smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1cccc(Nc2[nH+]cnc3[nH]ccc32)c1 ZINC000000021853 356946806 /nfs/dbraw/zinc/94/68/06/356946806.db2.gz BCLXVHJHHBULCV-UHFFFAOYSA-N 1 2 244.685 3.355 20 0 BGADLO C[NH+](C)c1ccc(NCc2ccccc2)cc1 ZINC000000570701 347032684 /nfs/dbraw/zinc/03/26/84/347032684.db2.gz JEMDGNCJRXVURH-UHFFFAOYSA-N 1 2 226.323 3.365 20 0 BGADLO Cc1ccc(NCc2cn3ccccc3[nH+]2)cc1 ZINC000000576821 356952778 /nfs/dbraw/zinc/95/27/78/356952778.db2.gz REKFZVPEQMOLQA-UHFFFAOYSA-N 1 2 237.306 3.255 20 0 BGADLO COc1ccccc1Cc1[nH]c2ccccc2[nH+]1 ZINC000001378561 175335163 /nfs/dbraw/zinc/33/51/63/175335163.db2.gz QIMKZCCXUIBJCE-UHFFFAOYSA-N 1 2 238.290 3.162 20 0 BGADLO c1cc2c(nc[nH+]c2SCc2ccccc2)[nH]1 ZINC000001674696 383921339 /nfs/dbraw/zinc/92/13/39/383921339.db2.gz SEBPANKEZPWZQP-UHFFFAOYSA-N 1 2 241.319 3.250 20 0 BGADLO CC(C)CSCCc1[nH]c2ccccc2[nH+]1 ZINC000003106312 356467341 /nfs/dbraw/zinc/46/73/41/356467341.db2.gz WPHMDMHYSTVELG-UHFFFAOYSA-N 1 2 234.368 3.495 20 0 BGADLO c1ccc(NCCC2=CCCCC2)[nH+]c1 ZINC000005605188 346629207 /nfs/dbraw/zinc/62/92/07/346629207.db2.gz ONWGVWSXORFCMK-UHFFFAOYSA-N 1 2 202.301 3.384 20 0 BGADLO CN(c1[nH+]c2ccccc2n1C)C1CCCCC1 ZINC000005988629 350204854 /nfs/dbraw/zinc/20/48/54/350204854.db2.gz PQBLCTYDRULYGJ-UHFFFAOYSA-N 1 2 243.354 3.342 20 0 BGADLO CCCCC(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000006856455 384168579 /nfs/dbraw/zinc/16/85/79/384168579.db2.gz ZRQZNMJYIHPECD-UHFFFAOYSA-N 1 2 245.326 3.010 20 0 BGADLO Cc1cccc2[nH+]c(CNc3ccccc3)cn21 ZINC000008415554 179230235 /nfs/dbraw/zinc/23/02/35/179230235.db2.gz FADDPNRFSBBQBG-UHFFFAOYSA-N 1 2 237.306 3.255 20 0 BGADLO Cc1ccccc1NCc1cn2ccccc2[nH+]1 ZINC000008416176 179305484 /nfs/dbraw/zinc/30/54/84/179305484.db2.gz ULNBQMWYHASCAR-UHFFFAOYSA-N 1 2 237.306 3.255 20 0 BGADLO Cc1ccc2[nH+]c(NCc3ccco3)[nH]c2c1 ZINC000008701130 370356727 /nfs/dbraw/zinc/35/67/27/370356727.db2.gz NSEARVYYUPEAPP-UHFFFAOYSA-N 1 2 227.267 3.076 20 0 BGADLO Cc1cc(NC(=O)c2ccccc2Cl)cc[nH+]1 ZINC000010163004 388379320 /nfs/dbraw/zinc/37/93/20/388379320.db2.gz NHLHTQPLIOOKJL-UHFFFAOYSA-N 1 2 246.697 3.296 20 0 BGADLO Cc1cc(NC(=O)c2ccc(Cl)cc2)cc[nH+]1 ZINC000010163036 386666476 /nfs/dbraw/zinc/66/64/76/386666476.db2.gz RHNMRASNQHTFNX-UHFFFAOYSA-N 1 2 246.697 3.296 20 0 BGADLO Cc1cc(C)cc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000010163134 386672564 /nfs/dbraw/zinc/67/25/64/386672564.db2.gz DIHSOKKOQIMFAO-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO CCc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000010163185 342718865 /nfs/dbraw/zinc/71/88/65/342718865.db2.gz JJIUJXXKCKJMBM-UHFFFAOYSA-N 1 2 240.306 3.205 20 0 BGADLO Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)c(C)c1 ZINC000010163190 385617845 /nfs/dbraw/zinc/61/78/45/385617845.db2.gz HDULOMODJKBIPU-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO Cc1cc(NC(=O)c2ccc(C)c(C)c2)cc[nH+]1 ZINC000010163247 385619282 /nfs/dbraw/zinc/61/92/82/385619282.db2.gz BLLPELBZCJWDHO-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO Clc1nc2ccccc2cc1Cn1cc[nH+]c1 ZINC000010809712 588863694 /nfs/dbraw/zinc/86/36/94/588863694.db2.gz DIWJLAZGKXPYQF-UHFFFAOYSA-N 1 2 243.697 3.133 20 0 BGADLO Cc1nc(Nc2ccccc2)c(C)c(C)[nH+]1 ZINC000012653149 589000673 /nfs/dbraw/zinc/00/06/73/589000673.db2.gz DMRYEVZWIGEQIU-UHFFFAOYSA-N 1 2 213.284 3.145 20 0 BGADLO Cc1nc(NCCc2ccc(C)[nH+]c2)sc1C ZINC000013234414 357882041 /nfs/dbraw/zinc/88/20/41/357882041.db2.gz MLYIMQJDRKFCKS-UHFFFAOYSA-N 1 2 247.367 3.118 20 0 BGADLO c1cc2c(nc[nH+]c2Sc2ccccc2)[nH]1 ZINC000013608572 384365917 /nfs/dbraw/zinc/36/59/17/384365917.db2.gz TUBUPSQEQADRHY-UHFFFAOYSA-N 1 2 227.292 3.109 20 0 in-vivo BGADLO Fc1ccc(Sc2[nH+]cnc3[nH]ccc32)cc1 ZINC000013608575 350652295 /nfs/dbraw/zinc/65/22/95/350652295.db2.gz WHRWMQBGUPTYQB-UHFFFAOYSA-N 1 2 245.282 3.248 20 0 BGADLO CCC[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000013726367 169205202 /nfs/dbraw/zinc/20/52/02/169205202.db2.gz WBSBKYLJICOUES-CYBMUJFWSA-N 1 2 239.746 3.123 20 0 BGADLO CCC[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000013726367 169205200 /nfs/dbraw/zinc/20/52/00/169205200.db2.gz WBSBKYLJICOUES-CYBMUJFWSA-N 1 2 239.746 3.123 20 0 BGADLO CCC[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000013726371 169205521 /nfs/dbraw/zinc/20/55/21/169205521.db2.gz WBSBKYLJICOUES-ZDUSSCGKSA-N 1 2 239.746 3.123 20 0 BGADLO CCC[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000013726371 169205519 /nfs/dbraw/zinc/20/55/19/169205519.db2.gz WBSBKYLJICOUES-ZDUSSCGKSA-N 1 2 239.746 3.123 20 0 BGADLO CCC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000013726377 169204295 /nfs/dbraw/zinc/20/42/95/169204295.db2.gz BHSWGNCHNWRXBG-CYBMUJFWSA-N 1 2 239.746 3.123 20 0 BGADLO CCC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000013726377 169204293 /nfs/dbraw/zinc/20/42/93/169204293.db2.gz BHSWGNCHNWRXBG-CYBMUJFWSA-N 1 2 239.746 3.123 20 0 BGADLO CCC[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000013726381 169204440 /nfs/dbraw/zinc/20/44/40/169204440.db2.gz BHSWGNCHNWRXBG-ZDUSSCGKSA-N 1 2 239.746 3.123 20 0 BGADLO CCC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000013726381 169204438 /nfs/dbraw/zinc/20/44/38/169204438.db2.gz BHSWGNCHNWRXBG-ZDUSSCGKSA-N 1 2 239.746 3.123 20 0 BGADLO c1c(CSc2ccccn2)[nH+]c2ccccn12 ZINC000014067323 398145540 /nfs/dbraw/zinc/14/55/40/398145540.db2.gz MBCABKWTXXXOMH-UHFFFAOYSA-N 1 2 241.319 3.022 20 0 BGADLO CC(C)CNc1ccc2ccccc2[nH+]1 ZINC000019230873 167016392 /nfs/dbraw/zinc/01/63/92/167016392.db2.gz PUABDCPWRNRLQN-UHFFFAOYSA-N 1 2 200.285 3.303 20 0 BGADLO Clc1ccccc1OCCNc1cccc[nH+]1 ZINC000019776990 343255466 /nfs/dbraw/zinc/25/54/66/343255466.db2.gz GXIVEQNSCMZQAM-UHFFFAOYSA-N 1 2 248.713 3.226 20 0 BGADLO Clc1ccc(OCCNc2cccc[nH+]2)cc1 ZINC000019776991 343256202 /nfs/dbraw/zinc/25/62/02/343256202.db2.gz FWMSMJYHDQJKSE-UHFFFAOYSA-N 1 2 248.713 3.226 20 0 BGADLO C(=C/c1ccccc1)\CNc1cccc[nH+]1 ZINC000019777067 385313689 /nfs/dbraw/zinc/31/36/89/385313689.db2.gz SITQVTHKHAHXTJ-RMKNXTFCSA-N 1 2 210.280 3.207 20 0 BGADLO Fc1ccc(OCCCNc2cccc[nH+]2)cc1 ZINC000019777083 356485104 /nfs/dbraw/zinc/48/51/04/356485104.db2.gz PHHMIALMYUXDQO-UHFFFAOYSA-N 1 2 246.285 3.102 20 0 BGADLO CCOc1cccc(CNc2cccc[nH+]2)c1 ZINC000019777108 356484787 /nfs/dbraw/zinc/48/47/87/356484787.db2.gz REPMUTXYTPVAEG-UHFFFAOYSA-N 1 2 228.295 3.092 20 0 BGADLO Cc1cc(C)cc(OCCNc2cccc[nH+]2)c1 ZINC000019777294 356484826 /nfs/dbraw/zinc/48/48/26/356484826.db2.gz IANHPGPQTXMAKJ-UHFFFAOYSA-N 1 2 242.322 3.189 20 0 BGADLO Cc1cccc(C)c1OCCNc1cccc[nH+]1 ZINC000019777295 179045982 /nfs/dbraw/zinc/04/59/82/179045982.db2.gz XOJSYQLDYKCXEB-UHFFFAOYSA-N 1 2 242.322 3.189 20 0 BGADLO Cc1ccc(OCCNc2cccc[nH+]2)c(C)c1 ZINC000019777299 259382158 /nfs/dbraw/zinc/38/21/58/259382158.db2.gz QPLDPRVFKNHETG-UHFFFAOYSA-N 1 2 242.322 3.189 20 0 BGADLO Cc1ccc(OCCCNc2cccc[nH+]2)cc1 ZINC000019777302 187370993 /nfs/dbraw/zinc/37/09/93/187370993.db2.gz FKFBRUMXJQPAMN-UHFFFAOYSA-N 1 2 242.322 3.271 20 0 BGADLO Cc1ccccc1OCCCNc1cccc[nH+]1 ZINC000019777303 179309605 /nfs/dbraw/zinc/30/96/05/179309605.db2.gz MXESETZVTVGEQL-UHFFFAOYSA-N 1 2 242.322 3.271 20 0 BGADLO Cc1cccc(OCCCNc2cccc[nH+]2)c1 ZINC000019777304 589978087 /nfs/dbraw/zinc/97/80/87/589978087.db2.gz YNGXTRHDLOTHKQ-UHFFFAOYSA-N 1 2 242.322 3.271 20 0 BGADLO CCOc1ccc([NH2+][C@@H](C)C2CC2)cc1 ZINC000019902295 342962061 /nfs/dbraw/zinc/96/20/61/342962061.db2.gz NPEJJOFXWHIMDK-JTQLQIEISA-N 1 2 205.301 3.296 20 0 BGADLO CCOc1ccc([NH2+][C@H](C)C2CC2)cc1 ZINC000019902296 342962065 /nfs/dbraw/zinc/96/20/65/342962065.db2.gz NPEJJOFXWHIMDK-SNVBAGLBSA-N 1 2 205.301 3.296 20 0 BGADLO COc1ccc([NH2+]C2CCCC2)c(OC)c1 ZINC000019903337 175149696 /nfs/dbraw/zinc/14/96/96/175149696.db2.gz OVGLDUMVMIBRCS-UHFFFAOYSA-N 1 2 221.300 3.058 20 0 BGADLO CCC(CC)[NH2+]c1ccc(OC)cc1OC ZINC000019903410 168394429 /nfs/dbraw/zinc/39/44/29/168394429.db2.gz MYCZVVKXDGZXEW-UHFFFAOYSA-N 1 2 223.316 3.304 20 0 BGADLO COc1ccc([NH2+][C@@H](C)C(C)C)c(OC)c1 ZINC000019903429 175153246 /nfs/dbraw/zinc/15/32/46/175153246.db2.gz SEQRESAHFZBREG-JTQLQIEISA-N 1 2 223.316 3.160 20 0 BGADLO COc1ccc([NH2+][C@H](C)C(C)C)c(OC)c1 ZINC000019903430 175154872 /nfs/dbraw/zinc/15/48/72/175154872.db2.gz SEQRESAHFZBREG-SNVBAGLBSA-N 1 2 223.316 3.160 20 0 BGADLO COc1ccc([NH2+]C2CCCCC2)c(OC)c1 ZINC000019903477 175149798 /nfs/dbraw/zinc/14/97/98/175149798.db2.gz MWAWFELNLVVMHH-UHFFFAOYSA-N 1 2 235.327 3.448 20 0 BGADLO CCC[C@@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000019903480 169372433 /nfs/dbraw/zinc/37/24/33/169372433.db2.gz ARHKGCUSRCWGEA-SNVBAGLBSA-N 1 2 223.316 3.304 20 0 BGADLO CCC[C@H](C)[NH2+]c1ccc(OC)cc1OC ZINC000019903481 584223173 /nfs/dbraw/zinc/22/31/73/584223173.db2.gz ARHKGCUSRCWGEA-JTQLQIEISA-N 1 2 223.316 3.304 20 0 BGADLO COc1cc(OC)c([NH2+]CC(C)C)cc1Cl ZINC000019910846 175007322 /nfs/dbraw/zinc/00/73/22/175007322.db2.gz BATXRKNPCRDJQE-UHFFFAOYSA-N 1 2 243.734 3.425 20 0 BGADLO CCC(CC)C[NH2+]c1ccc2c(c1)OCCO2 ZINC000019916073 168365985 /nfs/dbraw/zinc/36/59/85/168365985.db2.gz QGEPNHFEGWSUFM-UHFFFAOYSA-N 1 2 235.327 3.306 20 0 BGADLO c1cc2c(cc1[NH2+]CC1CCCCC1)OCCO2 ZINC000019916075 183369065 /nfs/dbraw/zinc/36/90/65/183369065.db2.gz DXWVJHCCBPLGMA-UHFFFAOYSA-N 1 2 247.338 3.450 20 0 BGADLO C[C@H]([NH2+]CCc1cccs1)c1ccccn1 ZINC000019948859 384563723 /nfs/dbraw/zinc/56/37/23/384563723.db2.gz LQKSFSYMEIVZHI-NSHDSACASA-N 1 2 232.352 3.036 20 0 BGADLO C[C@@H]([NH2+]Cc1ccccn1)c1c(F)cccc1F ZINC000019957299 356995376 /nfs/dbraw/zinc/99/53/76/356995376.db2.gz NLHSMBNLMBXPJG-SNVBAGLBSA-N 1 2 248.276 3.211 20 0 BGADLO C[C@H]([NH2+]Cc1ccccn1)c1c(F)cccc1F ZINC000019957304 176878723 /nfs/dbraw/zinc/87/87/23/176878723.db2.gz NLHSMBNLMBXPJG-JTQLQIEISA-N 1 2 248.276 3.211 20 0 BGADLO c1ccc2[nH+]c(NCc3cccnc3)ccc2c1 ZINC000019982760 386788327 /nfs/dbraw/zinc/78/83/27/386788327.db2.gz RRSKEKHTDQTOLR-UHFFFAOYSA-N 1 2 235.290 3.242 20 0 BGADLO COc1c(C)c[nH+]c(CNc2ccccc2)c1C ZINC000020035910 583612256 /nfs/dbraw/zinc/61/22/56/583612256.db2.gz HYFUSGQEVMJRCK-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Fc1ccccc1NCc1cn2ccccc2[nH+]1 ZINC000020052484 181014523 /nfs/dbraw/zinc/01/45/23/181014523.db2.gz KWEOVQOESBTHNR-UHFFFAOYSA-N 1 2 241.269 3.086 20 0 BGADLO Cc1nc([C@@H](C)[NH2+]Cc2ccco2)c(C)s1 ZINC000020084145 180037248 /nfs/dbraw/zinc/03/72/48/180037248.db2.gz BLJZECKHQIWVAU-MRVPVSSYSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1nc([C@H](C)[NH2+]Cc2ccco2)c(C)s1 ZINC000020084147 180051028 /nfs/dbraw/zinc/05/10/28/180051028.db2.gz BLJZECKHQIWVAU-QMMMGPOBSA-N 1 2 236.340 3.204 20 0 BGADLO COc1ccc([NH2+]C[C@H]2CC=CCC2)c(OC)c1 ZINC000020087242 643310680 /nfs/dbraw/zinc/31/06/80/643310680.db2.gz TWWPEEDIBZWXRF-LBPRGKRZSA-N 1 2 247.338 3.472 20 0 BGADLO COc1ccc([NH2+]C[C@@H]2CC=CCC2)c(OC)c1 ZINC000020087244 633807898 /nfs/dbraw/zinc/80/78/98/633807898.db2.gz TWWPEEDIBZWXRF-GFCCVEGCSA-N 1 2 247.338 3.472 20 0 BGADLO CC[C@@H](C)C[NH2+]c1ccc(OC)cc1OC ZINC000020087256 590072698 /nfs/dbraw/zinc/07/26/98/590072698.db2.gz XRPBORKRWFDQJE-SNVBAGLBSA-N 1 2 223.316 3.162 20 0 BGADLO CC[C@H](C)C[NH2+]c1ccc(OC)cc1OC ZINC000020087258 590073372 /nfs/dbraw/zinc/07/33/72/590073372.db2.gz XRPBORKRWFDQJE-JTQLQIEISA-N 1 2 223.316 3.162 20 0 BGADLO CC[C@@H](C)C[NH2+]c1ccc2c(c1)OCCCO2 ZINC000020087940 590073183 /nfs/dbraw/zinc/07/31/83/590073183.db2.gz ZTRBLTIILUMADN-LLVKDONJSA-N 1 2 235.327 3.306 20 0 BGADLO CC[C@H](C)C[NH2+]c1ccc2c(c1)OCCCO2 ZINC000020087942 171288089 /nfs/dbraw/zinc/28/80/89/171288089.db2.gz ZTRBLTIILUMADN-NSHDSACASA-N 1 2 235.327 3.306 20 0 BGADLO CC[C@@H](C)C[NH2+]c1ccc(OC)c(OC)c1 ZINC000020088383 342968952 /nfs/dbraw/zinc/96/89/52/342968952.db2.gz XIAAYHRCNUPREQ-SNVBAGLBSA-N 1 2 223.316 3.162 20 0 BGADLO CC[C@H](C)C[NH2+]c1ccc(OC)c(OC)c1 ZINC000020088385 171288304 /nfs/dbraw/zinc/28/83/04/171288304.db2.gz XIAAYHRCNUPREQ-JTQLQIEISA-N 1 2 223.316 3.162 20 0 BGADLO CC(C)C[NH2+]c1ccc(OC(F)F)cc1 ZINC000020096042 167016081 /nfs/dbraw/zinc/01/60/81/167016081.db2.gz AQDMZTVFHUGLBO-UHFFFAOYSA-N 1 2 215.243 3.356 20 0 BGADLO C[C@@H]([NH2+]c1ccc(OC(F)F)cc1)C1CC1 ZINC000020096114 590074104 /nfs/dbraw/zinc/07/41/04/590074104.db2.gz ROJBXIKOGUUDIH-MRVPVSSYSA-N 1 2 227.254 3.498 20 0 BGADLO C[C@H]([NH2+]c1ccc(OC(F)F)cc1)C1CC1 ZINC000020096116 590073946 /nfs/dbraw/zinc/07/39/46/590073946.db2.gz ROJBXIKOGUUDIH-QMMMGPOBSA-N 1 2 227.254 3.498 20 0 BGADLO CC(C)[NH2+]c1ccc(OC(F)F)cc1 ZINC000020096148 590072427 /nfs/dbraw/zinc/07/24/27/590072427.db2.gz PCFFICHFGGODGF-UHFFFAOYSA-N 1 2 201.216 3.108 20 0 BGADLO C[C@@H]([NH2+]Cc1c(F)cccc1F)c1ccccn1 ZINC000020123227 397890743 /nfs/dbraw/zinc/89/07/43/397890743.db2.gz KBZFPFGIQBVJRP-SNVBAGLBSA-N 1 2 248.276 3.211 20 0 BGADLO C[C@H]([NH2+]Cc1c(F)cccc1F)c1ccccn1 ZINC000020123228 397890813 /nfs/dbraw/zinc/89/08/13/397890813.db2.gz KBZFPFGIQBVJRP-JTQLQIEISA-N 1 2 248.276 3.211 20 0 BGADLO CCC(CC)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000020143810 535082353 /nfs/dbraw/zinc/08/23/53/535082353.db2.gz LZGDOKRDKXABRE-UHFFFAOYSA-N 1 2 248.370 3.124 20 0 BGADLO CCC[C@@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000020143848 590078258 /nfs/dbraw/zinc/07/82/58/590078258.db2.gz GWUHLLXHIUUGDR-CYBMUJFWSA-N 1 2 248.370 3.124 20 0 BGADLO CCC[C@H](C)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000020143850 590078551 /nfs/dbraw/zinc/07/85/51/590078551.db2.gz GWUHLLXHIUUGDR-ZDUSSCGKSA-N 1 2 248.370 3.124 20 0 BGADLO Cc1nc(C[NH2+][C@@H]2CCCc3occc32)cs1 ZINC000020253440 187591293 /nfs/dbraw/zinc/59/12/93/187591293.db2.gz GSQRYQWINZEVEY-GFCCVEGCSA-N 1 2 248.351 3.212 20 0 BGADLO Cc1nc(C[NH2+][C@H]2CCCc3occc32)cs1 ZINC000020253441 342979072 /nfs/dbraw/zinc/97/90/72/342979072.db2.gz GSQRYQWINZEVEY-LBPRGKRZSA-N 1 2 248.351 3.212 20 0 BGADLO C[C@@H]([NH2+]CC(F)(F)C(F)F)c1ccccc1 ZINC000020518407 590117618 /nfs/dbraw/zinc/11/76/18/590117618.db2.gz KQHWMUQXFKTMLP-MRVPVSSYSA-N 1 2 235.224 3.238 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)C(F)F)c1ccccc1 ZINC000020518408 590117480 /nfs/dbraw/zinc/11/74/80/590117480.db2.gz KQHWMUQXFKTMLP-QMMMGPOBSA-N 1 2 235.224 3.238 20 0 BGADLO CCOCCCNc1ccc2ccccc2[nH+]1 ZINC000020554812 170383685 /nfs/dbraw/zinc/38/36/85/170383685.db2.gz LNGSJOSARMDSIV-UHFFFAOYSA-N 1 2 230.311 3.073 20 0 BGADLO C[C@@H]1CCC[C@@H](Nc2cccc[nH+]2)[C@@H]1C ZINC000020558509 176124447 /nfs/dbraw/zinc/12/44/47/176124447.db2.gz SNRFBBUZLUCNOB-IJLUTSLNSA-N 1 2 204.317 3.318 20 0 BGADLO C[C@@H]1CCC[C@H](Nc2cccc[nH+]2)[C@@H]1C ZINC000020558513 176144943 /nfs/dbraw/zinc/14/49/43/176144943.db2.gz SNRFBBUZLUCNOB-UTUOFQBUSA-N 1 2 204.317 3.318 20 0 BGADLO c1coc(CNc2ccc3ccccc3[nH+]2)c1 ZINC000021033711 356493214 /nfs/dbraw/zinc/49/32/14/356493214.db2.gz BOOSBCNLFHOYKW-UHFFFAOYSA-N 1 2 224.263 3.440 20 0 BGADLO CN(CCCNc1cccc[nH+]1)c1ccccc1 ZINC000021060237 343487924 /nfs/dbraw/zinc/48/79/24/343487924.db2.gz ZCMBFUQVLOTPAO-UHFFFAOYSA-N 1 2 241.338 3.020 20 0 BGADLO CCCCNc1ccc2ccccc2[nH+]1 ZINC000021519769 168879115 /nfs/dbraw/zinc/87/91/15/168879115.db2.gz OECWVHLMORFOCL-UHFFFAOYSA-N 1 2 200.285 3.447 20 0 BGADLO CC[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000021792714 350019209 /nfs/dbraw/zinc/01/92/09/350019209.db2.gz XJHFOHPLVXEAJK-SNVBAGLBSA-N 1 2 200.285 3.445 20 0 BGADLO CC[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000021792718 171350663 /nfs/dbraw/zinc/35/06/63/171350663.db2.gz XJHFOHPLVXEAJK-JTQLQIEISA-N 1 2 200.285 3.445 20 0 BGADLO c1ccc(CCNc2ccc3ccccc3[nH+]2)nc1 ZINC000021795897 183394841 /nfs/dbraw/zinc/39/48/41/183394841.db2.gz RGOCDHKUMNUVDT-UHFFFAOYSA-N 1 2 249.317 3.284 20 0 BGADLO C[C@@H]([NH2+]Cc1ccco1)c1c(F)cccc1F ZINC000021961993 347354793 /nfs/dbraw/zinc/35/47/93/347354793.db2.gz RYUGDAAWHLCTGI-SECBINFHSA-N 1 2 237.249 3.409 20 0 BGADLO C[C@H]([NH2+]Cc1ccco1)c1c(F)cccc1F ZINC000021961997 385307292 /nfs/dbraw/zinc/30/72/92/385307292.db2.gz RYUGDAAWHLCTGI-VIFPVBQESA-N 1 2 237.249 3.409 20 0 BGADLO Cc1cc(N)nc(S[C@H](C)c2ccccc2)[nH+]1 ZINC000022133189 178109583 /nfs/dbraw/zinc/10/95/83/178109583.db2.gz RWCODAXWJRNXFE-SNVBAGLBSA-N 1 2 245.351 3.221 20 0 BGADLO Cc1cc(N)nc(S[C@@H](C)c2ccccc2)[nH+]1 ZINC000022133190 178110205 /nfs/dbraw/zinc/11/02/05/178110205.db2.gz RWCODAXWJRNXFE-JTQLQIEISA-N 1 2 245.351 3.221 20 0 BGADLO Cc1c2cc3c(cc2[nH+]c2c1CCCC2)OCO3 ZINC000022463278 371544026 /nfs/dbraw/zinc/54/40/26/371544026.db2.gz MIRDCZVZPRHDQC-UHFFFAOYSA-N 1 2 241.290 3.151 20 0 BGADLO COc1ccccc1C[NH2+][C@@H](C)c1cscn1 ZINC000022864589 175329796 /nfs/dbraw/zinc/32/97/96/175329796.db2.gz NHGDUKURTKMODI-JTQLQIEISA-N 1 2 248.351 3.003 20 0 BGADLO COc1ccccc1C[NH2+][C@H](C)c1cscn1 ZINC000022864594 175330994 /nfs/dbraw/zinc/33/09/94/175330994.db2.gz NHGDUKURTKMODI-SNVBAGLBSA-N 1 2 248.351 3.003 20 0 BGADLO c1ccc2[nH+]c(N3CCc4ccccc4C3)[nH]c2c1 ZINC000026440260 387025609 /nfs/dbraw/zinc/02/56/09/387025609.db2.gz IZMMNYOCEHWHMF-UHFFFAOYSA-N 1 2 249.317 3.126 20 0 BGADLO CC[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000027864199 170025703 /nfs/dbraw/zinc/02/57/03/170025703.db2.gz LDAIRIWUAAWPQN-UHFFFAOYSA-N 1 2 230.138 3.371 20 0 BGADLO CC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000027864199 170025701 /nfs/dbraw/zinc/02/57/01/170025701.db2.gz LDAIRIWUAAWPQN-UHFFFAOYSA-N 1 2 230.138 3.371 20 0 BGADLO Cc1nc2[nH]ccc2c(NC2CCCCC2)[nH+]1 ZINC000027904189 180016106 /nfs/dbraw/zinc/01/61/06/180016106.db2.gz IFJZMJOWAWKSCE-UHFFFAOYSA-N 1 2 230.315 3.011 20 0 BGADLO CCCCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000027991439 358442266 /nfs/dbraw/zinc/44/22/66/358442266.db2.gz SUYSAPOJIVZUOK-UHFFFAOYSA-N 1 2 231.299 3.000 20 0 BGADLO c1cn(CCc2ccc3ccccc3c2)c[nH+]1 ZINC000029342417 385262317 /nfs/dbraw/zinc/26/23/17/385262317.db2.gz FYMXVELUTWDCQO-UHFFFAOYSA-N 1 2 222.291 3.279 20 0 BGADLO CCC(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000029871484 387358778 /nfs/dbraw/zinc/35/87/78/387358778.db2.gz PHVKXEGQVMYYNP-UHFFFAOYSA-N 1 2 245.326 3.209 20 0 BGADLO CCCCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000029910024 368244958 /nfs/dbraw/zinc/24/49/58/368244958.db2.gz DGCHBDDPRINDJF-UHFFFAOYSA-N 1 2 243.310 3.001 20 0 BGADLO CCCC[NH2+]c1ccc(N2CCCC2)cc1 ZINC000032013357 640475080 /nfs/dbraw/zinc/47/50/80/640475080.db2.gz OWJFXSNYCJCACC-UHFFFAOYSA-N 1 2 218.344 3.499 20 0 BGADLO CCCCNc1ccc([NH+]2CCCC2)cc1 ZINC000032013357 640475075 /nfs/dbraw/zinc/47/50/75/640475075.db2.gz OWJFXSNYCJCACC-UHFFFAOYSA-N 1 2 218.344 3.499 20 0 BGADLO C[NH+](C)c1ccc(NCc2cccc(O)c2)cc1 ZINC000032100248 711826165 /nfs/dbraw/zinc/82/61/65/711826165.db2.gz KLJZGQNWTOHARC-UHFFFAOYSA-N 1 2 242.322 3.070 20 0 BGADLO c1coc(CNc2ccc([NH+]3CCCC3)cc2)c1 ZINC000032100250 343229577 /nfs/dbraw/zinc/22/95/77/343229577.db2.gz NFUOHBHPXGRQEV-UHFFFAOYSA-N 1 2 242.322 3.492 20 0 BGADLO Fc1cccc(Cl)c1C[NH+]1CCSCC1 ZINC000032188406 351962068 /nfs/dbraw/zinc/96/20/68/351962068.db2.gz SBEVXXSEOQYNSA-UHFFFAOYSA-N 1 2 245.750 3.028 20 0 BGADLO Cc1cc(Nc2ccc(C)c(C)c2)nc(C)[nH+]1 ZINC000032255000 368256278 /nfs/dbraw/zinc/25/62/78/368256278.db2.gz LDSXXBWVDFVHPP-UHFFFAOYSA-N 1 2 227.311 3.454 20 0 BGADLO Clc1ccc(CCCn2cc[nH+]c2)cc1 ZINC000034062233 180578921 /nfs/dbraw/zinc/57/89/21/180578921.db2.gz CLJJKXWBLJQDDT-UHFFFAOYSA-N 1 2 220.703 3.169 20 0 in-vivo BGADLO CC[N@@H+](CCCCCCO)c1ccccc1 ZINC000034410774 385278074 /nfs/dbraw/zinc/27/80/74/385278074.db2.gz LIDHWGMXXKSFNT-UHFFFAOYSA-N 1 2 221.344 3.066 20 0 BGADLO CC[N@H+](CCCCCCO)c1ccccc1 ZINC000034410774 385278068 /nfs/dbraw/zinc/27/80/68/385278068.db2.gz LIDHWGMXXKSFNT-UHFFFAOYSA-N 1 2 221.344 3.066 20 0 BGADLO CC(C)c1ccc(OCc2ccc[nH+]c2N)cc1 ZINC000034439694 346283921 /nfs/dbraw/zinc/28/39/21/346283921.db2.gz IQCRZEOZVMBNHP-UHFFFAOYSA-N 1 2 242.322 3.366 20 0 BGADLO C[C@H](Nc1cccc[nH+]1)C1CCCCC1 ZINC000034451352 342881459 /nfs/dbraw/zinc/88/14/59/342881459.db2.gz IRCOEUBWLSRHKE-NSHDSACASA-N 1 2 204.317 3.462 20 0 BGADLO FC(F)(F)c1cc[nH+]c(N2CCCCC2)c1 ZINC000034511030 355903380 /nfs/dbraw/zinc/90/33/80/355903380.db2.gz JTBLXSFBLWJCTD-UHFFFAOYSA-N 1 2 230.233 3.091 20 0 BGADLO c1[nH]c2ccccc2c1CCNc1cccc[nH+]1 ZINC000034522018 387123035 /nfs/dbraw/zinc/12/30/35/387123035.db2.gz GDCSFWTWFVNNGG-UHFFFAOYSA-N 1 2 237.306 3.218 20 0 BGADLO c1ccc(C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000034584158 368264860 /nfs/dbraw/zinc/26/48/60/368264860.db2.gz ISYUQKUDWRHSCO-UHFFFAOYSA-N 1 2 238.334 3.466 20 0 BGADLO c1ccc2[nH+]c(NCC3CCC3)ccc2c1 ZINC000034653191 384286471 /nfs/dbraw/zinc/28/64/71/384286471.db2.gz VLCUDTCXQIGHED-UHFFFAOYSA-N 1 2 212.296 3.447 20 0 BGADLO CC(C)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000034937790 343281576 /nfs/dbraw/zinc/28/15/76/343281576.db2.gz MZMXXOKICKGKKU-UHFFFAOYSA-N 1 2 229.327 3.156 20 0 BGADLO CC(C)c1cccc(NCc2[nH+]ccn2C)c1 ZINC000034937831 343281549 /nfs/dbraw/zinc/28/15/49/343281549.db2.gz FFUFBCNWYSHEBT-UHFFFAOYSA-N 1 2 229.327 3.156 20 0 BGADLO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)c1ccccc1F ZINC000034989116 177115534 /nfs/dbraw/zinc/11/55/34/177115534.db2.gz RFOJYSWGNIQOFM-TXEJJXNPSA-N 1 2 249.329 3.271 20 0 BGADLO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)c1ccccc1F ZINC000034989116 177115532 /nfs/dbraw/zinc/11/55/32/177115532.db2.gz RFOJYSWGNIQOFM-TXEJJXNPSA-N 1 2 249.329 3.271 20 0 BGADLO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)c1ccccc1F ZINC000034989118 177131236 /nfs/dbraw/zinc/13/12/36/177131236.db2.gz RFOJYSWGNIQOFM-RYUDHWBXSA-N 1 2 249.329 3.271 20 0 BGADLO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)c1ccccc1F ZINC000034989120 176115449 /nfs/dbraw/zinc/11/54/49/176115449.db2.gz RFOJYSWGNIQOFM-VXGBXAGGSA-N 1 2 249.329 3.271 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]Cc2csc(C)n2)o1 ZINC000035013489 383825355 /nfs/dbraw/zinc/82/53/55/383825355.db2.gz GNYBFMACZINAIA-SECBINFHSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]Cc2csc(C)n2)o1 ZINC000035013491 387035604 /nfs/dbraw/zinc/03/56/04/387035604.db2.gz GNYBFMACZINAIA-VIFPVBQESA-N 1 2 236.340 3.204 20 0 BGADLO CC(C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000035036703 167147444 /nfs/dbraw/zinc/14/74/44/167147444.db2.gz IGHPJVHWSZKZGO-UHFFFAOYSA-N 1 2 204.317 3.107 20 0 BGADLO CC(C)[NH2+]c1ccc(N2CCCC2)cc1 ZINC000035036703 167147442 /nfs/dbraw/zinc/14/74/42/167147442.db2.gz IGHPJVHWSZKZGO-UHFFFAOYSA-N 1 2 204.317 3.107 20 0 BGADLO Cc1cc(N2CCCC2)ccc1[NH2+]C(C)C ZINC000035037253 323395985 /nfs/dbraw/zinc/39/59/85/323395985.db2.gz SLRHRWSVTWOJKI-UHFFFAOYSA-N 1 2 218.344 3.416 20 0 BGADLO c1cn(-c2ccc(CNc3ccccc3)cc2)c[nH+]1 ZINC000035038447 322822947 /nfs/dbraw/zinc/82/29/47/322822947.db2.gz DIHCPJNCOUDTMC-UHFFFAOYSA-N 1 2 249.317 3.484 20 0 BGADLO CC[N@@H+](CCCO)c1cccc2ccccc21 ZINC000035114194 384012687 /nfs/dbraw/zinc/01/26/87/384012687.db2.gz HPBPGDFGPJJXHG-UHFFFAOYSA-N 1 2 229.323 3.049 20 0 BGADLO CC[N@H+](CCCO)c1cccc2ccccc21 ZINC000035114194 384012683 /nfs/dbraw/zinc/01/26/83/384012683.db2.gz HPBPGDFGPJJXHG-UHFFFAOYSA-N 1 2 229.323 3.049 20 0 BGADLO CCOc1ccc([NH2+]C2CCSCC2)cc1 ZINC000035120924 343285273 /nfs/dbraw/zinc/28/52/73/343285273.db2.gz CFJNBTQXFFIHAF-UHFFFAOYSA-N 1 2 237.368 3.393 20 0 BGADLO Cc1cc(NCc2ccco2)nc(C(C)C)[nH+]1 ZINC000035121199 178175413 /nfs/dbraw/zinc/17/54/13/178175413.db2.gz BGGRIGJFBPLIDA-UHFFFAOYSA-N 1 2 231.299 3.114 20 0 BGADLO CC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000035121207 342882677 /nfs/dbraw/zinc/88/26/77/342882677.db2.gz FSDNVIKJZPUJCB-SECBINFHSA-N 1 2 207.321 3.119 20 0 BGADLO CC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000035121208 171349471 /nfs/dbraw/zinc/34/94/71/171349471.db2.gz FSDNVIKJZPUJCB-VIFPVBQESA-N 1 2 207.321 3.119 20 0 BGADLO CCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000035121238 384396651 /nfs/dbraw/zinc/39/66/51/384396651.db2.gz FEGLXWFIYREMEO-UHFFFAOYSA-N 1 2 207.321 3.120 20 0 BGADLO Cc1cc(NCCC(C)C)nc(C(C)C)[nH+]1 ZINC000035121257 178158340 /nfs/dbraw/zinc/15/83/40/178158340.db2.gz NBMVNYXAHZIYRK-UHFFFAOYSA-N 1 2 221.348 3.366 20 0 BGADLO Cc1cc(NC2CCCC2)nc(C(C)C)[nH+]1 ZINC000035121282 178154589 /nfs/dbraw/zinc/15/45/89/178154589.db2.gz KVNXILIFQRASNL-UHFFFAOYSA-N 1 2 219.332 3.263 20 0 BGADLO C[C@H](Nc1ccc2ccccc2[nH+]1)C1CC1 ZINC000035135059 358453931 /nfs/dbraw/zinc/45/39/31/358453931.db2.gz RGSBMXJCSBBVPQ-JTQLQIEISA-N 1 2 212.296 3.445 20 0 BGADLO C[C@@H](Nc1ccc2ccccc2[nH+]1)C1CC1 ZINC000035135060 358454061 /nfs/dbraw/zinc/45/40/61/358454061.db2.gz RGSBMXJCSBBVPQ-SNVBAGLBSA-N 1 2 212.296 3.445 20 0 BGADLO Cc1cc(N[C@@H](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000035135079 358454190 /nfs/dbraw/zinc/45/41/90/358454190.db2.gz WXZSEPIWWNJNNZ-JTQLQIEISA-N 1 2 219.332 3.119 20 0 BGADLO Cc1cc(N[C@H](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000035135080 178184265 /nfs/dbraw/zinc/18/42/65/178184265.db2.gz WXZSEPIWWNJNNZ-SNVBAGLBSA-N 1 2 219.332 3.119 20 0 BGADLO Cc1cc(N[C@@H](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000035234416 356704410 /nfs/dbraw/zinc/70/44/10/356704410.db2.gz CYHGJMLXYQTBMM-NSHDSACASA-N 1 2 221.348 3.365 20 0 BGADLO Cc1cc(N[C@H](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000035234417 178184529 /nfs/dbraw/zinc/18/45/29/178184529.db2.gz CYHGJMLXYQTBMM-LLVKDONJSA-N 1 2 221.348 3.365 20 0 BGADLO Cc1cc(NCC2CCC2)nc(C(C)C)[nH+]1 ZINC000035234455 178158418 /nfs/dbraw/zinc/15/84/18/178158418.db2.gz DKCREPWFMFWEQZ-UHFFFAOYSA-N 1 2 219.332 3.120 20 0 BGADLO CC[N@@H+](CCCCO)c1cccc2ccccc21 ZINC000035649681 342753953 /nfs/dbraw/zinc/75/39/53/342753953.db2.gz FCHICUMELKKOIZ-UHFFFAOYSA-N 1 2 243.350 3.439 20 0 BGADLO CC[N@H+](CCCCO)c1cccc2ccccc21 ZINC000035649681 342753952 /nfs/dbraw/zinc/75/39/52/342753952.db2.gz FCHICUMELKKOIZ-UHFFFAOYSA-N 1 2 243.350 3.439 20 0 BGADLO COc1ccc([NH2+]C2CCSCC2)cc1 ZINC000035651967 175150053 /nfs/dbraw/zinc/15/00/53/175150053.db2.gz HTDDWXMHHZTSQO-UHFFFAOYSA-N 1 2 223.341 3.003 20 0 BGADLO Clc1cc(Cl)cc(Cn2cc[nH+]c2)c1 ZINC000036322901 343315146 /nfs/dbraw/zinc/31/51/46/343315146.db2.gz RNVCIUBPHQDEID-UHFFFAOYSA-N 1 2 227.094 3.238 20 0 in-vivo BGADLO Cc1cc2[nH+]cn(CC(=O)C(C)(C)C)c2cc1C ZINC000036324873 387584296 /nfs/dbraw/zinc/58/42/96/387584296.db2.gz SDCRVKGVZOTBTD-UHFFFAOYSA-N 1 2 244.338 3.268 20 0 BGADLO CC[C@@H](C)CNc1ccc([NH+](C)C)cc1 ZINC000036335153 343315816 /nfs/dbraw/zinc/31/58/16/343315816.db2.gz HFUKDWNBEZITFF-LLVKDONJSA-N 1 2 206.333 3.211 20 0 BGADLO CC[C@H](C)CNc1ccc([NH+](C)C)cc1 ZINC000036335154 171287703 /nfs/dbraw/zinc/28/77/03/171287703.db2.gz HFUKDWNBEZITFF-NSHDSACASA-N 1 2 206.333 3.211 20 0 BGADLO C[NH+](C)c1ccc(NC2CCCC2)cc1 ZINC000036335231 343316101 /nfs/dbraw/zinc/31/61/01/343316101.db2.gz UMTWAAJACALFLW-UHFFFAOYSA-N 1 2 204.317 3.107 20 0 BGADLO CN(C)c1ccc([NH2+]C2CCCC2)cc1 ZINC000036335231 343316099 /nfs/dbraw/zinc/31/60/99/343316099.db2.gz UMTWAAJACALFLW-UHFFFAOYSA-N 1 2 204.317 3.107 20 0 BGADLO CN(C)c1ccc([NH2+]C2CCCCC2)cc1 ZINC000036335345 640502058 /nfs/dbraw/zinc/50/20/58/640502058.db2.gz FHCUWIGTJZLIPK-UHFFFAOYSA-N 1 2 218.344 3.497 20 0 BGADLO CCC[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000036335363 169371904 /nfs/dbraw/zinc/37/19/04/169371904.db2.gz NPQJKDQZWYQRJM-LLVKDONJSA-N 1 2 206.333 3.353 20 0 BGADLO CCC[C@@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000036335363 169371903 /nfs/dbraw/zinc/37/19/03/169371903.db2.gz NPQJKDQZWYQRJM-LLVKDONJSA-N 1 2 206.333 3.353 20 0 BGADLO CCC[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000036335364 383899377 /nfs/dbraw/zinc/89/93/77/383899377.db2.gz NPQJKDQZWYQRJM-NSHDSACASA-N 1 2 206.333 3.353 20 0 BGADLO CCC[C@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000036335364 383899370 /nfs/dbraw/zinc/89/93/70/383899370.db2.gz NPQJKDQZWYQRJM-NSHDSACASA-N 1 2 206.333 3.353 20 0 BGADLO CC(C)[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000036335382 167385785 /nfs/dbraw/zinc/38/57/85/167385785.db2.gz UQYAGVAEBHUMDM-LLVKDONJSA-N 1 2 206.333 3.209 20 0 BGADLO CC(C)[C@@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000036335382 167385783 /nfs/dbraw/zinc/38/57/83/167385783.db2.gz UQYAGVAEBHUMDM-LLVKDONJSA-N 1 2 206.333 3.209 20 0 BGADLO CC(C)[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000036335383 383899494 /nfs/dbraw/zinc/89/94/94/383899494.db2.gz UQYAGVAEBHUMDM-NSHDSACASA-N 1 2 206.333 3.209 20 0 BGADLO CC(C)[C@H](C)[NH2+]c1ccc(N(C)C)cc1 ZINC000036335383 383899487 /nfs/dbraw/zinc/89/94/87/383899487.db2.gz UQYAGVAEBHUMDM-NSHDSACASA-N 1 2 206.333 3.209 20 0 BGADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccncc1 ZINC000036335394 343316209 /nfs/dbraw/zinc/31/62/09/343316209.db2.gz KHZULHYWDWYWFG-LBPRGKRZSA-N 1 2 241.338 3.321 20 0 BGADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccncc1 ZINC000036335395 343316324 /nfs/dbraw/zinc/31/63/24/343316324.db2.gz KHZULHYWDWYWFG-GFCCVEGCSA-N 1 2 241.338 3.321 20 0 BGADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1cccnc1 ZINC000036335396 343316444 /nfs/dbraw/zinc/31/64/44/343316444.db2.gz BRSLXCDPVFOPMW-LBPRGKRZSA-N 1 2 241.338 3.321 20 0 BGADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1cccnc1 ZINC000036335397 343316260 /nfs/dbraw/zinc/31/62/60/343316260.db2.gz BRSLXCDPVFOPMW-GFCCVEGCSA-N 1 2 241.338 3.321 20 0 BGADLO CCC(CC)Nc1ccc([NH+](C)C)cc1 ZINC000036335414 168394404 /nfs/dbraw/zinc/39/44/04/168394404.db2.gz CRIMCADNSUIQLF-UHFFFAOYSA-N 1 2 206.333 3.353 20 0 BGADLO CCC(CC)[NH2+]c1ccc(N(C)C)cc1 ZINC000036335414 168394403 /nfs/dbraw/zinc/39/44/03/168394403.db2.gz CRIMCADNSUIQLF-UHFFFAOYSA-N 1 2 206.333 3.353 20 0 BGADLO C[NH+](C)c1ccc(NC(C2CC2)C2CC2)cc1 ZINC000036335421 643181391 /nfs/dbraw/zinc/18/13/91/643181391.db2.gz JVMTZXLIENDFFJ-UHFFFAOYSA-N 1 2 230.355 3.353 20 0 BGADLO CN(C)c1ccc([NH2+]C(C2CC2)C2CC2)cc1 ZINC000036335421 643181389 /nfs/dbraw/zinc/18/13/89/643181389.db2.gz JVMTZXLIENDFFJ-UHFFFAOYSA-N 1 2 230.355 3.353 20 0 BGADLO C[NH+](C)c1ccc(NC2CCSCC2)cc1 ZINC000036335479 343316170 /nfs/dbraw/zinc/31/61/70/343316170.db2.gz KHTTUKFDYOPWRT-UHFFFAOYSA-N 1 2 236.384 3.060 20 0 BGADLO CN(C)c1ccc([NH2+]C2CCSCC2)cc1 ZINC000036335479 343316169 /nfs/dbraw/zinc/31/61/69/343316169.db2.gz KHTTUKFDYOPWRT-UHFFFAOYSA-N 1 2 236.384 3.060 20 0 BGADLO Cn1cc[nH+]c1CNc1cccc2ccccc21 ZINC000036804472 358462264 /nfs/dbraw/zinc/46/22/64/358462264.db2.gz YGDIUEOAOQTWSL-UHFFFAOYSA-N 1 2 237.306 3.185 20 0 BGADLO Cn1cc[nH+]c1CNc1ccc(C(C)(C)C)cc1 ZINC000036804494 343324676 /nfs/dbraw/zinc/32/46/76/343324676.db2.gz CWAPRYKAOOGNSB-UHFFFAOYSA-N 1 2 243.354 3.330 20 0 BGADLO CC(C)c1ccccc1NCc1[nH+]ccn1C ZINC000036804536 343324519 /nfs/dbraw/zinc/32/45/19/343324519.db2.gz LFWFYQLHTNDDJW-UHFFFAOYSA-N 1 2 229.327 3.156 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)cs1 ZINC000036915245 180038539 /nfs/dbraw/zinc/03/85/39/180038539.db2.gz SXNFBSZLPKWSIU-VHSXEESVSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccccn2)cs1 ZINC000036915246 180050823 /nfs/dbraw/zinc/05/08/23/180050823.db2.gz SXNFBSZLPKWSIU-UWVGGRQHSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccccn2)cs1 ZINC000036915247 180037765 /nfs/dbraw/zinc/03/77/65/180037765.db2.gz SXNFBSZLPKWSIU-NXEZZACHSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccccn2)cs1 ZINC000036915248 180052041 /nfs/dbraw/zinc/05/20/41/180052041.db2.gz SXNFBSZLPKWSIU-ZJUUUORDSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)cs1 ZINC000036915289 180038230 /nfs/dbraw/zinc/03/82/30/180038230.db2.gz GLJUBAWNVDQAPN-VHSXEESVSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cccnc2)cs1 ZINC000036915290 180050603 /nfs/dbraw/zinc/05/06/03/180050603.db2.gz GLJUBAWNVDQAPN-UWVGGRQHSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cccnc2)cs1 ZINC000036915291 180036756 /nfs/dbraw/zinc/03/67/56/180036756.db2.gz GLJUBAWNVDQAPN-NXEZZACHSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2cccnc2)cs1 ZINC000036915292 180050455 /nfs/dbraw/zinc/05/04/55/180050455.db2.gz GLJUBAWNVDQAPN-ZJUUUORDSA-N 1 2 247.367 3.258 20 0 BGADLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1cccc(Cl)c1 ZINC000036921549 343327633 /nfs/dbraw/zinc/32/76/33/343327633.db2.gz FSAUCERSUCPGEC-ZDUSSCGKSA-N 1 2 249.745 3.304 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1cccc(Cl)c1 ZINC000036921550 343327716 /nfs/dbraw/zinc/32/77/16/343327716.db2.gz FSAUCERSUCPGEC-CYBMUJFWSA-N 1 2 249.745 3.304 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+]C1CCCC1 ZINC000036934737 712521219 /nfs/dbraw/zinc/52/12/19/712521219.db2.gz BRNGWTJSXISLQZ-UHFFFAOYSA-N 1 2 218.344 3.416 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NC1CCCC1 ZINC000036934737 712521217 /nfs/dbraw/zinc/52/12/17/712521217.db2.gz BRNGWTJSXISLQZ-UHFFFAOYSA-N 1 2 218.344 3.416 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCC(C)C ZINC000036934773 712521149 /nfs/dbraw/zinc/52/11/49/712521149.db2.gz QXTFQQFENDBMJU-UHFFFAOYSA-N 1 2 206.333 3.129 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+]CC(C)C ZINC000036934773 712521147 /nfs/dbraw/zinc/52/11/47/712521147.db2.gz QXTFQQFENDBMJU-UHFFFAOYSA-N 1 2 206.333 3.129 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H](C)C1CC1 ZINC000036934902 712521489 /nfs/dbraw/zinc/52/14/89/712521489.db2.gz UWGIXYAYQHQQFH-NSHDSACASA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)C1CC1 ZINC000036934902 712521487 /nfs/dbraw/zinc/52/14/87/712521487.db2.gz UWGIXYAYQHQQFH-NSHDSACASA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+][C@H](C)C1CC1 ZINC000036934903 712521395 /nfs/dbraw/zinc/52/13/95/712521395.db2.gz UWGIXYAYQHQQFH-LLVKDONJSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)C1CC1 ZINC000036934903 712521394 /nfs/dbraw/zinc/52/13/94/712521394.db2.gz UWGIXYAYQHQQFH-LLVKDONJSA-N 1 2 218.344 3.271 20 0 BGADLO CC[C@@H](C)CNc1cccc(-n2cc[nH+]c2)c1 ZINC000036939788 358464427 /nfs/dbraw/zinc/46/44/27/358464427.db2.gz DHBITXVYKCCXEG-GFCCVEGCSA-N 1 2 229.327 3.330 20 0 BGADLO CC[C@H](C)CNc1cccc(-n2cc[nH+]c2)c1 ZINC000036939790 171289057 /nfs/dbraw/zinc/28/90/57/171289057.db2.gz DHBITXVYKCCXEG-LBPRGKRZSA-N 1 2 229.327 3.330 20 0 BGADLO c1cn(-c2cccc(NC3CCCC3)c2)c[nH+]1 ZINC000036939857 188083330 /nfs/dbraw/zinc/08/33/30/188083330.db2.gz GJOVUHYYPFOPGE-UHFFFAOYSA-N 1 2 227.311 3.227 20 0 BGADLO c1coc(CNc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000036939904 183357435 /nfs/dbraw/zinc/35/74/35/183357435.db2.gz RDATYOQOSDJNKH-UHFFFAOYSA-N 1 2 239.278 3.077 20 0 BGADLO c1cn(-c2cccc(NCc3ccccc3)c2)c[nH+]1 ZINC000036939965 387558125 /nfs/dbraw/zinc/55/81/25/387558125.db2.gz XISJNXQUWNWXOS-UHFFFAOYSA-N 1 2 249.317 3.484 20 0 BGADLO CC(C)[C@@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000036940029 167387123 /nfs/dbraw/zinc/38/71/23/167387123.db2.gz KCHMFZOQQUCIMC-GFCCVEGCSA-N 1 2 229.327 3.329 20 0 BGADLO CC(C)[C@H](C)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000036940031 187229740 /nfs/dbraw/zinc/22/97/40/187229740.db2.gz KCHMFZOQQUCIMC-LBPRGKRZSA-N 1 2 229.327 3.329 20 0 BGADLO CCC(CC)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000036940061 387887470 /nfs/dbraw/zinc/88/74/70/387887470.db2.gz HBFFKZCAIWDJEV-UHFFFAOYSA-N 1 2 229.327 3.473 20 0 BGADLO C[C@H](Nc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000036940071 343328436 /nfs/dbraw/zinc/32/84/36/343328436.db2.gz SUGZWJJSUOCDJM-NSHDSACASA-N 1 2 227.311 3.083 20 0 BGADLO C[C@@H](Nc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000036940073 343328398 /nfs/dbraw/zinc/32/83/98/343328398.db2.gz SUGZWJJSUOCDJM-LLVKDONJSA-N 1 2 227.311 3.083 20 0 BGADLO CCCCNc1cccc(-n2cc[nH+]c2)c1 ZINC000036940149 711480156 /nfs/dbraw/zinc/48/01/56/711480156.db2.gz KGLYOZZVJDWOQM-UHFFFAOYSA-N 1 2 215.300 3.084 20 0 BGADLO Cc1cc(N2CCCC2)ccc1[NH2+]CC1CC1 ZINC000036955752 323019787 /nfs/dbraw/zinc/01/97/87/323019787.db2.gz YDBNTSBZDSZKGW-UHFFFAOYSA-N 1 2 230.355 3.417 20 0 BGADLO CC(C)[C@H]([NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000036968283 187230004 /nfs/dbraw/zinc/23/00/04/187230004.db2.gz GYEHQZZFXNNSKT-AWEZNQCLSA-N 1 2 247.317 3.036 20 0 BGADLO CC(C)[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc(F)cc1 ZINC000036968285 387556701 /nfs/dbraw/zinc/55/67/01/387556701.db2.gz GYEHQZZFXNNSKT-CQSZACIVSA-N 1 2 247.317 3.036 20 0 BGADLO CCCCC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977612 358464789 /nfs/dbraw/zinc/46/47/89/358464789.db2.gz MEODHFIHJOIEIH-UHFFFAOYSA-N 1 2 229.327 3.474 20 0 BGADLO CC[C@@H](C)C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977652 358465277 /nfs/dbraw/zinc/46/52/77/358465277.db2.gz GXSBSZWTYPZJBB-GFCCVEGCSA-N 1 2 229.327 3.330 20 0 BGADLO CC[C@H](C)C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977654 171287774 /nfs/dbraw/zinc/28/77/74/171287774.db2.gz GXSBSZWTYPZJBB-LBPRGKRZSA-N 1 2 229.327 3.330 20 0 BGADLO c1cnn(-c2ccc([NH2+]C3CCCC3)cc2)c1 ZINC000036977721 388550068 /nfs/dbraw/zinc/55/00/68/388550068.db2.gz DOUGKAGEPNYSKA-UHFFFAOYSA-N 1 2 227.311 3.227 20 0 BGADLO CC(C)CC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977790 387558197 /nfs/dbraw/zinc/55/81/97/387558197.db2.gz PKQCAOGLCYLMGU-UHFFFAOYSA-N 1 2 229.327 3.330 20 0 BGADLO CC(C)[C@@H](C)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977893 388550016 /nfs/dbraw/zinc/55/00/16/388550016.db2.gz PSQPLLHMBHDMCL-GFCCVEGCSA-N 1 2 229.327 3.329 20 0 BGADLO CC(C)[C@H](C)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977895 388550194 /nfs/dbraw/zinc/55/01/94/388550194.db2.gz PSQPLLHMBHDMCL-LBPRGKRZSA-N 1 2 229.327 3.329 20 0 BGADLO CCC(CC)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036977925 388550357 /nfs/dbraw/zinc/55/03/57/388550357.db2.gz TWXPJMWOQXSLFT-UHFFFAOYSA-N 1 2 229.327 3.473 20 0 BGADLO C[C@H]([NH2+]c1ccc(-n2cccn2)cc1)C1CC1 ZINC000036977935 358465905 /nfs/dbraw/zinc/46/59/05/358465905.db2.gz UVPPVOMUHWDRNK-NSHDSACASA-N 1 2 227.311 3.083 20 0 BGADLO C[C@@H]([NH2+]c1ccc(-n2cccn2)cc1)C1CC1 ZINC000036977937 358466039 /nfs/dbraw/zinc/46/60/39/358466039.db2.gz UVPPVOMUHWDRNK-LLVKDONJSA-N 1 2 227.311 3.083 20 0 BGADLO CCCC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000036978011 387557096 /nfs/dbraw/zinc/55/70/96/387557096.db2.gz BJYDXNPNLJQBFQ-UHFFFAOYSA-N 1 2 215.300 3.084 20 0 BGADLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1ccc(Cl)cc1 ZINC000036979388 343329372 /nfs/dbraw/zinc/32/93/72/343329372.db2.gz XDOBRXFJWYYKGO-ZDUSSCGKSA-N 1 2 249.745 3.304 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc(Cl)cc1 ZINC000036979389 343329010 /nfs/dbraw/zinc/32/90/10/343329010.db2.gz XDOBRXFJWYYKGO-CYBMUJFWSA-N 1 2 249.745 3.304 20 0 BGADLO CC[C@@H](C)CNc1ccc(N2CCCC2)[nH+]c1 ZINC000036982087 358465654 /nfs/dbraw/zinc/46/56/54/358465654.db2.gz MSUFLOWWSZVMHT-GFCCVEGCSA-N 1 2 233.359 3.140 20 0 BGADLO CC[C@H](C)CNc1ccc(N2CCCC2)[nH+]c1 ZINC000036982088 171287821 /nfs/dbraw/zinc/28/78/21/171287821.db2.gz MSUFLOWWSZVMHT-LBPRGKRZSA-N 1 2 233.359 3.140 20 0 BGADLO c1cc(N2CCCC2)[nH+]cc1NC1CCCC1 ZINC000036982122 188113545 /nfs/dbraw/zinc/11/35/45/188113545.db2.gz GZLRXCNORVHNEQ-UHFFFAOYSA-N 1 2 231.343 3.036 20 0 BGADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)C1(C)CC1 ZINC000036982181 358465997 /nfs/dbraw/zinc/46/59/97/358465997.db2.gz LOHZRLHCDMBSFZ-LBPRGKRZSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)C1(C)CC1 ZINC000036982182 358466048 /nfs/dbraw/zinc/46/60/48/358466048.db2.gz LOHZRLHCDMBSFZ-GFCCVEGCSA-N 1 2 245.370 3.282 20 0 BGADLO c1cc(N2CCCC2)[nH+]cc1NC1CCCCC1 ZINC000036982186 388551126 /nfs/dbraw/zinc/55/11/26/388551126.db2.gz NHPJWDSNRIVADQ-UHFFFAOYSA-N 1 2 245.370 3.426 20 0 BGADLO CCC[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982198 388551233 /nfs/dbraw/zinc/55/12/33/388551233.db2.gz UXPPGUDPVVXRFJ-GFCCVEGCSA-N 1 2 233.359 3.282 20 0 BGADLO CCC[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982199 262962088 /nfs/dbraw/zinc/96/20/88/262962088.db2.gz UXPPGUDPVVXRFJ-LBPRGKRZSA-N 1 2 233.359 3.282 20 0 BGADLO CC(C)[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982207 384582596 /nfs/dbraw/zinc/58/25/96/384582596.db2.gz IKTGERKORDVFBB-GFCCVEGCSA-N 1 2 233.359 3.138 20 0 BGADLO CC(C)[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982208 384578076 /nfs/dbraw/zinc/57/80/76/384578076.db2.gz IKTGERKORDVFBB-LBPRGKRZSA-N 1 2 233.359 3.138 20 0 BGADLO CCC(CC)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000036982223 388551293 /nfs/dbraw/zinc/55/12/93/388551293.db2.gz MWFMDGORHAAHJE-UHFFFAOYSA-N 1 2 233.359 3.282 20 0 BGADLO c1cc(N2CCCCC2)[nH+]cc1NC1CCCC1 ZINC000036988541 388558420 /nfs/dbraw/zinc/55/84/20/388558420.db2.gz QVFYOVVQPBDWDQ-UHFFFAOYSA-N 1 2 245.370 3.426 20 0 BGADLO CC(C)CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000036988580 535171506 /nfs/dbraw/zinc/17/15/06/535171506.db2.gz DYHPVATUVFGDQY-UHFFFAOYSA-N 1 2 233.359 3.140 20 0 BGADLO CC[C@@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000036988630 388558549 /nfs/dbraw/zinc/55/85/49/388558549.db2.gz ALEPQOYCJDANLP-GFCCVEGCSA-N 1 2 233.359 3.282 20 0 BGADLO CC[C@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000036988631 388558013 /nfs/dbraw/zinc/55/80/13/388558013.db2.gz ALEPQOYCJDANLP-LBPRGKRZSA-N 1 2 233.359 3.282 20 0 BGADLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)C1CC1 ZINC000036988661 388558851 /nfs/dbraw/zinc/55/88/51/388558851.db2.gz KNOPEMFNYBZXLU-LBPRGKRZSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)C1CC1 ZINC000036988663 388558144 /nfs/dbraw/zinc/55/81/44/388558144.db2.gz KNOPEMFNYBZXLU-GFCCVEGCSA-N 1 2 245.370 3.282 20 0 BGADLO Cc1ccc(CNc2ccc(N(C)C)[nH+]c2)s1 ZINC000036988741 343329694 /nfs/dbraw/zinc/32/96/94/343329694.db2.gz UDWGQYGMDMVUCZ-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO Cc1ccccc1CNc1ccc(N(C)C)[nH+]c1 ZINC000036988817 179286208 /nfs/dbraw/zinc/28/62/08/179286208.db2.gz QJUZJOKMRCQKQK-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO Cc1ccc(CNc2ccc(N(C)C)[nH+]c2)cc1 ZINC000036988818 358465596 /nfs/dbraw/zinc/46/55/96/358465596.db2.gz JHTGROXNURKROD-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO Cc1cccc(CNc2ccc(N(C)C)[nH+]c2)c1 ZINC000036988820 358465979 /nfs/dbraw/zinc/46/59/79/358465979.db2.gz YZMPHJNWONMZSX-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO C[C@@H]1CCC[C@H](Nc2ccc(N(C)C)[nH+]c2)C1 ZINC000036988847 386836313 /nfs/dbraw/zinc/83/63/13/386836313.db2.gz UQIAWSFIKVXGNU-NEPJUHHUSA-N 1 2 233.359 3.138 20 0 BGADLO C[C@H]1CCC[C@H](Nc2ccc(N(C)C)[nH+]c2)C1 ZINC000036988848 386836518 /nfs/dbraw/zinc/83/65/18/386836518.db2.gz UQIAWSFIKVXGNU-RYUDHWBXSA-N 1 2 233.359 3.138 20 0 BGADLO C[C@@H]1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)C1 ZINC000036988849 386835776 /nfs/dbraw/zinc/83/57/76/386835776.db2.gz UQIAWSFIKVXGNU-VXGBXAGGSA-N 1 2 233.359 3.138 20 0 BGADLO C[C@H]1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)C1 ZINC000036988850 386837376 /nfs/dbraw/zinc/83/73/76/386837376.db2.gz UQIAWSFIKVXGNU-NWDGAFQWSA-N 1 2 233.359 3.138 20 0 BGADLO Cc1ccsc1CNc1ccc(N(C)C)[nH+]c1 ZINC000036988869 358465156 /nfs/dbraw/zinc/46/51/56/358465156.db2.gz LFMRSSIEZZLFBI-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO CC(C)(C)[C@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000036994797 343329776 /nfs/dbraw/zinc/32/97/76/343329776.db2.gz DSWBTVIIFDIKBG-CQSZACIVSA-N 1 2 243.354 3.287 20 0 BGADLO CC(C)(C)[C@@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000036994798 343329818 /nfs/dbraw/zinc/32/98/18/343329818.db2.gz DSWBTVIIFDIKBG-AWEZNQCLSA-N 1 2 243.354 3.287 20 0 BGADLO CCN(CC)c1ccc(NC2CCCC2)c[nH+]1 ZINC000037003309 388567539 /nfs/dbraw/zinc/56/75/39/388567539.db2.gz IHFXCTOAGNMCIP-UHFFFAOYSA-N 1 2 233.359 3.282 20 0 BGADLO CCN(CC)c1ccc(NCc2ccco2)c[nH+]1 ZINC000037003360 387557537 /nfs/dbraw/zinc/55/75/37/387557537.db2.gz UFQDXTKSFGCZDI-UHFFFAOYSA-N 1 2 245.326 3.133 20 0 BGADLO CC[C@@H](C)Nc1ccc(N(CC)CC)[nH+]c1 ZINC000037003583 388567212 /nfs/dbraw/zinc/56/72/12/388567212.db2.gz XOHZEAJHVSDRNS-LLVKDONJSA-N 1 2 221.348 3.138 20 0 BGADLO CC[C@H](C)Nc1ccc(N(CC)CC)[nH+]c1 ZINC000037003584 388566842 /nfs/dbraw/zinc/56/68/42/388566842.db2.gz XOHZEAJHVSDRNS-NSHDSACASA-N 1 2 221.348 3.138 20 0 BGADLO CCN(CC)c1ccc(N[C@@H](C)C2CC2)c[nH+]1 ZINC000037003644 388566995 /nfs/dbraw/zinc/56/69/95/388566995.db2.gz XWVBFUDQTZOZJX-NSHDSACASA-N 1 2 233.359 3.138 20 0 BGADLO CCN(CC)c1ccc(N[C@H](C)C2CC2)c[nH+]1 ZINC000037003645 388566891 /nfs/dbraw/zinc/56/68/91/388566891.db2.gz XWVBFUDQTZOZJX-LLVKDONJSA-N 1 2 233.359 3.138 20 0 BGADLO CC(C)C[C@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000037043095 383931519 /nfs/dbraw/zinc/93/15/19/383931519.db2.gz BCDMURIZWRXFLW-HNNXBMFYSA-N 1 2 243.354 3.287 20 0 BGADLO CC(C)C[C@@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000037043096 343331773 /nfs/dbraw/zinc/33/17/73/343331773.db2.gz BCDMURIZWRXFLW-OAHLLOKOSA-N 1 2 243.354 3.287 20 0 BGADLO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000037044704 343332409 /nfs/dbraw/zinc/33/24/09/343332409.db2.gz IAMOYGSUBQOCSC-GFCCVEGCSA-N 1 2 243.354 3.384 20 0 BGADLO CC(C)c1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000037044706 343332432 /nfs/dbraw/zinc/33/24/32/343332432.db2.gz IAMOYGSUBQOCSC-LBPRGKRZSA-N 1 2 243.354 3.384 20 0 BGADLO CC[C@H]([NH2+]Cc1csnn1)c1ccc(C)cc1 ZINC000037048225 358466959 /nfs/dbraw/zinc/46/69/59/358466959.db2.gz HWTMAKJCQOIELT-ZDUSSCGKSA-N 1 2 247.367 3.087 20 0 BGADLO CC[C@@H]([NH2+]Cc1csnn1)c1ccc(C)cc1 ZINC000037048226 358466998 /nfs/dbraw/zinc/46/69/98/358466998.db2.gz HWTMAKJCQOIELT-CYBMUJFWSA-N 1 2 247.367 3.087 20 0 BGADLO CCC[C@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000037062547 343332090 /nfs/dbraw/zinc/33/20/90/343332090.db2.gz ZPQQLCRGVLWCTA-AWEZNQCLSA-N 1 2 229.327 3.041 20 0 BGADLO CCC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000037062548 383935449 /nfs/dbraw/zinc/93/54/49/383935449.db2.gz ZPQQLCRGVLWCTA-CQSZACIVSA-N 1 2 229.327 3.041 20 0 BGADLO CCC[C@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000037062549 343332389 /nfs/dbraw/zinc/33/23/89/343332389.db2.gz RRFRAZQJLYKFCT-ZDUSSCGKSA-N 1 2 247.367 3.169 20 0 BGADLO CCC[C@@H]([NH2+]Cc1csnn1)c1ccccc1 ZINC000037062550 383936063 /nfs/dbraw/zinc/93/60/63/383936063.db2.gz RRFRAZQJLYKFCT-CYBMUJFWSA-N 1 2 247.367 3.169 20 0 BGADLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cc2ccccc2o1 ZINC000037070927 176879310 /nfs/dbraw/zinc/87/93/10/176879310.db2.gz SCZHRLBANANVJV-JTQLQIEISA-N 1 2 241.294 3.007 20 0 BGADLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cc2ccccc2o1 ZINC000037070928 358467421 /nfs/dbraw/zinc/46/74/21/358467421.db2.gz SCZHRLBANANVJV-SNVBAGLBSA-N 1 2 241.294 3.007 20 0 BGADLO c1cc([NH+]2CCCC2)ccc1N[C@@H]1CCSC1 ZINC000037102269 183356288 /nfs/dbraw/zinc/35/62/88/183356288.db2.gz IVXRRZAQXYEINU-CYBMUJFWSA-N 1 2 248.395 3.204 20 0 BGADLO c1cc([NH+]2CCCC2)ccc1N[C@H]1CCSC1 ZINC000037102270 183355935 /nfs/dbraw/zinc/35/59/35/183355935.db2.gz IVXRRZAQXYEINU-ZDUSSCGKSA-N 1 2 248.395 3.204 20 0 BGADLO CC(C)CNc1ccc([NH+]2CCCC2)cc1 ZINC000037102283 167017061 /nfs/dbraw/zinc/01/70/61/167017061.db2.gz UNGLJNYYVSDPSG-UHFFFAOYSA-N 1 2 218.344 3.355 20 0 BGADLO CC(C)C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000037102283 167017059 /nfs/dbraw/zinc/01/70/59/167017059.db2.gz UNGLJNYYVSDPSG-UHFFFAOYSA-N 1 2 218.344 3.355 20 0 BGADLO C[C@H]([NH2+]c1ccc(N2CCCC2)cc1)C1CC1 ZINC000037102347 343334070 /nfs/dbraw/zinc/33/40/70/343334070.db2.gz YBTVMAWHAUHBRK-LBPRGKRZSA-N 1 2 230.355 3.497 20 0 BGADLO C[C@H](Nc1ccc([NH+]2CCCC2)cc1)C1CC1 ZINC000037102347 343334067 /nfs/dbraw/zinc/33/40/67/343334067.db2.gz YBTVMAWHAUHBRK-LBPRGKRZSA-N 1 2 230.355 3.497 20 0 BGADLO C[C@@H]([NH2+]c1ccc(N2CCCC2)cc1)C1CC1 ZINC000037102348 343334160 /nfs/dbraw/zinc/33/41/60/343334160.db2.gz YBTVMAWHAUHBRK-GFCCVEGCSA-N 1 2 230.355 3.497 20 0 BGADLO C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)C1CC1 ZINC000037102348 343334157 /nfs/dbraw/zinc/33/41/57/343334157.db2.gz YBTVMAWHAUHBRK-GFCCVEGCSA-N 1 2 230.355 3.497 20 0 BGADLO c1cc([NH+]2CCCC2)ccc1NCC1CC1 ZINC000037102371 183356304 /nfs/dbraw/zinc/35/63/04/183356304.db2.gz NWLVYBBVBYNTEK-UHFFFAOYSA-N 1 2 216.328 3.109 20 0 BGADLO c1cc(N2CCCC2)ccc1[NH2+]CC1CC1 ZINC000037102371 183356303 /nfs/dbraw/zinc/35/63/03/183356303.db2.gz NWLVYBBVBYNTEK-UHFFFAOYSA-N 1 2 216.328 3.109 20 0 BGADLO COCCOc1ccc([NH2+]C2CCCC2)cc1 ZINC000037106096 174368646 /nfs/dbraw/zinc/36/86/46/174368646.db2.gz IIFAGXUSCAOBRR-UHFFFAOYSA-N 1 2 235.327 3.066 20 0 BGADLO COCCOc1ccc([NH2+][C@H](C)C(C)C)cc1 ZINC000037106181 174368986 /nfs/dbraw/zinc/36/89/86/174368986.db2.gz PDEOBJGLSOINHJ-GFCCVEGCSA-N 1 2 237.343 3.168 20 0 BGADLO COCCOc1ccc([NH2+][C@@H](C)C(C)C)cc1 ZINC000037106182 174368688 /nfs/dbraw/zinc/36/86/88/174368688.db2.gz PDEOBJGLSOINHJ-LBPRGKRZSA-N 1 2 237.343 3.168 20 0 BGADLO COc1cc(OC)c([NH2+]CC2CC2)cc1Cl ZINC000037118279 175007511 /nfs/dbraw/zinc/00/75/11/175007511.db2.gz NYGGUHNQPRNOMT-UHFFFAOYSA-N 1 2 241.718 3.179 20 0 BGADLO CC(C)Oc1ccc([NH2+]CC2CC2)cc1 ZINC000037118341 383941560 /nfs/dbraw/zinc/94/15/60/383941560.db2.gz GKQKKEVTZPPSAR-UHFFFAOYSA-N 1 2 205.301 3.296 20 0 BGADLO FC(F)Oc1ccc([NH2+]CC2CC2)cc1 ZINC000037118352 180907130 /nfs/dbraw/zinc/90/71/30/180907130.db2.gz FLXVTCBWQPOPCS-UHFFFAOYSA-N 1 2 213.227 3.110 20 0 BGADLO Cc1nc(C[NH2+][C@@H](C)c2cccc(O)c2)cs1 ZINC000037151597 343336802 /nfs/dbraw/zinc/33/68/02/343336802.db2.gz ILXUOXXEAFXZDP-VIFPVBQESA-N 1 2 248.351 3.008 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2cccc(O)c2)cs1 ZINC000037151599 343336889 /nfs/dbraw/zinc/33/68/89/343336889.db2.gz ILXUOXXEAFXZDP-SECBINFHSA-N 1 2 248.351 3.008 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)F)C1CCCCC1 ZINC000037184469 383955118 /nfs/dbraw/zinc/95/51/18/383955118.db2.gz RBMCLQNJUANIEM-QMMMGPOBSA-N 1 2 209.255 3.107 20 0 BGADLO C[C@@H]([NH2+]CC(F)(F)F)C1CCCCC1 ZINC000037184470 383955193 /nfs/dbraw/zinc/95/51/93/383955193.db2.gz RBMCLQNJUANIEM-MRVPVSSYSA-N 1 2 209.255 3.107 20 0 BGADLO Cc1[nH+]c2ccccn2c1CNc1ccccc1 ZINC000037186032 180107272 /nfs/dbraw/zinc/10/72/72/180107272.db2.gz LEOCVGKXNGWMHY-UHFFFAOYSA-N 1 2 237.306 3.255 20 0 BGADLO CCCCc1ccc(NCc2[nH+]ccn2C)cc1 ZINC000037249775 169021804 /nfs/dbraw/zinc/02/18/04/169021804.db2.gz CADPHHJJDDQKMK-UHFFFAOYSA-N 1 2 243.354 3.375 20 0 BGADLO CC[C@@H]1CCC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000037339591 398316323 /nfs/dbraw/zinc/31/63/23/398316323.db2.gz CVRAMTJXJMJPPH-GFCCVEGCSA-N 1 2 249.329 3.130 20 0 BGADLO CC[C@@H]1CCC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000037339591 398316321 /nfs/dbraw/zinc/31/63/21/398316321.db2.gz CVRAMTJXJMJPPH-GFCCVEGCSA-N 1 2 249.329 3.130 20 0 BGADLO CC[C@H]1CCC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000037339592 398316302 /nfs/dbraw/zinc/31/63/02/398316302.db2.gz CVRAMTJXJMJPPH-LBPRGKRZSA-N 1 2 249.329 3.130 20 0 BGADLO CC[C@H]1CCC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000037339592 398316299 /nfs/dbraw/zinc/31/62/99/398316299.db2.gz CVRAMTJXJMJPPH-LBPRGKRZSA-N 1 2 249.329 3.130 20 0 BGADLO COc1ccc([NH2+]C(C2CC2)C2CC2)cc1 ZINC000037466639 175149400 /nfs/dbraw/zinc/14/94/00/175149400.db2.gz PYOWJHUZQSBTEN-UHFFFAOYSA-N 1 2 217.312 3.296 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccco1 ZINC000037487284 388880762 /nfs/dbraw/zinc/88/07/62/388880762.db2.gz WZDASNRGTPMDGH-QMMMGPOBSA-N 1 2 225.675 3.377 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccco1 ZINC000037487285 388880682 /nfs/dbraw/zinc/88/06/82/388880682.db2.gz WZDASNRGTPMDGH-MRVPVSSYSA-N 1 2 225.675 3.377 20 0 BGADLO c1ccc2[nH+]c(NCCc3cccnc3)ccc2c1 ZINC000037502083 384506086 /nfs/dbraw/zinc/50/60/86/384506086.db2.gz HMFBWIKIJFBPIP-UHFFFAOYSA-N 1 2 249.317 3.284 20 0 BGADLO FC(F)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000037755722 343353460 /nfs/dbraw/zinc/35/34/60/343353460.db2.gz PLHPSFIZBPMKBD-UHFFFAOYSA-N 1 2 239.187 3.060 20 0 BGADLO CCC(CC)C[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037768997 168365232 /nfs/dbraw/zinc/36/52/32/168365232.db2.gz OABXHNFMAJHOJA-UHFFFAOYSA-N 1 2 244.342 3.115 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]CC(C)C ZINC000037777989 342952857 /nfs/dbraw/zinc/95/28/57/342952857.db2.gz JMJVCSLZFLAOJV-UHFFFAOYSA-N 1 2 207.317 3.462 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]CC1CC1 ZINC000037778079 342952619 /nfs/dbraw/zinc/95/26/19/342952619.db2.gz KYIJJZXWHQAAOQ-UHFFFAOYSA-N 1 2 205.301 3.216 20 0 BGADLO COCCOc1cc(C)ccc1[NH2+][C@@H](C)C1CC1 ZINC000037778953 174367778 /nfs/dbraw/zinc/36/77/78/174367778.db2.gz RUHXOTANBLDHLX-LBPRGKRZSA-N 1 2 249.354 3.231 20 0 BGADLO COCCOc1cc(C)ccc1[NH2+][C@H](C)C1CC1 ZINC000037778954 174367519 /nfs/dbraw/zinc/36/75/19/174367519.db2.gz RUHXOTANBLDHLX-GFCCVEGCSA-N 1 2 249.354 3.231 20 0 BGADLO COCCOc1cc(C)ccc1[NH2+]C1CCCC1 ZINC000037778989 174367552 /nfs/dbraw/zinc/36/75/52/174367552.db2.gz IFMDRCQHPNCZLU-UHFFFAOYSA-N 1 2 249.354 3.375 20 0 BGADLO COCCOc1cc(C)ccc1[NH2+]CC(C)C ZINC000037779006 174367829 /nfs/dbraw/zinc/36/78/29/174367829.db2.gz XUOWJPCBUVIDQC-UHFFFAOYSA-N 1 2 237.343 3.088 20 0 BGADLO Cc1cc(OC(C)C)ccc1[NH2+]C1CCOCC1 ZINC000037780684 178207903 /nfs/dbraw/zinc/20/79/03/178207903.db2.gz DUCKXNOQDUNPTH-UHFFFAOYSA-N 1 2 249.354 3.373 20 0 BGADLO CC(C)[NH2+]c1ccc(N2CCCC2)c(F)c1 ZINC000037781013 167147632 /nfs/dbraw/zinc/14/76/32/167147632.db2.gz ZNALHHWLGLYHJW-UHFFFAOYSA-N 1 2 222.307 3.246 20 0 BGADLO CC(C)C[NH2+]c1ccc(N2CCCC2)c(F)c1 ZINC000037781054 167016612 /nfs/dbraw/zinc/01/66/12/167016612.db2.gz CBLUCPWEKFUPEP-UHFFFAOYSA-N 1 2 236.334 3.494 20 0 BGADLO CC(C)[NH2+]c1ccc(N(C)C)c(Cl)c1 ZINC000037781165 364752946 /nfs/dbraw/zinc/75/29/46/364752946.db2.gz MPVRIKMNRWBVDD-UHFFFAOYSA-N 1 2 212.724 3.226 20 0 BGADLO CC(C)C[NH2+]c1ccc(N(C)C)c(Cl)c1 ZINC000037781231 712756448 /nfs/dbraw/zinc/75/64/48/712756448.db2.gz SCYWLGDMLXLHAZ-UHFFFAOYSA-N 1 2 226.751 3.474 20 0 BGADLO CN(C)c1ccc([NH2+]CC2CC2)cc1Cl ZINC000037781318 712756701 /nfs/dbraw/zinc/75/67/01/712756701.db2.gz FHBKKCAJZHMVBW-UHFFFAOYSA-N 1 2 224.735 3.228 20 0 BGADLO COc1cc(C)ccc1[NH2+][C@@H](C)C1CC1 ZINC000037783035 384530364 /nfs/dbraw/zinc/53/03/64/384530364.db2.gz FCWFSCXCIPVGKF-JTQLQIEISA-N 1 2 205.301 3.214 20 0 BGADLO COc1cc(C)ccc1[NH2+][C@H](C)C1CC1 ZINC000037783036 322829860 /nfs/dbraw/zinc/82/98/60/322829860.db2.gz FCWFSCXCIPVGKF-SNVBAGLBSA-N 1 2 205.301 3.214 20 0 BGADLO COc1cc(C)ccc1[NH2+][C@@H](C)C(C)C ZINC000037783131 322829953 /nfs/dbraw/zinc/82/99/53/322829953.db2.gz GUUIRENLLKCTDU-NSHDSACASA-N 1 2 207.317 3.460 20 0 BGADLO COc1cc(C)ccc1[NH2+][C@H](C)C(C)C ZINC000037783132 322829869 /nfs/dbraw/zinc/82/98/69/322829869.db2.gz GUUIRENLLKCTDU-LLVKDONJSA-N 1 2 207.317 3.460 20 0 BGADLO COc1cc(C)ccc1[NH2+]C1CCCC1 ZINC000037783171 322829879 /nfs/dbraw/zinc/82/98/79/322829879.db2.gz JXCRUFQXVOZZLV-UHFFFAOYSA-N 1 2 205.301 3.358 20 0 BGADLO COc1cc(C)ccc1[NH2+]CCC(C)C ZINC000037783200 322829881 /nfs/dbraw/zinc/82/98/81/322829881.db2.gz ZWJCNDAKEFPGRP-UHFFFAOYSA-N 1 2 207.317 3.462 20 0 BGADLO CC[C@@H](C)C[NH2+]c1ccc(C)cc1OC ZINC000037783397 322829959 /nfs/dbraw/zinc/82/99/59/322829959.db2.gz RSZOJOCYBMQXJE-SNVBAGLBSA-N 1 2 207.317 3.462 20 0 BGADLO CC[C@H](C)C[NH2+]c1ccc(C)cc1OC ZINC000037783398 384531900 /nfs/dbraw/zinc/53/19/00/384531900.db2.gz RSZOJOCYBMQXJE-JTQLQIEISA-N 1 2 207.317 3.462 20 0 BGADLO Cc1ncc(CNc2ccc([NH+](C)C)cc2)s1 ZINC000037797190 180159527 /nfs/dbraw/zinc/15/95/27/180159527.db2.gz LZRJTXDSJHILOQ-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO c1ccc(SCCNc2cccc[nH+]2)cc1 ZINC000037854882 344593918 /nfs/dbraw/zinc/59/39/18/344593918.db2.gz SSKFLKLXHPYQIX-UHFFFAOYSA-N 1 2 230.336 3.286 20 0 BGADLO CC[C@H]([NH2+]Cc1cn[nH]c1C)c1ccc(C)cc1 ZINC000037891084 343360115 /nfs/dbraw/zinc/36/01/15/343360115.db2.gz DWQHJFFFWUCKIJ-HNNXBMFYSA-N 1 2 243.354 3.267 20 0 BGADLO CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1ccc(C)cc1 ZINC000037891085 343359914 /nfs/dbraw/zinc/35/99/14/343359914.db2.gz DWQHJFFFWUCKIJ-OAHLLOKOSA-N 1 2 243.354 3.267 20 0 BGADLO CCC[C@H]([NH2+]Cc1cn[nH]c1C)c1ccccc1 ZINC000037893429 343359868 /nfs/dbraw/zinc/35/98/68/343359868.db2.gz JQNCHXODVLGJET-HNNXBMFYSA-N 1 2 243.354 3.349 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000037898755 387567770 /nfs/dbraw/zinc/56/77/70/387567770.db2.gz NESBZTYERBKTMD-CYBMUJFWSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000037898756 358479933 /nfs/dbraw/zinc/47/99/33/358479933.db2.gz NESBZTYERBKTMD-ZDUSSCGKSA-N 1 2 243.354 3.186 20 0 BGADLO CCOc1ccc([NH2+]C(CC)CC)cc1CO ZINC000037901508 343359891 /nfs/dbraw/zinc/35/98/91/343359891.db2.gz CCSDGMVDLGKQFK-UHFFFAOYSA-N 1 2 237.343 3.178 20 0 BGADLO CCOc1ccc([NH2+][C@@H](C)C(C)C)cc1CO ZINC000037901523 343360024 /nfs/dbraw/zinc/36/00/24/343360024.db2.gz WYFYZOGKHVHVBF-NSHDSACASA-N 1 2 237.343 3.034 20 0 BGADLO CCOc1ccc([NH2+][C@H](C)C(C)C)cc1CO ZINC000037901524 343359960 /nfs/dbraw/zinc/35/99/60/343359960.db2.gz WYFYZOGKHVHVBF-LLVKDONJSA-N 1 2 237.343 3.034 20 0 BGADLO CCOc1ccc([NH2+]C2CCCCC2)cc1CO ZINC000037901555 343359930 /nfs/dbraw/zinc/35/99/30/343359930.db2.gz CFIWPLQQKABZDH-UHFFFAOYSA-N 1 2 249.354 3.322 20 0 BGADLO CCC[C@@H](C)[NH2+]c1ccc(OCC)c(CO)c1 ZINC000037901562 169372091 /nfs/dbraw/zinc/37/20/91/169372091.db2.gz JUMZWGCWGVFDOO-LLVKDONJSA-N 1 2 237.343 3.178 20 0 BGADLO CCOc1ccc([NH2+]C[C@H](C)CC)cc1CO ZINC000037901583 343360130 /nfs/dbraw/zinc/36/01/30/343360130.db2.gz FHQYSXSLPHDAPA-LLVKDONJSA-N 1 2 237.343 3.036 20 0 BGADLO CCOc1ccc([NH2+]C[C@@H](C)CC)cc1CO ZINC000037901584 343359785 /nfs/dbraw/zinc/35/97/85/343359785.db2.gz FHQYSXSLPHDAPA-NSHDSACASA-N 1 2 237.343 3.036 20 0 BGADLO CC(C)(CNc1cccc[nH+]1)c1ccccc1 ZINC000037901947 188332366 /nfs/dbraw/zinc/33/23/66/188332366.db2.gz DSVUFFAJMNKFFY-UHFFFAOYSA-N 1 2 226.323 3.471 20 0 BGADLO Cc1nc(C[NH2+][C@@H](C)c2ccccc2)oc1C ZINC000037909162 343360618 /nfs/dbraw/zinc/36/06/18/343360618.db2.gz JVFHOIAQEUPHCN-NSHDSACASA-N 1 2 230.311 3.142 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2ccccc2)oc1C ZINC000037909163 343360382 /nfs/dbraw/zinc/36/03/82/343360382.db2.gz JVFHOIAQEUPHCN-LLVKDONJSA-N 1 2 230.311 3.142 20 0 BGADLO c1coc(CCNc2ccc3ccccc3[nH+]2)c1 ZINC000037975295 350296878 /nfs/dbraw/zinc/29/68/78/350296878.db2.gz GABOGBQPOBHYMA-UHFFFAOYSA-N 1 2 238.290 3.482 20 0 BGADLO Cc1cc(NCCc2ccco2)nc(C(C)C)[nH+]1 ZINC000037976203 178163385 /nfs/dbraw/zinc/16/33/85/178163385.db2.gz VEVWQZHYVSWTOS-UHFFFAOYSA-N 1 2 245.326 3.156 20 0 BGADLO CCC[C@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000037980915 343363434 /nfs/dbraw/zinc/36/34/34/343363434.db2.gz CCZSTUZSDXHIBA-ZDUSSCGKSA-N 1 2 245.326 3.009 20 0 BGADLO CCC[C@@H]([NH2+]Cc1nc(C)no1)c1ccccc1 ZINC000037980916 386108252 /nfs/dbraw/zinc/10/82/52/386108252.db2.gz CCZSTUZSDXHIBA-CYBMUJFWSA-N 1 2 245.326 3.009 20 0 BGADLO c1ccc2[nH+]c(NCC[C@H]3CCCO3)ccc2c1 ZINC000037987986 398335520 /nfs/dbraw/zinc/33/55/20/398335520.db2.gz HRRPAYUVRAVJPX-CYBMUJFWSA-N 1 2 242.322 3.216 20 0 BGADLO Cc1[nH]ncc1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000037989196 387570487 /nfs/dbraw/zinc/57/04/87/387570487.db2.gz YOVOYVKHUNZVQB-UHFFFAOYSA-N 1 2 243.354 3.131 20 0 BGADLO c1ccc(NCCC2CCCCC2)[nH+]c1 ZINC000037996271 385597752 /nfs/dbraw/zinc/59/77/52/385597752.db2.gz JANDPHKXCDVBQE-UHFFFAOYSA-N 1 2 204.317 3.464 20 0 BGADLO CCOCc1ccccc1CNc1cccc[nH+]1 ZINC000037996419 385597135 /nfs/dbraw/zinc/59/71/35/385597135.db2.gz JCAAMDVHYPTEBI-UHFFFAOYSA-N 1 2 242.322 3.230 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000037996445 384053556 /nfs/dbraw/zinc/05/35/56/384053556.db2.gz YPMRPZGYQRFDLO-CYBMUJFWSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000037996446 384052354 /nfs/dbraw/zinc/05/23/54/384052354.db2.gz YPMRPZGYQRFDLO-ZDUSSCGKSA-N 1 2 243.354 3.186 20 0 BGADLO CC[C@H]([NH2+]Cc1cn[nH]c1C)c1ccc(F)cc1 ZINC000038011180 343365609 /nfs/dbraw/zinc/36/56/09/343365609.db2.gz SWFZVKDYGCEPSX-AWEZNQCLSA-N 1 2 247.317 3.098 20 0 BGADLO CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1ccc(F)cc1 ZINC000038011181 343365571 /nfs/dbraw/zinc/36/55/71/343365571.db2.gz SWFZVKDYGCEPSX-CQSZACIVSA-N 1 2 247.317 3.098 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000038011196 387569475 /nfs/dbraw/zinc/56/94/75/387569475.db2.gz MGDISJWXLQLKEF-GFCCVEGCSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000038011197 387570559 /nfs/dbraw/zinc/57/05/59/387570559.db2.gz MGDISJWXLQLKEF-LBPRGKRZSA-N 1 2 243.354 3.186 20 0 BGADLO CC[C@H]([NH2+]Cc1cn[nH]c1C)c1cccs1 ZINC000038011241 350296497 /nfs/dbraw/zinc/29/64/97/350296497.db2.gz XHCXDNZDKODLLR-NSHDSACASA-N 1 2 235.356 3.021 20 0 BGADLO CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1cccs1 ZINC000038011242 350296195 /nfs/dbraw/zinc/29/61/95/350296195.db2.gz XHCXDNZDKODLLR-LLVKDONJSA-N 1 2 235.356 3.021 20 0 BGADLO CCc1ccc([C@@H](C)[NH2+]CC(F)F)cc1 ZINC000038012753 386112722 /nfs/dbraw/zinc/11/27/22/386112722.db2.gz XFDGPZGWXHTKGO-SECBINFHSA-N 1 2 213.271 3.165 20 0 BGADLO CCc1ccc([C@H](C)[NH2+]CC(F)F)cc1 ZINC000038012754 386112459 /nfs/dbraw/zinc/11/24/59/386112459.db2.gz XFDGPZGWXHTKGO-VIFPVBQESA-N 1 2 213.271 3.165 20 0 BGADLO c1ccc2[nH+]c(NC[C@@H]3CCCOC3)ccc2c1 ZINC000038046392 398024888 /nfs/dbraw/zinc/02/48/88/398024888.db2.gz SWTMJQQVJYGXKK-LBPRGKRZSA-N 1 2 242.322 3.073 20 0 BGADLO c1ccc2[nH+]c(NC[C@H]3CCCOC3)ccc2c1 ZINC000038046393 398024666 /nfs/dbraw/zinc/02/46/66/398024666.db2.gz SWTMJQQVJYGXKK-GFCCVEGCSA-N 1 2 242.322 3.073 20 0 BGADLO Cc1csc(C[NH2+][C@H](C)c2ccc(C)o2)n1 ZINC000038090628 343370333 /nfs/dbraw/zinc/37/03/33/343370333.db2.gz HSBXEOMFSLQABW-SNVBAGLBSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1csc(C[NH2+][C@@H](C)c2ccc(C)o2)n1 ZINC000038090629 188291197 /nfs/dbraw/zinc/29/11/97/188291197.db2.gz HSBXEOMFSLQABW-JTQLQIEISA-N 1 2 236.340 3.204 20 0 BGADLO C[C@H]([NH2+]CC(F)F)c1cccc(Cl)c1 ZINC000038092411 538964549 /nfs/dbraw/zinc/96/45/49/538964549.db2.gz IGZBWKQCFJKHQV-ZETCQYMHSA-N 1 2 219.662 3.256 20 0 BGADLO C[C@@H]([NH2+]CC(F)F)c1cccc(Cl)c1 ZINC000038092412 538964547 /nfs/dbraw/zinc/96/45/47/538964547.db2.gz IGZBWKQCFJKHQV-SSDOTTSWSA-N 1 2 219.662 3.256 20 0 BGADLO C[C@@H](Nc1cccc[nH+]1)C1CCCCC1 ZINC000039039584 343112702 /nfs/dbraw/zinc/11/27/02/343112702.db2.gz IRCOEUBWLSRHKE-LLVKDONJSA-N 1 2 204.317 3.462 20 0 BGADLO c1cn(CC23CC4CC(CC(C4)C2)C3)c[nH+]1 ZINC000039040062 387576256 /nfs/dbraw/zinc/57/62/56/387576256.db2.gz ONUXQVADXWYYEX-UHFFFAOYSA-N 1 2 216.328 3.100 20 0 BGADLO CCOc1cc(C)[nH+]c2c(C)cccc12 ZINC000039099029 343383209 /nfs/dbraw/zinc/38/32/09/343383209.db2.gz RSIKWMZZNBKXFG-UHFFFAOYSA-N 1 2 201.269 3.250 20 0 BGADLO CCOc1ccc([NH2+]CC2CCC2)cc1 ZINC000039099338 170552883 /nfs/dbraw/zinc/55/28/83/170552883.db2.gz ZPVCAEADBLYXJO-UHFFFAOYSA-N 1 2 205.301 3.297 20 0 BGADLO CC(C)[N@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000039209900 346252216 /nfs/dbraw/zinc/25/22/16/346252216.db2.gz SIUZABNSXGJFPG-ZDUSSCGKSA-N 1 2 239.746 3.122 20 0 BGADLO CC(C)[N@@H+]1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000039209900 346252214 /nfs/dbraw/zinc/25/22/14/346252214.db2.gz SIUZABNSXGJFPG-ZDUSSCGKSA-N 1 2 239.746 3.122 20 0 BGADLO CC(C)[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000039209901 346252186 /nfs/dbraw/zinc/25/21/86/346252186.db2.gz SIUZABNSXGJFPG-CYBMUJFWSA-N 1 2 239.746 3.122 20 0 BGADLO CC(C)[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000039209901 346252181 /nfs/dbraw/zinc/25/21/81/346252181.db2.gz SIUZABNSXGJFPG-CYBMUJFWSA-N 1 2 239.746 3.122 20 0 BGADLO FC(F)(F)c1cc[nH+]c(NC2CCC2)c1 ZINC000039325649 387847233 /nfs/dbraw/zinc/84/72/33/387847233.db2.gz RSDCFQUSPYJOHC-UHFFFAOYSA-N 1 2 216.206 3.065 20 0 BGADLO CCCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000039338897 358485937 /nfs/dbraw/zinc/48/59/37/358485937.db2.gz MWWYTFYUDQCWTA-UHFFFAOYSA-N 1 2 243.310 3.001 20 0 BGADLO Clc1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000040419988 356936500 /nfs/dbraw/zinc/93/65/00/356936500.db2.gz MSHOZAHISHRCNS-UHFFFAOYSA-N 1 2 238.743 3.086 20 0 BGADLO Clc1ccccc1C[NH2+]Cc1cscn1 ZINC000040420283 180594885 /nfs/dbraw/zinc/59/48/85/180594885.db2.gz FAXMHAAOKOJFPH-UHFFFAOYSA-N 1 2 238.743 3.086 20 0 BGADLO COc1ccccc1[C@H](C)[NH2+]Cc1cscn1 ZINC000040420801 175351738 /nfs/dbraw/zinc/35/17/38/175351738.db2.gz DNAALOXKMJVYJK-JTQLQIEISA-N 1 2 248.351 3.003 20 0 BGADLO COc1ccccc1[C@@H](C)[NH2+]Cc1cscn1 ZINC000040420802 175344946 /nfs/dbraw/zinc/34/49/46/175344946.db2.gz DNAALOXKMJVYJK-SNVBAGLBSA-N 1 2 248.351 3.003 20 0 BGADLO C[C@H]([NH2+]Cc1cscn1)c1ccccc1F ZINC000040420842 387578888 /nfs/dbraw/zinc/57/88/88/387578888.db2.gz JUTMHILHYCMZQB-VIFPVBQESA-N 1 2 236.315 3.133 20 0 BGADLO C[C@@H]([NH2+]Cc1cscn1)c1ccccc1F ZINC000040420843 358490855 /nfs/dbraw/zinc/49/08/55/358490855.db2.gz JUTMHILHYCMZQB-SECBINFHSA-N 1 2 236.315 3.133 20 0 BGADLO C[C@H]([NH2+]Cc1cscn1)c1cccc(F)c1 ZINC000040420857 387577440 /nfs/dbraw/zinc/57/74/40/387577440.db2.gz AQVLTZFQAYUZHY-VIFPVBQESA-N 1 2 236.315 3.133 20 0 BGADLO C[C@@H]([NH2+]Cc1cscn1)c1cccc(F)c1 ZINC000040420859 358491532 /nfs/dbraw/zinc/49/15/32/358491532.db2.gz AQVLTZFQAYUZHY-SECBINFHSA-N 1 2 236.315 3.133 20 0 BGADLO Clc1ccccc1C[NH2+]Cc1nccs1 ZINC000040443901 350363165 /nfs/dbraw/zinc/36/31/65/350363165.db2.gz FGVLMSZZEAYQLW-UHFFFAOYSA-N 1 2 238.743 3.086 20 0 BGADLO c1csc(C[NH2+]Cc2cc3ccccc3o2)n1 ZINC000040444020 387577792 /nfs/dbraw/zinc/57/77/92/387577792.db2.gz KFAYQMBQZPSEFC-UHFFFAOYSA-N 1 2 244.319 3.179 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nccs2)o1 ZINC000040444077 322831993 /nfs/dbraw/zinc/83/19/93/322831993.db2.gz WTOPMIUICUSBTJ-KOLCDFICSA-N 1 2 248.351 3.149 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2nccs2)o1 ZINC000040444078 384570303 /nfs/dbraw/zinc/57/03/03/384570303.db2.gz WTOPMIUICUSBTJ-ONGXEEELSA-N 1 2 248.351 3.149 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2nccs2)o1 ZINC000040444079 384570571 /nfs/dbraw/zinc/57/05/71/384570571.db2.gz WTOPMIUICUSBTJ-MWLCHTKSSA-N 1 2 248.351 3.149 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2nccs2)o1 ZINC000040444080 322832172 /nfs/dbraw/zinc/83/21/72/322832172.db2.gz WTOPMIUICUSBTJ-GXSJLCMTSA-N 1 2 248.351 3.149 20 0 BGADLO Cc1cc(NCC(C)(C)C)nc(C(C)C)[nH+]1 ZINC000040494082 178156029 /nfs/dbraw/zinc/15/60/29/178156029.db2.gz DRKCYUIJRWZCSM-UHFFFAOYSA-N 1 2 221.348 3.366 20 0 BGADLO Cc1ccc(OC[C@@H](C)Nc2cccc[nH+]2)cc1 ZINC000040500046 633816228 /nfs/dbraw/zinc/81/62/28/633816228.db2.gz BRBJOWFTGVTSOW-CYBMUJFWSA-N 1 2 242.322 3.269 20 0 BGADLO Cc1ccc(OC[C@H](C)Nc2cccc[nH+]2)cc1 ZINC000040500047 633816939 /nfs/dbraw/zinc/81/69/39/633816939.db2.gz BRBJOWFTGVTSOW-ZDUSSCGKSA-N 1 2 242.322 3.269 20 0 BGADLO CCCCOCCNc1ccc2ccccc2[nH+]1 ZINC000040507573 352599065 /nfs/dbraw/zinc/59/90/65/352599065.db2.gz GDAWRGUEWATUIU-UHFFFAOYSA-N 1 2 244.338 3.463 20 0 BGADLO Cc1cc(NCc2ccccc2Cl)nc[nH+]1 ZINC000040727030 178173872 /nfs/dbraw/zinc/17/38/72/178173872.db2.gz JWPXPRURZXWLIF-UHFFFAOYSA-N 1 2 233.702 3.051 20 0 BGADLO Cc1cc(NC2CCCCCCC2)nc[nH+]1 ZINC000040727034 178155403 /nfs/dbraw/zinc/15/54/03/178155403.db2.gz QPTOGSFDPMXZCR-UHFFFAOYSA-N 1 2 219.332 3.310 20 0 BGADLO Cc1cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)nc[nH+]1 ZINC000040727062 187354754 /nfs/dbraw/zinc/35/47/54/187354754.db2.gz MIGKPCZOIIXPDH-ZMLRMANQSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc[nH+]1 ZINC000040727066 352604059 /nfs/dbraw/zinc/60/40/59/352604059.db2.gz MIGKPCZOIIXPDH-ADEWGFFLSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(NCCC2CCCCC2)nc[nH+]1 ZINC000040727279 178158107 /nfs/dbraw/zinc/15/81/07/178158107.db2.gz NRMHTDUJAOKMHX-UHFFFAOYSA-N 1 2 219.332 3.167 20 0 BGADLO CCC1CCC(CNc2cc(C)[nH+]cn2)CC1 ZINC000040727314 358498490 /nfs/dbraw/zinc/49/84/90/358498490.db2.gz UZUFUZUCUUCWSP-UHFFFAOYSA-N 1 2 233.359 3.413 20 0 BGADLO Cc1cc(NCC(C)(C)c2ccccc2)nc[nH+]1 ZINC000040727320 178156445 /nfs/dbraw/zinc/15/64/45/178156445.db2.gz MRMWESQWOSPSJO-UHFFFAOYSA-N 1 2 241.338 3.175 20 0 BGADLO Cc1cc(NCCC2=CCCCC2)nc[nH+]1 ZINC000040727416 178158210 /nfs/dbraw/zinc/15/82/10/178158210.db2.gz LFSYGGRUSJYFMQ-UHFFFAOYSA-N 1 2 217.316 3.087 20 0 BGADLO CCc1cc(NCc2ccc(Cl)cc2)nc[nH+]1 ZINC000040764988 350394569 /nfs/dbraw/zinc/39/45/69/350394569.db2.gz WTSGSNCNPVEUGN-UHFFFAOYSA-N 1 2 247.729 3.305 20 0 BGADLO CCc1cc(N[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000040765009 350394468 /nfs/dbraw/zinc/39/44/68/350394468.db2.gz SUQSGEIHHYMDRL-NSHDSACASA-N 1 2 227.311 3.212 20 0 BGADLO CCc1cc(N[C@H](C)c2ccccc2)nc[nH+]1 ZINC000040765010 350394562 /nfs/dbraw/zinc/39/45/62/350394562.db2.gz SUQSGEIHHYMDRL-LLVKDONJSA-N 1 2 227.311 3.212 20 0 BGADLO CCc1cc(NCc2ccccc2Cl)nc[nH+]1 ZINC000040765026 350394403 /nfs/dbraw/zinc/39/44/03/350394403.db2.gz OFTWGGVMKNEDQN-UHFFFAOYSA-N 1 2 247.729 3.305 20 0 BGADLO CCc1cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)nc[nH+]1 ZINC000040765043 350394465 /nfs/dbraw/zinc/39/44/65/350394465.db2.gz ROMSKRSBOVSUEQ-GMXVVIOVSA-N 1 2 233.359 3.276 20 0 BGADLO CCc1cc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc[nH+]1 ZINC000040765045 350394553 /nfs/dbraw/zinc/39/45/53/350394553.db2.gz ROMSKRSBOVSUEQ-NTZNESFSSA-N 1 2 233.359 3.276 20 0 BGADLO CCc1cc(N[C@@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000040765049 350394667 /nfs/dbraw/zinc/39/46/67/350394667.db2.gz PYEYYXITYVNTAA-CMPLNLGQSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000040765050 350394332 /nfs/dbraw/zinc/39/43/32/350394332.db2.gz PYEYYXITYVNTAA-JQWIXIFHSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000040765051 350394512 /nfs/dbraw/zinc/39/45/12/350394512.db2.gz PYEYYXITYVNTAA-ZYHUDNBSSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000040765052 350394429 /nfs/dbraw/zinc/39/44/29/350394429.db2.gz PYEYYXITYVNTAA-PWSUYJOCSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(NC2CCCCCC2)nc[nH+]1 ZINC000040765079 350394585 /nfs/dbraw/zinc/39/45/85/350394585.db2.gz BIVQXOCVVPNYMS-UHFFFAOYSA-N 1 2 219.332 3.174 20 0 BGADLO CCc1cc(N[C@@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000040765085 350394394 /nfs/dbraw/zinc/39/43/94/350394394.db2.gz GRWBMPHBHYJUJZ-CMPLNLGQSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000040765086 350394575 /nfs/dbraw/zinc/39/45/75/350394575.db2.gz GRWBMPHBHYJUJZ-JQWIXIFHSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000040765087 350394565 /nfs/dbraw/zinc/39/45/65/350394565.db2.gz GRWBMPHBHYJUJZ-ZYHUDNBSSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000040765088 350394384 /nfs/dbraw/zinc/39/43/84/350394384.db2.gz GRWBMPHBHYJUJZ-PWSUYJOCSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(NCC2CCCCC2)nc[nH+]1 ZINC000040765090 350394532 /nfs/dbraw/zinc/39/45/32/350394532.db2.gz GQZNYGCCLUEZJJ-UHFFFAOYSA-N 1 2 219.332 3.031 20 0 BGADLO CCc1cc(NCCCc2ccccc2)nc[nH+]1 ZINC000040765158 350395506 /nfs/dbraw/zinc/39/55/06/350395506.db2.gz SZXMAYBHODAEOI-UHFFFAOYSA-N 1 2 241.338 3.084 20 0 BGADLO CCc1cc(NCCC2CCCC2)nc[nH+]1 ZINC000040765159 350395427 /nfs/dbraw/zinc/39/54/27/350395427.db2.gz APVCVVCMKUUEDO-UHFFFAOYSA-N 1 2 219.332 3.031 20 0 BGADLO CCc1cc(NCCC2CCCCC2)nc[nH+]1 ZINC000040765160 350395450 /nfs/dbraw/zinc/39/54/50/350395450.db2.gz SHZTWZWJQZKRGQ-UHFFFAOYSA-N 1 2 233.359 3.421 20 0 BGADLO CCc1cc(NCCC2=CCCCC2)nc[nH+]1 ZINC000040765227 350395606 /nfs/dbraw/zinc/39/56/06/350395606.db2.gz LKGGEDZGPOLCEZ-UHFFFAOYSA-N 1 2 231.343 3.341 20 0 BGADLO CC(C)C[C@@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000040779311 188042972 /nfs/dbraw/zinc/04/29/72/188042972.db2.gz SIHOGYIJGROXDW-ZDUSSCGKSA-N 1 2 244.338 3.054 20 0 BGADLO CC(C)C[C@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000040779314 188396932 /nfs/dbraw/zinc/39/69/32/188396932.db2.gz SIHOGYIJGROXDW-CYBMUJFWSA-N 1 2 244.338 3.054 20 0 BGADLO COc1ccccc1[C@H](C)[NH2+]Cc1nccs1 ZINC000041011644 175351677 /nfs/dbraw/zinc/35/16/77/175351677.db2.gz BPHNZMGCXCPYDY-JTQLQIEISA-N 1 2 248.351 3.003 20 0 BGADLO COc1ccccc1[C@@H](C)[NH2+]Cc1nccs1 ZINC000041011646 175346186 /nfs/dbraw/zinc/34/61/86/175346186.db2.gz BPHNZMGCXCPYDY-SNVBAGLBSA-N 1 2 248.351 3.003 20 0 BGADLO C[C@H]([NH2+]Cc1nccs1)c1ccccc1F ZINC000041011728 384173624 /nfs/dbraw/zinc/17/36/24/384173624.db2.gz DDLGVWYBXAPDNS-VIFPVBQESA-N 1 2 236.315 3.133 20 0 BGADLO C[C@@H]([NH2+]Cc1nccs1)c1ccccc1F ZINC000041011730 343412454 /nfs/dbraw/zinc/41/24/54/343412454.db2.gz DDLGVWYBXAPDNS-SECBINFHSA-N 1 2 236.315 3.133 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2nccs2)c(C)o1 ZINC000041012412 178229059 /nfs/dbraw/zinc/22/90/59/178229059.db2.gz VLQBGAIIQQOUFL-SECBINFHSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2nccs2)c(C)o1 ZINC000041012414 178251465 /nfs/dbraw/zinc/25/14/65/178251465.db2.gz VLQBGAIIQQOUFL-VIFPVBQESA-N 1 2 236.340 3.204 20 0 BGADLO c1csc(CNc2ccc3ccccc3[nH+]2)n1 ZINC000041013251 387588724 /nfs/dbraw/zinc/58/87/24/387588724.db2.gz SSPCTQGAINZYOL-UHFFFAOYSA-N 1 2 241.319 3.303 20 0 BGADLO CCCc1ccc([C@@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000041014340 358240069 /nfs/dbraw/zinc/24/00/69/358240069.db2.gz SJXYJVNTUPBINU-GFCCVEGCSA-N 1 2 243.354 3.213 20 0 BGADLO CCCc1ccc([C@H](C)[NH2+]Cc2ccn[nH]2)cc1 ZINC000041014343 358240366 /nfs/dbraw/zinc/24/03/66/358240366.db2.gz SJXYJVNTUPBINU-LBPRGKRZSA-N 1 2 243.354 3.213 20 0 BGADLO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccn[nH]2)cc1C ZINC000041014728 358240427 /nfs/dbraw/zinc/24/04/27/358240427.db2.gz GWLMRZCXZWDJFM-CYBMUJFWSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccn[nH]2)cc1C ZINC000041014730 358240297 /nfs/dbraw/zinc/24/02/97/358240297.db2.gz GWLMRZCXZWDJFM-ZDUSSCGKSA-N 1 2 243.354 3.186 20 0 BGADLO CCc1ccc([C@@H](CC)[NH2+]Cc2ccn[nH]2)cc1 ZINC000041014971 358241668 /nfs/dbraw/zinc/24/16/68/358241668.db2.gz ZZTWJPZATZPALI-OAHLLOKOSA-N 1 2 243.354 3.213 20 0 BGADLO CCc1ccc([C@H](CC)[NH2+]Cc2ccn[nH]2)cc1 ZINC000041014974 358241388 /nfs/dbraw/zinc/24/13/88/358241388.db2.gz ZZTWJPZATZPALI-HNNXBMFYSA-N 1 2 243.354 3.213 20 0 BGADLO CCCC[C@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000041015414 358241421 /nfs/dbraw/zinc/24/14/21/358241421.db2.gz QBNHWVZMPNZXIJ-HNNXBMFYSA-N 1 2 243.354 3.431 20 0 BGADLO CCCC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000041015416 358241282 /nfs/dbraw/zinc/24/12/82/358241282.db2.gz QBNHWVZMPNZXIJ-OAHLLOKOSA-N 1 2 243.354 3.431 20 0 BGADLO COc1ccc([NH2+]CC(C)(C)C)c(OC)c1 ZINC000041051075 175151021 /nfs/dbraw/zinc/15/10/21/175151021.db2.gz UKLHFSYGBSCOKM-UHFFFAOYSA-N 1 2 223.316 3.162 20 0 BGADLO C[NH+](C)c1ccc(NCC(C)(C)C)cc1 ZINC000041051246 343413919 /nfs/dbraw/zinc/41/39/19/343413919.db2.gz YFGMXFRXGOWPIZ-UHFFFAOYSA-N 1 2 206.333 3.211 20 0 BGADLO COc1cc(C)ccc1[NH2+]CC(C)(C)C ZINC000041051434 384653380 /nfs/dbraw/zinc/65/33/80/384653380.db2.gz MOAPEWNEBQBKQZ-UHFFFAOYSA-N 1 2 207.317 3.462 20 0 BGADLO CC(C)(C)CNc1cccc(-n2cc[nH+]c2)c1 ZINC000041120319 387591557 /nfs/dbraw/zinc/59/15/57/387591557.db2.gz MQMPNUANTNYYOV-UHFFFAOYSA-N 1 2 229.327 3.330 20 0 BGADLO CC(C)(C)C[NH2+]c1ccc(-n2cccn2)cc1 ZINC000041120393 387591537 /nfs/dbraw/zinc/59/15/37/387591537.db2.gz FJACUOYWNFBHPI-UHFFFAOYSA-N 1 2 229.327 3.330 20 0 BGADLO CC(C)(C)CNc1ccc(N2CCCC2)[nH+]c1 ZINC000041120405 387591649 /nfs/dbraw/zinc/59/16/49/387591649.db2.gz XFXARKYARBNFNB-UHFFFAOYSA-N 1 2 233.359 3.140 20 0 BGADLO COCCOc1ccc([NH2+]CC(C)(C)C)cc1 ZINC000041120637 174369149 /nfs/dbraw/zinc/36/91/49/174369149.db2.gz PCOZTXLJDSAYOC-UHFFFAOYSA-N 1 2 237.343 3.170 20 0 BGADLO CCOc1ccc([NH2+]CC(C)(C)C)cc1CO ZINC000041120943 343415457 /nfs/dbraw/zinc/41/54/57/343415457.db2.gz VXQGUPAHRFZUAQ-UHFFFAOYSA-N 1 2 237.343 3.036 20 0 BGADLO CC(C)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000041210324 487795262 /nfs/dbraw/zinc/79/52/62/487795262.db2.gz LARJCYJAHZSTTB-UHFFFAOYSA-N 1 2 200.285 3.211 20 0 BGADLO CC(C)(C)c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000041210330 411343849 /nfs/dbraw/zinc/34/38/49/411343849.db2.gz DARCFSYZWARYEE-UHFFFAOYSA-N 1 2 200.285 3.374 20 0 BGADLO CC(C)(C)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000041210350 410138659 /nfs/dbraw/zinc/13/86/59/410138659.db2.gz HDXUCBPNAZOBIU-UHFFFAOYSA-N 1 2 200.285 3.374 20 0 BGADLO Cn1cc[nH+]c1-c1ccc(C(C)(C)C)cc1 ZINC000041227700 488104071 /nfs/dbraw/zinc/10/40/71/488104071.db2.gz ZHYHJBXBVYYTET-UHFFFAOYSA-N 1 2 214.312 3.385 20 0 BGADLO COc1ccc(C(C)C)cc1Cn1cc[nH+]c1 ZINC000041256262 488266844 /nfs/dbraw/zinc/26/68/44/488266844.db2.gz CFYYKHPXPUJGIO-UHFFFAOYSA-N 1 2 230.311 3.063 20 0 BGADLO c1cc2c(cc1[NH2+]CC1CCCC1)OCCO2 ZINC000041260699 183368884 /nfs/dbraw/zinc/36/88/84/183368884.db2.gz LNSBXHMZJVGLPV-UHFFFAOYSA-N 1 2 233.311 3.060 20 0 BGADLO c1cn(CCOc2cccc3ccccc32)c[nH+]1 ZINC000041280251 387595954 /nfs/dbraw/zinc/59/59/54/387595954.db2.gz APBPNGMGQJPPKE-UHFFFAOYSA-N 1 2 238.290 3.115 20 0 BGADLO CCC(CC)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000041304875 168341132 /nfs/dbraw/zinc/34/11/32/168341132.db2.gz GYYDAGAWUYULFM-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO C[C@@H]1C[C@H](C)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000041601020 177315688 /nfs/dbraw/zinc/31/56/88/177315688.db2.gz MNHPQMLUFKBOLY-PHIMTYICSA-N 1 2 229.327 3.045 20 0 BGADLO C[C@H]1C[C@H](C)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000041601023 177358245 /nfs/dbraw/zinc/35/82/45/177358245.db2.gz MNHPQMLUFKBOLY-QWRGUYRKSA-N 1 2 229.327 3.045 20 0 BGADLO C[C@@H]1C[C@@H](C)CN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000041601026 176361344 /nfs/dbraw/zinc/36/13/44/176361344.db2.gz MNHPQMLUFKBOLY-GHMZBOCLSA-N 1 2 229.327 3.045 20 0 BGADLO CCc1ccc([C@@H](C)[NH2+]Cc2cn[nH]c2C)s1 ZINC000041632019 384193799 /nfs/dbraw/zinc/19/37/99/384193799.db2.gz QBSRZPSUWSWVOA-SNVBAGLBSA-N 1 2 249.383 3.193 20 0 BGADLO CCc1ccc([C@H](C)[NH2+]Cc2cn[nH]c2C)s1 ZINC000041632022 384193988 /nfs/dbraw/zinc/19/39/88/384193988.db2.gz QBSRZPSUWSWVOA-JTQLQIEISA-N 1 2 249.383 3.193 20 0 BGADLO CCC(CC)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000042060041 168341282 /nfs/dbraw/zinc/34/12/82/168341282.db2.gz LSMNQXQLAANJGY-UHFFFAOYSA-N 1 2 245.326 3.246 20 0 BGADLO C[N@@H+](Cc1csc(C(C)(C)C)n1)C1CC1 ZINC000042123774 384204274 /nfs/dbraw/zinc/20/42/74/384204274.db2.gz BHFHLPCRZGWHCR-UHFFFAOYSA-N 1 2 224.373 3.035 20 0 BGADLO C[N@H+](Cc1csc(C(C)(C)C)n1)C1CC1 ZINC000042123774 384204272 /nfs/dbraw/zinc/20/42/72/384204272.db2.gz BHFHLPCRZGWHCR-UHFFFAOYSA-N 1 2 224.373 3.035 20 0 BGADLO Clc1ccc(CCNc2cccc[nH+]2)cc1 ZINC000042203519 352615422 /nfs/dbraw/zinc/61/54/22/352615422.db2.gz PTWWYKYSZBAZKF-UHFFFAOYSA-N 1 2 232.714 3.390 20 0 BGADLO C[C@@H](CCc1ccco1)Nc1cccc[nH+]1 ZINC000042207854 175688381 /nfs/dbraw/zinc/68/83/81/175688381.db2.gz FWAADEQJFXDLAU-NSHDSACASA-N 1 2 216.284 3.108 20 0 BGADLO C[C@H](CCc1ccco1)Nc1cccc[nH+]1 ZINC000042207857 358519871 /nfs/dbraw/zinc/51/98/71/358519871.db2.gz FWAADEQJFXDLAU-LLVKDONJSA-N 1 2 216.284 3.108 20 0 BGADLO CC(C)(C)CC(C)(C)[NH2+]CC(F)(F)F ZINC000042254706 384635217 /nfs/dbraw/zinc/63/52/17/384635217.db2.gz CFPJSCZUGQDVEC-UHFFFAOYSA-N 1 2 211.271 3.353 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042267796 187231870 /nfs/dbraw/zinc/23/18/70/187231870.db2.gz ADTNXPSBPRIQRF-CYBMUJFWSA-N 1 2 247.367 3.021 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000042267798 387624200 /nfs/dbraw/zinc/62/42/00/387624200.db2.gz ADTNXPSBPRIQRF-ZDUSSCGKSA-N 1 2 247.367 3.021 20 0 BGADLO C[N@@H+](Cc1ccco1)Cc1ccccc1F ZINC000042366676 387628155 /nfs/dbraw/zinc/62/81/55/387628155.db2.gz IDSZAFJWIOVSCH-UHFFFAOYSA-N 1 2 219.259 3.051 20 0 BGADLO C[N@H+](Cc1ccco1)Cc1ccccc1F ZINC000042366676 387628151 /nfs/dbraw/zinc/62/81/51/387628151.db2.gz IDSZAFJWIOVSCH-UHFFFAOYSA-N 1 2 219.259 3.051 20 0 BGADLO Cc1cc(NCCc2ccc(Cl)cc2)nc[nH+]1 ZINC000042396489 178162824 /nfs/dbraw/zinc/16/28/24/178162824.db2.gz IRWWQELKMGHUTQ-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO CCC1CC[NH+](CC(=O)c2ccccc2F)CC1 ZINC000042447153 411010203 /nfs/dbraw/zinc/01/02/03/411010203.db2.gz JNZZODGJJWAHHC-UHFFFAOYSA-N 1 2 249.329 3.130 20 0 BGADLO CCCCC[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000042571746 344459355 /nfs/dbraw/zinc/45/93/55/344459355.db2.gz HFZYWXXNEYHOHA-SNVBAGLBSA-N 1 2 207.321 3.166 20 0 BGADLO CCCCC[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000042571748 344459184 /nfs/dbraw/zinc/45/91/84/344459184.db2.gz HFZYWXXNEYHOHA-JTQLQIEISA-N 1 2 207.321 3.166 20 0 BGADLO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(F)(F)F ZINC000042579373 322838768 /nfs/dbraw/zinc/83/87/68/322838768.db2.gz BDCQQYSRJUOQKL-BDAKNGLRSA-N 1 2 209.255 3.107 20 0 BGADLO CC[C@H]1CCCC[C@@H]1[NH2+]CC(F)(F)F ZINC000042579376 322975091 /nfs/dbraw/zinc/97/50/91/322975091.db2.gz BDCQQYSRJUOQKL-IUCAKERBSA-N 1 2 209.255 3.107 20 0 BGADLO CC[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)F ZINC000042579379 384643510 /nfs/dbraw/zinc/64/35/10/384643510.db2.gz BDCQQYSRJUOQKL-RKDXNWHRSA-N 1 2 209.255 3.107 20 0 BGADLO CC[C@H]1CCCC[C@H]1[NH2+]CC(F)(F)F ZINC000042579382 322838707 /nfs/dbraw/zinc/83/87/07/322838707.db2.gz BDCQQYSRJUOQKL-DTWKUNHWSA-N 1 2 209.255 3.107 20 0 BGADLO CC[C@@H]1CCCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000042580942 358527170 /nfs/dbraw/zinc/52/71/70/358527170.db2.gz FGRHCOWOWVVRHS-NEPJUHHUSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@H]1CCCC[C@@H]1Nc1cc(C)[nH+]cn1 ZINC000042580945 358527617 /nfs/dbraw/zinc/52/76/17/358527617.db2.gz FGRHCOWOWVVRHS-RYUDHWBXSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000042580948 170970757 /nfs/dbraw/zinc/97/07/57/170970757.db2.gz FGRHCOWOWVVRHS-VXGBXAGGSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@H]1CCCC[C@H]1Nc1cc(C)[nH+]cn1 ZINC000042580951 171612636 /nfs/dbraw/zinc/61/26/36/171612636.db2.gz FGRHCOWOWVVRHS-NWDGAFQWSA-N 1 2 219.332 3.166 20 0 BGADLO CCc1cc(N[C@@H]2CCCC[C@@H]2CC)nc[nH+]1 ZINC000042580954 342778756 /nfs/dbraw/zinc/77/87/56/342778756.db2.gz AABYBKAHXDXNRR-WCQYABFASA-N 1 2 233.359 3.420 20 0 BGADLO CCc1cc(N[C@H]2CCCC[C@@H]2CC)nc[nH+]1 ZINC000042580957 342778750 /nfs/dbraw/zinc/77/87/50/342778750.db2.gz AABYBKAHXDXNRR-AAEUAGOBSA-N 1 2 233.359 3.420 20 0 BGADLO CCc1cc(N[C@@H]2CCCC[C@H]2CC)nc[nH+]1 ZINC000042580960 343444429 /nfs/dbraw/zinc/44/44/29/343444429.db2.gz AABYBKAHXDXNRR-DGCLKSJQSA-N 1 2 233.359 3.420 20 0 BGADLO CCc1cc(N[C@H]2CCCC[C@H]2CC)nc[nH+]1 ZINC000042580963 342778990 /nfs/dbraw/zinc/77/89/90/342778990.db2.gz AABYBKAHXDXNRR-YPMHNXCESA-N 1 2 233.359 3.420 20 0 BGADLO CCC1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000042581107 352623287 /nfs/dbraw/zinc/62/32/87/352623287.db2.gz RSIMAPLAYXITSL-UHFFFAOYSA-N 1 2 219.332 3.166 20 0 BGADLO C[C@H]([NH2+]CC(F)F)c1ccc(Cl)s1 ZINC000042587584 538978049 /nfs/dbraw/zinc/97/80/49/538978049.db2.gz VIVBSAMWTBEJAS-YFKPBYRVSA-N 1 2 225.691 3.317 20 0 BGADLO C[C@@H]([NH2+]CC(F)F)c1ccc(Cl)s1 ZINC000042587588 538978336 /nfs/dbraw/zinc/97/83/36/538978336.db2.gz VIVBSAMWTBEJAS-RXMQYKEDSA-N 1 2 225.691 3.317 20 0 BGADLO Cc1cc(N[C@@H](C)CCCC(C)C)nc[nH+]1 ZINC000042591306 188042565 /nfs/dbraw/zinc/04/25/65/188042565.db2.gz DDFJLXWGXPZAFQ-NSHDSACASA-N 1 2 221.348 3.412 20 0 BGADLO Cc1cc(N[C@H](C)CCCC(C)C)nc[nH+]1 ZINC000042591309 178185380 /nfs/dbraw/zinc/18/53/80/178185380.db2.gz DDFJLXWGXPZAFQ-LLVKDONJSA-N 1 2 221.348 3.412 20 0 BGADLO CCc1nc(C[N@@H+](C)Cc2ccccc2)cs1 ZINC000042625718 368315911 /nfs/dbraw/zinc/31/59/11/368315911.db2.gz VYTNPTWDIPLWKL-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CCc1nc(C[N@H+](C)Cc2ccccc2)cs1 ZINC000042625718 368315907 /nfs/dbraw/zinc/31/59/07/368315907.db2.gz VYTNPTWDIPLWKL-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO c1ccc2[nH+]c(NC[C@@H]3CCCCO3)ccc2c1 ZINC000042822768 384247908 /nfs/dbraw/zinc/24/79/08/384247908.db2.gz UTTQKLSMEWMANM-ZDUSSCGKSA-N 1 2 242.322 3.216 20 0 BGADLO c1ccc2[nH+]c(NC[C@H]3CCCCO3)ccc2c1 ZINC000042822772 183458245 /nfs/dbraw/zinc/45/82/45/183458245.db2.gz UTTQKLSMEWMANM-CYBMUJFWSA-N 1 2 242.322 3.216 20 0 BGADLO Cc1cc(NC[C@@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000042864665 178164760 /nfs/dbraw/zinc/16/47/60/178164760.db2.gz PGFHOVJGTUMZQB-JQWIXIFHSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1cc(NC[C@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000042864668 178168402 /nfs/dbraw/zinc/16/84/02/178168402.db2.gz PGFHOVJGTUMZQB-CMPLNLGQSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1cc(NC[C@@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000042864671 178166363 /nfs/dbraw/zinc/16/63/63/178166363.db2.gz PGFHOVJGTUMZQB-PWSUYJOCSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1cc(NC[C@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000042864674 178168681 /nfs/dbraw/zinc/16/86/81/178168681.db2.gz PGFHOVJGTUMZQB-ZYHUDNBSSA-N 1 2 219.332 3.023 20 0 BGADLO CCc1cc(NC[C@@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000042864677 342784361 /nfs/dbraw/zinc/78/43/61/342784361.db2.gz XQGFRIHWUMDNDX-RYUDHWBXSA-N 1 2 233.359 3.277 20 0 BGADLO CCc1cc(NC[C@H]2CCCC[C@@H]2C)nc[nH+]1 ZINC000042864680 342784284 /nfs/dbraw/zinc/78/42/84/342784284.db2.gz XQGFRIHWUMDNDX-NWDGAFQWSA-N 1 2 233.359 3.277 20 0 BGADLO CCc1cc(NC[C@@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000042864682 342784477 /nfs/dbraw/zinc/78/44/77/342784477.db2.gz XQGFRIHWUMDNDX-NEPJUHHUSA-N 1 2 233.359 3.277 20 0 BGADLO CCc1cc(NC[C@H]2CCCC[C@H]2C)nc[nH+]1 ZINC000042864685 342784242 /nfs/dbraw/zinc/78/42/42/342784242.db2.gz XQGFRIHWUMDNDX-VXGBXAGGSA-N 1 2 233.359 3.277 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccccc2C)cs1 ZINC000042977370 343461668 /nfs/dbraw/zinc/46/16/68/343461668.db2.gz WSOMYOINSJKXQN-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccccc2C)cs1 ZINC000042977370 343461666 /nfs/dbraw/zinc/46/16/66/343461666.db2.gz WSOMYOINSJKXQN-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccc(C)cc2)cs1 ZINC000042977495 343462078 /nfs/dbraw/zinc/46/20/78/343462078.db2.gz NWFQULYBYMGBEP-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccc(C)cc2)cs1 ZINC000042977495 343462075 /nfs/dbraw/zinc/46/20/75/343462075.db2.gz NWFQULYBYMGBEP-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2ccccc2F)o1 ZINC000042978230 348988761 /nfs/dbraw/zinc/98/87/61/348988761.db2.gz IEDWXHUHTUDBLN-UHFFFAOYSA-N 1 2 233.286 3.359 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2ccccc2F)o1 ZINC000042978230 348988757 /nfs/dbraw/zinc/98/87/57/348988757.db2.gz IEDWXHUHTUDBLN-UHFFFAOYSA-N 1 2 233.286 3.359 20 0 BGADLO Cc1cc(C[N@@H+](Cc2ccccc2)C2CC2)no1 ZINC000043643303 350068568 /nfs/dbraw/zinc/06/85/68/350068568.db2.gz OZYBUZGMNIUAJF-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO Cc1cc(C[N@H+](Cc2ccccc2)C2CC2)no1 ZINC000043643303 350068565 /nfs/dbraw/zinc/06/85/65/350068565.db2.gz OZYBUZGMNIUAJF-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO CC[N@@H+](CC[C@@H](C)O)c1cccc2ccccc21 ZINC000044123785 487865282 /nfs/dbraw/zinc/86/52/82/487865282.db2.gz WBFXRBOPZRCUKP-CYBMUJFWSA-N 1 2 243.350 3.437 20 0 BGADLO CC[N@H+](CC[C@@H](C)O)c1cccc2ccccc21 ZINC000044123785 487865278 /nfs/dbraw/zinc/86/52/78/487865278.db2.gz WBFXRBOPZRCUKP-CYBMUJFWSA-N 1 2 243.350 3.437 20 0 BGADLO CC[N@@H+](CC[C@H](C)O)c1cccc2ccccc21 ZINC000044123790 487865009 /nfs/dbraw/zinc/86/50/09/487865009.db2.gz WBFXRBOPZRCUKP-ZDUSSCGKSA-N 1 2 243.350 3.437 20 0 BGADLO CC[N@H+](CC[C@H](C)O)c1cccc2ccccc21 ZINC000044123790 487865006 /nfs/dbraw/zinc/86/50/06/487865006.db2.gz WBFXRBOPZRCUKP-ZDUSSCGKSA-N 1 2 243.350 3.437 20 0 BGADLO CCC1CCC(Nc2cccc[nH+]2)CC1 ZINC000044346621 344539427 /nfs/dbraw/zinc/53/94/27/344539427.db2.gz XXPOIQMVJMKWEG-UHFFFAOYSA-N 1 2 204.317 3.462 20 0 BGADLO COCCCCNc1ccc2ccccc2[nH+]1 ZINC000044349018 384655734 /nfs/dbraw/zinc/65/57/34/384655734.db2.gz HXQUBRSPMWQOFP-UHFFFAOYSA-N 1 2 230.311 3.073 20 0 BGADLO C[C@@H](Cc1ccsc1)Nc1cccc[nH+]1 ZINC000044367594 322841376 /nfs/dbraw/zinc/84/13/76/322841376.db2.gz ZUJRORKMYZGXNG-JTQLQIEISA-N 1 2 218.325 3.186 20 0 BGADLO C[C@H](Cc1ccsc1)Nc1cccc[nH+]1 ZINC000044367599 384655667 /nfs/dbraw/zinc/65/56/67/384655667.db2.gz ZUJRORKMYZGXNG-SNVBAGLBSA-N 1 2 218.325 3.186 20 0 BGADLO Cc1cc(N[C@@H]2CC2(C)C)nc(C(C)C)[nH+]1 ZINC000044368123 178180327 /nfs/dbraw/zinc/18/03/27/178180327.db2.gz LDVAKRXKNPRJTI-SNVBAGLBSA-N 1 2 219.332 3.119 20 0 BGADLO Cc1cc(N[C@H]2CC2(C)C)nc(C(C)C)[nH+]1 ZINC000044368128 178188812 /nfs/dbraw/zinc/18/88/12/178188812.db2.gz LDVAKRXKNPRJTI-JTQLQIEISA-N 1 2 219.332 3.119 20 0 BGADLO CC1(C)C[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000044368297 358548326 /nfs/dbraw/zinc/54/83/26/358548326.db2.gz DLYXZOARDMIDQM-LBPRGKRZSA-N 1 2 212.296 3.445 20 0 BGADLO CC1(C)C[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000044368302 187394615 /nfs/dbraw/zinc/39/46/15/187394615.db2.gz DLYXZOARDMIDQM-GFCCVEGCSA-N 1 2 212.296 3.445 20 0 BGADLO Cc1cc(CNc2ccc3ccccc3[nH+]2)no1 ZINC000044416208 322842102 /nfs/dbraw/zinc/84/21/02/322842102.db2.gz JSFKQECSPUKYDM-UHFFFAOYSA-N 1 2 239.278 3.143 20 0 BGADLO C[C@@H]1CCCC[C@@H]1CNc1cccc[nH+]1 ZINC000044417160 176077893 /nfs/dbraw/zinc/07/78/93/176077893.db2.gz QMHQTKRGNWWOKE-VXGBXAGGSA-N 1 2 204.317 3.320 20 0 BGADLO C[C@H]1CCCC[C@@H]1CNc1cccc[nH+]1 ZINC000044417163 177080984 /nfs/dbraw/zinc/08/09/84/177080984.db2.gz QMHQTKRGNWWOKE-NWDGAFQWSA-N 1 2 204.317 3.320 20 0 BGADLO C[C@@H]1CCCC[C@H]1CNc1cccc[nH+]1 ZINC000044417167 176085365 /nfs/dbraw/zinc/08/53/65/176085365.db2.gz QMHQTKRGNWWOKE-NEPJUHHUSA-N 1 2 204.317 3.320 20 0 BGADLO C[C@H]1CCCC[C@H]1CNc1cccc[nH+]1 ZINC000044417170 177086394 /nfs/dbraw/zinc/08/63/94/177086394.db2.gz QMHQTKRGNWWOKE-RYUDHWBXSA-N 1 2 204.317 3.320 20 0 BGADLO C=C(Cl)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438562 641601218 /nfs/dbraw/zinc/60/12/18/641601218.db2.gz ZRVLQARQJXCTDC-UHFFFAOYSA-N 1 2 231.673 3.149 20 0 BGADLO C=C(Cl)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000044438562 641601216 /nfs/dbraw/zinc/60/12/16/641601216.db2.gz ZRVLQARQJXCTDC-UHFFFAOYSA-N 1 2 231.673 3.149 20 0 BGADLO Cc1cc(N[C@@H](C)CCc2ccccc2)nc[nH+]1 ZINC000044482789 178179272 /nfs/dbraw/zinc/17/92/72/178179272.db2.gz QKNNKLVGAGSLGG-LBPRGKRZSA-N 1 2 241.338 3.218 20 0 BGADLO Cc1cc(N[C@H](C)CCc2ccccc2)nc[nH+]1 ZINC000044482790 178186522 /nfs/dbraw/zinc/18/65/22/178186522.db2.gz QKNNKLVGAGSLGG-GFCCVEGCSA-N 1 2 241.338 3.218 20 0 BGADLO CCc1cc(N[C@@H]2C[C@@H]2c2ccccc2)nc[nH+]1 ZINC000044677684 398129032 /nfs/dbraw/zinc/12/90/32/398129032.db2.gz QTBNBUBBPBRYHN-ZIAGYGMSSA-N 1 2 239.322 3.007 20 0 BGADLO CCc1cc(N[C@H]2C[C@@H]2c2ccccc2)nc[nH+]1 ZINC000044677685 398129056 /nfs/dbraw/zinc/12/90/56/398129056.db2.gz QTBNBUBBPBRYHN-KGLIPLIRSA-N 1 2 239.322 3.007 20 0 BGADLO CCc1cc(N[C@@H]2C[C@H]2c2ccccc2)nc[nH+]1 ZINC000044677686 398129073 /nfs/dbraw/zinc/12/90/73/398129073.db2.gz QTBNBUBBPBRYHN-UONOGXRCSA-N 1 2 239.322 3.007 20 0 BGADLO CCc1cc(N[C@H]2C[C@H]2c2ccccc2)nc[nH+]1 ZINC000044677687 398128958 /nfs/dbraw/zinc/12/89/58/398128958.db2.gz QTBNBUBBPBRYHN-KBPBESRZSA-N 1 2 239.322 3.007 20 0 BGADLO Cc1cc(C[NH2+]Cc2cc3ccccc3o2)no1 ZINC000044692487 411139398 /nfs/dbraw/zinc/13/93/98/411139398.db2.gz ITSCJKDOWXWMBS-UHFFFAOYSA-N 1 2 242.278 3.019 20 0 BGADLO Cc1cc(C[NH2+][C@@H](C)c2cc(C)oc2C)no1 ZINC000044692622 178030889 /nfs/dbraw/zinc/03/08/89/178030889.db2.gz BSKRZBPRFMIBME-JTQLQIEISA-N 1 2 234.299 3.044 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)c2cc(C)oc2C)no1 ZINC000044692624 178038589 /nfs/dbraw/zinc/03/85/89/178038589.db2.gz BSKRZBPRFMIBME-SNVBAGLBSA-N 1 2 234.299 3.044 20 0 BGADLO CCOC[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000044726076 322843371 /nfs/dbraw/zinc/84/33/71/322843371.db2.gz LXVQWWPMAAEVOD-NSHDSACASA-N 1 2 230.311 3.072 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2cscn2)c(C)o1 ZINC000044730027 178229827 /nfs/dbraw/zinc/22/98/27/178229827.db2.gz VILWLBKOMSFFCK-SECBINFHSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2cscn2)c(C)o1 ZINC000044730028 178252606 /nfs/dbraw/zinc/25/26/06/178252606.db2.gz VILWLBKOMSFFCK-VIFPVBQESA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2nc(C)c(C)o2)c(C)o1 ZINC000044730191 178229234 /nfs/dbraw/zinc/22/92/34/178229234.db2.gz MDOUWYVZSSLHFT-SNVBAGLBSA-N 1 2 248.326 3.352 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2nc(C)c(C)o2)c(C)o1 ZINC000044730192 178252231 /nfs/dbraw/zinc/25/22/31/178252231.db2.gz MDOUWYVZSSLHFT-JTQLQIEISA-N 1 2 248.326 3.352 20 0 BGADLO Cc1cc([C@H](C)Nc2cc(C)[nH+]cn2)c(C)o1 ZINC000044730793 178179332 /nfs/dbraw/zinc/17/93/32/178179332.db2.gz SASCFHDDEOOYNY-JTQLQIEISA-N 1 2 231.299 3.168 20 0 BGADLO Cc1cc([C@@H](C)Nc2cc(C)[nH+]cn2)c(C)o1 ZINC000044730794 178187545 /nfs/dbraw/zinc/18/75/45/178187545.db2.gz SASCFHDDEOOYNY-SNVBAGLBSA-N 1 2 231.299 3.168 20 0 BGADLO Cc1cc([C@@H](C)Nc2cccc[nH+]2)c(C)o1 ZINC000044730813 178234939 /nfs/dbraw/zinc/23/49/39/178234939.db2.gz ILFCDGVVIQGEDQ-SNVBAGLBSA-N 1 2 216.284 3.465 20 0 BGADLO Cc1cc([C@H](C)Nc2cccc[nH+]2)c(C)o1 ZINC000044730814 178259454 /nfs/dbraw/zinc/25/94/54/178259454.db2.gz ILFCDGVVIQGEDQ-JTQLQIEISA-N 1 2 216.284 3.465 20 0 BGADLO CC(C)=CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000044736677 387941770 /nfs/dbraw/zinc/94/17/70/387941770.db2.gz UDNSEQATKMAUBL-HNNXBMFYSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000044736677 387941764 /nfs/dbraw/zinc/94/17/64/387941764.db2.gz UDNSEQATKMAUBL-HNNXBMFYSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000044736679 387942376 /nfs/dbraw/zinc/94/23/76/387942376.db2.gz UDNSEQATKMAUBL-OAHLLOKOSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000044736679 387942371 /nfs/dbraw/zinc/94/23/71/387942371.db2.gz UDNSEQATKMAUBL-OAHLLOKOSA-N 1 2 249.329 3.165 20 0 BGADLO Cc1cc(CNc2ccc3ccccc3[nH+]2)on1 ZINC000044995792 178042742 /nfs/dbraw/zinc/04/27/42/178042742.db2.gz HSEMDULZYHCRKY-UHFFFAOYSA-N 1 2 239.278 3.143 20 0 BGADLO C=C(Cl)C[N@@H+](Cc1cccs1)C1CC1 ZINC000045006998 640487946 /nfs/dbraw/zinc/48/79/46/640487946.db2.gz MRGVFOPURCLLRG-UHFFFAOYSA-N 1 2 227.760 3.465 20 0 BGADLO C=C(Cl)C[N@H+](Cc1cccs1)C1CC1 ZINC000045006998 640487939 /nfs/dbraw/zinc/48/79/39/640487939.db2.gz MRGVFOPURCLLRG-UHFFFAOYSA-N 1 2 227.760 3.465 20 0 BGADLO COCC[C@H](C)[NH2+]c1ccc(OC(C)C)cc1 ZINC000045018908 384369272 /nfs/dbraw/zinc/36/92/72/384369272.db2.gz JXJDPVUIZPXKCS-LBPRGKRZSA-N 1 2 237.343 3.311 20 0 BGADLO COCC[C@@H](C)[NH2+]c1ccc(OC(C)C)cc1 ZINC000045018910 174386329 /nfs/dbraw/zinc/38/63/29/174386329.db2.gz JXJDPVUIZPXKCS-GFCCVEGCSA-N 1 2 237.343 3.311 20 0 BGADLO COCC[C@H](C)[NH2+]c1ccc(N2CCCC2)cc1 ZINC000045023961 384369999 /nfs/dbraw/zinc/36/99/99/384369999.db2.gz IXMWXZDCQQJSPE-ZDUSSCGKSA-N 1 2 248.370 3.124 20 0 BGADLO COCC[C@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000045023961 384369992 /nfs/dbraw/zinc/36/99/92/384369992.db2.gz IXMWXZDCQQJSPE-ZDUSSCGKSA-N 1 2 248.370 3.124 20 0 BGADLO COCC[C@@H](C)[NH2+]c1ccc(N2CCCC2)cc1 ZINC000045023963 174385943 /nfs/dbraw/zinc/38/59/43/174385943.db2.gz IXMWXZDCQQJSPE-CYBMUJFWSA-N 1 2 248.370 3.124 20 0 BGADLO COCC[C@@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000045023963 174385940 /nfs/dbraw/zinc/38/59/40/174385940.db2.gz IXMWXZDCQQJSPE-CYBMUJFWSA-N 1 2 248.370 3.124 20 0 BGADLO CCOc1ccc([NH2+][C@@H](C)CCOC)c(C)c1 ZINC000045036895 343522086 /nfs/dbraw/zinc/52/20/86/343522086.db2.gz VSQJUBVGUOMZPO-LBPRGKRZSA-N 1 2 237.343 3.231 20 0 BGADLO CCOc1ccc([NH2+][C@H](C)CCOC)c(C)c1 ZINC000045036898 343522056 /nfs/dbraw/zinc/52/20/56/343522056.db2.gz VSQJUBVGUOMZPO-GFCCVEGCSA-N 1 2 237.343 3.231 20 0 BGADLO CC(C)c1ccc(C[NH2+]CC(F)F)cc1 ZINC000045045086 384665120 /nfs/dbraw/zinc/66/51/20/384665120.db2.gz KRWNQZXMWWWAQI-UHFFFAOYSA-N 1 2 213.271 3.165 20 0 BGADLO C[C@H]([NH2+]Cc1ccco1)c1nc2c(s1)CCC2 ZINC000045205914 386641759 /nfs/dbraw/zinc/64/17/59/386641759.db2.gz SVGVFMBGNIWTQP-VIFPVBQESA-N 1 2 248.351 3.076 20 0 BGADLO C[C@@H]([NH2+]Cc1ccco1)c1nc2c(s1)CCC2 ZINC000045205915 175902428 /nfs/dbraw/zinc/90/24/28/175902428.db2.gz SVGVFMBGNIWTQP-SECBINFHSA-N 1 2 248.351 3.076 20 0 BGADLO CC[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)CCO1 ZINC000045752406 358415919 /nfs/dbraw/zinc/41/59/19/358415919.db2.gz RVGNAJHJGSSLEH-SECBINFHSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1C[N@H+](Cc2ccc(Cl)s2)CCO1 ZINC000045752406 358415918 /nfs/dbraw/zinc/41/59/18/358415918.db2.gz RVGNAJHJGSSLEH-SECBINFHSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1C[N@@H+](Cc2ccc(Cl)s2)CCO1 ZINC000045752407 358416259 /nfs/dbraw/zinc/41/62/59/358416259.db2.gz RVGNAJHJGSSLEH-VIFPVBQESA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1C[N@H+](Cc2ccc(Cl)s2)CCO1 ZINC000045752407 358416257 /nfs/dbraw/zinc/41/62/57/358416257.db2.gz RVGNAJHJGSSLEH-VIFPVBQESA-N 1 2 245.775 3.012 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)[C@H](C)CO1 ZINC000045784964 368431636 /nfs/dbraw/zinc/43/16/36/368431636.db2.gz PHWSNTRVJZJDQQ-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)[C@H](C)CO1 ZINC000045784964 368431633 /nfs/dbraw/zinc/43/16/33/368431633.db2.gz PHWSNTRVJZJDQQ-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(Cl)s1 ZINC000045784967 368431620 /nfs/dbraw/zinc/43/16/20/368431620.db2.gz PHWSNTRVJZJDQQ-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(Cl)s1 ZINC000045784967 368431618 /nfs/dbraw/zinc/43/16/18/368431618.db2.gz PHWSNTRVJZJDQQ-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C=CC[N@H+](CC(=C)Cl)Cc1ccccc1 ZINC000045840893 640671821 /nfs/dbraw/zinc/67/18/21/640671821.db2.gz AAMMPXLTDFGGMU-UHFFFAOYSA-N 1 2 221.731 3.427 20 0 BGADLO C=CC[N@@H+](CC(=C)Cl)Cc1ccccc1 ZINC000045840893 640671815 /nfs/dbraw/zinc/67/18/15/640671815.db2.gz AAMMPXLTDFGGMU-UHFFFAOYSA-N 1 2 221.731 3.427 20 0 BGADLO CCCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105721 168627305 /nfs/dbraw/zinc/62/73/05/168627305.db2.gz HCEFKMZZWMWDTH-UHFFFAOYSA-N 1 2 243.310 3.001 20 0 BGADLO Clc1cc2cccnc2c(Cn2cc[nH+]c2)c1 ZINC000046503860 358578319 /nfs/dbraw/zinc/57/83/19/358578319.db2.gz SNTPUCBRECJBMD-UHFFFAOYSA-N 1 2 243.697 3.133 20 0 BGADLO CCCCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000047831084 386110905 /nfs/dbraw/zinc/11/09/05/386110905.db2.gz QMWMDWMLORKZKE-UHFFFAOYSA-N 1 2 243.310 3.205 20 0 BGADLO CC(C)CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000047831124 411164666 /nfs/dbraw/zinc/16/46/66/411164666.db2.gz WFLODZMJIHVMOV-UHFFFAOYSA-N 1 2 243.310 3.061 20 0 BGADLO CC(C)C[N@@H+](Cc1nnsc1Cl)C(C)C ZINC000047878686 384682648 /nfs/dbraw/zinc/68/26/48/384682648.db2.gz LHNYZTHQGSALQY-UHFFFAOYSA-N 1 2 247.795 3.058 20 0 BGADLO CC(C)C[N@H+](Cc1nnsc1Cl)C(C)C ZINC000047878686 384682641 /nfs/dbraw/zinc/68/26/41/384682641.db2.gz LHNYZTHQGSALQY-UHFFFAOYSA-N 1 2 247.795 3.058 20 0 BGADLO CCCCc1nc(C[N@@H+](C)C2CC2)cs1 ZINC000047921535 343567992 /nfs/dbraw/zinc/56/79/92/343567992.db2.gz XHLKAIHFMUBRLL-UHFFFAOYSA-N 1 2 224.373 3.080 20 0 BGADLO CCCCc1nc(C[N@H+](C)C2CC2)cs1 ZINC000047921535 343567990 /nfs/dbraw/zinc/56/79/90/343567990.db2.gz XHLKAIHFMUBRLL-UHFFFAOYSA-N 1 2 224.373 3.080 20 0 BGADLO c1ccc2[nH+]c(NCCc3ccncc3)ccc2c1 ZINC000048262679 383843592 /nfs/dbraw/zinc/84/35/92/383843592.db2.gz ZDGHPULFDJQLJK-UHFFFAOYSA-N 1 2 249.317 3.284 20 0 BGADLO Cc1ccc(CNc2cccc[nH+]2)s1 ZINC000048330170 353156476 /nfs/dbraw/zinc/15/64/76/353156476.db2.gz MUQFNHZGUIGBHL-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO CC[C@@H]1CCCC[C@@H]1Nc1cccc[nH+]1 ZINC000048336268 384676841 /nfs/dbraw/zinc/67/68/41/384676841.db2.gz SNHBORPYFJNCES-NEPJUHHUSA-N 1 2 204.317 3.462 20 0 BGADLO CC[C@H]1CCCC[C@@H]1Nc1cccc[nH+]1 ZINC000048336269 384675242 /nfs/dbraw/zinc/67/52/42/384675242.db2.gz SNHBORPYFJNCES-RYUDHWBXSA-N 1 2 204.317 3.462 20 0 BGADLO CC[C@@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000048336271 322845799 /nfs/dbraw/zinc/84/57/99/322845799.db2.gz SNHBORPYFJNCES-VXGBXAGGSA-N 1 2 204.317 3.462 20 0 BGADLO CC[C@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000048336273 322845771 /nfs/dbraw/zinc/84/57/71/322845771.db2.gz SNHBORPYFJNCES-NWDGAFQWSA-N 1 2 204.317 3.462 20 0 BGADLO Cc1cc(N)nc(SCC2CCCCC2)[nH+]1 ZINC000048397723 323153398 /nfs/dbraw/zinc/15/33/98/323153398.db2.gz NFEIGNATZZPVMQ-UHFFFAOYSA-N 1 2 237.372 3.040 20 0 BGADLO Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)o1 ZINC000048463018 490185741 /nfs/dbraw/zinc/18/57/41/490185741.db2.gz DPFBAMJUTJMNJY-UHFFFAOYSA-N 1 2 225.675 3.124 20 0 BGADLO Clc1ccc(Cn2cc[nH+]c2)c2ncccc12 ZINC000048561640 358640888 /nfs/dbraw/zinc/64/08/88/358640888.db2.gz FSJLCGNGRHVICX-UHFFFAOYSA-N 1 2 243.697 3.133 20 0 BGADLO Clc1ccc2cccnc2c1Cn1cc[nH+]c1 ZINC000048561643 358640768 /nfs/dbraw/zinc/64/07/68/358640768.db2.gz AMUNTKMFYJYNRJ-UHFFFAOYSA-N 1 2 243.697 3.133 20 0 BGADLO CCc1[nH+]c2cc3c(cc2c(C)c1C)OCO3 ZINC000048607390 411207213 /nfs/dbraw/zinc/20/72/13/411207213.db2.gz VCTSOVLYTGCUAF-UHFFFAOYSA-N 1 2 229.279 3.143 20 0 BGADLO C[C@H](Nc1cccc[nH+]1)c1nc2ccccc2[nH]1 ZINC000049065620 353158907 /nfs/dbraw/zinc/15/89/07/353158907.db2.gz SJPSRGCXWWCABV-JTQLQIEISA-N 1 2 238.294 3.131 20 0 BGADLO C[C@@H](Nc1cccc[nH+]1)c1nc2ccccc2[nH]1 ZINC000049065621 353159074 /nfs/dbraw/zinc/15/90/74/353159074.db2.gz SJPSRGCXWWCABV-SNVBAGLBSA-N 1 2 238.294 3.131 20 0 BGADLO CCc1cc(N[C@@H](C)Cc2ccsc2)nc[nH+]1 ZINC000049184299 355935768 /nfs/dbraw/zinc/93/57/68/355935768.db2.gz ZTWINEGMUZJARR-JTQLQIEISA-N 1 2 247.367 3.144 20 0 BGADLO CCc1cc(N[C@H](C)Cc2ccsc2)nc[nH+]1 ZINC000049184300 355936013 /nfs/dbraw/zinc/93/60/13/355936013.db2.gz ZTWINEGMUZJARR-SNVBAGLBSA-N 1 2 247.367 3.144 20 0 BGADLO Cc1ccc([C@@H](C)Nc2cc(C)[nH+]cn2)s1 ZINC000049184395 178186978 /nfs/dbraw/zinc/18/69/78/178186978.db2.gz XOOLJJPPUMDCSU-SNVBAGLBSA-N 1 2 233.340 3.328 20 0 BGADLO Cc1ccc([C@H](C)Nc2cc(C)[nH+]cn2)s1 ZINC000049184396 178178872 /nfs/dbraw/zinc/17/88/72/178178872.db2.gz XOOLJJPPUMDCSU-JTQLQIEISA-N 1 2 233.340 3.328 20 0 BGADLO CCCCc1[nH]c2ccc(NC(=O)CC)cc2[nH+]1 ZINC000049486888 169027590 /nfs/dbraw/zinc/02/75/90/169027590.db2.gz LXPYNQSTIQDRPU-UHFFFAOYSA-N 1 2 245.326 3.254 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]CC(F)F)c(C)s1 ZINC000049506746 539008773 /nfs/dbraw/zinc/00/87/73/539008773.db2.gz FRWAOXMUDYCXIW-SSDOTTSWSA-N 1 2 219.300 3.281 20 0 BGADLO Cc1cc([C@H](C)[NH2+]CC(F)F)c(C)s1 ZINC000049506748 539008852 /nfs/dbraw/zinc/00/88/52/539008852.db2.gz FRWAOXMUDYCXIW-ZETCQYMHSA-N 1 2 219.300 3.281 20 0 BGADLO C[C@H]([NH2+]CC(F)F)c1ccc(Cl)cc1 ZINC000049525528 383931255 /nfs/dbraw/zinc/93/12/55/383931255.db2.gz ZWQBTDSGQGXPPZ-ZETCQYMHSA-N 1 2 219.662 3.256 20 0 BGADLO C[C@@H]([NH2+]CC(F)F)c1ccc(Cl)cc1 ZINC000049525529 383931181 /nfs/dbraw/zinc/93/11/81/383931181.db2.gz ZWQBTDSGQGXPPZ-SSDOTTSWSA-N 1 2 219.662 3.256 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2ccccc2C)oc1C ZINC000049525920 179321586 /nfs/dbraw/zinc/32/15/86/179321586.db2.gz VYYSLEHHGZYIKW-GFCCVEGCSA-N 1 2 244.338 3.451 20 0 BGADLO Cc1cc(N[C@H](C)c2ccccc2C)nc[nH+]1 ZINC000049526230 178186773 /nfs/dbraw/zinc/18/67/73/178186773.db2.gz YZMLRBWBILDRNZ-GFCCVEGCSA-N 1 2 227.311 3.267 20 0 BGADLO CC[C@H](Nc1cc(C)[nH+]cn1)c1cccs1 ZINC000049531172 353167946 /nfs/dbraw/zinc/16/79/46/353167946.db2.gz OBJFZJWGFRILMJ-JTQLQIEISA-N 1 2 233.340 3.410 20 0 BGADLO CC[C@@H](Nc1cc(C)[nH+]cn1)c1cccs1 ZINC000049531173 353168439 /nfs/dbraw/zinc/16/84/39/353168439.db2.gz OBJFZJWGFRILMJ-SNVBAGLBSA-N 1 2 233.340 3.410 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2ccc(C)cc2)oc1C ZINC000049556518 178846144 /nfs/dbraw/zinc/84/61/44/178846144.db2.gz ISWDYHQZYXTYFK-GFCCVEGCSA-N 1 2 244.338 3.451 20 0 BGADLO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)cc2)oc1C ZINC000049556519 384546304 /nfs/dbraw/zinc/54/63/04/384546304.db2.gz ISWDYHQZYXTYFK-LBPRGKRZSA-N 1 2 244.338 3.451 20 0 BGADLO Cc1ccc([C@@H](C)Nc2cc(C)[nH+]cn2)cc1 ZINC000049558425 386647271 /nfs/dbraw/zinc/64/72/71/386647271.db2.gz ATCXGFVTXUAWFG-GFCCVEGCSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1ccc([C@H](C)Nc2cc(C)[nH+]cn2)cc1 ZINC000049558426 353168130 /nfs/dbraw/zinc/16/81/30/353168130.db2.gz ATCXGFVTXUAWFG-LBPRGKRZSA-N 1 2 227.311 3.267 20 0 BGADLO CCc1cc(N[C@@H](C)CCc2ccco2)nc[nH+]1 ZINC000049568948 356485350 /nfs/dbraw/zinc/48/53/50/356485350.db2.gz VZTYVXFTIWWEBA-NSHDSACASA-N 1 2 245.326 3.065 20 0 BGADLO CCc1cc(N[C@H](C)CCc2ccco2)nc[nH+]1 ZINC000049568949 356485335 /nfs/dbraw/zinc/48/53/35/356485335.db2.gz VZTYVXFTIWWEBA-LLVKDONJSA-N 1 2 245.326 3.065 20 0 BGADLO c1c[nH+]c(CNc2cccc3ccccc32)[nH]1 ZINC000049714466 387787455 /nfs/dbraw/zinc/78/74/55/387787455.db2.gz OUPJTSVDYXSZHZ-UHFFFAOYSA-N 1 2 223.279 3.175 20 0 BGADLO FC(F)(F)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049714488 387787622 /nfs/dbraw/zinc/78/76/22/387787622.db2.gz GVUUBTDJWFPLCO-UHFFFAOYSA-N 1 2 241.216 3.041 20 0 BGADLO CC(C)(C)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714490 384557707 /nfs/dbraw/zinc/55/77/07/384557707.db2.gz IJQMBXCZNKZFLW-UHFFFAOYSA-N 1 2 229.327 3.319 20 0 BGADLO CC(C)c1ccccc1NCc1[nH]cc[nH+]1 ZINC000049714509 384557920 /nfs/dbraw/zinc/55/79/20/384557920.db2.gz IVMCCBWOOYLQDK-UHFFFAOYSA-N 1 2 215.300 3.145 20 0 BGADLO FC(F)(F)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714518 387788520 /nfs/dbraw/zinc/78/85/20/387788520.db2.gz NMBIGENKYDKZQN-UHFFFAOYSA-N 1 2 241.216 3.041 20 0 BGADLO Clc1cc(Cl)cc(NCc2[nH]cc[nH+]2)c1 ZINC000049714524 384557529 /nfs/dbraw/zinc/55/75/29/384557529.db2.gz BIODOJDLCREDEE-UHFFFAOYSA-N 1 2 242.109 3.329 20 0 BGADLO CC(C)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714528 384557309 /nfs/dbraw/zinc/55/73/09/384557309.db2.gz YJFQGNSNXCIVGR-UHFFFAOYSA-N 1 2 215.300 3.145 20 0 BGADLO Clc1ccc(NCc2[nH]cc[nH+]2)cc1Cl ZINC000049714537 384022652 /nfs/dbraw/zinc/02/26/52/384022652.db2.gz UVMYKKFOHJRNTG-UHFFFAOYSA-N 1 2 242.109 3.329 20 0 BGADLO CC(C)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049714692 384560248 /nfs/dbraw/zinc/56/02/48/384560248.db2.gz XTYOACZYSVAUIK-UHFFFAOYSA-N 1 2 215.300 3.145 20 0 BGADLO CCCCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714711 169022300 /nfs/dbraw/zinc/02/23/00/169022300.db2.gz KFVZZDSEHOCINX-UHFFFAOYSA-N 1 2 229.327 3.364 20 0 BGADLO C[C@H]([NH2+]Cc1ncc[nH]1)c1cc2ccccc2o1 ZINC000049715193 387788044 /nfs/dbraw/zinc/78/80/44/387788044.db2.gz PZKHEWDIJKSIJJ-JTQLQIEISA-N 1 2 241.294 3.007 20 0 BGADLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1cc2ccccc2o1 ZINC000049715194 387787869 /nfs/dbraw/zinc/78/78/69/387787869.db2.gz PZKHEWDIJKSIJJ-SNVBAGLBSA-N 1 2 241.294 3.007 20 0 BGADLO CC(C)COc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049715536 384561649 /nfs/dbraw/zinc/56/16/49/384561649.db2.gz SEZDORIKXUIBGJ-UHFFFAOYSA-N 1 2 245.326 3.057 20 0 BGADLO CCCOc1cc(C)ccc1NCc1[nH]cc[nH+]1 ZINC000049715549 169314988 /nfs/dbraw/zinc/31/49/88/169314988.db2.gz NOCFUTGHEKAMBX-UHFFFAOYSA-N 1 2 245.326 3.119 20 0 BGADLO CC(C)COc1ccccc1NCc1[nH]cc[nH+]1 ZINC000049715559 384562236 /nfs/dbraw/zinc/56/22/36/384562236.db2.gz SIURBRUTCCIOIG-UHFFFAOYSA-N 1 2 245.326 3.057 20 0 BGADLO Cc1cc(OC(C)C)ccc1NCc1[nH]cc[nH+]1 ZINC000049715561 178208761 /nfs/dbraw/zinc/20/87/61/178208761.db2.gz DWLNBDVHPDLSDU-UHFFFAOYSA-N 1 2 245.326 3.117 20 0 BGADLO Cn1cc[nH+]c1CNc1ccccc1C(C)(C)C ZINC000049772827 180749828 /nfs/dbraw/zinc/74/98/28/180749828.db2.gz FIPQHZBFJOPWPN-UHFFFAOYSA-N 1 2 243.354 3.330 20 0 BGADLO Clc1cccc(C[NH2+]Cc2cscn2)c1 ZINC000049773051 384679927 /nfs/dbraw/zinc/67/99/27/384679927.db2.gz GBJDMUKJFSBZQX-UHFFFAOYSA-N 1 2 238.743 3.086 20 0 BGADLO Cc1csc(CNc2ccc([NH+](C)C)cc2)n1 ZINC000049835737 384571873 /nfs/dbraw/zinc/57/18/73/384571873.db2.gz UXPWKXFYDYVMDE-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO C[C@@H](c1ccc(F)cc1F)[NH+]1CCSCC1 ZINC000050070735 350281778 /nfs/dbraw/zinc/28/17/78/350281778.db2.gz WWJCHMAIYFCZSR-VIFPVBQESA-N 1 2 243.322 3.075 20 0 BGADLO C[C@H](c1ccc(F)cc1F)[NH+]1CCSCC1 ZINC000050070737 350281738 /nfs/dbraw/zinc/28/17/38/350281738.db2.gz WWJCHMAIYFCZSR-SECBINFHSA-N 1 2 243.322 3.075 20 0 BGADLO CCCC(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000050184629 384606584 /nfs/dbraw/zinc/60/65/84/384606584.db2.gz HMQGYQRIKKEJSN-UHFFFAOYSA-N 1 2 230.311 3.022 20 0 BGADLO CCc1cc(NCc2ccc(C)s2)nc[nH+]1 ZINC000050225633 357395120 /nfs/dbraw/zinc/39/51/20/357395120.db2.gz VNELXXXVKQYTOE-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NC[C@@H]1CCC=CO1 ZINC000050268076 178095318 /nfs/dbraw/zinc/09/53/18/178095318.db2.gz JBTWBIBFVRCMTB-AWEZNQCLSA-N 1 2 246.354 3.166 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NC[C@H]1CCC=CO1 ZINC000050268077 178094667 /nfs/dbraw/zinc/09/46/67/178094667.db2.gz JBTWBIBFVRCMTB-CQSZACIVSA-N 1 2 246.354 3.166 20 0 BGADLO c1cnn(-c2ccc([NH2+]CC3CCCC3)cc2)c1 ZINC000050271652 358722072 /nfs/dbraw/zinc/72/20/72/358722072.db2.gz DADVDCALEBHVDU-UHFFFAOYSA-N 1 2 241.338 3.474 20 0 BGADLO C=CC[N@H+](CC(=C)Cl)Cc1cccs1 ZINC000050274357 643672979 /nfs/dbraw/zinc/67/29/79/643672979.db2.gz RTGDRYKKGQMOND-UHFFFAOYSA-N 1 2 227.760 3.489 20 0 BGADLO C=CC[N@@H+](CC(=C)Cl)Cc1cccs1 ZINC000050274357 643672976 /nfs/dbraw/zinc/67/29/76/643672976.db2.gz RTGDRYKKGQMOND-UHFFFAOYSA-N 1 2 227.760 3.489 20 0 BGADLO COc1ccc([NH2+]CCc2scnc2C)cc1 ZINC000050284733 175151170 /nfs/dbraw/zinc/15/11/70/175151170.db2.gz VEMBPXQLJSRCCE-UHFFFAOYSA-N 1 2 248.351 3.115 20 0 BGADLO CO[C@@H]1CCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000050374914 322849511 /nfs/dbraw/zinc/84/95/11/322849511.db2.gz QIJUMBBSPOEKDJ-ZIAGYGMSSA-N 1 2 242.322 3.214 20 0 BGADLO CCC[C@@H](CC)Nc1cc(CC)[nH+]cn1 ZINC000050405653 357491668 /nfs/dbraw/zinc/49/16/68/357491668.db2.gz GGFAMLTTXKCHTB-SNVBAGLBSA-N 1 2 207.321 3.030 20 0 BGADLO CCC[C@H](CC)Nc1cc(CC)[nH+]cn1 ZINC000050405655 357491664 /nfs/dbraw/zinc/49/16/64/357491664.db2.gz GGFAMLTTXKCHTB-JTQLQIEISA-N 1 2 207.321 3.030 20 0 BGADLO CCC(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000050490613 386159316 /nfs/dbraw/zinc/15/93/16/386159316.db2.gz ZSHQTGDUAAYBQF-UHFFFAOYSA-N 1 2 242.278 3.222 20 0 BGADLO CC(C)c1ccc(OCc2ccc(N)[nH+]c2)cc1 ZINC000050830686 711503674 /nfs/dbraw/zinc/50/36/74/711503674.db2.gz PJPADRKKHLTFRG-UHFFFAOYSA-N 1 2 242.322 3.366 20 0 BGADLO CC(C)c1cccc(OCc2ccc(N)[nH+]c2)c1 ZINC000050830713 711503360 /nfs/dbraw/zinc/50/33/60/711503360.db2.gz UJVQXKLFEKHEIK-UHFFFAOYSA-N 1 2 242.322 3.366 20 0 BGADLO CC(C)c1ccccc1OCc1ccc(N)[nH+]c1 ZINC000050831256 711503098 /nfs/dbraw/zinc/50/30/98/711503098.db2.gz HLJQWNCYNHFARW-UHFFFAOYSA-N 1 2 242.322 3.366 20 0 BGADLO Cc1cc(C)c(C)c(OCc2ccc(N)[nH+]c2)c1 ZINC000050832713 711502990 /nfs/dbraw/zinc/50/29/90/711502990.db2.gz KHUGAMZOBOXFCT-UHFFFAOYSA-N 1 2 242.322 3.168 20 0 BGADLO Cc1ccc(C)c(OCc2ccc(N)[nH+]c2)c1C ZINC000050832845 711503616 /nfs/dbraw/zinc/50/36/16/711503616.db2.gz ULLMMSZGSMMLPT-UHFFFAOYSA-N 1 2 242.322 3.168 20 0 BGADLO CCCOc1cccc2c(NCC)cc[nH+]c12 ZINC000050843690 358738600 /nfs/dbraw/zinc/73/86/00/358738600.db2.gz VYLDXCYCNXNMLN-UHFFFAOYSA-N 1 2 230.311 3.455 20 0 BGADLO CCNc1cc[nH+]c2c(Cl)cccc12 ZINC000050844009 170175471 /nfs/dbraw/zinc/17/54/71/170175471.db2.gz GZZOSWMYOFWIAM-UHFFFAOYSA-N 1 2 206.676 3.320 20 0 BGADLO CNc1cc(C(C)(C)C)[nH+]c(C(C)(C)C)n1 ZINC000050850463 386755794 /nfs/dbraw/zinc/75/57/94/386755794.db2.gz BXLZCCVGIXYNPZ-UHFFFAOYSA-N 1 2 221.348 3.113 20 0 BGADLO CCNc1cc(C(C)(C)C)[nH+]c(C(C)C)n1 ZINC000050850609 170171290 /nfs/dbraw/zinc/17/12/90/170171290.db2.gz YSQPRGJCYYNCRF-UHFFFAOYSA-N 1 2 221.348 3.329 20 0 BGADLO CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000050851783 170171508 /nfs/dbraw/zinc/17/15/08/170171508.db2.gz QQCGTSOHNIRMOL-UHFFFAOYSA-N 1 2 207.321 3.155 20 0 BGADLO CCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000050869692 170171934 /nfs/dbraw/zinc/17/19/34/170171934.db2.gz WLXFWCCCWCOWOZ-UHFFFAOYSA-N 1 2 204.248 3.114 20 0 BGADLO CCNc1cc(C)[nH+]c2c(F)c(F)ccc12 ZINC000050870944 170172191 /nfs/dbraw/zinc/17/21/91/170172191.db2.gz IIRRMKUTXUTJEI-UHFFFAOYSA-N 1 2 222.238 3.253 20 0 BGADLO C[N@@H+](Cc1ccco1)Cc1cc(F)ccc1F ZINC000051259749 323186557 /nfs/dbraw/zinc/18/65/57/323186557.db2.gz OXNXEAXKFVIYIR-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO C[N@H+](Cc1ccco1)Cc1cc(F)ccc1F ZINC000051259749 323186556 /nfs/dbraw/zinc/18/65/56/323186556.db2.gz OXNXEAXKFVIYIR-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO c1ccc(N[C@H]2CCc3ccccc3C2)[nH+]c1 ZINC000051449019 384669093 /nfs/dbraw/zinc/66/90/93/384669093.db2.gz PYQWTDUBVZSFKT-AWEZNQCLSA-N 1 2 224.307 3.051 20 0 BGADLO c1ccc(N[C@@H]2CCc3ccccc3C2)[nH+]c1 ZINC000051449020 384668891 /nfs/dbraw/zinc/66/88/91/384668891.db2.gz PYQWTDUBVZSFKT-CQSZACIVSA-N 1 2 224.307 3.051 20 0 BGADLO Cc1nc([C@H](C)[NH2+]Cc2cccc(C)n2)cs1 ZINC000051575170 358755412 /nfs/dbraw/zinc/75/54/12/358755412.db2.gz DBASKUBSUNBZAK-JTQLQIEISA-N 1 2 247.367 3.006 20 0 BGADLO Cc1nc([C@@H](C)[NH2+]Cc2cccc(C)n2)cs1 ZINC000051575171 358755394 /nfs/dbraw/zinc/75/53/94/358755394.db2.gz DBASKUBSUNBZAK-SNVBAGLBSA-N 1 2 247.367 3.006 20 0 BGADLO Fc1cc(F)cc(CCNc2cccc[nH+]2)c1 ZINC000051600700 386835904 /nfs/dbraw/zinc/83/59/04/386835904.db2.gz NLMIATFOCDCPIL-UHFFFAOYSA-N 1 2 234.249 3.014 20 0 BGADLO CC[C@H]([NH2+]CC(=O)OC(C)(C)C)c1ccccc1 ZINC000051627969 387800300 /nfs/dbraw/zinc/80/03/00/387800300.db2.gz NMFMXFKXHHKTCF-ZDUSSCGKSA-N 1 2 249.354 3.069 20 0 BGADLO CC[C@@H]([NH2+]CC(=O)OC(C)(C)C)c1ccccc1 ZINC000051627971 387800176 /nfs/dbraw/zinc/80/01/76/387800176.db2.gz NMFMXFKXHHKTCF-CYBMUJFWSA-N 1 2 249.354 3.069 20 0 BGADLO CC[C@H](Nc1cc(C)[nH+]cn1)c1ccccc1 ZINC000051628781 358757087 /nfs/dbraw/zinc/75/70/87/358757087.db2.gz NJBOTNBVPHZOCD-ZDUSSCGKSA-N 1 2 227.311 3.348 20 0 BGADLO CC[C@@H](Nc1cc(C)[nH+]cn1)c1ccccc1 ZINC000051628783 358757204 /nfs/dbraw/zinc/75/72/04/358757204.db2.gz NJBOTNBVPHZOCD-CYBMUJFWSA-N 1 2 227.311 3.348 20 0 BGADLO Cc1cc(N[C@@H]2CCCc3ccccc32)nc[nH+]1 ZINC000051632581 386834531 /nfs/dbraw/zinc/83/45/31/386834531.db2.gz CFNSQPJUJGPSCJ-CQSZACIVSA-N 1 2 239.322 3.275 20 0 BGADLO CCc1cc(NCCc2cccc(C)c2)nc[nH+]1 ZINC000051670469 358045904 /nfs/dbraw/zinc/04/59/04/358045904.db2.gz MUWYCBVFMQRXTG-UHFFFAOYSA-N 1 2 241.338 3.002 20 0 BGADLO Cc1cccc(CCNc2cccc[nH+]2)c1 ZINC000051670501 179060959 /nfs/dbraw/zinc/06/09/59/179060959.db2.gz IZCWPEFZKDLKDR-UHFFFAOYSA-N 1 2 212.296 3.045 20 0 BGADLO C[N@@H+](C/C=C/Cl)Cc1ccc(F)cc1F ZINC000051709298 350773429 /nfs/dbraw/zinc/77/34/29/350773429.db2.gz JDYQWIXWIWTUTO-GORDUTHDSA-N 1 2 231.673 3.149 20 0 BGADLO C[N@H+](C/C=C/Cl)Cc1ccc(F)cc1F ZINC000051709298 350773424 /nfs/dbraw/zinc/77/34/24/350773424.db2.gz JDYQWIXWIWTUTO-GORDUTHDSA-N 1 2 231.673 3.149 20 0 BGADLO C[C@@H]1CC[N@@H+](CC(=O)c2ccccc2F)[C@H](C)C1 ZINC000051733621 411282353 /nfs/dbraw/zinc/28/23/53/411282353.db2.gz UVOWNHDSQQAOHO-VXGBXAGGSA-N 1 2 249.329 3.129 20 0 BGADLO C[C@@H]1CC[N@H+](CC(=O)c2ccccc2F)[C@H](C)C1 ZINC000051733621 411282349 /nfs/dbraw/zinc/28/23/49/411282349.db2.gz UVOWNHDSQQAOHO-VXGBXAGGSA-N 1 2 249.329 3.129 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2cc(C)cc(C)c2)no1 ZINC000051739362 350818864 /nfs/dbraw/zinc/81/88/64/350818864.db2.gz JHBJQNWFZUAVDO-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2cc(C)cc(C)c2)no1 ZINC000051739362 350818862 /nfs/dbraw/zinc/81/88/62/350818862.db2.gz JHBJQNWFZUAVDO-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO CC[C@@H](C)Oc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000051780118 384684621 /nfs/dbraw/zinc/68/46/21/384684621.db2.gz LSGPLPVQJJAIHD-LLVKDONJSA-N 1 2 245.326 3.199 20 0 BGADLO CC[C@H](C)Oc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000051780120 171356394 /nfs/dbraw/zinc/35/63/94/171356394.db2.gz LSGPLPVQJJAIHD-NSHDSACASA-N 1 2 245.326 3.199 20 0 BGADLO CCCOc1ccc([NH2+][C@@H](C)CCOC)cc1 ZINC000051785552 169319828 /nfs/dbraw/zinc/31/98/28/169319828.db2.gz GMENBWWHUAFNOH-LBPRGKRZSA-N 1 2 237.343 3.312 20 0 BGADLO CCCOc1ccc([NH2+][C@H](C)CCOC)cc1 ZINC000051785553 169320244 /nfs/dbraw/zinc/32/02/44/169320244.db2.gz GMENBWWHUAFNOH-GFCCVEGCSA-N 1 2 237.343 3.312 20 0 BGADLO CCn1cc[nH+]c1CNc1cc(Cl)ccc1C ZINC000051920649 358767258 /nfs/dbraw/zinc/76/72/58/358767258.db2.gz HSQVMTBJRDSDNR-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1cc[nH+]c1CNc1ccc(C)cc1C ZINC000051920659 358767356 /nfs/dbraw/zinc/76/73/56/358767356.db2.gz AZHICRMKXFSQBF-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1cc[nH+]c1CNc1cccc(SC)c1 ZINC000051920689 358100757 /nfs/dbraw/zinc/10/07/57/358100757.db2.gz DGBSEFFOWABFIK-UHFFFAOYSA-N 1 2 247.367 3.237 20 0 BGADLO CCn1cc[nH+]c1CNc1ccc(C)c(Cl)c1 ZINC000051920691 358767797 /nfs/dbraw/zinc/76/77/97/358767797.db2.gz MOWKDNJRMDESFF-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1cc[nH+]c1CNc1cccc(Cl)c1C ZINC000051920737 358767268 /nfs/dbraw/zinc/76/72/68/358767268.db2.gz SHEDDJXPGSBYQP-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1cc[nH+]c1CNc1ccc(SC)cc1 ZINC000051920754 172226563 /nfs/dbraw/zinc/22/65/63/172226563.db2.gz LDIPHDBRWSHKPF-UHFFFAOYSA-N 1 2 247.367 3.237 20 0 BGADLO CCn1cc[nH+]c1CNc1ccc2c(c1)CCC2 ZINC000051920823 322852169 /nfs/dbraw/zinc/85/21/69/322852169.db2.gz XUESWBHJQZIFBC-UHFFFAOYSA-N 1 2 241.338 3.004 20 0 BGADLO CCn1cc[nH+]c1CNc1ccc(C)c(C)c1 ZINC000051920866 358767493 /nfs/dbraw/zinc/76/74/93/358767493.db2.gz YUUDWJHGZOBMQQ-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1cc[nH+]c1CNc1cccc(Cl)c1 ZINC000051920868 172225738 /nfs/dbraw/zinc/22/57/38/172225738.db2.gz ZPCKNHKKEDTVIF-UHFFFAOYSA-N 1 2 235.718 3.169 20 0 BGADLO CCn1cc[nH+]c1CNc1ccc(Cl)cc1 ZINC000051920872 172224182 /nfs/dbraw/zinc/22/41/82/172224182.db2.gz TZYOLQAPRQXENA-UHFFFAOYSA-N 1 2 235.718 3.169 20 0 BGADLO CCn1cc[nH+]c1CNc1ccccc1Cl ZINC000051920886 172226378 /nfs/dbraw/zinc/22/63/78/172226378.db2.gz OIHZRTNEKCSNPC-UHFFFAOYSA-N 1 2 235.718 3.169 20 0 BGADLO CCn1cc[nH+]c1CNc1cc(C)cc(C)c1 ZINC000051920912 172223880 /nfs/dbraw/zinc/22/38/80/172223880.db2.gz JTTXKOJXQXECNS-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCc1ccc(NCc2[nH+]ccn2CC)cc1 ZINC000051920915 358767614 /nfs/dbraw/zinc/76/76/14/358767614.db2.gz VRFKEVKTCOKAJE-UHFFFAOYSA-N 1 2 229.327 3.078 20 0 BGADLO CCc1ccccc1NCc1[nH+]ccn1CC ZINC000051920919 358767637 /nfs/dbraw/zinc/76/76/37/358767637.db2.gz MFJSTJQMYCETIS-UHFFFAOYSA-N 1 2 229.327 3.078 20 0 BGADLO CCc1cccc(NCc2[nH+]ccn2CC)c1 ZINC000051920931 358100671 /nfs/dbraw/zinc/10/06/71/358100671.db2.gz HBFMMYWELOPSHU-UHFFFAOYSA-N 1 2 229.327 3.078 20 0 BGADLO CCn1cc[nH+]c1CNc1cccc(C)c1C ZINC000051920942 358767602 /nfs/dbraw/zinc/76/76/02/358767602.db2.gz JCYIQBWRGYRROS-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1cc[nH+]c1CNc1cc(C)ccc1C ZINC000051920946 358767715 /nfs/dbraw/zinc/76/77/15/358767715.db2.gz IITFJUXTIPXDLT-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1cc[nH+]c1CNc1ccc(Cl)cc1C ZINC000051920986 358767297 /nfs/dbraw/zinc/76/72/97/358767297.db2.gz YCTHSERLIIWEQU-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1cc[nH+]c1CNc1ccc(C)cc1Cl ZINC000051921378 358767577 /nfs/dbraw/zinc/76/75/77/358767577.db2.gz CXUBKVDXIYPGNX-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1cc[nH+]c1CNc1ccccc1SC ZINC000051921873 358767347 /nfs/dbraw/zinc/76/73/47/358767347.db2.gz PGFXQXNPTOMASQ-UHFFFAOYSA-N 1 2 247.367 3.237 20 0 BGADLO CCCc1ccccc1NCc1[nH+]ccn1CC ZINC000051922002 358767586 /nfs/dbraw/zinc/76/75/86/358767586.db2.gz FVBSVJVWGGHLFZ-UHFFFAOYSA-N 1 2 243.354 3.468 20 0 BGADLO CCn1cc[nH+]c1CNc1c(C)cc(C)cc1C ZINC000051923586 358768498 /nfs/dbraw/zinc/76/84/98/358768498.db2.gz DIAAEMRXOUYGIX-UHFFFAOYSA-N 1 2 243.354 3.440 20 0 BGADLO Cc1ccc(C[N@@H+](Cc2cc(C)on2)C2CC2)o1 ZINC000051967025 350831141 /nfs/dbraw/zinc/83/11/41/350831141.db2.gz SKUZCHQFNKIPTF-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1ccc(C[N@H+](Cc2cc(C)on2)C2CC2)o1 ZINC000051967025 350831139 /nfs/dbraw/zinc/83/11/39/350831139.db2.gz SKUZCHQFNKIPTF-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1cc(C[N@H+](Cc2ccc(C)o2)C2CC2)on1 ZINC000051967215 350831163 /nfs/dbraw/zinc/83/11/63/350831163.db2.gz NHRMPNPQAOAMBL-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1cc(C[N@@H+](Cc2ccc(C)o2)C2CC2)on1 ZINC000051967215 350831161 /nfs/dbraw/zinc/83/11/61/350831161.db2.gz NHRMPNPQAOAMBL-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO FC(F)C[NH2+]Cc1cccc2ccccc21 ZINC000052061550 358771827 /nfs/dbraw/zinc/77/18/27/358771827.db2.gz SIGMICJNZKQDJR-UHFFFAOYSA-N 1 2 221.250 3.195 20 0 BGADLO Cc1cc(C[NH+](C)[C@@H](C)c2ccccc2F)no1 ZINC000052074231 350930172 /nfs/dbraw/zinc/93/01/72/350930172.db2.gz NXHSUOPRMOZMSY-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cc(C[NH+](C)[C@H](C)c2ccccc2F)no1 ZINC000052074232 350930055 /nfs/dbraw/zinc/93/00/55/350930055.db2.gz NXHSUOPRMOZMSY-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cc(C[NH+](C)[C@@H](C)c2ccccc2F)on1 ZINC000052074332 350929774 /nfs/dbraw/zinc/92/97/74/350929774.db2.gz MBHYKDDUKHGTPO-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cc(C[NH+](C)[C@H](C)c2ccccc2F)on1 ZINC000052074333 350929728 /nfs/dbraw/zinc/92/97/28/350929728.db2.gz MBHYKDDUKHGTPO-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]CC1CCOCC1 ZINC000052178521 358775542 /nfs/dbraw/zinc/77/55/42/358775542.db2.gz QFGALZKSMOODAR-UHFFFAOYSA-N 1 2 249.354 3.232 20 0 BGADLO C=C(Cl)C[N@@H+](Cc1ccccn1)C(C)C ZINC000052218378 643683735 /nfs/dbraw/zinc/68/37/35/643683735.db2.gz OAVQCMFVZLGLQX-UHFFFAOYSA-N 1 2 224.735 3.045 20 0 BGADLO C=C(Cl)C[N@H+](Cc1ccccn1)C(C)C ZINC000052218378 643683732 /nfs/dbraw/zinc/68/37/32/643683732.db2.gz OAVQCMFVZLGLQX-UHFFFAOYSA-N 1 2 224.735 3.045 20 0 BGADLO Cc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000052280356 323192985 /nfs/dbraw/zinc/19/29/85/323192985.db2.gz UBBBQVVXRDZADA-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Cc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000052280356 323192984 /nfs/dbraw/zinc/19/29/84/323192984.db2.gz UBBBQVVXRDZADA-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Cc1cc(N[C@@H](C)C2CCCCC2)nc[nH+]1 ZINC000052340872 386923888 /nfs/dbraw/zinc/92/38/88/386923888.db2.gz LZIZKCHFRBKUCY-NSHDSACASA-N 1 2 219.332 3.166 20 0 BGADLO Cc1cc(N[C@H](C)C2CCCCC2)nc[nH+]1 ZINC000052340874 178184609 /nfs/dbraw/zinc/18/46/09/178184609.db2.gz LZIZKCHFRBKUCY-LLVKDONJSA-N 1 2 219.332 3.166 20 0 BGADLO CCc1cc(N[C@@H](C)C2CCCCC2)nc[nH+]1 ZINC000052340876 358156536 /nfs/dbraw/zinc/15/65/36/358156536.db2.gz FJXQJYSAWPYZQG-NSHDSACASA-N 1 2 233.359 3.420 20 0 BGADLO CCc1cc(N[C@H](C)C2CCCCC2)nc[nH+]1 ZINC000052340878 358156658 /nfs/dbraw/zinc/15/66/58/358156658.db2.gz FJXQJYSAWPYZQG-LLVKDONJSA-N 1 2 233.359 3.420 20 0 BGADLO CC(C)c1cccc(OCc2ccc[nH+]c2N)c1 ZINC000052734440 487934967 /nfs/dbraw/zinc/93/49/67/487934967.db2.gz CTQMKFSJYGQPQI-UHFFFAOYSA-N 1 2 242.322 3.366 20 0 BGADLO CC(C)c1ccccc1OCc1ccc[nH+]c1N ZINC000052754606 488004611 /nfs/dbraw/zinc/00/46/11/488004611.db2.gz CSPDOFGOPVABIN-UHFFFAOYSA-N 1 2 242.322 3.366 20 0 BGADLO Cc1cc(C)c(C)c(OCc2ccc[nH+]c2N)c1 ZINC000052755289 488004983 /nfs/dbraw/zinc/00/49/83/488004983.db2.gz VXSLGZRGAZIFBR-UHFFFAOYSA-N 1 2 242.322 3.168 20 0 BGADLO Cc1ccc(C)c(OCc2ccc[nH+]c2N)c1C ZINC000052755349 488004692 /nfs/dbraw/zinc/00/46/92/488004692.db2.gz UIWDEEJUGTVKGV-UHFFFAOYSA-N 1 2 242.322 3.168 20 0 BGADLO Cc1ccc(SCc2cc[nH+]c(N)c2)cc1 ZINC000052755955 386960172 /nfs/dbraw/zinc/96/01/72/386960172.db2.gz HDPLGLXELRHGSD-UHFFFAOYSA-N 1 2 230.336 3.265 20 0 BGADLO Nc1cc(CSc2ccccc2F)cc[nH+]1 ZINC000052755975 386962114 /nfs/dbraw/zinc/96/21/14/386962114.db2.gz BZOGORDICORLIT-UHFFFAOYSA-N 1 2 234.299 3.095 20 0 BGADLO Nc1cc(CSc2ccc(F)cc2)cc[nH+]1 ZINC000052756026 387806612 /nfs/dbraw/zinc/80/66/12/387806612.db2.gz WNBOJAPWIBLPKR-UHFFFAOYSA-N 1 2 234.299 3.095 20 0 BGADLO Cc1ccccc1SCc1cc[nH+]c(N)c1 ZINC000052756454 358791724 /nfs/dbraw/zinc/79/17/24/358791724.db2.gz KBTGGAYCLCYIIV-UHFFFAOYSA-N 1 2 230.336 3.265 20 0 BGADLO Nc1[nH+]cccc1CSC1CCCCC1 ZINC000052756469 387496798 /nfs/dbraw/zinc/49/67/98/387496798.db2.gz GRTKYXBBFKCUOC-UHFFFAOYSA-N 1 2 222.357 3.230 20 0 BGADLO Cc1cccc(SCc2cc[nH+]c(N)c2)c1 ZINC000052756546 358791364 /nfs/dbraw/zinc/79/13/64/358791364.db2.gz HDCZQJOMWWSZPK-UHFFFAOYSA-N 1 2 230.336 3.265 20 0 BGADLO C[N@@H+](Cc1ccco1)Cc1cccc(F)c1F ZINC000052916709 351078862 /nfs/dbraw/zinc/07/88/62/351078862.db2.gz JKLDRRHKJHIZKZ-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO C[N@H+](Cc1ccco1)Cc1cccc(F)c1F ZINC000052916709 351078861 /nfs/dbraw/zinc/07/88/61/351078861.db2.gz JKLDRRHKJHIZKZ-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO C=C(Cl)C[N@H+](C)Cc1ccc(F)cc1 ZINC000052928270 711645209 /nfs/dbraw/zinc/64/52/09/711645209.db2.gz KABKJNDWQOBLPC-UHFFFAOYSA-N 1 2 213.683 3.010 20 0 BGADLO C=C(Cl)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000052928270 711645208 /nfs/dbraw/zinc/64/52/08/711645208.db2.gz KABKJNDWQOBLPC-UHFFFAOYSA-N 1 2 213.683 3.010 20 0 BGADLO Cc1ccc(C[NH2+]Cc2c(F)cccc2F)o1 ZINC000053035737 487730215 /nfs/dbraw/zinc/73/02/15/487730215.db2.gz MZFYYYZFGXUDJS-UHFFFAOYSA-N 1 2 237.249 3.156 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)c2csc(C)n2)o1 ZINC000053036418 387812834 /nfs/dbraw/zinc/81/28/34/387812834.db2.gz FEMIVXSTAPVSQV-VIFPVBQESA-N 1 2 236.340 3.204 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)c2csc(C)n2)o1 ZINC000053036420 387812974 /nfs/dbraw/zinc/81/29/74/387812974.db2.gz FEMIVXSTAPVSQV-SECBINFHSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2cscn2)cc1 ZINC000053094971 386683659 /nfs/dbraw/zinc/68/36/59/386683659.db2.gz MMMQFZIUAMKMAR-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2cscn2)cc1 ZINC000053094971 386683655 /nfs/dbraw/zinc/68/36/55/386683655.db2.gz MMMQFZIUAMKMAR-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO C=C(Cl)C[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000053096858 643654215 /nfs/dbraw/zinc/65/42/15/643654215.db2.gz MJPOPUXZJJTNQV-UHFFFAOYSA-N 1 2 243.709 3.019 20 0 BGADLO C=C(Cl)C[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000053096858 643654209 /nfs/dbraw/zinc/65/42/09/643654209.db2.gz MJPOPUXZJJTNQV-UHFFFAOYSA-N 1 2 243.709 3.019 20 0 BGADLO CCCCOC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000053135719 633123135 /nfs/dbraw/zinc/12/31/35/633123135.db2.gz CGIHINDJMZYHQJ-ZDUSSCGKSA-N 1 2 249.354 3.023 20 0 BGADLO CCCCOC(=O)C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000053135719 633123134 /nfs/dbraw/zinc/12/31/34/633123134.db2.gz CGIHINDJMZYHQJ-ZDUSSCGKSA-N 1 2 249.354 3.023 20 0 BGADLO CCCCOC(=O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000053135722 633123438 /nfs/dbraw/zinc/12/34/38/633123438.db2.gz CGIHINDJMZYHQJ-CYBMUJFWSA-N 1 2 249.354 3.023 20 0 BGADLO CCCCOC(=O)C[N@H+](C)[C@H](C)c1ccccc1 ZINC000053135722 633123435 /nfs/dbraw/zinc/12/34/35/633123435.db2.gz CGIHINDJMZYHQJ-CYBMUJFWSA-N 1 2 249.354 3.023 20 0 BGADLO C[N@@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000053143403 539012374 /nfs/dbraw/zinc/01/23/74/539012374.db2.gz ZVUUZJFITOGEGU-UHFFFAOYSA-N 1 2 213.683 3.073 20 0 BGADLO C[N@H+](Cc1c(F)cccc1Cl)C1CC1 ZINC000053143403 539012372 /nfs/dbraw/zinc/01/23/72/539012372.db2.gz ZVUUZJFITOGEGU-UHFFFAOYSA-N 1 2 213.683 3.073 20 0 BGADLO C=C(Cl)C[N@H+]1CCc2sccc2[C@H]1C ZINC000053150800 633818015 /nfs/dbraw/zinc/81/80/15/633818015.db2.gz AILHYHRBYWBQNM-SECBINFHSA-N 1 2 227.760 3.420 20 0 BGADLO C=C(Cl)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000053150800 633818012 /nfs/dbraw/zinc/81/80/12/633818012.db2.gz AILHYHRBYWBQNM-SECBINFHSA-N 1 2 227.760 3.420 20 0 BGADLO C=C(Cl)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000053150803 633817774 /nfs/dbraw/zinc/81/77/74/633817774.db2.gz AILHYHRBYWBQNM-VIFPVBQESA-N 1 2 227.760 3.420 20 0 BGADLO C=C(Cl)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000053150803 633817772 /nfs/dbraw/zinc/81/77/72/633817772.db2.gz AILHYHRBYWBQNM-VIFPVBQESA-N 1 2 227.760 3.420 20 0 BGADLO Cc1cc(C[N@H+]2CCc3sccc3[C@@H]2C)no1 ZINC000053150948 358107198 /nfs/dbraw/zinc/10/71/98/358107198.db2.gz BJYCGCOGXWRQRG-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cc(C[N@@H+]2CCc3sccc3[C@@H]2C)no1 ZINC000053150948 358107194 /nfs/dbraw/zinc/10/71/94/358107194.db2.gz BJYCGCOGXWRQRG-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cc(C[N@H+]2CCc3sccc3[C@H]2C)no1 ZINC000053150950 358107380 /nfs/dbraw/zinc/10/73/80/358107380.db2.gz BJYCGCOGXWRQRG-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cc(C[N@@H+]2CCc3sccc3[C@H]2C)no1 ZINC000053150950 358107377 /nfs/dbraw/zinc/10/73/77/358107377.db2.gz BJYCGCOGXWRQRG-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cc(NCc2cccc(Cl)c2)nc[nH+]1 ZINC000053158483 178173059 /nfs/dbraw/zinc/17/30/59/178173059.db2.gz HZNRFAQFZINJIX-UHFFFAOYSA-N 1 2 233.702 3.051 20 0 BGADLO CCc1cc(NCc2cccc(Cl)c2)nc[nH+]1 ZINC000053158485 358427061 /nfs/dbraw/zinc/42/70/61/358427061.db2.gz ZKMJLOBFZXVIMH-UHFFFAOYSA-N 1 2 247.729 3.305 20 0 BGADLO Fc1ccc(CNc2cccc[nH+]2)cc1Cl ZINC000053158700 387021066 /nfs/dbraw/zinc/02/10/66/387021066.db2.gz FJDQAIPNNXZWQE-UHFFFAOYSA-N 1 2 236.677 3.486 20 0 BGADLO CCCc1ccc(OCc2ccc[nH+]c2N)cc1 ZINC000053334894 487731678 /nfs/dbraw/zinc/73/16/78/487731678.db2.gz DIXXVOOYLCPVGD-UHFFFAOYSA-N 1 2 242.322 3.195 20 0 BGADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)no1 ZINC000053422811 363281422 /nfs/dbraw/zinc/28/14/22/363281422.db2.gz FKRMANRTCUYBQF-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)no1 ZINC000053422811 363281419 /nfs/dbraw/zinc/28/14/19/363281419.db2.gz FKRMANRTCUYBQF-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)no1 ZINC000053422815 363281532 /nfs/dbraw/zinc/28/15/32/363281532.db2.gz FKRMANRTCUYBQF-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)no1 ZINC000053422815 363281530 /nfs/dbraw/zinc/28/15/30/363281530.db2.gz FKRMANRTCUYBQF-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cc(C[N@H+](C)[C@@H](C)c2cccs2)no1 ZINC000053428743 363286981 /nfs/dbraw/zinc/28/69/81/363286981.db2.gz DOBWRLRPBNJGSS-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccs2)no1 ZINC000053428743 363286978 /nfs/dbraw/zinc/28/69/78/363286978.db2.gz DOBWRLRPBNJGSS-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cc(C[N@H+](C)[C@H](C)c2cccs2)no1 ZINC000053428745 363286895 /nfs/dbraw/zinc/28/68/95/363286895.db2.gz DOBWRLRPBNJGSS-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@H](C)c2cccs2)no1 ZINC000053428745 363286888 /nfs/dbraw/zinc/28/68/88/363286888.db2.gz DOBWRLRPBNJGSS-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO CCCCc1nc(C[N@H+](CC)CCCC)no1 ZINC000053607470 358835533 /nfs/dbraw/zinc/83/55/33/358835533.db2.gz WMTOWTJHXFJHDR-UHFFFAOYSA-N 1 2 239.363 3.034 20 0 BGADLO CCCCc1nc(C[N@@H+](CC)CCCC)no1 ZINC000053607470 358835529 /nfs/dbraw/zinc/83/55/29/358835529.db2.gz WMTOWTJHXFJHDR-UHFFFAOYSA-N 1 2 239.363 3.034 20 0 BGADLO FC(F)(F)C[NH2+]CC1CCCCCC1 ZINC000053714511 347014776 /nfs/dbraw/zinc/01/47/76/347014776.db2.gz BSFDHDQLUCEJOB-UHFFFAOYSA-N 1 2 209.255 3.109 20 0 BGADLO C[N@@H+](C/C=C/Cl)Cc1ccccc1F ZINC000054105358 363561553 /nfs/dbraw/zinc/56/15/53/363561553.db2.gz XBPSPBKSCDMQQD-QPJJXVBHSA-N 1 2 213.683 3.010 20 0 BGADLO C[N@H+](C/C=C/Cl)Cc1ccccc1F ZINC000054105358 363561548 /nfs/dbraw/zinc/56/15/48/363561548.db2.gz XBPSPBKSCDMQQD-QPJJXVBHSA-N 1 2 213.683 3.010 20 0 BGADLO C[C@@H](c1ccccc1Cl)[N@H+]1CCO[C@H](C)C1 ZINC000054172077 363564101 /nfs/dbraw/zinc/56/41/01/363564101.db2.gz FJCYEJJFJWLULL-MNOVXSKESA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H](c1ccccc1Cl)[N@@H+]1CCO[C@H](C)C1 ZINC000054172077 363564095 /nfs/dbraw/zinc/56/40/95/363564095.db2.gz FJCYEJJFJWLULL-MNOVXSKESA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H](c1ccccc1Cl)[N@H+]1CCO[C@@H](C)C1 ZINC000054172078 363564271 /nfs/dbraw/zinc/56/42/71/363564271.db2.gz FJCYEJJFJWLULL-QWRGUYRKSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H](c1ccccc1Cl)[N@@H+]1CCO[C@@H](C)C1 ZINC000054172078 363564268 /nfs/dbraw/zinc/56/42/68/363564268.db2.gz FJCYEJJFJWLULL-QWRGUYRKSA-N 1 2 239.746 3.122 20 0 BGADLO CCCCC[N@@H+](Cc1noc(CC)n1)C(C)C ZINC000054316654 358858328 /nfs/dbraw/zinc/85/83/28/358858328.db2.gz UFZHQXWBSQAYIW-UHFFFAOYSA-N 1 2 239.363 3.033 20 0 BGADLO CCCCC[N@H+](Cc1noc(CC)n1)C(C)C ZINC000054316654 358858326 /nfs/dbraw/zinc/85/83/26/358858326.db2.gz UFZHQXWBSQAYIW-UHFFFAOYSA-N 1 2 239.363 3.033 20 0 BGADLO COCC[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC000054353800 358859572 /nfs/dbraw/zinc/85/95/72/358859572.db2.gz TWXMOHSWOIALST-UHFFFAOYSA-N 1 2 248.153 3.072 20 0 BGADLO COCC[N@H+](C)Cc1c(Cl)cccc1Cl ZINC000054353800 358859570 /nfs/dbraw/zinc/85/95/70/358859570.db2.gz TWXMOHSWOIALST-UHFFFAOYSA-N 1 2 248.153 3.072 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2ncccn2)c(C)s1 ZINC000054459536 358863199 /nfs/dbraw/zinc/86/31/99/358863199.db2.gz COVGINIJTNLXGI-SNVBAGLBSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2ncccn2)c(C)s1 ZINC000054459537 358863039 /nfs/dbraw/zinc/86/30/39/358863039.db2.gz COVGINIJTNLXGI-JTQLQIEISA-N 1 2 247.367 3.006 20 0 BGADLO CC[C@H]([NH2+]Cc1c[nH]cn1)c1cccc(Cl)c1 ZINC000054764178 384850562 /nfs/dbraw/zinc/85/05/62/384850562.db2.gz HGMPIIXHKBWQOC-ZDUSSCGKSA-N 1 2 249.745 3.304 20 0 BGADLO CC[C@@H]([NH2+]Cc1c[nH]cn1)c1cccc(Cl)c1 ZINC000054764181 343661627 /nfs/dbraw/zinc/66/16/27/343661627.db2.gz HGMPIIXHKBWQOC-CYBMUJFWSA-N 1 2 249.745 3.304 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCc1cncs1 ZINC000054770609 178094901 /nfs/dbraw/zinc/09/49/01/178094901.db2.gz QPSHZTYQXDFBLQ-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO CCc1nc(C[NH2+][C@@H](C)c2ccco2)cs1 ZINC000054918191 358878280 /nfs/dbraw/zinc/87/82/80/358878280.db2.gz JRZPQTVXFSDCDV-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO CCc1nc(C[NH2+][C@H](C)c2ccco2)cs1 ZINC000054918192 358878896 /nfs/dbraw/zinc/87/88/96/358878896.db2.gz JRZPQTVXFSDCDV-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO Cc1nc(NCc2ccc(Cl)cc2)cc[nH+]1 ZINC000054935611 180200787 /nfs/dbraw/zinc/20/07/87/180200787.db2.gz LURVOUYZFGQOJA-UHFFFAOYSA-N 1 2 233.702 3.051 20 0 BGADLO Cc1nc(NCc2ccccc2Cl)cc[nH+]1 ZINC000054935678 180201043 /nfs/dbraw/zinc/20/10/43/180201043.db2.gz DZZISBBVGNDGSW-UHFFFAOYSA-N 1 2 233.702 3.051 20 0 BGADLO Cc1nc(NC2CCCCCCC2)cc[nH+]1 ZINC000054935681 640422670 /nfs/dbraw/zinc/42/26/70/640422670.db2.gz MIKHPNCIYRCHEJ-UHFFFAOYSA-N 1 2 219.332 3.310 20 0 BGADLO Cc1nc(N[C@@H]2CCC[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000054935711 358878918 /nfs/dbraw/zinc/87/89/18/358878918.db2.gz KVBXXWLGDSVOEX-JBLDHEPKSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000054935714 358878162 /nfs/dbraw/zinc/87/81/62/358878162.db2.gz KVBXXWLGDSVOEX-JFGNBEQYSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(NCCC2CCCCC2)cc[nH+]1 ZINC000054935928 358879537 /nfs/dbraw/zinc/87/95/37/358879537.db2.gz JFZWNBOKMIBSEB-UHFFFAOYSA-N 1 2 219.332 3.167 20 0 BGADLO CCC1CCC(CNc2cc[nH+]c(C)n2)CC1 ZINC000054935960 358879843 /nfs/dbraw/zinc/87/98/43/358879843.db2.gz MLSWPYNRVAAEKL-UHFFFAOYSA-N 1 2 233.359 3.413 20 0 BGADLO Cc1nc(NCC(C)(C)c2ccccc2)cc[nH+]1 ZINC000054935966 358879599 /nfs/dbraw/zinc/87/95/99/358879599.db2.gz PUTDXTVEGJCXPZ-UHFFFAOYSA-N 1 2 241.338 3.175 20 0 BGADLO Cc1nc(NCCC2=CCCCC2)cc[nH+]1 ZINC000054936059 180197433 /nfs/dbraw/zinc/19/74/33/180197433.db2.gz VVNHTDAVPRWHIV-UHFFFAOYSA-N 1 2 217.316 3.087 20 0 BGADLO Cc1nc(NCCc2ccc(Cl)cc2)cc[nH+]1 ZINC000054936139 358879867 /nfs/dbraw/zinc/87/98/67/358879867.db2.gz GMWDILSPMBJYMT-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO CCCCC[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000054936166 640424359 /nfs/dbraw/zinc/42/43/59/640424359.db2.gz WMJOBCDTRYSRJS-SNVBAGLBSA-N 1 2 207.321 3.166 20 0 BGADLO CCCCC[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000054936168 640423514 /nfs/dbraw/zinc/42/35/14/640423514.db2.gz WMJOBCDTRYSRJS-JTQLQIEISA-N 1 2 207.321 3.166 20 0 BGADLO CC[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000054936172 358879859 /nfs/dbraw/zinc/87/98/59/358879859.db2.gz JNDGHACCPCGKII-NEPJUHHUSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC000054936175 387829117 /nfs/dbraw/zinc/82/91/17/387829117.db2.gz JNDGHACCPCGKII-RYUDHWBXSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000054936178 358879838 /nfs/dbraw/zinc/87/98/38/358879838.db2.gz JNDGHACCPCGKII-VXGBXAGGSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@H]1CCCC[C@H]1Nc1cc[nH+]c(C)n1 ZINC000054936180 387829206 /nfs/dbraw/zinc/82/92/06/387829206.db2.gz JNDGHACCPCGKII-NWDGAFQWSA-N 1 2 219.332 3.166 20 0 BGADLO CCC1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000054936182 387829224 /nfs/dbraw/zinc/82/92/24/387829224.db2.gz NEDKVYRJLHXKQS-UHFFFAOYSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1nc(N[C@@H](C)CCCC(C)C)cc[nH+]1 ZINC000054936193 358879607 /nfs/dbraw/zinc/87/96/07/358879607.db2.gz GEEORAKVZQGQJD-NSHDSACASA-N 1 2 221.348 3.412 20 0 BGADLO Cc1nc(N[C@H](C)CCCC(C)C)cc[nH+]1 ZINC000054936195 358879361 /nfs/dbraw/zinc/87/93/61/358879361.db2.gz GEEORAKVZQGQJD-LLVKDONJSA-N 1 2 221.348 3.412 20 0 BGADLO Cc1ccc([C@@H](C)Nc2cc[nH+]c(C)n2)s1 ZINC000054936207 180205136 /nfs/dbraw/zinc/20/51/36/180205136.db2.gz HLBJFIMBZKWACJ-SECBINFHSA-N 1 2 233.340 3.328 20 0 BGADLO Cc1ccc([C@H](C)Nc2cc[nH+]c(C)n2)s1 ZINC000054936209 180203148 /nfs/dbraw/zinc/20/31/48/180203148.db2.gz HLBJFIMBZKWACJ-VIFPVBQESA-N 1 2 233.340 3.328 20 0 BGADLO Cc1ccccc1[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000054936264 180204962 /nfs/dbraw/zinc/20/49/62/180204962.db2.gz NNPIFISCYVVAIG-LLVKDONJSA-N 1 2 227.311 3.267 20 0 BGADLO CC[C@H](Nc1cc[nH+]c(C)n1)c1cccs1 ZINC000054936275 386155675 /nfs/dbraw/zinc/15/56/75/386155675.db2.gz ICOKPSJULBKQEQ-JTQLQIEISA-N 1 2 233.340 3.410 20 0 BGADLO CC[C@@H](Nc1cc[nH+]c(C)n1)c1cccs1 ZINC000054936277 353348002 /nfs/dbraw/zinc/34/80/02/353348002.db2.gz ICOKPSJULBKQEQ-SNVBAGLBSA-N 1 2 233.340 3.410 20 0 BGADLO Cc1ccc([C@@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC000054936298 384863125 /nfs/dbraw/zinc/86/31/25/384863125.db2.gz ARPSPKPHSDOLJN-LLVKDONJSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1ccc([C@H](C)Nc2cc[nH+]c(C)n2)cc1 ZINC000054936300 178901393 /nfs/dbraw/zinc/90/13/93/178901393.db2.gz ARPSPKPHSDOLJN-NSHDSACASA-N 1 2 227.311 3.267 20 0 BGADLO Cc1nc(NC[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000054936325 180201474 /nfs/dbraw/zinc/20/14/74/180201474.db2.gz KCYHALXZLSFBBV-JQWIXIFHSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1nc(NC[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000054936327 180199941 /nfs/dbraw/zinc/19/99/41/180199941.db2.gz KCYHALXZLSFBBV-CMPLNLGQSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1nc(NC[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000054936329 180201031 /nfs/dbraw/zinc/20/10/31/180201031.db2.gz KCYHALXZLSFBBV-PWSUYJOCSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1nc(NC[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000054936331 180200138 /nfs/dbraw/zinc/20/01/38/180200138.db2.gz KCYHALXZLSFBBV-ZYHUDNBSSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1nc(N[C@@H](C)CCc2ccccc2)cc[nH+]1 ZINC000054936338 180202433 /nfs/dbraw/zinc/20/24/33/180202433.db2.gz RCCPLHHJLXYFGJ-LBPRGKRZSA-N 1 2 241.338 3.218 20 0 BGADLO Cc1nc(N[C@H](C)CCc2ccccc2)cc[nH+]1 ZINC000054936340 180206042 /nfs/dbraw/zinc/20/60/42/180206042.db2.gz RCCPLHHJLXYFGJ-GFCCVEGCSA-N 1 2 241.338 3.218 20 0 BGADLO Cc1cc([C@@H](C)Nc2cc[nH+]c(C)n2)c(C)o1 ZINC000054936381 358879888 /nfs/dbraw/zinc/87/98/88/358879888.db2.gz HXHYSSOTPPHKAS-SECBINFHSA-N 1 2 231.299 3.168 20 0 BGADLO Cc1cc([C@H](C)Nc2cc[nH+]c(C)n2)c(C)o1 ZINC000054936384 358879762 /nfs/dbraw/zinc/87/97/62/358879762.db2.gz HXHYSSOTPPHKAS-VIFPVBQESA-N 1 2 231.299 3.168 20 0 BGADLO CC[C@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC000054936494 384862918 /nfs/dbraw/zinc/86/29/18/384862918.db2.gz PXVIBUQVQAJEQH-ZDUSSCGKSA-N 1 2 227.311 3.348 20 0 BGADLO CC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccc1 ZINC000054936496 343663295 /nfs/dbraw/zinc/66/32/95/343663295.db2.gz PXVIBUQVQAJEQH-CYBMUJFWSA-N 1 2 227.311 3.348 20 0 BGADLO Cc1nc(N[C@@H]2CCCc3ccccc32)cc[nH+]1 ZINC000054936505 180202236 /nfs/dbraw/zinc/20/22/36/180202236.db2.gz ZPTIQBANCZVPOB-CQSZACIVSA-N 1 2 239.322 3.275 20 0 BGADLO Cc1nc(N[C@@H](C)C2CCCCC2)cc[nH+]1 ZINC000054936553 180202801 /nfs/dbraw/zinc/20/28/01/180202801.db2.gz ASIHFADQNXEMIM-JTQLQIEISA-N 1 2 219.332 3.166 20 0 BGADLO Cc1nc(N[C@H](C)C2CCCCC2)cc[nH+]1 ZINC000054936556 180205472 /nfs/dbraw/zinc/20/54/72/180205472.db2.gz ASIHFADQNXEMIM-SNVBAGLBSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1nc(NCc2cccc(Cl)c2)cc[nH+]1 ZINC000054936595 180200011 /nfs/dbraw/zinc/20/00/11/180200011.db2.gz WNXHGQZGXQJZRX-UHFFFAOYSA-N 1 2 233.702 3.051 20 0 BGADLO CC[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000055293177 409960644 /nfs/dbraw/zinc/96/06/44/409960644.db2.gz AYJLEUCDBHNLPL-SNVBAGLBSA-N 1 2 243.310 3.061 20 0 BGADLO CC[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000055293178 411396991 /nfs/dbraw/zinc/39/69/91/411396991.db2.gz AYJLEUCDBHNLPL-JTQLQIEISA-N 1 2 243.310 3.061 20 0 BGADLO Cc1ccc(CNc2ccccc2)c(C)[nH+]1 ZINC000055330875 386167060 /nfs/dbraw/zinc/16/70/60/386167060.db2.gz URHUUPBOMPMSJR-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO C[C@@H](c1cc(F)ccc1F)[NH+]1CCSCC1 ZINC000056284738 368467970 /nfs/dbraw/zinc/46/79/70/368467970.db2.gz IOWJCOVBFVWXNZ-VIFPVBQESA-N 1 2 243.322 3.075 20 0 BGADLO C[C@H](c1cc(F)ccc1F)[NH+]1CCSCC1 ZINC000056284739 368468763 /nfs/dbraw/zinc/46/87/63/368468763.db2.gz IOWJCOVBFVWXNZ-SECBINFHSA-N 1 2 243.322 3.075 20 0 BGADLO CC[N@H+](Cc1cscn1)Cc1cccs1 ZINC000057600846 368496242 /nfs/dbraw/zinc/49/62/42/368496242.db2.gz PIEVWQWAKJTPFN-UHFFFAOYSA-N 1 2 238.381 3.227 20 0 BGADLO CC[N@@H+](Cc1cscn1)Cc1cccs1 ZINC000057600846 368496236 /nfs/dbraw/zinc/49/62/36/368496236.db2.gz PIEVWQWAKJTPFN-UHFFFAOYSA-N 1 2 238.381 3.227 20 0 BGADLO Cc1ccc(CNc2ccc([NH+](C)C)cc2)o1 ZINC000057611178 384959025 /nfs/dbraw/zinc/95/90/25/384959025.db2.gz KZOWHNKELLCWNF-UHFFFAOYSA-N 1 2 230.311 3.266 20 0 BGADLO C[NH+](C)c1ccc(NCc2ccsc2)cc1 ZINC000057611186 640623932 /nfs/dbraw/zinc/62/39/32/640623932.db2.gz LSDNTRXNJTVTFM-UHFFFAOYSA-N 1 2 232.352 3.426 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCc1cccnc1 ZINC000057667910 178095376 /nfs/dbraw/zinc/09/53/76/178095376.db2.gz UUSNEHCEIOTCEZ-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCc1ccco1 ZINC000057667911 178094755 /nfs/dbraw/zinc/09/47/55/178094755.db2.gz IYTHOSGCSHAGKN-UHFFFAOYSA-N 1 2 230.311 3.266 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCc1ccncc1 ZINC000057667919 178094812 /nfs/dbraw/zinc/09/48/12/178094812.db2.gz ROSUFBYBDQVGSG-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCc1ccccn1 ZINC000057667945 178094505 /nfs/dbraw/zinc/09/45/05/178094505.db2.gz LPFVPHMMQRERLG-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO c1cc(N2CCCCC2)ccc1[NH2+]CC1CC1 ZINC000057708285 132366156 /nfs/dbraw/zinc/36/61/56/132366156.db2.gz RFSUJBLKOLRORQ-UHFFFAOYSA-N 1 2 230.355 3.499 20 0 BGADLO CCCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000057824844 368500780 /nfs/dbraw/zinc/50/07/80/368500780.db2.gz KBPHRYLMTOGUDX-UHFFFAOYSA-N 1 2 242.326 3.059 20 0 BGADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1cscn1 ZINC000057977737 368505953 /nfs/dbraw/zinc/50/59/53/368505953.db2.gz KKUQXDBLUYURCJ-VIFPVBQESA-N 1 2 238.381 3.398 20 0 BGADLO C[C@@H](c1cccs1)[N@H+](C)Cc1cscn1 ZINC000057977737 368505951 /nfs/dbraw/zinc/50/59/51/368505951.db2.gz KKUQXDBLUYURCJ-VIFPVBQESA-N 1 2 238.381 3.398 20 0 BGADLO C[C@H](c1cccs1)[N@@H+](C)Cc1cscn1 ZINC000057977748 368505312 /nfs/dbraw/zinc/50/53/12/368505312.db2.gz KKUQXDBLUYURCJ-SECBINFHSA-N 1 2 238.381 3.398 20 0 BGADLO C[C@H](c1cccs1)[N@H+](C)Cc1cscn1 ZINC000057977748 368505309 /nfs/dbraw/zinc/50/53/09/368505309.db2.gz KKUQXDBLUYURCJ-SECBINFHSA-N 1 2 238.381 3.398 20 0 BGADLO C[C@@H](Cc1ccc(F)cc1)Nc1cccc[nH+]1 ZINC000058002915 358909503 /nfs/dbraw/zinc/90/95/03/358909503.db2.gz KKOOYGMBLYZKMZ-NSHDSACASA-N 1 2 230.286 3.264 20 0 BGADLO C[C@H](Cc1ccc(F)cc1)Nc1cccc[nH+]1 ZINC000058002918 358908903 /nfs/dbraw/zinc/90/89/03/358908903.db2.gz KKOOYGMBLYZKMZ-LLVKDONJSA-N 1 2 230.286 3.264 20 0 BGADLO C#CC[N@H+](CC=C)Cc1ccc(Cl)s1 ZINC000058013814 640664178 /nfs/dbraw/zinc/66/41/78/640664178.db2.gz AOOPXYAIQXXPSW-UHFFFAOYSA-N 1 2 225.744 3.023 20 0 BGADLO C#CC[N@@H+](CC=C)Cc1ccc(Cl)s1 ZINC000058013814 640664173 /nfs/dbraw/zinc/66/41/73/640664173.db2.gz AOOPXYAIQXXPSW-UHFFFAOYSA-N 1 2 225.744 3.023 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCc1cscn1 ZINC000058335274 178094498 /nfs/dbraw/zinc/09/44/98/178094498.db2.gz AXMUJEWJWMCMCN-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO c1c2ccccc2[nH]c1CNc1cccc[nH+]1 ZINC000058544124 343700911 /nfs/dbraw/zinc/70/09/11/343700911.db2.gz FFVOQQWHXHEIGK-UHFFFAOYSA-N 1 2 223.279 3.175 20 0 BGADLO CC1CCC(CNc2cccc[nH+]2)CC1 ZINC000058610061 168157232 /nfs/dbraw/zinc/15/72/32/168157232.db2.gz PERKBNNPAVSSFX-UHFFFAOYSA-N 1 2 204.317 3.320 20 0 BGADLO CC(C)[NH2+]c1ccc(N2CCCCC2)cc1 ZINC000058798377 132368490 /nfs/dbraw/zinc/36/84/90/132368490.db2.gz JFRFJXPGDMLFRR-UHFFFAOYSA-N 1 2 218.344 3.497 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccccc2)cs1 ZINC000058873792 385032729 /nfs/dbraw/zinc/03/27/29/385032729.db2.gz AZKMGWFAYZVNFU-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccccc2)cs1 ZINC000058873792 385032721 /nfs/dbraw/zinc/03/27/21/385032721.db2.gz AZKMGWFAYZVNFU-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO CC[N@@H+](Cc1cscn1)Cc1ccccc1C ZINC000058919216 368525752 /nfs/dbraw/zinc/52/57/52/368525752.db2.gz DINVASFTIXSTLA-UHFFFAOYSA-N 1 2 246.379 3.474 20 0 BGADLO CC[N@H+](Cc1cscn1)Cc1ccccc1C ZINC000058919216 368525747 /nfs/dbraw/zinc/52/57/47/368525747.db2.gz DINVASFTIXSTLA-UHFFFAOYSA-N 1 2 246.379 3.474 20 0 BGADLO Cc1nc(CNc2ccc([NH+](C)C)cc2)cs1 ZINC000058946923 385037206 /nfs/dbraw/zinc/03/72/06/385037206.db2.gz KUWMAPTVYGVLJQ-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO Clc1cccc(Cn2cc[nH+]c2)c1Cl ZINC000059142699 344355551 /nfs/dbraw/zinc/35/55/51/344355551.db2.gz AFFNTBNRIFWAMK-UHFFFAOYSA-N 1 2 227.094 3.238 20 0 BGADLO C[C@@H](c1c(F)cccc1F)[NH+]1CCSCC1 ZINC000059386009 343709057 /nfs/dbraw/zinc/70/90/57/343709057.db2.gz ODDNPDDLXPMBEQ-VIFPVBQESA-N 1 2 243.322 3.075 20 0 BGADLO C[C@H](c1c(F)cccc1F)[NH+]1CCSCC1 ZINC000059386010 368532171 /nfs/dbraw/zinc/53/21/71/368532171.db2.gz ODDNPDDLXPMBEQ-SECBINFHSA-N 1 2 243.322 3.075 20 0 BGADLO Cc1ccc2ccccc2c1Cn1cc[nH+]c1 ZINC000059601911 368533129 /nfs/dbraw/zinc/53/31/29/368533129.db2.gz XMZQHRBYYYBDJW-UHFFFAOYSA-N 1 2 222.291 3.393 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCc1cccn1C ZINC000060123333 178095627 /nfs/dbraw/zinc/09/56/27/178095627.db2.gz UELRNNGCKXZEOB-UHFFFAOYSA-N 1 2 243.354 3.012 20 0 BGADLO Cc1ccccc1CCNc1cccc[nH+]1 ZINC000060462540 179267119 /nfs/dbraw/zinc/26/71/19/179267119.db2.gz CHWBWEDDUVPFQF-UHFFFAOYSA-N 1 2 212.296 3.045 20 0 BGADLO Clc1cccc(CCNc2cccc[nH+]2)c1 ZINC000060462550 368543433 /nfs/dbraw/zinc/54/34/33/368543433.db2.gz DMXTYYJPSNPUCJ-UHFFFAOYSA-N 1 2 232.714 3.390 20 0 BGADLO CN(Cc1ccc(Cl)s1)c1cccc[nH+]1 ZINC000060462629 368541591 /nfs/dbraw/zinc/54/15/91/368541591.db2.gz QJLICFRVMPYHAT-UHFFFAOYSA-N 1 2 238.743 3.433 20 0 BGADLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@@H](C)C1 ZINC000060466611 368542520 /nfs/dbraw/zinc/54/25/20/368542520.db2.gz OKGDNWGQTYVLQY-WDEREUQCSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@@H](C)C1 ZINC000060466611 368542516 /nfs/dbraw/zinc/54/25/16/368542516.db2.gz OKGDNWGQTYVLQY-WDEREUQCSA-N 1 2 239.746 3.122 20 0 BGADLO Clc1ccc(C[NH2+]Cc2cscn2)s1 ZINC000060523669 134794735 /nfs/dbraw/zinc/79/47/35/134794735.db2.gz KMJMCJLMDKFAFD-UHFFFAOYSA-N 1 2 244.772 3.148 20 0 BGADLO c1nc(C[NH2+]Cc2cc3ccccc3o2)cs1 ZINC000060526574 324038932 /nfs/dbraw/zinc/03/89/32/324038932.db2.gz BEFWSAPTUTZOKB-UHFFFAOYSA-N 1 2 244.319 3.179 20 0 BGADLO Cc1ccsc1CN(C)c1cccc[nH+]1 ZINC000060551725 368545758 /nfs/dbraw/zinc/54/57/58/368545758.db2.gz HVOJZOCKDLPOEQ-UHFFFAOYSA-N 1 2 218.325 3.088 20 0 BGADLO c1[nH+]c(SCc2ccncc2)n2ccccc12 ZINC000060710059 358928912 /nfs/dbraw/zinc/92/89/12/358928912.db2.gz DXKIVIVADYBZNF-UHFFFAOYSA-N 1 2 241.319 3.022 20 0 BGADLO Cc1ccccc1CC/[NH+]=C/c1ccccc1O ZINC000060804589 711835676 /nfs/dbraw/zinc/83/56/76/711835676.db2.gz JVFFUZCPOBAOIR-SFQUDFHCSA-N 1 2 239.318 3.362 20 0 BGADLO Oc1cccc(/C=[NH+]/CCC2=CCCCC2)c1O ZINC000060804653 711835736 /nfs/dbraw/zinc/83/57/36/711835736.db2.gz QJVFWAQCHBZUBH-LFIBNONCSA-N 1 2 245.322 3.407 20 0 BGADLO CC1CCC(N(C)c2cccc[nH+]2)CC1 ZINC000060847358 368554428 /nfs/dbraw/zinc/55/44/28/368554428.db2.gz WYHYMMBOLGTKEZ-UHFFFAOYSA-N 1 2 204.317 3.097 20 0 BGADLO C[C@@H](Nc1cccc[nH+]1)c1ccc2c(c1)CCO2 ZINC000060863153 711836632 /nfs/dbraw/zinc/83/66/32/711836632.db2.gz RKTNEBKTKJLWCF-LLVKDONJSA-N 1 2 240.306 3.190 20 0 BGADLO COc1ccc(C)cc1CCNc1cccc[nH+]1 ZINC000061174219 368560190 /nfs/dbraw/zinc/56/01/90/368560190.db2.gz TZYWSJGQUXRSGE-UHFFFAOYSA-N 1 2 242.322 3.053 20 0 BGADLO COc1ccc([C@H](C)Nc2cccc[nH+]2)cc1F ZINC000061174401 368560203 /nfs/dbraw/zinc/56/02/03/368560203.db2.gz RXUMPFIRRBCSRS-JTQLQIEISA-N 1 2 246.285 3.402 20 0 BGADLO C[C@H]([NH2+]Cc1cscn1)c1ccsc1 ZINC000061361822 176882327 /nfs/dbraw/zinc/88/23/27/176882327.db2.gz GFHOHRNXOVQZLM-QMMMGPOBSA-N 1 2 224.354 3.055 20 0 BGADLO C[C@@H]([NH2+]Cc1cscn1)c1ccsc1 ZINC000061361823 386514269 /nfs/dbraw/zinc/51/42/69/386514269.db2.gz GFHOHRNXOVQZLM-MRVPVSSYSA-N 1 2 224.354 3.055 20 0 BGADLO Cc1nc(C[NH2+][C@@H](C)c2ccsc2)oc1C ZINC000061363469 487473279 /nfs/dbraw/zinc/47/32/79/487473279.db2.gz PKTXUBPIJZWFSY-VIFPVBQESA-N 1 2 236.340 3.204 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2ccsc2)oc1C ZINC000061363471 487472978 /nfs/dbraw/zinc/47/29/78/487472978.db2.gz PKTXUBPIJZWFSY-SECBINFHSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1nc(N[C@@H]2CCCc3sccc32)cc[nH+]1 ZINC000061364116 180202714 /nfs/dbraw/zinc/20/27/14/180202714.db2.gz YNNWOAZKOCSCQN-LLVKDONJSA-N 1 2 245.351 3.336 20 0 BGADLO Cc1nc(N[C@H]2CCCc3sccc32)cc[nH+]1 ZINC000061364118 180205735 /nfs/dbraw/zinc/20/57/35/180205735.db2.gz YNNWOAZKOCSCQN-NSHDSACASA-N 1 2 245.351 3.336 20 0 BGADLO Cc1cc(N[C@@H]2CCCc3sccc32)nc[nH+]1 ZINC000061364142 386454465 /nfs/dbraw/zinc/45/44/65/386454465.db2.gz BLUHGUQNOBFCCS-LLVKDONJSA-N 1 2 245.351 3.336 20 0 BGADLO Cc1cc(N[C@H]2CCCc3sccc32)nc[nH+]1 ZINC000061364143 178190467 /nfs/dbraw/zinc/19/04/67/178190467.db2.gz BLUHGUQNOBFCCS-NSHDSACASA-N 1 2 245.351 3.336 20 0 BGADLO Cc1nc(N[C@@H](C)c2ccsc2)cc[nH+]1 ZINC000061364444 180202414 /nfs/dbraw/zinc/20/24/14/180202414.db2.gz UVEGELCSHSBKDR-QMMMGPOBSA-N 1 2 219.313 3.020 20 0 BGADLO Cc1nc(N[C@H](C)c2ccsc2)cc[nH+]1 ZINC000061364447 180205770 /nfs/dbraw/zinc/20/57/70/180205770.db2.gz UVEGELCSHSBKDR-MRVPVSSYSA-N 1 2 219.313 3.020 20 0 BGADLO Cc1cc(N[C@@H](C)c2ccsc2)nc[nH+]1 ZINC000061364469 178181012 /nfs/dbraw/zinc/18/10/12/178181012.db2.gz UIPRUYUGWMMETR-VIFPVBQESA-N 1 2 219.313 3.020 20 0 BGADLO Cc1cc(N[C@H](C)c2ccsc2)nc[nH+]1 ZINC000061364470 178187230 /nfs/dbraw/zinc/18/72/30/178187230.db2.gz UIPRUYUGWMMETR-SECBINFHSA-N 1 2 219.313 3.020 20 0 BGADLO CCc1cc(N[C@@H](C)c2ccsc2)nc[nH+]1 ZINC000061364471 487473186 /nfs/dbraw/zinc/47/31/86/487473186.db2.gz KTDQUYQXCIWWMF-VIFPVBQESA-N 1 2 233.340 3.274 20 0 BGADLO CCc1cc(N[C@H](C)c2ccsc2)nc[nH+]1 ZINC000061364472 487473236 /nfs/dbraw/zinc/47/32/36/487473236.db2.gz KTDQUYQXCIWWMF-SECBINFHSA-N 1 2 233.340 3.274 20 0 BGADLO C[C@H](Nc1cccc[nH+]1)c1ccsc1 ZINC000061364524 384412093 /nfs/dbraw/zinc/41/20/93/384412093.db2.gz TZWGXXHVTWRMIB-VIFPVBQESA-N 1 2 204.298 3.316 20 0 BGADLO C[C@@H](Nc1cccc[nH+]1)c1ccsc1 ZINC000061364525 384413643 /nfs/dbraw/zinc/41/36/43/384413643.db2.gz TZWGXXHVTWRMIB-SECBINFHSA-N 1 2 204.298 3.316 20 0 BGADLO COc1ccc([NH2+][C@@H](C)C2CC2)c(C)c1 ZINC000061565733 175153488 /nfs/dbraw/zinc/15/34/88/175153488.db2.gz RGOCIACEJKLEPG-JTQLQIEISA-N 1 2 205.301 3.214 20 0 BGADLO COc1ccc([NH2+][C@H](C)C2CC2)c(C)c1 ZINC000061565734 175154597 /nfs/dbraw/zinc/15/45/97/175154597.db2.gz RGOCIACEJKLEPG-SNVBAGLBSA-N 1 2 205.301 3.214 20 0 BGADLO COc1ccc([NH2+]C2CCSCC2)c(C)c1 ZINC000061566286 175149906 /nfs/dbraw/zinc/14/99/06/175149906.db2.gz OQCIOQZINVHVJS-UHFFFAOYSA-N 1 2 237.368 3.311 20 0 BGADLO CN(C)c1ccc([NH2+][C@@H]2CCCSC2)cc1 ZINC000061573388 385122925 /nfs/dbraw/zinc/12/29/25/385122925.db2.gz CYIBKSYLRYSSMA-GFCCVEGCSA-N 1 2 236.384 3.060 20 0 BGADLO C[NH+](C)c1ccc(N[C@@H]2CCCSC2)cc1 ZINC000061573388 385122917 /nfs/dbraw/zinc/12/29/17/385122917.db2.gz CYIBKSYLRYSSMA-GFCCVEGCSA-N 1 2 236.384 3.060 20 0 BGADLO CN(C)c1ccc([NH2+][C@H]2CCCSC2)cc1 ZINC000061573390 385122750 /nfs/dbraw/zinc/12/27/50/385122750.db2.gz CYIBKSYLRYSSMA-LBPRGKRZSA-N 1 2 236.384 3.060 20 0 BGADLO C[NH+](C)c1ccc(N[C@H]2CCCSC2)cc1 ZINC000061573390 385122742 /nfs/dbraw/zinc/12/27/42/385122742.db2.gz CYIBKSYLRYSSMA-LBPRGKRZSA-N 1 2 236.384 3.060 20 0 BGADLO FC(F)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626722 385129169 /nfs/dbraw/zinc/12/91/69/385129169.db2.gz RZUSLJBPOJHJRP-UHFFFAOYSA-N 1 2 239.187 3.060 20 0 BGADLO FC(F)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000061626827 385128501 /nfs/dbraw/zinc/12/85/01/385128501.db2.gz MMPJWSSPVXUVRT-UHFFFAOYSA-N 1 2 239.187 3.060 20 0 BGADLO Clc1ccc(Cl)c(C[NH+]2CCCCC2)n1 ZINC000061630331 385128359 /nfs/dbraw/zinc/12/83/59/385128359.db2.gz XYLNOTDYMLYJMQ-UHFFFAOYSA-N 1 2 245.153 3.374 20 0 BGADLO CCc1ccc(C[N@@H+](C)Cc2cc(C)on2)cc1 ZINC000061760802 385138931 /nfs/dbraw/zinc/13/89/31/385138931.db2.gz OKDUSEHRBZFAPE-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1ccc(C[N@H+](C)Cc2cc(C)on2)cc1 ZINC000061760802 385138926 /nfs/dbraw/zinc/13/89/26/385138926.db2.gz OKDUSEHRBZFAPE-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO COc1ccc(F)cc1C[N@@H+](C)Cc1ccco1 ZINC000061783383 368568871 /nfs/dbraw/zinc/56/88/71/368568871.db2.gz DKYGZHMUPZNVOF-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO COc1ccc(F)cc1C[N@H+](C)Cc1ccco1 ZINC000061783383 368568866 /nfs/dbraw/zinc/56/88/66/368568866.db2.gz DKYGZHMUPZNVOF-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO CC[N@H+](Cc1cc(C)on1)Cc1cccs1 ZINC000061785509 343729306 /nfs/dbraw/zinc/72/93/06/343729306.db2.gz DBNSHVYKLWITMB-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CC[N@@H+](Cc1cc(C)on1)Cc1cccs1 ZINC000061785509 343729305 /nfs/dbraw/zinc/72/93/05/343729305.db2.gz DBNSHVYKLWITMB-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccccc2)no1 ZINC000061801519 188128185 /nfs/dbraw/zinc/12/81/85/188128185.db2.gz BBNNTYVQLGKEKA-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccccc2)no1 ZINC000061801519 188128184 /nfs/dbraw/zinc/12/81/84/188128184.db2.gz BBNNTYVQLGKEKA-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO CC1(C)CC[NH+](CC(=O)c2ccccc2F)CC1 ZINC000061820716 411191230 /nfs/dbraw/zinc/19/12/30/411191230.db2.gz XXSAXAMFKGUIFJ-UHFFFAOYSA-N 1 2 249.329 3.130 20 0 BGADLO CC(C)(C)CC[NH2+]c1ccc2c(c1)CCO2 ZINC000061839396 641000690 /nfs/dbraw/zinc/00/06/90/641000690.db2.gz HLLDMMBJXVAUAD-UHFFFAOYSA-N 1 2 219.328 3.470 20 0 BGADLO Cc1nc(NCC[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000061910834 398109134 /nfs/dbraw/zinc/10/91/34/398109134.db2.gz QGCJBTTYTZBBDK-GFCCVEGCSA-N 1 2 241.338 3.391 20 0 BGADLO Cc1nc(NCC[C@H](C)c2ccccc2)cc[nH+]1 ZINC000061910835 398109399 /nfs/dbraw/zinc/10/93/99/398109399.db2.gz QGCJBTTYTZBBDK-LBPRGKRZSA-N 1 2 241.338 3.391 20 0 BGADLO Cc1cc(NCC[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000061910844 178162168 /nfs/dbraw/zinc/16/21/68/178162168.db2.gz HNSHEAFIXLHZJG-GFCCVEGCSA-N 1 2 241.338 3.391 20 0 BGADLO Cc1cc(NCC[C@H](C)c2ccccc2)nc[nH+]1 ZINC000061910845 178163505 /nfs/dbraw/zinc/16/35/05/178163505.db2.gz HNSHEAFIXLHZJG-LBPRGKRZSA-N 1 2 241.338 3.391 20 0 BGADLO c1cn2c(cccc2-c2ccsc2)[nH+]1 ZINC000061929575 641192725 /nfs/dbraw/zinc/19/27/25/641192725.db2.gz YCIFPPYTKKYBGC-UHFFFAOYSA-N 1 2 200.266 3.063 20 0 BGADLO COc1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC000061930694 175234089 /nfs/dbraw/zinc/23/40/89/175234089.db2.gz IALKPCGWNFOQFI-UHFFFAOYSA-N 1 2 224.263 3.010 20 0 BGADLO Cc1nc([C@H](C)[NH2+]Cc2ccc(C)nc2)cs1 ZINC000062051263 385151544 /nfs/dbraw/zinc/15/15/44/385151544.db2.gz DATSUTUIWBYZMV-JTQLQIEISA-N 1 2 247.367 3.006 20 0 BGADLO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C)nc2)cs1 ZINC000062051264 385150546 /nfs/dbraw/zinc/15/05/46/385150546.db2.gz DATSUTUIWBYZMV-SNVBAGLBSA-N 1 2 247.367 3.006 20 0 BGADLO C[C@H]([NH2+]Cc1ccoc1)c1c(F)cccc1F ZINC000062103687 641021982 /nfs/dbraw/zinc/02/19/82/641021982.db2.gz RIYGSNLIAHOOCO-VIFPVBQESA-N 1 2 237.249 3.409 20 0 BGADLO C[C@@H]([NH2+]Cc1ccoc1)c1c(F)cccc1F ZINC000062103688 641021543 /nfs/dbraw/zinc/02/15/43/641021543.db2.gz RIYGSNLIAHOOCO-SECBINFHSA-N 1 2 237.249 3.409 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCc1ccoc1 ZINC000063047005 641122923 /nfs/dbraw/zinc/12/29/23/641122923.db2.gz LOHMVPGOORILJU-UHFFFAOYSA-N 1 2 230.311 3.266 20 0 BGADLO c1cn(-c2cccc(NCc3ccoc3)c2)c[nH+]1 ZINC000063047016 183357129 /nfs/dbraw/zinc/35/71/29/183357129.db2.gz AWPMXXSKELHPIP-UHFFFAOYSA-N 1 2 239.278 3.077 20 0 BGADLO CCN(CC)c1ccc(NCc2ccoc2)c[nH+]1 ZINC000063047114 641122069 /nfs/dbraw/zinc/12/20/69/641122069.db2.gz HZPKNPQOSCULTE-UHFFFAOYSA-N 1 2 245.326 3.133 20 0 BGADLO c1cc(CNc2ccc([NH+]3CCCC3)cc2)co1 ZINC000063047240 641122527 /nfs/dbraw/zinc/12/25/27/641122527.db2.gz WALPFSUGTRPNRI-UHFFFAOYSA-N 1 2 242.322 3.492 20 0 BGADLO Cc1cc(NCCC(F)(F)F)nc(C(C)C)[nH+]1 ZINC000063100624 357526200 /nfs/dbraw/zinc/52/62/00/357526200.db2.gz NXQYITPLYJKRIA-UHFFFAOYSA-N 1 2 247.264 3.273 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NCC1CC1 ZINC000063105596 178298694 /nfs/dbraw/zinc/29/86/94/178298694.db2.gz LCQAAHAKJLHVRL-UHFFFAOYSA-N 1 2 212.296 3.365 20 0 BGADLO CCOCCCNc1[nH+]c2ccccc2cc1C ZINC000063105655 170384302 /nfs/dbraw/zinc/38/43/02/170384302.db2.gz PELATUJBUXGXHD-UHFFFAOYSA-N 1 2 244.338 3.382 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NC[C@@H]1CCCO1 ZINC000063105657 178298714 /nfs/dbraw/zinc/29/87/14/178298714.db2.gz WFZPWFDNOVCWGH-ZDUSSCGKSA-N 1 2 242.322 3.134 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NC[C@H]1CCCO1 ZINC000063105659 178299089 /nfs/dbraw/zinc/29/90/89/178299089.db2.gz WFZPWFDNOVCWGH-CYBMUJFWSA-N 1 2 242.322 3.134 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NC1CCOCC1 ZINC000063105773 178299170 /nfs/dbraw/zinc/29/91/70/178299170.db2.gz UCTXONHHXMFEKG-UHFFFAOYSA-N 1 2 242.322 3.134 20 0 BGADLO COCCCCNc1[nH+]c2ccccc2cc1C ZINC000063106063 349505925 /nfs/dbraw/zinc/50/59/25/349505925.db2.gz IHTAYCCXXJGMCO-UHFFFAOYSA-N 1 2 244.338 3.382 20 0 BGADLO COC[C@H](C)CNc1[nH+]c2ccccc2cc1C ZINC000063106101 323099215 /nfs/dbraw/zinc/09/92/15/323099215.db2.gz NQMOEXPBRFPGDN-LLVKDONJSA-N 1 2 244.338 3.238 20 0 BGADLO COC[C@@H](C)CNc1[nH+]c2ccccc2cc1C ZINC000063106103 323099217 /nfs/dbraw/zinc/09/92/17/323099217.db2.gz NQMOEXPBRFPGDN-NSHDSACASA-N 1 2 244.338 3.238 20 0 BGADLO Cc1nc(NCC2CCC(C)CC2)cc[nH+]1 ZINC000063145927 357534594 /nfs/dbraw/zinc/53/45/94/357534594.db2.gz YQXZWCLIENAVAQ-UHFFFAOYSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1cc(NCC2CCC(C)CC2)nc[nH+]1 ZINC000063145933 178158577 /nfs/dbraw/zinc/15/85/77/178158577.db2.gz QKGXXSKTQHQWCL-UHFFFAOYSA-N 1 2 219.332 3.023 20 0 BGADLO CCc1cc(NCC2CCC(C)CC2)nc[nH+]1 ZINC000063145934 388659680 /nfs/dbraw/zinc/65/96/80/388659680.db2.gz IRHHOQIVPYFINR-UHFFFAOYSA-N 1 2 233.359 3.277 20 0 BGADLO C#CC[N@@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000063298084 641160365 /nfs/dbraw/zinc/16/03/65/641160365.db2.gz MJLLZMRZAOEOLX-UHFFFAOYSA-N 1 2 243.281 3.054 20 0 BGADLO C#CC[N@H+](Cc1ccco1)Cc1ccc(F)cc1 ZINC000063298084 641160360 /nfs/dbraw/zinc/16/03/60/641160360.db2.gz MJLLZMRZAOEOLX-UHFFFAOYSA-N 1 2 243.281 3.054 20 0 BGADLO Cc1cc2[nH+]cn(CCOC(C)(C)C)c2cc1C ZINC000063510608 322906744 /nfs/dbraw/zinc/90/67/44/322906744.db2.gz DSSVNISDEIYWKI-UHFFFAOYSA-N 1 2 246.354 3.468 20 0 BGADLO Cc1ccc(C)c(C[N@@H+](C)Cc2cscn2)c1 ZINC000063590414 357675789 /nfs/dbraw/zinc/67/57/89/357675789.db2.gz UUWDPUQUCWPRAA-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1ccc(C)c(C[N@H+](C)Cc2cscn2)c1 ZINC000063590414 357675782 /nfs/dbraw/zinc/67/57/82/357675782.db2.gz UUWDPUQUCWPRAA-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO CCc1nc(C[N@@H+](C)CC=C(C)C)cs1 ZINC000063593659 343499861 /nfs/dbraw/zinc/49/98/61/343499861.db2.gz QMFBQCPBMULTMR-UHFFFAOYSA-N 1 2 224.373 3.104 20 0 BGADLO CCc1nc(C[N@H+](C)CC=C(C)C)cs1 ZINC000063593659 343499860 /nfs/dbraw/zinc/49/98/60/343499860.db2.gz QMFBQCPBMULTMR-UHFFFAOYSA-N 1 2 224.373 3.104 20 0 BGADLO c1cn(Cc2csc(C3CCCC3)n2)c[nH+]1 ZINC000063993701 324006825 /nfs/dbraw/zinc/00/68/25/324006825.db2.gz TZJRODDAJHYBKB-UHFFFAOYSA-N 1 2 233.340 3.046 20 0 BGADLO C[N@@H+](Cc1csc(C2CCCC2)n1)C1CC1 ZINC000063994382 324004193 /nfs/dbraw/zinc/00/41/93/324004193.db2.gz XJAFXLIRBNXJOV-UHFFFAOYSA-N 1 2 236.384 3.395 20 0 BGADLO C[N@H+](Cc1csc(C2CCCC2)n1)C1CC1 ZINC000063994382 324004191 /nfs/dbraw/zinc/00/41/91/324004191.db2.gz XJAFXLIRBNXJOV-UHFFFAOYSA-N 1 2 236.384 3.395 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccccc2C)oc1C ZINC000064030964 368600794 /nfs/dbraw/zinc/60/07/94/368600794.db2.gz HRJDWCRJCBKKMN-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccccc2C)oc1C ZINC000064030964 368600792 /nfs/dbraw/zinc/60/07/92/368600792.db2.gz HRJDWCRJCBKKMN-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccc(C)cc2)oc1C ZINC000064031009 324068310 /nfs/dbraw/zinc/06/83/10/324068310.db2.gz SDWXADUJMQUWMC-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccc(C)cc2)oc1C ZINC000064031009 324068305 /nfs/dbraw/zinc/06/83/05/324068305.db2.gz SDWXADUJMQUWMC-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccc(F)cc2)oc1C ZINC000064137983 368602273 /nfs/dbraw/zinc/60/22/73/368602273.db2.gz PKYOZIZOEXODKA-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccc(F)cc2)oc1C ZINC000064137983 368602270 /nfs/dbraw/zinc/60/22/70/368602270.db2.gz PKYOZIZOEXODKA-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO CC1(C)COCC[N@H+]1Cc1ccc(Cl)s1 ZINC000064247672 368600815 /nfs/dbraw/zinc/60/08/15/368600815.db2.gz DSEKFYAACMNMQP-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)COCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000064247672 368600813 /nfs/dbraw/zinc/60/08/13/368600813.db2.gz DSEKFYAACMNMQP-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO C[N@@H+](C/C=C/c1ccccc1)Cc1cscn1 ZINC000064516959 357850120 /nfs/dbraw/zinc/85/01/20/357850120.db2.gz YFGSVTUJKMYZDB-VMPITWQZSA-N 1 2 244.363 3.288 20 0 BGADLO C[N@H+](C/C=C/c1ccccc1)Cc1cscn1 ZINC000064516959 357850117 /nfs/dbraw/zinc/85/01/17/357850117.db2.gz YFGSVTUJKMYZDB-VMPITWQZSA-N 1 2 244.363 3.288 20 0 BGADLO Cn1cc[nH+]c1CSc1ccccc1Cl ZINC000064652434 357850834 /nfs/dbraw/zinc/85/08/34/357850834.db2.gz BFQUVBPLHXSPLV-UHFFFAOYSA-N 1 2 238.743 3.366 20 0 BGADLO Cc1ccc(SCc2[nH+]ccn2C)cc1 ZINC000064652467 368609625 /nfs/dbraw/zinc/60/96/25/368609625.db2.gz YULSKAAPNODRGG-UHFFFAOYSA-N 1 2 218.325 3.021 20 0 BGADLO Cc1ccc(C)c(SCc2[nH+]ccn2C)c1 ZINC000064652680 368610729 /nfs/dbraw/zinc/61/07/29/368610729.db2.gz XDMBZJUAKJTVSP-UHFFFAOYSA-N 1 2 232.352 3.329 20 0 BGADLO Cc1ccccc1SCc1[nH+]ccn1C ZINC000064654286 368611637 /nfs/dbraw/zinc/61/16/37/368611637.db2.gz BDBSVNVHABPXPD-UHFFFAOYSA-N 1 2 218.325 3.021 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@H+](C)C[C@H](C)C#N ZINC000064796928 368614256 /nfs/dbraw/zinc/61/42/56/368614256.db2.gz DKTGFVXRGVLGEE-GHMZBOCLSA-N 1 2 236.746 3.492 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H](C)C#N ZINC000064796928 368614251 /nfs/dbraw/zinc/61/42/51/368614251.db2.gz DKTGFVXRGVLGEE-GHMZBOCLSA-N 1 2 236.746 3.492 20 0 BGADLO C[C@H](Cc1ccccc1F)Nc1cccc[nH+]1 ZINC000064915407 368615995 /nfs/dbraw/zinc/61/59/95/368615995.db2.gz UBVSWKWBTXYJNL-LLVKDONJSA-N 1 2 230.286 3.264 20 0 BGADLO COc1cc(CNc2cccc[nH+]2)ccc1C ZINC000064916390 135191072 /nfs/dbraw/zinc/19/10/72/135191072.db2.gz XYXXPPBMGGGPBY-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO CCCCc1nc(C[N@@H+](C)[C@H](C)CCC)no1 ZINC000064931970 368615724 /nfs/dbraw/zinc/61/57/24/368615724.db2.gz ZACBJNOROSILEJ-LLVKDONJSA-N 1 2 239.363 3.033 20 0 BGADLO CCCCc1nc(C[N@H+](C)[C@H](C)CCC)no1 ZINC000064931970 368615721 /nfs/dbraw/zinc/61/57/21/368615721.db2.gz ZACBJNOROSILEJ-LLVKDONJSA-N 1 2 239.363 3.033 20 0 BGADLO CC(C)CCc1nc(C[N@@H+](C)C2CC2)cs1 ZINC000065041025 368617991 /nfs/dbraw/zinc/61/79/91/368617991.db2.gz AGZYREJUERIDDS-UHFFFAOYSA-N 1 2 238.400 3.326 20 0 BGADLO CC(C)CCc1nc(C[N@H+](C)C2CC2)cs1 ZINC000065041025 368617986 /nfs/dbraw/zinc/61/79/86/368617986.db2.gz AGZYREJUERIDDS-UHFFFAOYSA-N 1 2 238.400 3.326 20 0 BGADLO Clc1ccccc1CCNc1cccc[nH+]1 ZINC000065199216 368619175 /nfs/dbraw/zinc/61/91/75/368619175.db2.gz CAEUGAJHCVCJSM-UHFFFAOYSA-N 1 2 232.714 3.390 20 0 BGADLO Cc1ccc(CCNc2cccc[nH+]2)c(C)c1 ZINC000065280865 368621339 /nfs/dbraw/zinc/62/13/39/368621339.db2.gz QILDZYBTTUWLFY-UHFFFAOYSA-N 1 2 226.323 3.353 20 0 BGADLO CC[N@@H+](Cc1nnsc1Cl)[C@@H](C)C(C)C ZINC000065298497 388689232 /nfs/dbraw/zinc/68/92/32/388689232.db2.gz XGZMQPUGXBKZPF-QMMMGPOBSA-N 1 2 247.795 3.058 20 0 BGADLO CC[N@H+](Cc1nnsc1Cl)[C@@H](C)C(C)C ZINC000065298497 388689228 /nfs/dbraw/zinc/68/92/28/388689228.db2.gz XGZMQPUGXBKZPF-QMMMGPOBSA-N 1 2 247.795 3.058 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2cccc(C)c2)cs1 ZINC000065300602 343775659 /nfs/dbraw/zinc/77/56/59/343775659.db2.gz IYLWMZHRDLUPLH-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2cccc(C)c2)cs1 ZINC000065300602 343775658 /nfs/dbraw/zinc/77/56/58/343775658.db2.gz IYLWMZHRDLUPLH-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO c1ccc(N2CC3C[C@@H]4CC2C[C@H](C3)C4)[nH+]c1 ZINC000065946845 368637066 /nfs/dbraw/zinc/63/70/66/368637066.db2.gz ZRJDCRZFEUTLLR-VTXSZYRJSA-N 1 2 228.339 3.097 20 0 BGADLO Oc1ccccc1/C=[NH+]/C[C@H]1CC=CCC1 ZINC000065999107 643162223 /nfs/dbraw/zinc/16/22/23/643162223.db2.gz GQJWMTCJEFVHMX-YGRGUWMTSA-N 1 2 215.296 3.167 20 0 BGADLO Cc1c(C)c(C)c(Cn2cc[nH+]c2)c(C)c1C ZINC000066100986 384314551 /nfs/dbraw/zinc/31/45/51/384314551.db2.gz JMPKHUBEEDGVQY-UHFFFAOYSA-N 1 2 228.339 3.474 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)C[C@H](C)O1 ZINC000066404211 177262210 /nfs/dbraw/zinc/26/22/10/177262210.db2.gz FMEPSDJWYSSXFO-DTORHVGOSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H](C)O1 ZINC000066404211 177262209 /nfs/dbraw/zinc/26/22/09/177262209.db2.gz FMEPSDJWYSSXFO-DTORHVGOSA-N 1 2 245.775 3.011 20 0 BGADLO CCC[N@@H+](CC(F)F)[C@H]1C=CCCC1 ZINC000066497260 370584878 /nfs/dbraw/zinc/58/48/78/370584878.db2.gz OFLOKRKMJWNTOD-JTQLQIEISA-N 1 2 203.276 3.072 20 0 BGADLO CCC[N@H+](CC(F)F)[C@H]1C=CCCC1 ZINC000066497260 370584875 /nfs/dbraw/zinc/58/48/75/370584875.db2.gz OFLOKRKMJWNTOD-JTQLQIEISA-N 1 2 203.276 3.072 20 0 BGADLO CCC[N@@H+](CC(F)F)[C@@H]1C=CCCC1 ZINC000066497261 370585675 /nfs/dbraw/zinc/58/56/75/370585675.db2.gz OFLOKRKMJWNTOD-SNVBAGLBSA-N 1 2 203.276 3.072 20 0 BGADLO CCC[N@H+](CC(F)F)[C@@H]1C=CCCC1 ZINC000066497261 370585669 /nfs/dbraw/zinc/58/56/69/370585669.db2.gz OFLOKRKMJWNTOD-SNVBAGLBSA-N 1 2 203.276 3.072 20 0 BGADLO C[N@@H+](Cc1ccno1)Cc1ccc(Cl)s1 ZINC000066560826 368652565 /nfs/dbraw/zinc/65/25/65/368652565.db2.gz KTYKEPSVJLDPNR-UHFFFAOYSA-N 1 2 242.731 3.022 20 0 BGADLO C[N@H+](Cc1ccno1)Cc1ccc(Cl)s1 ZINC000066560826 368652563 /nfs/dbraw/zinc/65/25/63/368652563.db2.gz KTYKEPSVJLDPNR-UHFFFAOYSA-N 1 2 242.731 3.022 20 0 BGADLO Cc1cc(NC(=O)C[C@@H](C)C(C)(C)C)cc[nH+]1 ZINC000066619044 178132452 /nfs/dbraw/zinc/13/24/52/178132452.db2.gz YGINIPRPQQCCNY-SNVBAGLBSA-N 1 2 234.343 3.401 20 0 BGADLO Cc1cc(NC(=O)C[C@H](C)C(C)(C)C)cc[nH+]1 ZINC000066619046 178134634 /nfs/dbraw/zinc/13/46/34/178134634.db2.gz YGINIPRPQQCCNY-JTQLQIEISA-N 1 2 234.343 3.401 20 0 BGADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccccc2)no1 ZINC000066696227 383879704 /nfs/dbraw/zinc/87/97/04/383879704.db2.gz BBNNTYVQLGKEKA-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccccc2)no1 ZINC000066696227 383879697 /nfs/dbraw/zinc/87/96/97/383879697.db2.gz BBNNTYVQLGKEKA-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO COc1cccc(CCCNc2cccc[nH+]2)c1 ZINC000066813373 368662194 /nfs/dbraw/zinc/66/21/94/368662194.db2.gz SSHHOZWTCMNAHE-UHFFFAOYSA-N 1 2 242.322 3.135 20 0 BGADLO C[C@@H](CN(C)c1cccc[nH+]1)c1ccccc1 ZINC000066815957 370611999 /nfs/dbraw/zinc/61/19/99/370611999.db2.gz USCGUDWFIUQHCP-ZDUSSCGKSA-N 1 2 226.323 3.322 20 0 BGADLO C[C@H](CN(C)c1cccc[nH+]1)c1ccccc1 ZINC000066815958 370611958 /nfs/dbraw/zinc/61/19/58/370611958.db2.gz USCGUDWFIUQHCP-CYBMUJFWSA-N 1 2 226.323 3.322 20 0 BGADLO CC(C)=CC[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846485 388724426 /nfs/dbraw/zinc/72/44/26/388724426.db2.gz AQKFPEYICMXDJE-HNNXBMFYSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000066846485 388724423 /nfs/dbraw/zinc/72/44/23/388724423.db2.gz AQKFPEYICMXDJE-HNNXBMFYSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846486 388723734 /nfs/dbraw/zinc/72/37/34/388723734.db2.gz AQKFPEYICMXDJE-OAHLLOKOSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000066846486 388723733 /nfs/dbraw/zinc/72/37/33/388723733.db2.gz AQKFPEYICMXDJE-OAHLLOKOSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848428 370614323 /nfs/dbraw/zinc/61/43/23/370614323.db2.gz QTQYSNOJDNQMJM-HNNXBMFYSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000066848428 370614320 /nfs/dbraw/zinc/61/43/20/370614320.db2.gz QTQYSNOJDNQMJM-HNNXBMFYSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066848429 370614643 /nfs/dbraw/zinc/61/46/43/370614643.db2.gz QTQYSNOJDNQMJM-OAHLLOKOSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066848429 370614638 /nfs/dbraw/zinc/61/46/38/370614638.db2.gz QTQYSNOJDNQMJM-OAHLLOKOSA-N 1 2 249.329 3.165 20 0 BGADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cccc(F)c1 ZINC000066864465 368665289 /nfs/dbraw/zinc/66/52/89/368665289.db2.gz VLGPLULRCYARTN-GFCCVEGCSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1cccc(F)c1 ZINC000066864465 368665286 /nfs/dbraw/zinc/66/52/86/368665286.db2.gz VLGPLULRCYARTN-GFCCVEGCSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccc(F)c1 ZINC000066864466 368664907 /nfs/dbraw/zinc/66/49/07/368664907.db2.gz VLGPLULRCYARTN-LBPRGKRZSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@H]1c2cccn2CC[N@H+]1Cc1cccc(F)c1 ZINC000066864466 368664902 /nfs/dbraw/zinc/66/49/02/368664902.db2.gz VLGPLULRCYARTN-LBPRGKRZSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccccc1F ZINC000066864481 388723643 /nfs/dbraw/zinc/72/36/43/388723643.db2.gz SCXBRRMDIPRJON-GFCCVEGCSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccccc1F ZINC000066864481 388723639 /nfs/dbraw/zinc/72/36/39/388723639.db2.gz SCXBRRMDIPRJON-GFCCVEGCSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccccc1F ZINC000066864482 388724369 /nfs/dbraw/zinc/72/43/69/388724369.db2.gz SCXBRRMDIPRJON-LBPRGKRZSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccccc1F ZINC000066864482 388724366 /nfs/dbraw/zinc/72/43/66/388724366.db2.gz SCXBRRMDIPRJON-LBPRGKRZSA-N 1 2 244.313 3.204 20 0 BGADLO CC(C)C[C@H]([NH2+]Cc1ccn[nH]1)c1cccs1 ZINC000066990423 387092207 /nfs/dbraw/zinc/09/22/07/387092207.db2.gz PGJCEJRFWUYIPN-LBPRGKRZSA-N 1 2 249.383 3.348 20 0 BGADLO CC(C)C[C@@H]([NH2+]Cc1ccn[nH]1)c1cccs1 ZINC000066990424 387091620 /nfs/dbraw/zinc/09/16/20/387091620.db2.gz PGJCEJRFWUYIPN-GFCCVEGCSA-N 1 2 249.383 3.348 20 0 BGADLO CC(C)([NH2+]Cc1ccn[nH]1)c1ccc(Cl)cc1 ZINC000067011135 387094791 /nfs/dbraw/zinc/09/47/91/387094791.db2.gz IKXZZGFXVNDROG-UHFFFAOYSA-N 1 2 249.745 3.088 20 0 BGADLO Cc1occc1C[NH2+]Cc1c(F)cccc1F ZINC000067218025 370645665 /nfs/dbraw/zinc/64/56/65/370645665.db2.gz OXQXFQXOYRJZFF-UHFFFAOYSA-N 1 2 237.249 3.156 20 0 BGADLO Fc1cccc([C@@H]2C[C@H]2Nc2cccc[nH+]2)c1 ZINC000067384315 368686692 /nfs/dbraw/zinc/68/66/92/368686692.db2.gz MSXWIFPUEKSBPL-QWHCGFSZSA-N 1 2 228.270 3.189 20 0 BGADLO C(=C/c1ccc2ccccc2n1)\c1[nH]cc[nH+]1 ZINC000067647654 636757987 /nfs/dbraw/zinc/75/79/87/636757987.db2.gz QENCPJBCRFCWDW-BQYQJAHWSA-N 1 2 221.263 3.128 20 0 BGADLO O=C(/C=C/c1[nH]cc[nH+]1)c1ccc(Cl)s1 ZINC000067647675 636757911 /nfs/dbraw/zinc/75/79/11/636757911.db2.gz TWUFDYTXIQBVPE-DAFODLJHSA-N 1 2 238.699 3.021 20 0 BGADLO O=C(/C=C/c1[nH]cc[nH+]1)c1cc2ccccc2o1 ZINC000067647700 636758202 /nfs/dbraw/zinc/75/82/02/636758202.db2.gz VKWWYIVEBIVVGO-AATRIKPKSA-N 1 2 238.246 3.052 20 0 BGADLO Clc1ccc2oc(/C=C/c3[nH]cc[nH+]3)nc2c1 ZINC000067647797 636758633 /nfs/dbraw/zinc/75/86/33/636758633.db2.gz YVZGJGZDNQCASJ-ONEGZZNKSA-N 1 2 245.669 3.375 20 0 BGADLO Cc1ccc2sc(/C=C/c3[nH]cc[nH+]3)nc2c1 ZINC000067647859 636758253 /nfs/dbraw/zinc/75/82/53/636758253.db2.gz IRXHLOMWOFHLGF-SNAWJCMRSA-N 1 2 241.319 3.498 20 0 BGADLO CC[N@@H+](Cc1nnsc1Cl)[C@H](C)C(C)C ZINC000067653803 388737660 /nfs/dbraw/zinc/73/76/60/388737660.db2.gz XGZMQPUGXBKZPF-MRVPVSSYSA-N 1 2 247.795 3.058 20 0 BGADLO CC[N@H+](Cc1nnsc1Cl)[C@H](C)C(C)C ZINC000067653803 388737659 /nfs/dbraw/zinc/73/76/59/388737659.db2.gz XGZMQPUGXBKZPF-MRVPVSSYSA-N 1 2 247.795 3.058 20 0 BGADLO C[C@@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000067948757 387098374 /nfs/dbraw/zinc/09/83/74/387098374.db2.gz FVRUDRJSSFHGNH-LBPRGKRZSA-N 1 2 212.296 3.297 20 0 BGADLO C[C@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000067948758 387098461 /nfs/dbraw/zinc/09/84/61/387098461.db2.gz FVRUDRJSSFHGNH-GFCCVEGCSA-N 1 2 212.296 3.297 20 0 BGADLO c1csc([C@H]2CCCN2c2cccc[nH+]2)c1 ZINC000067948797 368707359 /nfs/dbraw/zinc/70/73/59/368707359.db2.gz OJQNMCNETWUOFR-LLVKDONJSA-N 1 2 230.336 3.485 20 0 BGADLO c1csc([C@@H]2CCCN2c2cccc[nH+]2)c1 ZINC000067948798 343908759 /nfs/dbraw/zinc/90/87/59/343908759.db2.gz OJQNMCNETWUOFR-NSHDSACASA-N 1 2 230.336 3.485 20 0 BGADLO Cc1ccccc1CN(C)c1cccc[nH+]1 ZINC000067949064 368708184 /nfs/dbraw/zinc/70/81/84/368708184.db2.gz NIHHWIGIFYFTPS-UHFFFAOYSA-N 1 2 212.296 3.026 20 0 BGADLO CN(Cc1ccc(Cl)cc1)c1cccc[nH+]1 ZINC000067949122 368708030 /nfs/dbraw/zinc/70/80/30/368708030.db2.gz ROLQDTRDRVCCAQ-UHFFFAOYSA-N 1 2 232.714 3.371 20 0 BGADLO CN(Cc1ccccc1Cl)c1cccc[nH+]1 ZINC000067949123 368708235 /nfs/dbraw/zinc/70/82/35/368708235.db2.gz ODDKGGIENADSTB-UHFFFAOYSA-N 1 2 232.714 3.371 20 0 BGADLO CN(Cc1cccc(Cl)c1)c1cccc[nH+]1 ZINC000067949230 385048367 /nfs/dbraw/zinc/04/83/67/385048367.db2.gz PCSYBBPLVFPXSR-UHFFFAOYSA-N 1 2 232.714 3.371 20 0 BGADLO CCN(Cc1cccc(F)c1)c1cccc[nH+]1 ZINC000068127048 343441742 /nfs/dbraw/zinc/44/17/42/343441742.db2.gz SQIJNRRTUJWSLK-UHFFFAOYSA-N 1 2 230.286 3.247 20 0 BGADLO Fc1ccc2c(c1)[C@H](Nc1cccc[nH+]1)CCO2 ZINC000068765017 368734896 /nfs/dbraw/zinc/73/48/96/368734896.db2.gz MZHLPXJTXWQZFI-GFCCVEGCSA-N 1 2 244.269 3.156 20 0 BGADLO Fc1ccc2c(c1)[C@@H](Nc1cccc[nH+]1)CCO2 ZINC000068765023 368734862 /nfs/dbraw/zinc/73/48/62/368734862.db2.gz MZHLPXJTXWQZFI-LBPRGKRZSA-N 1 2 244.269 3.156 20 0 BGADLO Fc1cccc(CCCNc2cccc[nH+]2)c1 ZINC000068766177 343678363 /nfs/dbraw/zinc/67/83/63/343678363.db2.gz FEKYYRIUXMYFPB-UHFFFAOYSA-N 1 2 230.286 3.265 20 0 BGADLO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000068879266 373081299 /nfs/dbraw/zinc/08/12/99/373081299.db2.gz DVTDYGCVMDPXFW-ZDUSSCGKSA-N 1 2 239.746 3.123 20 0 BGADLO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000068879269 388411901 /nfs/dbraw/zinc/41/19/01/388411901.db2.gz DVTDYGCVMDPXFW-CYBMUJFWSA-N 1 2 239.746 3.123 20 0 BGADLO CCOc1ccccc1CCNc1cccc[nH+]1 ZINC000068905832 368740563 /nfs/dbraw/zinc/74/05/63/368740563.db2.gz BGMFGEDYVYEEAP-UHFFFAOYSA-N 1 2 242.322 3.135 20 0 BGADLO Cc1csc([C@@H](C)Nc2cccc[nH+]2)n1 ZINC000068907758 385051810 /nfs/dbraw/zinc/05/18/10/385051810.db2.gz SDFGYNSUIAFGAQ-SECBINFHSA-N 1 2 219.313 3.020 20 0 BGADLO Cc1csc([C@H](C)Nc2cccc[nH+]2)n1 ZINC000068907762 398011473 /nfs/dbraw/zinc/01/14/73/398011473.db2.gz SDFGYNSUIAFGAQ-VIFPVBQESA-N 1 2 219.313 3.020 20 0 BGADLO Cc1nc(N[C@@H](C)CCC(C)C)cc[nH+]1 ZINC000068945113 385229079 /nfs/dbraw/zinc/22/90/79/385229079.db2.gz ABSSNODIUKJANE-JTQLQIEISA-N 1 2 207.321 3.022 20 0 BGADLO Cc1nc(N[C@H](C)CCC(C)C)cc[nH+]1 ZINC000068945115 385229192 /nfs/dbraw/zinc/22/91/92/385229192.db2.gz ABSSNODIUKJANE-SNVBAGLBSA-N 1 2 207.321 3.022 20 0 BGADLO CCc1cc(N[C@@H](C)CCC(C)C)nc[nH+]1 ZINC000068945144 344516413 /nfs/dbraw/zinc/51/64/13/344516413.db2.gz QMHGHZCHMRQPQJ-NSHDSACASA-N 1 2 221.348 3.276 20 0 BGADLO CCc1cc(N[C@H](C)CCC(C)C)nc[nH+]1 ZINC000068945146 344516641 /nfs/dbraw/zinc/51/66/41/344516641.db2.gz QMHGHZCHMRQPQJ-LLVKDONJSA-N 1 2 221.348 3.276 20 0 BGADLO Cc1cc(N[C@@H](C)CCC(C)C)nc[nH+]1 ZINC000068945166 385229658 /nfs/dbraw/zinc/22/96/58/385229658.db2.gz GZBSLFOOSWUPIE-JTQLQIEISA-N 1 2 207.321 3.022 20 0 BGADLO Cc1cc(N[C@H](C)CCC(C)C)nc[nH+]1 ZINC000068945167 178186106 /nfs/dbraw/zinc/18/61/06/178186106.db2.gz GZBSLFOOSWUPIE-SNVBAGLBSA-N 1 2 207.321 3.022 20 0 BGADLO Cc1nc(C[NH2+]C2(c3ccccc3)CC2)cs1 ZINC000068980198 359028066 /nfs/dbraw/zinc/02/80/66/359028066.db2.gz HWWUPLGDUITDRV-UHFFFAOYSA-N 1 2 244.363 3.230 20 0 BGADLO CSCCNc1[nH+]c2ccccc2cc1C ZINC000069012434 385106505 /nfs/dbraw/zinc/10/65/05/385106505.db2.gz XUHNUHWVXYOBBF-UHFFFAOYSA-N 1 2 232.352 3.318 20 0 BGADLO CSCCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000069012870 385106346 /nfs/dbraw/zinc/10/63/46/385106346.db2.gz WIOQGDWRBKCQSM-UHFFFAOYSA-N 1 2 239.388 3.073 20 0 BGADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccco2)oc1C ZINC000069065113 384028935 /nfs/dbraw/zinc/02/89/35/384028935.db2.gz NIKBUXYBFKTHFC-JTQLQIEISA-N 1 2 234.299 3.077 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccco2)oc1C ZINC000069065113 384028925 /nfs/dbraw/zinc/02/89/25/384028925.db2.gz NIKBUXYBFKTHFC-JTQLQIEISA-N 1 2 234.299 3.077 20 0 BGADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccco2)oc1C ZINC000069065116 384028516 /nfs/dbraw/zinc/02/85/16/384028516.db2.gz NIKBUXYBFKTHFC-SNVBAGLBSA-N 1 2 234.299 3.077 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccco2)oc1C ZINC000069065116 384028504 /nfs/dbraw/zinc/02/85/04/384028504.db2.gz NIKBUXYBFKTHFC-SNVBAGLBSA-N 1 2 234.299 3.077 20 0 BGADLO Cc1csc([C@H](C)[NH2+]Cc2ccc(C)o2)n1 ZINC000069168479 642833798 /nfs/dbraw/zinc/83/37/98/642833798.db2.gz PTXFVKZGTRHAFS-JTQLQIEISA-N 1 2 236.340 3.204 20 0 BGADLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C)o2)n1 ZINC000069168480 642834401 /nfs/dbraw/zinc/83/44/01/642834401.db2.gz PTXFVKZGTRHAFS-SNVBAGLBSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cc(NC(=O)C[C@@H](C)CC(C)C)cc[nH+]1 ZINC000069370404 388834909 /nfs/dbraw/zinc/83/49/09/388834909.db2.gz MWVQNWFVHLZYBX-NSHDSACASA-N 1 2 234.343 3.401 20 0 BGADLO Cc1cc(NC(=O)C[C@H](C)CC(C)C)cc[nH+]1 ZINC000069370406 388835095 /nfs/dbraw/zinc/83/50/95/388835095.db2.gz MWVQNWFVHLZYBX-LLVKDONJSA-N 1 2 234.343 3.401 20 0 BGADLO Cc1cc(NC(=O)C[C@@H](C)C(C)C)cc[nH+]1 ZINC000069370410 178132094 /nfs/dbraw/zinc/13/20/94/178132094.db2.gz MFEJINAVBOEAFP-SNVBAGLBSA-N 1 2 220.316 3.011 20 0 BGADLO Cc1cc(NC(=O)C[C@H](C)C(C)C)cc[nH+]1 ZINC000069370414 178134291 /nfs/dbraw/zinc/13/42/91/178134291.db2.gz MFEJINAVBOEAFP-JTQLQIEISA-N 1 2 220.316 3.011 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@H](C)C[C@@H]2C)cc[nH+]1 ZINC000069676547 359032894 /nfs/dbraw/zinc/03/28/94/359032894.db2.gz XQOJWBGRBLQIMI-JBLDHEPKSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc[nH+]1 ZINC000069676554 359032639 /nfs/dbraw/zinc/03/26/39/359032639.db2.gz XQOJWBGRBLQIMI-JFGNBEQYSA-N 1 2 219.332 3.022 20 0 BGADLO C[C@@H]1CC[C@H](Nc2cccc[nH+]2)[C@H](C)C1 ZINC000069676575 176235099 /nfs/dbraw/zinc/23/50/99/176235099.db2.gz HOCWXDZLAWWHJD-UTUOFQBUSA-N 1 2 204.317 3.318 20 0 BGADLO C[C@@H]1CC[C@@H](Nc2cccc[nH+]2)[C@H](C)C1 ZINC000069676582 176213965 /nfs/dbraw/zinc/21/39/65/176213965.db2.gz HOCWXDZLAWWHJD-IJLUTSLNSA-N 1 2 204.317 3.318 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@H](C)C[C@@H]2C)nc[nH+]1 ZINC000069676689 178183496 /nfs/dbraw/zinc/18/34/96/178183496.db2.gz FQNYUJKZJWPCOW-JBLDHEPKSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)nc[nH+]1 ZINC000069676699 178182545 /nfs/dbraw/zinc/18/25/45/178182545.db2.gz FQNYUJKZJWPCOW-JFGNBEQYSA-N 1 2 219.332 3.022 20 0 BGADLO CCc1cc(N[C@@H](C)C2CCCC2)nc[nH+]1 ZINC000069805427 487789751 /nfs/dbraw/zinc/78/97/51/487789751.db2.gz TZZZJQKYTGXERO-JTQLQIEISA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@H](C)C2CCCC2)nc[nH+]1 ZINC000069805430 344825723 /nfs/dbraw/zinc/82/57/23/344825723.db2.gz TZZZJQKYTGXERO-SNVBAGLBSA-N 1 2 219.332 3.030 20 0 BGADLO c1ccc(NCc2cccc3cccnc32)[nH+]c1 ZINC000069831008 398248398 /nfs/dbraw/zinc/24/83/98/398248398.db2.gz MGKNNRFPGRXREL-UHFFFAOYSA-N 1 2 235.290 3.242 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(CNc2cccc[nH+]2)o1 ZINC000069831497 384065266 /nfs/dbraw/zinc/06/52/66/384065266.db2.gz AXGBEDCHPVQPHW-PWSUYJOCSA-N 1 2 228.295 3.410 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(CNc2cccc[nH+]2)o1 ZINC000069831500 177351993 /nfs/dbraw/zinc/35/19/93/177351993.db2.gz AXGBEDCHPVQPHW-JQWIXIFHSA-N 1 2 228.295 3.410 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(CNc2cccc[nH+]2)o1 ZINC000069831502 384065800 /nfs/dbraw/zinc/06/58/00/384065800.db2.gz AXGBEDCHPVQPHW-ZYHUDNBSSA-N 1 2 228.295 3.410 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(CNc2cccc[nH+]2)o1 ZINC000069831506 177386702 /nfs/dbraw/zinc/38/67/02/177386702.db2.gz AXGBEDCHPVQPHW-CMPLNLGQSA-N 1 2 228.295 3.410 20 0 BGADLO Fc1cccc(Cl)c1C[NH2+]Cc1ccoc1 ZINC000069832983 388868602 /nfs/dbraw/zinc/86/86/02/388868602.db2.gz LJYJHPJGXSIEIO-UHFFFAOYSA-N 1 2 239.677 3.362 20 0 BGADLO Cc1ccc(C[NH2+]Cc2csc(C3CC3)n2)o1 ZINC000069876871 342838987 /nfs/dbraw/zinc/83/89/87/342838987.db2.gz CTTPREMKPSIOEV-UHFFFAOYSA-N 1 2 248.351 3.212 20 0 BGADLO Cc1ccccc1[C@H]([NH2+]Cc1ccn[nH]1)C(C)C ZINC000069879745 179344850 /nfs/dbraw/zinc/34/48/50/179344850.db2.gz IUZAHCTWDXDJGJ-OAHLLOKOSA-N 1 2 243.354 3.205 20 0 BGADLO Cc1ccccc1[C@@H]([NH2+]Cc1ccn[nH]1)C(C)C ZINC000069879751 179325910 /nfs/dbraw/zinc/32/59/10/179325910.db2.gz IUZAHCTWDXDJGJ-HNNXBMFYSA-N 1 2 243.354 3.205 20 0 BGADLO C[C@H](Nc1cccc(Cl)c1)c1[nH+]ccn1C ZINC000070007289 387043933 /nfs/dbraw/zinc/04/39/33/387043933.db2.gz OSPALCQIUODIHH-VIFPVBQESA-N 1 2 235.718 3.247 20 0 BGADLO C[C@@H](Nc1cccc(Cl)c1)c1[nH+]ccn1C ZINC000070007291 387043558 /nfs/dbraw/zinc/04/35/58/387043558.db2.gz OSPALCQIUODIHH-SECBINFHSA-N 1 2 235.718 3.247 20 0 BGADLO C[C@H](Nc1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000070007297 187358905 /nfs/dbraw/zinc/35/89/05/187358905.db2.gz XYTUURGDSMNKQS-VIFPVBQESA-N 1 2 235.718 3.247 20 0 BGADLO C[C@@H](Nc1ccc(Cl)cc1)c1[nH+]ccn1C ZINC000070007300 387043793 /nfs/dbraw/zinc/04/37/93/387043793.db2.gz XYTUURGDSMNKQS-SECBINFHSA-N 1 2 235.718 3.247 20 0 BGADLO CCc1cc(N[C@@H]2CC[C@H](C)C[C@@H]2C)nc[nH+]1 ZINC000070113781 371008416 /nfs/dbraw/zinc/00/84/16/371008416.db2.gz WQXVGALCHZHHMD-GMXVVIOVSA-N 1 2 233.359 3.276 20 0 BGADLO CCc1cc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)nc[nH+]1 ZINC000070113783 371008635 /nfs/dbraw/zinc/00/86/35/371008635.db2.gz WQXVGALCHZHHMD-NTZNESFSSA-N 1 2 233.359 3.276 20 0 BGADLO C[C@@H](Cc1cccs1)Nc1cccc[nH+]1 ZINC000070125183 383862979 /nfs/dbraw/zinc/86/29/79/383862979.db2.gz JYQJVIHMBZUFHJ-JTQLQIEISA-N 1 2 218.325 3.186 20 0 BGADLO C[C@H](Cc1cccs1)Nc1cccc[nH+]1 ZINC000070125186 383861837 /nfs/dbraw/zinc/86/18/37/383861837.db2.gz JYQJVIHMBZUFHJ-SNVBAGLBSA-N 1 2 218.325 3.186 20 0 BGADLO c1ccc2[nH+]c(NCC3CCOCC3)ccc2c1 ZINC000070160937 323170223 /nfs/dbraw/zinc/17/02/23/323170223.db2.gz WVKBJDSRJDUPDR-UHFFFAOYSA-N 1 2 242.322 3.073 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cscn2)o1 ZINC000070167799 371012557 /nfs/dbraw/zinc/01/25/57/371012557.db2.gz UWULCFHIWSETMU-SKDRFNHKSA-N 1 2 248.351 3.149 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cscn2)o1 ZINC000070167800 371012478 /nfs/dbraw/zinc/01/24/78/371012478.db2.gz UWULCFHIWSETMU-CABZTGNLSA-N 1 2 248.351 3.149 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cscn2)o1 ZINC000070167801 371012115 /nfs/dbraw/zinc/01/21/15/371012115.db2.gz UWULCFHIWSETMU-BXKDBHETSA-N 1 2 248.351 3.149 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cscn2)o1 ZINC000070167802 371012491 /nfs/dbraw/zinc/01/24/91/371012491.db2.gz UWULCFHIWSETMU-JOYOIKCWSA-N 1 2 248.351 3.149 20 0 BGADLO CSCCNc1ccc2ccccc2[nH+]1 ZINC000070183911 383880722 /nfs/dbraw/zinc/88/07/22/383880722.db2.gz QSNXQZXGFHNMSB-UHFFFAOYSA-N 1 2 218.325 3.010 20 0 BGADLO CSCCCNc1ccc2ccccc2[nH+]1 ZINC000070184894 387046981 /nfs/dbraw/zinc/04/69/81/387046981.db2.gz KCZDQKSXIKVSKD-UHFFFAOYSA-N 1 2 232.352 3.400 20 0 BGADLO CC(C)(C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000070243816 345549153 /nfs/dbraw/zinc/54/91/53/345549153.db2.gz IIVVHJLTZZRKDJ-UHFFFAOYSA-N 1 2 243.310 3.061 20 0 BGADLO CC1(C)CCC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000070259459 411297250 /nfs/dbraw/zinc/29/72/50/411297250.db2.gz MAMPHDXASHYBFM-UHFFFAOYSA-N 1 2 249.329 3.130 20 0 BGADLO CC1(C)CCC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000070259459 411297246 /nfs/dbraw/zinc/29/72/46/411297246.db2.gz MAMPHDXASHYBFM-UHFFFAOYSA-N 1 2 249.329 3.130 20 0 BGADLO CO[C@H]1CCC[C@@H](Nc2ccc([NH+](C)C)cc2)C1 ZINC000070326446 643016453 /nfs/dbraw/zinc/01/64/53/643016453.db2.gz LBZGKDJQENICDP-HIFRSBDPSA-N 1 2 248.370 3.122 20 0 BGADLO CO[C@H]1CCC[C@@H]([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000070326446 643016446 /nfs/dbraw/zinc/01/64/46/643016446.db2.gz LBZGKDJQENICDP-HIFRSBDPSA-N 1 2 248.370 3.122 20 0 BGADLO CO[C@H]1CCC[C@H](Nc2ccc([NH+](C)C)cc2)C1 ZINC000070326448 643017485 /nfs/dbraw/zinc/01/74/85/643017485.db2.gz LBZGKDJQENICDP-ZFWWWQNUSA-N 1 2 248.370 3.122 20 0 BGADLO CO[C@H]1CCC[C@H]([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000070326448 643017481 /nfs/dbraw/zinc/01/74/81/643017481.db2.gz LBZGKDJQENICDP-ZFWWWQNUSA-N 1 2 248.370 3.122 20 0 BGADLO CO[C@@H]1CCC[C@@H](Nc2ccc([NH+](C)C)cc2)C1 ZINC000070326450 643016075 /nfs/dbraw/zinc/01/60/75/643016075.db2.gz LBZGKDJQENICDP-UKRRQHHQSA-N 1 2 248.370 3.122 20 0 BGADLO CO[C@@H]1CCC[C@@H]([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000070326450 643016072 /nfs/dbraw/zinc/01/60/72/643016072.db2.gz LBZGKDJQENICDP-UKRRQHHQSA-N 1 2 248.370 3.122 20 0 BGADLO CO[C@@H]1CCC[C@H](Nc2ccc([NH+](C)C)cc2)C1 ZINC000070326452 643016928 /nfs/dbraw/zinc/01/69/28/643016928.db2.gz LBZGKDJQENICDP-DZGCQCFKSA-N 1 2 248.370 3.122 20 0 BGADLO CO[C@@H]1CCC[C@H]([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000070326452 643016916 /nfs/dbraw/zinc/01/69/16/643016916.db2.gz LBZGKDJQENICDP-DZGCQCFKSA-N 1 2 248.370 3.122 20 0 BGADLO CCOc1ccc([NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000070343070 384101020 /nfs/dbraw/zinc/10/10/20/384101020.db2.gz CNSNOXDOBOGCTA-DGCLKSJQSA-N 1 2 235.327 3.065 20 0 BGADLO CCOc1ccc([NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000070343071 170554139 /nfs/dbraw/zinc/55/41/39/170554139.db2.gz CNSNOXDOBOGCTA-YPMHNXCESA-N 1 2 235.327 3.065 20 0 BGADLO CCOc1ccc([NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000070343072 170554362 /nfs/dbraw/zinc/55/43/62/170554362.db2.gz CNSNOXDOBOGCTA-WCQYABFASA-N 1 2 235.327 3.065 20 0 BGADLO CCOc1ccc([NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000070343073 170554315 /nfs/dbraw/zinc/55/43/15/170554315.db2.gz CNSNOXDOBOGCTA-AAEUAGOBSA-N 1 2 235.327 3.065 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000070345134 175154117 /nfs/dbraw/zinc/15/41/17/175154117.db2.gz RGSKQLVZODNTQC-GFCCVEGCSA-N 1 2 235.327 3.065 20 0 BGADLO COc1ccc([NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000070345135 175155295 /nfs/dbraw/zinc/15/52/95/175155295.db2.gz RGSKQLVZODNTQC-LBPRGKRZSA-N 1 2 235.327 3.065 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000070347736 167297227 /nfs/dbraw/zinc/29/72/27/167297227.db2.gz PPHZGZIHCNHSFE-TZMCWYRMSA-N 1 2 249.354 3.453 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000070347737 167297231 /nfs/dbraw/zinc/29/72/31/167297231.db2.gz PPHZGZIHCNHSFE-GXTWGEPZSA-N 1 2 249.354 3.453 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000070347738 167296399 /nfs/dbraw/zinc/29/63/99/167296399.db2.gz PPHZGZIHCNHSFE-OCCSQVGLSA-N 1 2 249.354 3.453 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000070347739 167297892 /nfs/dbraw/zinc/29/78/92/167297892.db2.gz PPHZGZIHCNHSFE-JSGCOSHPSA-N 1 2 249.354 3.453 20 0 BGADLO C[NH+](C)c1ccc(N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000070348512 643019371 /nfs/dbraw/zinc/01/93/71/643019371.db2.gz OXKJZHHAAJHKCH-CYBMUJFWSA-N 1 2 248.370 3.122 20 0 BGADLO CN(C)c1ccc([NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000070348512 643019361 /nfs/dbraw/zinc/01/93/61/643019361.db2.gz OXKJZHHAAJHKCH-CYBMUJFWSA-N 1 2 248.370 3.122 20 0 BGADLO C[NH+](C)c1ccc(N[C@H]2CCOC(C)(C)C2)cc1 ZINC000070348513 643017840 /nfs/dbraw/zinc/01/78/40/643017840.db2.gz OXKJZHHAAJHKCH-ZDUSSCGKSA-N 1 2 248.370 3.122 20 0 BGADLO CN(C)c1ccc([NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000070348513 643017835 /nfs/dbraw/zinc/01/78/35/643017835.db2.gz OXKJZHHAAJHKCH-ZDUSSCGKSA-N 1 2 248.370 3.122 20 0 BGADLO CC[C@@H]1C[C@H]([NH2+]c2ccc(N(C)C)cc2)CCO1 ZINC000070348514 643018372 /nfs/dbraw/zinc/01/83/72/643018372.db2.gz FEOHVHYMOIMWIS-UKRRQHHQSA-N 1 2 248.370 3.122 20 0 BGADLO CC[C@@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CCO1 ZINC000070348514 643018367 /nfs/dbraw/zinc/01/83/67/643018367.db2.gz FEOHVHYMOIMWIS-UKRRQHHQSA-N 1 2 248.370 3.122 20 0 BGADLO CC[C@H]1C[C@H]([NH2+]c2ccc(N(C)C)cc2)CCO1 ZINC000070348515 643019010 /nfs/dbraw/zinc/01/90/10/643019010.db2.gz FEOHVHYMOIMWIS-HIFRSBDPSA-N 1 2 248.370 3.122 20 0 BGADLO CC[C@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CCO1 ZINC000070348515 643018996 /nfs/dbraw/zinc/01/89/96/643018996.db2.gz FEOHVHYMOIMWIS-HIFRSBDPSA-N 1 2 248.370 3.122 20 0 BGADLO CC[C@@H]1C[C@@H]([NH2+]c2ccc(N(C)C)cc2)CCO1 ZINC000070348516 643019553 /nfs/dbraw/zinc/01/95/53/643019553.db2.gz FEOHVHYMOIMWIS-DZGCQCFKSA-N 1 2 248.370 3.122 20 0 BGADLO CC[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CCO1 ZINC000070348516 643019550 /nfs/dbraw/zinc/01/95/50/643019550.db2.gz FEOHVHYMOIMWIS-DZGCQCFKSA-N 1 2 248.370 3.122 20 0 BGADLO CC[C@H]1C[C@@H]([NH2+]c2ccc(N(C)C)cc2)CCO1 ZINC000070348517 643018878 /nfs/dbraw/zinc/01/88/78/643018878.db2.gz FEOHVHYMOIMWIS-ZFWWWQNUSA-N 1 2 248.370 3.122 20 0 BGADLO CC[C@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CCO1 ZINC000070348517 643018874 /nfs/dbraw/zinc/01/88/74/643018874.db2.gz FEOHVHYMOIMWIS-ZFWWWQNUSA-N 1 2 248.370 3.122 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000070349248 178095155 /nfs/dbraw/zinc/09/51/55/178095155.db2.gz KDERVJRENVDYLC-CHWSQXEVSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCO[C@H](C)C1 ZINC000070349248 178095153 /nfs/dbraw/zinc/09/51/53/178095153.db2.gz KDERVJRENVDYLC-CHWSQXEVSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CCO[C@H](C)C1 ZINC000070349249 178096351 /nfs/dbraw/zinc/09/63/51/178096351.db2.gz KDERVJRENVDYLC-OLZOCXBDSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCO[C@H](C)C1 ZINC000070349249 178096350 /nfs/dbraw/zinc/09/63/50/178096350.db2.gz KDERVJRENVDYLC-OLZOCXBDSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000070349250 178095013 /nfs/dbraw/zinc/09/50/13/178095013.db2.gz KDERVJRENVDYLC-QWHCGFSZSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCO[C@@H](C)C1 ZINC000070349250 178095010 /nfs/dbraw/zinc/09/50/10/178095010.db2.gz KDERVJRENVDYLC-QWHCGFSZSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000070349251 178097622 /nfs/dbraw/zinc/09/76/22/178097622.db2.gz KDERVJRENVDYLC-STQMWFEESA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCO[C@@H](C)C1 ZINC000070349251 178097621 /nfs/dbraw/zinc/09/76/21/178097621.db2.gz KDERVJRENVDYLC-STQMWFEESA-N 1 2 248.370 3.040 20 0 BGADLO CCOc1ccc([NH2+][C@@H]2CCO[C@H](C)C2)c(C)c1 ZINC000070358440 384102224 /nfs/dbraw/zinc/10/22/24/384102224.db2.gz KQAFUHWWDOCACT-CHWSQXEVSA-N 1 2 249.354 3.373 20 0 BGADLO CCOc1ccc([NH2+][C@H]2CCO[C@H](C)C2)c(C)c1 ZINC000070358441 384102122 /nfs/dbraw/zinc/10/21/22/384102122.db2.gz KQAFUHWWDOCACT-OLZOCXBDSA-N 1 2 249.354 3.373 20 0 BGADLO CCOc1ccc([NH2+][C@@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000070358442 384101648 /nfs/dbraw/zinc/10/16/48/384101648.db2.gz KQAFUHWWDOCACT-QWHCGFSZSA-N 1 2 249.354 3.373 20 0 BGADLO CCOc1ccc([NH2+][C@H]2CCO[C@@H](C)C2)c(C)c1 ZINC000070358443 384102139 /nfs/dbraw/zinc/10/21/39/384102139.db2.gz KQAFUHWWDOCACT-STQMWFEESA-N 1 2 249.354 3.373 20 0 BGADLO CCCOc1ccc([NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000070361176 169319856 /nfs/dbraw/zinc/31/98/56/169319856.db2.gz HGXUTIGZYOYMTF-TZMCWYRMSA-N 1 2 249.354 3.455 20 0 BGADLO CCCOc1ccc([NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000070361177 169320250 /nfs/dbraw/zinc/32/02/50/169320250.db2.gz HGXUTIGZYOYMTF-OCCSQVGLSA-N 1 2 249.354 3.455 20 0 BGADLO CCCOc1ccc([NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000070361178 169319772 /nfs/dbraw/zinc/31/97/72/169319772.db2.gz HGXUTIGZYOYMTF-GXTWGEPZSA-N 1 2 249.354 3.455 20 0 BGADLO CCCOc1ccc([NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000070361179 169319860 /nfs/dbraw/zinc/31/98/60/169319860.db2.gz HGXUTIGZYOYMTF-JSGCOSHPSA-N 1 2 249.354 3.455 20 0 BGADLO Cc1ccc(N[C@@H](C)c2[nH+]ccn2C)c(C)c1 ZINC000070443222 387065650 /nfs/dbraw/zinc/06/56/50/387065650.db2.gz WFAOESBHLGBLPN-LBPRGKRZSA-N 1 2 229.327 3.210 20 0 BGADLO Cc1ccc(N[C@H](C)c2[nH+]ccn2C)c(C)c1 ZINC000070443223 387065581 /nfs/dbraw/zinc/06/55/81/387065581.db2.gz WFAOESBHLGBLPN-GFCCVEGCSA-N 1 2 229.327 3.210 20 0 BGADLO CSc1cccc(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000070443240 359053103 /nfs/dbraw/zinc/05/31/03/359053103.db2.gz KYSMTWSFDHUFSW-JTQLQIEISA-N 1 2 247.367 3.315 20 0 BGADLO CSc1cccc(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000070443241 359053191 /nfs/dbraw/zinc/05/31/91/359053191.db2.gz KYSMTWSFDHUFSW-SNVBAGLBSA-N 1 2 247.367 3.315 20 0 BGADLO CSc1ccc(N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000070443302 359052918 /nfs/dbraw/zinc/05/29/18/359052918.db2.gz GDJPDISZNJHZRM-JTQLQIEISA-N 1 2 247.367 3.315 20 0 BGADLO CSc1ccc(N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000070443303 359053388 /nfs/dbraw/zinc/05/33/88/359053388.db2.gz GDJPDISZNJHZRM-SNVBAGLBSA-N 1 2 247.367 3.315 20 0 BGADLO Cc1ccc(F)cc1N[C@@H](C)c1[nH+]ccn1C ZINC000070443426 359053205 /nfs/dbraw/zinc/05/32/05/359053205.db2.gz SGJVCXOHSMZMMG-JTQLQIEISA-N 1 2 233.290 3.041 20 0 BGADLO Cc1ccc(F)cc1N[C@H](C)c1[nH+]ccn1C ZINC000070443427 359053568 /nfs/dbraw/zinc/05/35/68/359053568.db2.gz SGJVCXOHSMZMMG-SNVBAGLBSA-N 1 2 233.290 3.041 20 0 BGADLO CCc1ccc(N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000070443430 359053138 /nfs/dbraw/zinc/05/31/38/359053138.db2.gz YLPOOOJQANDOLO-NSHDSACASA-N 1 2 229.327 3.156 20 0 BGADLO CCc1ccc(N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000070443431 359053003 /nfs/dbraw/zinc/05/30/03/359053003.db2.gz YLPOOOJQANDOLO-LLVKDONJSA-N 1 2 229.327 3.156 20 0 BGADLO Cc1ccc(N[C@@H](C)c2[nH+]ccn2C)cc1F ZINC000070443432 359053012 /nfs/dbraw/zinc/05/30/12/359053012.db2.gz NSGFZVXPJVDZIB-JTQLQIEISA-N 1 2 233.290 3.041 20 0 BGADLO Cc1ccc(N[C@H](C)c2[nH+]ccn2C)cc1F ZINC000070443433 134918328 /nfs/dbraw/zinc/91/83/28/134918328.db2.gz NSGFZVXPJVDZIB-SNVBAGLBSA-N 1 2 233.290 3.041 20 0 BGADLO CCc1ccccc1N[C@@H](C)c1[nH+]ccn1C ZINC000070443434 359053131 /nfs/dbraw/zinc/05/31/31/359053131.db2.gz KMQPCXHVLMPWSC-NSHDSACASA-N 1 2 229.327 3.156 20 0 BGADLO CCc1ccccc1N[C@H](C)c1[nH+]ccn1C ZINC000070443435 359052912 /nfs/dbraw/zinc/05/29/12/359052912.db2.gz KMQPCXHVLMPWSC-LLVKDONJSA-N 1 2 229.327 3.156 20 0 BGADLO Cc1cc(F)ccc1N[C@@H](C)c1[nH+]ccn1C ZINC000070443438 359053234 /nfs/dbraw/zinc/05/32/34/359053234.db2.gz JMXPWFZXEPBZHN-JTQLQIEISA-N 1 2 233.290 3.041 20 0 BGADLO Cc1cc(F)ccc1N[C@H](C)c1[nH+]ccn1C ZINC000070443439 359053314 /nfs/dbraw/zinc/05/33/14/359053314.db2.gz JMXPWFZXEPBZHN-SNVBAGLBSA-N 1 2 233.290 3.041 20 0 BGADLO CCc1cccc(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000070443442 359052963 /nfs/dbraw/zinc/05/29/63/359052963.db2.gz OFKFOMLAQABJMN-NSHDSACASA-N 1 2 229.327 3.156 20 0 BGADLO CCc1cccc(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000070443443 359052988 /nfs/dbraw/zinc/05/29/88/359052988.db2.gz OFKFOMLAQABJMN-LLVKDONJSA-N 1 2 229.327 3.156 20 0 BGADLO Cc1cccc(N[C@@H](C)c2[nH+]ccn2C)c1C ZINC000070443452 359054845 /nfs/dbraw/zinc/05/48/45/359054845.db2.gz XVEMPVURMBKOSO-LBPRGKRZSA-N 1 2 229.327 3.210 20 0 BGADLO Cc1cccc(N[C@H](C)c2[nH+]ccn2C)c1C ZINC000070443453 359054548 /nfs/dbraw/zinc/05/45/48/359054548.db2.gz XVEMPVURMBKOSO-GFCCVEGCSA-N 1 2 229.327 3.210 20 0 BGADLO Cc1ccc(C)c(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000070443454 359054743 /nfs/dbraw/zinc/05/47/43/359054743.db2.gz BUIMCAMEMNCOPU-LBPRGKRZSA-N 1 2 229.327 3.210 20 0 BGADLO Cc1ccc(C)c(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000070443455 134917805 /nfs/dbraw/zinc/91/78/05/134917805.db2.gz BUIMCAMEMNCOPU-GFCCVEGCSA-N 1 2 229.327 3.210 20 0 BGADLO Cc1ccc(N[C@@H](C)c2[nH+]ccn2C)c(F)c1 ZINC000070443750 387067721 /nfs/dbraw/zinc/06/77/21/387067721.db2.gz YCHDYVBWZNWMFJ-JTQLQIEISA-N 1 2 233.290 3.041 20 0 BGADLO Cc1ccc(N[C@H](C)c2[nH+]ccn2C)c(F)c1 ZINC000070443751 387067861 /nfs/dbraw/zinc/06/78/61/387067861.db2.gz YCHDYVBWZNWMFJ-SNVBAGLBSA-N 1 2 233.290 3.041 20 0 BGADLO Cc1ccc(F)c(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000070443760 387068595 /nfs/dbraw/zinc/06/85/95/387068595.db2.gz CFCXPUJQLPWFEK-JTQLQIEISA-N 1 2 233.290 3.041 20 0 BGADLO Cc1ccc(F)c(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000070443761 387067648 /nfs/dbraw/zinc/06/76/48/387067648.db2.gz CFCXPUJQLPWFEK-SNVBAGLBSA-N 1 2 233.290 3.041 20 0 BGADLO Cc1c(F)cccc1N[C@@H](C)c1[nH+]ccn1C ZINC000070445340 359056002 /nfs/dbraw/zinc/05/60/02/359056002.db2.gz VCISEJNYLAVWGR-JTQLQIEISA-N 1 2 233.290 3.041 20 0 BGADLO Cc1c(F)cccc1N[C@H](C)c1[nH+]ccn1C ZINC000070445341 359055677 /nfs/dbraw/zinc/05/56/77/359055677.db2.gz VCISEJNYLAVWGR-SNVBAGLBSA-N 1 2 233.290 3.041 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)c(C)o1 ZINC000070445372 490212539 /nfs/dbraw/zinc/21/25/39/490212539.db2.gz MTEHQLGVUSTZIR-MNOVXSKESA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2nccn2C)c(C)o1 ZINC000070445373 490212803 /nfs/dbraw/zinc/21/28/03/490212803.db2.gz MTEHQLGVUSTZIR-QWRGUYRKSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nccn2C)c(C)o1 ZINC000070445374 490212736 /nfs/dbraw/zinc/21/27/36/490212736.db2.gz MTEHQLGVUSTZIR-GHMZBOCLSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2nccn2C)c(C)o1 ZINC000070445375 490212682 /nfs/dbraw/zinc/21/26/82/490212682.db2.gz MTEHQLGVUSTZIR-WDEREUQCSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(N[C@@H](C)c2[nH+]ccn2C)ccc1F ZINC000070445462 178180691 /nfs/dbraw/zinc/18/06/91/178180691.db2.gz IBCAOADAWSXRCQ-JTQLQIEISA-N 1 2 233.290 3.041 20 0 BGADLO Cc1cc(N[C@H](C)c2[nH+]ccn2C)ccc1F ZINC000070445463 178187987 /nfs/dbraw/zinc/18/79/87/178187987.db2.gz IBCAOADAWSXRCQ-SNVBAGLBSA-N 1 2 233.290 3.041 20 0 BGADLO Cc1nc(NCC[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000070539625 359059531 /nfs/dbraw/zinc/05/95/31/359059531.db2.gz IICLQVNUJCXOCA-AAEUAGOBSA-N 1 2 233.359 3.413 20 0 BGADLO Cc1nc(NCC[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000070539626 359059764 /nfs/dbraw/zinc/05/97/64/359059764.db2.gz IICLQVNUJCXOCA-WCQYABFASA-N 1 2 233.359 3.413 20 0 BGADLO Cc1nc(NCC[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000070539627 359059895 /nfs/dbraw/zinc/05/98/95/359059895.db2.gz IICLQVNUJCXOCA-YPMHNXCESA-N 1 2 233.359 3.413 20 0 BGADLO Cc1nc(NCC[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000070539628 359059208 /nfs/dbraw/zinc/05/92/08/359059208.db2.gz IICLQVNUJCXOCA-DGCLKSJQSA-N 1 2 233.359 3.413 20 0 BGADLO Cc1cc(NCC[C@@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000070539845 359059836 /nfs/dbraw/zinc/05/98/36/359059836.db2.gz BEKXQXZHENUGRX-AAEUAGOBSA-N 1 2 233.359 3.413 20 0 BGADLO Cc1cc(NCC[C@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000070539846 359059539 /nfs/dbraw/zinc/05/95/39/359059539.db2.gz BEKXQXZHENUGRX-WCQYABFASA-N 1 2 233.359 3.413 20 0 BGADLO Cc1cc(NCC[C@@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000070539847 359059727 /nfs/dbraw/zinc/05/97/27/359059727.db2.gz BEKXQXZHENUGRX-YPMHNXCESA-N 1 2 233.359 3.413 20 0 BGADLO Cc1cc(NCC[C@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000070539848 359059434 /nfs/dbraw/zinc/05/94/34/359059434.db2.gz BEKXQXZHENUGRX-DGCLKSJQSA-N 1 2 233.359 3.413 20 0 BGADLO Cc1cc(NCc2ccc(Cl)s2)nc[nH+]1 ZINC000070559046 343335099 /nfs/dbraw/zinc/33/50/99/343335099.db2.gz BCJLOJDZDVPVEI-UHFFFAOYSA-N 1 2 239.731 3.112 20 0 BGADLO Cc1nc(NCc2ccc(Cl)s2)cc[nH+]1 ZINC000070600659 134993363 /nfs/dbraw/zinc/99/33/63/134993363.db2.gz WZYCIWHWXCCHPR-UHFFFAOYSA-N 1 2 239.731 3.112 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1nccs1)c1ccco1 ZINC000070634031 325018625 /nfs/dbraw/zinc/01/86/25/325018625.db2.gz DTOMIAOPTMRPHC-IUCAKERBSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccco1 ZINC000070634032 325018743 /nfs/dbraw/zinc/01/87/43/325018743.db2.gz DTOMIAOPTMRPHC-BDAKNGLRSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@H]([NH2+]Cc1ccccc1F)c1nccs1 ZINC000070650452 384129478 /nfs/dbraw/zinc/12/94/78/384129478.db2.gz MWIISDKBWGKJLY-VIFPVBQESA-N 1 2 236.315 3.133 20 0 BGADLO C[C@@H]([NH2+]Cc1ccccc1F)c1nccs1 ZINC000070650453 384131139 /nfs/dbraw/zinc/13/11/39/384131139.db2.gz MWIISDKBWGKJLY-SECBINFHSA-N 1 2 236.315 3.133 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1nccs1 ZINC000070650456 325019688 /nfs/dbraw/zinc/01/96/88/325019688.db2.gz IYWPJNKSPLUVOP-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1nccs1 ZINC000070650457 345795879 /nfs/dbraw/zinc/79/58/79/345795879.db2.gz IYWPJNKSPLUVOP-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO CC1(C)CCC(Nc2cccc[nH+]2)CC1 ZINC000070655391 383952527 /nfs/dbraw/zinc/95/25/27/383952527.db2.gz LUSZDAHBGHBQOA-UHFFFAOYSA-N 1 2 204.317 3.462 20 0 BGADLO Cc1nc(NC2CCC(C)(C)CC2)cc[nH+]1 ZINC000070655394 135003678 /nfs/dbraw/zinc/00/36/78/135003678.db2.gz JZBXNXVUGNISKX-UHFFFAOYSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1cc(NC2CCC(C)(C)CC2)nc[nH+]1 ZINC000070655415 178154164 /nfs/dbraw/zinc/15/41/64/178154164.db2.gz PCVSZZBKLDSVMR-UHFFFAOYSA-N 1 2 219.332 3.166 20 0 BGADLO CC1(C)CCC[C@H]([NH2+]CC(F)(F)F)C1 ZINC000070682504 361720380 /nfs/dbraw/zinc/72/03/80/361720380.db2.gz OCBFGQDDYWDINJ-QMMMGPOBSA-N 1 2 209.255 3.107 20 0 BGADLO CC1(C)CCC[C@@H]([NH2+]CC(F)(F)F)C1 ZINC000070682506 361720542 /nfs/dbraw/zinc/72/05/42/361720542.db2.gz OCBFGQDDYWDINJ-MRVPVSSYSA-N 1 2 209.255 3.107 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(C)o1)c1nccs1 ZINC000070717094 359061791 /nfs/dbraw/zinc/06/17/91/359061791.db2.gz IPGATCLJWOCQKA-NSHDSACASA-N 1 2 236.340 3.285 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(C)o1)c1nccs1 ZINC000070717096 359062083 /nfs/dbraw/zinc/06/20/83/359062083.db2.gz IPGATCLJWOCQKA-LLVKDONJSA-N 1 2 236.340 3.285 20 0 BGADLO CCc1ccc(C[NH2+][C@@H](C)c2nccs2)o1 ZINC000070732246 325026814 /nfs/dbraw/zinc/02/68/14/325026814.db2.gz XMBFWFQZASERCE-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccs2)o1 ZINC000070732302 384134572 /nfs/dbraw/zinc/13/45/72/384134572.db2.gz ZOHMNZPRMRVNJS-ZJUUUORDSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nccs2)o1 ZINC000070732303 384133389 /nfs/dbraw/zinc/13/33/89/384133389.db2.gz ZOHMNZPRMRVNJS-UWVGGRQHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2ccco2)n1 ZINC000070732624 135010475 /nfs/dbraw/zinc/01/04/75/135010475.db2.gz BVVLCNQNEWZTLQ-VHSXEESVSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccco2)n1 ZINC000070732625 135010784 /nfs/dbraw/zinc/01/07/84/135010784.db2.gz BVVLCNQNEWZTLQ-UWVGGRQHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2ccco2)n1 ZINC000070732626 135010631 /nfs/dbraw/zinc/01/06/31/135010631.db2.gz BVVLCNQNEWZTLQ-NXEZZACHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1csc([C@H](C)[NH2+][C@H](C)c2ccco2)n1 ZINC000070732627 135010525 /nfs/dbraw/zinc/01/05/25/135010525.db2.gz BVVLCNQNEWZTLQ-ZJUUUORDSA-N 1 2 236.340 3.456 20 0 BGADLO COc1ccc([NH2+][C@H]2CC[C@@H](C)C2)cc1 ZINC000070748706 175155344 /nfs/dbraw/zinc/15/53/44/175155344.db2.gz YEYIWBSZQOOPDQ-PWSUYJOCSA-N 1 2 205.301 3.296 20 0 BGADLO COc1ccc([NH2+][C@H]2CC[C@H](C)C2)cc1 ZINC000070748708 175155371 /nfs/dbraw/zinc/15/53/71/175155371.db2.gz YEYIWBSZQOOPDQ-JQWIXIFHSA-N 1 2 205.301 3.296 20 0 BGADLO COc1ccc([NH2+][C@@H]2CC[C@@H](C)C2)cc1 ZINC000070748711 175154465 /nfs/dbraw/zinc/15/44/65/175154465.db2.gz YEYIWBSZQOOPDQ-ZYHUDNBSSA-N 1 2 205.301 3.296 20 0 BGADLO COc1ccc([NH2+][C@@H]2CC[C@H](C)C2)cc1 ZINC000070748712 175154468 /nfs/dbraw/zinc/15/44/68/175154468.db2.gz YEYIWBSZQOOPDQ-CMPLNLGQSA-N 1 2 205.301 3.296 20 0 BGADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)c(C)s1 ZINC000070891301 490245914 /nfs/dbraw/zinc/24/59/14/490245914.db2.gz RCPKFIKUODFAIJ-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO COc1ccccc1C[NH2+][C@@H](C)c1nccs1 ZINC000070942576 325045905 /nfs/dbraw/zinc/04/59/05/325045905.db2.gz IDCNEXGMIULAGM-JTQLQIEISA-N 1 2 248.351 3.003 20 0 BGADLO Cc1cc[nH+]cc1NCc1ccc(F)cc1 ZINC000070957455 387119989 /nfs/dbraw/zinc/11/99/89/387119989.db2.gz JOKRCMKQEFGPRR-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1cc[nH+]cc1NCc1cccc(F)c1 ZINC000070957508 387121334 /nfs/dbraw/zinc/12/13/34/387121334.db2.gz UCQYTAPALGDKGF-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1ccccc1CNc1c[nH+]ccc1C ZINC000070957511 179285811 /nfs/dbraw/zinc/28/58/11/179285811.db2.gz BFCMSFCTUKEMLZ-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1ccc(CNc2c[nH+]ccc2C)cc1 ZINC000070957517 387121272 /nfs/dbraw/zinc/12/12/72/387121272.db2.gz ASDQVZXKTVDVOJ-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1cccc(CNc2c[nH+]ccc2C)c1 ZINC000070957548 187233682 /nfs/dbraw/zinc/23/36/82/187233682.db2.gz OVDPWLBTEQVGJJ-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1cc[nH+]cc1NCc1cccs1 ZINC000070957741 384143964 /nfs/dbraw/zinc/14/39/64/384143964.db2.gz JOQWBQCLJBLCGB-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO Cc1ccsc1CNc1c[nH+]ccc1C ZINC000070957784 383972531 /nfs/dbraw/zinc/97/25/31/383972531.db2.gz NMRXSLDQWHSOQG-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1cc[nH+]cc1NCc1ccsc1 ZINC000070957789 384144202 /nfs/dbraw/zinc/14/42/02/384144202.db2.gz WCRRTEQYCQHSIL-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO Cc1cc[nH+]cc1NCC1CCCCC1 ZINC000070957795 384143187 /nfs/dbraw/zinc/14/31/87/384143187.db2.gz LKHBDMPEIYLNAW-UHFFFAOYSA-N 1 2 204.317 3.382 20 0 BGADLO Cc1cc[nH+]cc1NCc1ccccc1F ZINC000070958169 387121085 /nfs/dbraw/zinc/12/10/85/387121085.db2.gz UKJFQGMLIZLSPZ-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1cc[nH+]cc1NC[C@H]1CC=CCC1 ZINC000070958252 384144094 /nfs/dbraw/zinc/14/40/94/384144094.db2.gz UTFKGUCVJIIMEQ-LBPRGKRZSA-N 1 2 202.301 3.158 20 0 BGADLO Cc1cc[nH+]cc1NC[C@@H]1CC=CCC1 ZINC000070958255 384142482 /nfs/dbraw/zinc/14/24/82/384142482.db2.gz UTFKGUCVJIIMEQ-GFCCVEGCSA-N 1 2 202.301 3.158 20 0 BGADLO Cc1ccc(CNc2c[nH+]ccc2C)s1 ZINC000070958259 384143800 /nfs/dbraw/zinc/14/38/00/384143800.db2.gz UHVQJVKGVQKTIT-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1cc[nH+]cc1NCc1ccc(Cl)o1 ZINC000070958329 134926613 /nfs/dbraw/zinc/92/66/13/134926613.db2.gz CLLRKMOSTHOJSA-UHFFFAOYSA-N 1 2 222.675 3.249 20 0 BGADLO CCc1ccc(CNc2c[nH+]ccc2C)o1 ZINC000070958464 384143633 /nfs/dbraw/zinc/14/36/33/384143633.db2.gz RCOOKOVDTDWWJS-UHFFFAOYSA-N 1 2 216.284 3.158 20 0 BGADLO CCc1ncc(CNc2c[nH+]ccc2C)s1 ZINC000070958581 172020717 /nfs/dbraw/zinc/02/07/17/172020717.db2.gz SYUAWIGXAFQJOJ-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO C[C@H]([NH2+]Cc1ccno1)c1ccccc1Cl ZINC000071089178 384151344 /nfs/dbraw/zinc/15/13/44/384151344.db2.gz HEWSDTVQUGYKKV-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO C[C@@H]([NH2+]Cc1ccno1)c1ccccc1Cl ZINC000071089179 325053830 /nfs/dbraw/zinc/05/38/30/325053830.db2.gz HEWSDTVQUGYKKV-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO CCc1cc(N[C@@H](C)Cc2cccs2)nc[nH+]1 ZINC000071271199 343646360 /nfs/dbraw/zinc/64/63/60/343646360.db2.gz JNHOKSLFFMZBCI-JTQLQIEISA-N 1 2 247.367 3.144 20 0 BGADLO CCc1cc(N[C@H](C)Cc2cccs2)nc[nH+]1 ZINC000071271202 343646844 /nfs/dbraw/zinc/64/68/44/343646844.db2.gz JNHOKSLFFMZBCI-SNVBAGLBSA-N 1 2 247.367 3.144 20 0 BGADLO COc1ccc(CNc2c[nH+]ccc2C)cc1F ZINC000071412899 188259054 /nfs/dbraw/zinc/25/90/54/188259054.db2.gz UZJQIOTXNYKBHH-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO CCOc1ccccc1CNc1c[nH+]ccc1C ZINC000071412908 387123541 /nfs/dbraw/zinc/12/35/41/387123541.db2.gz JBVWTQLENMDAMM-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO CCOc1ccc(CNc2c[nH+]ccc2C)cc1 ZINC000071412913 387123058 /nfs/dbraw/zinc/12/30/58/387123058.db2.gz NJSUKFXMDOPYJY-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO COc1ccc(CNc2c[nH+]ccc2C)cc1 ZINC000071413015 187396485 /nfs/dbraw/zinc/39/64/85/187396485.db2.gz KZXLAGUAKSRRSE-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO Cc1cc[nH+]cc1NCc1ccc(F)cc1F ZINC000071413021 384165975 /nfs/dbraw/zinc/16/59/75/384165975.db2.gz WOGJEJKAHPEPOW-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO COc1cccc(CNc2c[nH+]ccc2C)c1 ZINC000071413037 175268941 /nfs/dbraw/zinc/26/89/41/175268941.db2.gz GYNXFHYDDKHUNA-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO COc1ccccc1CNc1c[nH+]ccc1C ZINC000071413040 175331006 /nfs/dbraw/zinc/33/10/06/175331006.db2.gz GVIHPAIXIFLELS-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO Cc1cc[nH+]cc1NCc1c(F)cccc1F ZINC000071413073 387123753 /nfs/dbraw/zinc/12/37/53/387123753.db2.gz QQQYGZYDJWMARY-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1cc[nH+]cc1NCc1ccc(F)c(F)c1 ZINC000071413074 387123647 /nfs/dbraw/zinc/12/36/47/387123647.db2.gz YPJGDXMFKBDTTD-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1cc[nH+]cc1NCc1cc(F)ccc1F ZINC000071413629 387119806 /nfs/dbraw/zinc/11/98/06/387119806.db2.gz XSHJFQZDVZTRRQ-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO COc1ccc(C)cc1CNc1c[nH+]ccc1C ZINC000071413670 359079264 /nfs/dbraw/zinc/07/92/64/359079264.db2.gz QLSLFIPJGKYYNY-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1ccc(CNc2c[nH+]ccc2C)cc1C ZINC000071413809 490274383 /nfs/dbraw/zinc/27/43/83/490274383.db2.gz FHSXMHRIGXJQDG-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO CCOc1cccc(CNc2c[nH+]ccc2C)c1 ZINC000071413865 387122370 /nfs/dbraw/zinc/12/23/70/387122370.db2.gz QINGWWLGDJFVKF-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO Cc1cc[nH+]cc1NCc1ccc(F)cc1C ZINC000071413868 178086904 /nfs/dbraw/zinc/08/69/04/178086904.db2.gz BNJKGGULZFFJPR-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1cc[nH+]cc1NCc1ccc(F)c(C)c1 ZINC000071413869 178044546 /nfs/dbraw/zinc/04/45/46/178044546.db2.gz YIILLWCKHLVEQR-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Fc1ccc(C[NH+]2Cc3ccccc3C2)cc1F ZINC000071766033 359080418 /nfs/dbraw/zinc/08/04/18/359080418.db2.gz BSNJAVBWMBKITO-UHFFFAOYSA-N 1 2 245.272 3.481 20 0 BGADLO c1[nH+]c(SCc2cccnc2)n2ccccc12 ZINC000071850728 387122713 /nfs/dbraw/zinc/12/27/13/387122713.db2.gz CGNWVPONOSWEQK-UHFFFAOYSA-N 1 2 241.319 3.022 20 0 BGADLO CC(C)CSc1[nH+]cc2ccccn21 ZINC000072099298 387124000 /nfs/dbraw/zinc/12/40/00/387124000.db2.gz YGZTZWNTDAITOM-UHFFFAOYSA-N 1 2 206.314 3.082 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2cccs2)cs1 ZINC000072563107 368774270 /nfs/dbraw/zinc/77/42/70/368774270.db2.gz UFTGSJLHMLIKPQ-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2cccs2)cs1 ZINC000072563107 368774264 /nfs/dbraw/zinc/77/42/64/368774264.db2.gz UFTGSJLHMLIKPQ-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO CCc1cnc(C[NH2+]C2(c3ccccc3)CC2)o1 ZINC000072604852 368775814 /nfs/dbraw/zinc/77/58/14/368775814.db2.gz CYRBMCFAOZZGIY-UHFFFAOYSA-N 1 2 242.322 3.016 20 0 BGADLO Cc1cnc(C[NH2+]C(C)(C)c2ccc(F)cc2)o1 ZINC000072607333 643269644 /nfs/dbraw/zinc/26/96/44/643269644.db2.gz KMQHAMBBLLAUNH-UHFFFAOYSA-N 1 2 248.301 3.147 20 0 BGADLO c1coc(CSCc2cn3ccccc3[nH+]2)c1 ZINC000072642829 351335672 /nfs/dbraw/zinc/33/56/72/351335672.db2.gz PLXINFKQVMNBCU-UHFFFAOYSA-N 1 2 244.319 3.361 20 0 BGADLO Cc1cc(NC(=O)c2cccc(C)c2C)cc[nH+]1 ZINC000072672346 359088299 /nfs/dbraw/zinc/08/82/99/359088299.db2.gz WOIBESFRKMOKLD-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO CSCCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000072674309 398184711 /nfs/dbraw/zinc/18/47/11/398184711.db2.gz LNVZEHOQQUBDRY-UHFFFAOYSA-N 1 2 248.351 3.004 20 0 BGADLO Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)s1 ZINC000072709704 353277190 /nfs/dbraw/zinc/27/71/90/353277190.db2.gz NCOYSYFHRRSRNO-UHFFFAOYSA-N 1 2 232.308 3.012 20 0 BGADLO Cc1cc(NC(=O)c2cccc(Cl)c2)cc[nH+]1 ZINC000072709710 322953034 /nfs/dbraw/zinc/95/30/34/322953034.db2.gz NRJBNQMYXOGUTO-UHFFFAOYSA-N 1 2 246.697 3.296 20 0 BGADLO Cc1cc(NC(=O)CCC2CCCC2)cc[nH+]1 ZINC000072709733 325168263 /nfs/dbraw/zinc/16/82/63/325168263.db2.gz BGMBYHDMWBKJEJ-UHFFFAOYSA-N 1 2 232.327 3.299 20 0 BGADLO Cc1cc(NC(=O)CC2CCCCC2)cc[nH+]1 ZINC000072709927 384702445 /nfs/dbraw/zinc/70/24/45/384702445.db2.gz ITEYSQXIZWIFGG-UHFFFAOYSA-N 1 2 232.327 3.299 20 0 BGADLO Fc1cccc(CC[N@H+](CC(F)F)C2CC2)c1 ZINC000072977824 384239097 /nfs/dbraw/zinc/23/90/97/384239097.db2.gz LEJRKMHASMQZDV-UHFFFAOYSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1cccc(CC[N@@H+](CC(F)F)C2CC2)c1 ZINC000072977824 384239091 /nfs/dbraw/zinc/23/90/91/384239091.db2.gz LEJRKMHASMQZDV-UHFFFAOYSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1ccccc1OCCCNc1cccc[nH+]1 ZINC000072991474 643348245 /nfs/dbraw/zinc/34/82/45/643348245.db2.gz GDHATASFTLTNTP-UHFFFAOYSA-N 1 2 246.285 3.102 20 0 BGADLO Cc1cc(NC(=O)CCc2ccsc2)cc[nH+]1 ZINC000073069289 325187779 /nfs/dbraw/zinc/18/77/79/325187779.db2.gz JOYPANYCUNQTEO-UHFFFAOYSA-N 1 2 246.335 3.023 20 0 BGADLO CCC(C)(C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000073093412 352044204 /nfs/dbraw/zinc/04/42/04/352044204.db2.gz LYFPRCZRRCWBHU-UHFFFAOYSA-N 1 2 220.316 3.155 20 0 BGADLO Cc1ccc(CNc2cccc[nH+]2)cc1F ZINC000073109509 384024732 /nfs/dbraw/zinc/02/47/32/384024732.db2.gz IALJKRTXZISUOO-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO c1cn(Cc2csc(-c3ccsc3)n2)c[nH+]1 ZINC000073180450 359098181 /nfs/dbraw/zinc/09/81/81/359098181.db2.gz DSVAKMPTZJWNLU-UHFFFAOYSA-N 1 2 247.348 3.116 20 0 BGADLO Cc1cc(NC(=O)c2cc(F)ccc2C)cc[nH+]1 ZINC000073409182 359101922 /nfs/dbraw/zinc/10/19/22/359101922.db2.gz OTWNYDZKMYJMAH-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C1C(C)(C)C1(C)C ZINC000073472051 325201124 /nfs/dbraw/zinc/20/11/24/325201124.db2.gz ONYLKCJSOTVIQE-UHFFFAOYSA-N 1 2 232.327 3.011 20 0 BGADLO Cc1oc(C)c(C(=O)Nc2cc[nH+]c(C)c2)c1C ZINC000073557413 412053393 /nfs/dbraw/zinc/05/33/93/412053393.db2.gz DVMNGYYPFWZYLH-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO c1ccc(C2(CNc3cccc[nH+]3)CC2)cc1 ZINC000074192209 183387984 /nfs/dbraw/zinc/38/79/84/183387984.db2.gz BKECEVSBQZTWFC-UHFFFAOYSA-N 1 2 224.307 3.225 20 0 BGADLO CC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000074449312 359119452 /nfs/dbraw/zinc/11/94/52/359119452.db2.gz GNKNDELKBASVDM-UHFFFAOYSA-N 1 2 230.138 3.371 20 0 BGADLO CC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000074449312 359119448 /nfs/dbraw/zinc/11/94/48/359119448.db2.gz GNKNDELKBASVDM-UHFFFAOYSA-N 1 2 230.138 3.371 20 0 BGADLO Cc1[nH]c2ccc(NC(=O)C3CCCC3)cc2[nH+]1 ZINC000074819673 359130591 /nfs/dbraw/zinc/13/05/91/359130591.db2.gz MSFMMNSWDTXORG-UHFFFAOYSA-N 1 2 243.310 3.000 20 0 BGADLO Cc1[nH]c2ccc(NC(=O)CC(C)(C)C)cc2[nH+]1 ZINC000074819701 359130888 /nfs/dbraw/zinc/13/08/88/359130888.db2.gz MNUHBNFZJVHLBQ-UHFFFAOYSA-N 1 2 245.326 3.246 20 0 BGADLO CCCCC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000074829733 491124267 /nfs/dbraw/zinc/12/42/67/491124267.db2.gz ZVJSWXXKZKHFLI-UHFFFAOYSA-N 1 2 243.310 3.205 20 0 BGADLO CC(C)CC(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000074829734 491124257 /nfs/dbraw/zinc/12/42/57/491124257.db2.gz QDQXVGNOSFBMJJ-UHFFFAOYSA-N 1 2 243.310 3.061 20 0 BGADLO CC(C)(C)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000074829744 491124264 /nfs/dbraw/zinc/12/42/64/491124264.db2.gz VSEICUMTXPCMRR-UHFFFAOYSA-N 1 2 243.310 3.061 20 0 BGADLO CCCCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000074829948 534955523 /nfs/dbraw/zinc/95/55/23/534955523.db2.gz UVJGKBYLFTXNRE-UHFFFAOYSA-N 1 2 243.310 3.205 20 0 BGADLO CC(C)(C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000074829955 488024399 /nfs/dbraw/zinc/02/43/99/488024399.db2.gz GNGBAMLXINGZOD-UHFFFAOYSA-N 1 2 243.310 3.061 20 0 BGADLO Cc1cn2cc(NC(=O)CC(C)(C)C)ccc2[nH+]1 ZINC000074859585 384305731 /nfs/dbraw/zinc/30/57/31/384305731.db2.gz BQWUNMRVGOEEBX-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO Cc1cc(NC(=O)CCc2cccs2)cc[nH+]1 ZINC000074932093 388462091 /nfs/dbraw/zinc/46/20/91/388462091.db2.gz FURORIHNLZIXJS-UHFFFAOYSA-N 1 2 246.335 3.023 20 0 BGADLO Cc1ccc(C)c(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000074946446 359136591 /nfs/dbraw/zinc/13/65/91/359136591.db2.gz PJXIIGIKZGWLFX-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO Cc1cc(NC(=O)c2ccc(F)c(C)c2)cc[nH+]1 ZINC000074946507 359136727 /nfs/dbraw/zinc/13/67/27/359136727.db2.gz ZVFUKEZKZMIENF-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1cc(NC(=O)/C=C/c2ccccc2)cc[nH+]1 ZINC000075285023 388463659 /nfs/dbraw/zinc/46/36/59/388463659.db2.gz DXUDHCVOVDFDDF-BQYQJAHWSA-N 1 2 238.290 3.042 20 0 BGADLO Cn1cc[nH+]c1CSc1ccc(Cl)cc1 ZINC000075476826 344771914 /nfs/dbraw/zinc/77/19/14/344771914.db2.gz AWGTZTZLFIRCCF-UHFFFAOYSA-N 1 2 238.743 3.366 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)o1 ZINC000075586839 410051906 /nfs/dbraw/zinc/05/19/06/410051906.db2.gz ZRHUWFNNJKNCEO-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)o1 ZINC000075586839 410051899 /nfs/dbraw/zinc/05/18/99/410051899.db2.gz ZRHUWFNNJKNCEO-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)o1 ZINC000075586844 410051384 /nfs/dbraw/zinc/05/13/84/410051384.db2.gz ZRHUWFNNJKNCEO-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)o1 ZINC000075586844 410051380 /nfs/dbraw/zinc/05/13/80/410051380.db2.gz ZRHUWFNNJKNCEO-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO CCc1cnc(C[N@@H+](C)Cc2ccccc2C)o1 ZINC000075589464 344779887 /nfs/dbraw/zinc/77/98/87/344779887.db2.gz BMSNNZRXIWYNGJ-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1cnc(C[N@H+](C)Cc2ccccc2C)o1 ZINC000075589464 344779885 /nfs/dbraw/zinc/77/98/85/344779885.db2.gz BMSNNZRXIWYNGJ-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccccc2)o1 ZINC000075597566 384331471 /nfs/dbraw/zinc/33/14/71/384331471.db2.gz PZMQWQWTURLAFM-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccccc2)o1 ZINC000075597566 384331463 /nfs/dbraw/zinc/33/14/63/384331463.db2.gz PZMQWQWTURLAFM-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccccc2)o1 ZINC000075597570 384331624 /nfs/dbraw/zinc/33/16/24/384331624.db2.gz PZMQWQWTURLAFM-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccccc2)o1 ZINC000075597570 384331619 /nfs/dbraw/zinc/33/16/19/384331619.db2.gz PZMQWQWTURLAFM-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO CCc1cnc(C[N@@H+](C)[C@@H](C)c2ccccc2)o1 ZINC000075597607 344780447 /nfs/dbraw/zinc/78/04/47/344780447.db2.gz HLYIDUDROOKTLG-LBPRGKRZSA-N 1 2 244.338 3.430 20 0 BGADLO CCc1cnc(C[N@H+](C)[C@@H](C)c2ccccc2)o1 ZINC000075597607 344780444 /nfs/dbraw/zinc/78/04/44/344780444.db2.gz HLYIDUDROOKTLG-LBPRGKRZSA-N 1 2 244.338 3.430 20 0 BGADLO CCc1cnc(C[N@@H+](C)[C@H](C)c2ccccc2)o1 ZINC000075597608 344780638 /nfs/dbraw/zinc/78/06/38/344780638.db2.gz HLYIDUDROOKTLG-GFCCVEGCSA-N 1 2 244.338 3.430 20 0 BGADLO CCc1cnc(C[N@H+](C)[C@H](C)c2ccccc2)o1 ZINC000075597608 344780637 /nfs/dbraw/zinc/78/06/37/344780637.db2.gz HLYIDUDROOKTLG-GFCCVEGCSA-N 1 2 244.338 3.430 20 0 BGADLO CCc1ccc(C[N@@H+](C)Cc2ncc(C)o2)cc1 ZINC000075615727 344780417 /nfs/dbraw/zinc/78/04/17/344780417.db2.gz JDBNDJWJVBJMLN-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1ccc(C[N@H+](C)Cc2ncc(C)o2)cc1 ZINC000075615727 344780414 /nfs/dbraw/zinc/78/04/14/344780414.db2.gz JDBNDJWJVBJMLN-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccccc2F)o1 ZINC000075641076 410052820 /nfs/dbraw/zinc/05/28/20/410052820.db2.gz FPCGMJPQYKBIAY-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccccc2F)o1 ZINC000075641076 410052813 /nfs/dbraw/zinc/05/28/13/410052813.db2.gz FPCGMJPQYKBIAY-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccccc2F)o1 ZINC000075641078 410053546 /nfs/dbraw/zinc/05/35/46/410053546.db2.gz FPCGMJPQYKBIAY-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccccc2F)o1 ZINC000075641078 410053539 /nfs/dbraw/zinc/05/35/39/410053539.db2.gz FPCGMJPQYKBIAY-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO CCc1cnc(C[N@@H+](C)[C@@H](C)c2ccco2)o1 ZINC000075674463 344784157 /nfs/dbraw/zinc/78/41/57/344784157.db2.gz OTGRDXIFGFYBJF-JTQLQIEISA-N 1 2 234.299 3.023 20 0 BGADLO CCc1cnc(C[N@H+](C)[C@@H](C)c2ccco2)o1 ZINC000075674463 344784156 /nfs/dbraw/zinc/78/41/56/344784156.db2.gz OTGRDXIFGFYBJF-JTQLQIEISA-N 1 2 234.299 3.023 20 0 BGADLO CCc1cnc(C[N@@H+](C)[C@H](C)c2ccco2)o1 ZINC000075674465 344783868 /nfs/dbraw/zinc/78/38/68/344783868.db2.gz OTGRDXIFGFYBJF-SNVBAGLBSA-N 1 2 234.299 3.023 20 0 BGADLO CCc1cnc(C[N@H+](C)[C@H](C)c2ccco2)o1 ZINC000075674465 344783864 /nfs/dbraw/zinc/78/38/64/344783864.db2.gz OTGRDXIFGFYBJF-SNVBAGLBSA-N 1 2 234.299 3.023 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccccc2)n1C ZINC000075839100 487713484 /nfs/dbraw/zinc/71/34/84/487713484.db2.gz HWYHPIUDEXPLBE-UHFFFAOYSA-N 1 2 200.285 3.211 20 0 BGADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(F)F)C1 ZINC000075843276 370173507 /nfs/dbraw/zinc/17/35/07/370173507.db2.gz LYSVTELRZQNGMV-BXKDBHETSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(F)F)C1 ZINC000075843276 370173504 /nfs/dbraw/zinc/17/35/04/370173504.db2.gz LYSVTELRZQNGMV-BXKDBHETSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC(F)F)C1 ZINC000075843277 370174455 /nfs/dbraw/zinc/17/44/55/370174455.db2.gz LYSVTELRZQNGMV-JOYOIKCWSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CC(F)F)C1 ZINC000075843277 370174451 /nfs/dbraw/zinc/17/44/51/370174451.db2.gz LYSVTELRZQNGMV-JOYOIKCWSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(F)F)C1 ZINC000075843278 370173933 /nfs/dbraw/zinc/17/39/33/370173933.db2.gz LYSVTELRZQNGMV-SKDRFNHKSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(F)F)C1 ZINC000075843278 370173929 /nfs/dbraw/zinc/17/39/29/370173929.db2.gz LYSVTELRZQNGMV-SKDRFNHKSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC(F)F)C1 ZINC000075843279 370173221 /nfs/dbraw/zinc/17/32/21/370173221.db2.gz LYSVTELRZQNGMV-CABZTGNLSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CC(F)F)C1 ZINC000075843279 370173214 /nfs/dbraw/zinc/17/32/14/370173214.db2.gz LYSVTELRZQNGMV-CABZTGNLSA-N 1 2 243.272 3.474 20 0 BGADLO Cc1ccc(C(C)(C)C[N@@H+](C)CC(F)F)cc1 ZINC000075861703 349413333 /nfs/dbraw/zinc/41/33/33/349413333.db2.gz QKLXFHHBBLETLG-UHFFFAOYSA-N 1 2 241.325 3.470 20 0 BGADLO Cc1ccc(C(C)(C)C[N@H+](C)CC(F)F)cc1 ZINC000075861703 349413330 /nfs/dbraw/zinc/41/33/30/349413330.db2.gz QKLXFHHBBLETLG-UHFFFAOYSA-N 1 2 241.325 3.470 20 0 BGADLO C=C(Cl)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000075997753 643255652 /nfs/dbraw/zinc/25/56/52/643255652.db2.gz PRNNUYXJHZKTCN-UHFFFAOYSA-N 1 2 227.657 3.013 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ccon2)[C@H](c2ccco2)C1 ZINC000076184465 135014378 /nfs/dbraw/zinc/01/43/78/135014378.db2.gz VRJRLGPGJOJFQF-YPMHNXCESA-N 1 2 246.310 3.241 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ccon2)[C@H](c2ccco2)C1 ZINC000076184465 135014377 /nfs/dbraw/zinc/01/43/77/135014377.db2.gz VRJRLGPGJOJFQF-YPMHNXCESA-N 1 2 246.310 3.241 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2ccon2)[C@H](c2ccco2)C1 ZINC000076184466 135014799 /nfs/dbraw/zinc/01/47/99/135014799.db2.gz VRJRLGPGJOJFQF-AAEUAGOBSA-N 1 2 246.310 3.241 20 0 BGADLO C[C@H]1CC[N@H+](Cc2ccon2)[C@H](c2ccco2)C1 ZINC000076184466 135014797 /nfs/dbraw/zinc/01/47/97/135014797.db2.gz VRJRLGPGJOJFQF-AAEUAGOBSA-N 1 2 246.310 3.241 20 0 BGADLO Cc1ccc(CN(C)c2cccc[nH+]2)s1 ZINC000076290789 344800405 /nfs/dbraw/zinc/80/04/05/344800405.db2.gz AVBDQZQCYWXSOB-UHFFFAOYSA-N 1 2 218.325 3.088 20 0 BGADLO CCN(Cc1[nH+]ccn1CC)c1ccccc1C ZINC000076292676 325339607 /nfs/dbraw/zinc/33/96/07/325339607.db2.gz SZDXMBXLPUJJRV-UHFFFAOYSA-N 1 2 243.354 3.238 20 0 BGADLO CCn1cc[nH+]c1CN(C)c1cccc(C)c1C ZINC000076292693 323186364 /nfs/dbraw/zinc/18/63/64/323186364.db2.gz TXSOEPGLPRKMHT-UHFFFAOYSA-N 1 2 243.354 3.156 20 0 BGADLO CCn1cc[nH+]c1CN(C)c1cc(C)cc(C)c1 ZINC000076292695 325339717 /nfs/dbraw/zinc/33/97/17/325339717.db2.gz WUARQNYCYWDWIP-UHFFFAOYSA-N 1 2 243.354 3.156 20 0 BGADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(F)F)C1 ZINC000076385673 370275983 /nfs/dbraw/zinc/27/59/83/370275983.db2.gz WGLWPTJRIIOUQO-NWDGAFQWSA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(F)F)C1 ZINC000076385673 370275976 /nfs/dbraw/zinc/27/59/76/370275976.db2.gz WGLWPTJRIIOUQO-NWDGAFQWSA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC(F)F)C1 ZINC000076385678 370276421 /nfs/dbraw/zinc/27/64/21/370276421.db2.gz WGLWPTJRIIOUQO-RYUDHWBXSA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(F)F)C1 ZINC000076385678 370276418 /nfs/dbraw/zinc/27/64/18/370276418.db2.gz WGLWPTJRIIOUQO-RYUDHWBXSA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(F)F)C1 ZINC000076385688 370276220 /nfs/dbraw/zinc/27/62/20/370276220.db2.gz WGLWPTJRIIOUQO-VXGBXAGGSA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(F)F)C1 ZINC000076385688 370276217 /nfs/dbraw/zinc/27/62/17/370276217.db2.gz WGLWPTJRIIOUQO-VXGBXAGGSA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC(F)F)C1 ZINC000076385694 370276518 /nfs/dbraw/zinc/27/65/18/370276518.db2.gz WGLWPTJRIIOUQO-NEPJUHHUSA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC(F)F)C1 ZINC000076385694 370276516 /nfs/dbraw/zinc/27/65/16/370276516.db2.gz WGLWPTJRIIOUQO-NEPJUHHUSA-N 1 2 239.309 3.438 20 0 BGADLO CCOCc1ccc(CNc2cccc[nH+]2)cc1 ZINC000076652412 537962067 /nfs/dbraw/zinc/96/20/67/537962067.db2.gz DROPMGCMCDRGDT-UHFFFAOYSA-N 1 2 242.322 3.230 20 0 BGADLO C[C@@H]1CCC[C@H](N(C)c2cccc[nH+]2)C1 ZINC000076677694 384202649 /nfs/dbraw/zinc/20/26/49/384202649.db2.gz NFSFJXFFRZLAJP-NEPJUHHUSA-N 1 2 204.317 3.097 20 0 BGADLO C[C@H]1CCC[C@H](N(C)c2cccc[nH+]2)C1 ZINC000076677696 384202613 /nfs/dbraw/zinc/20/26/13/384202613.db2.gz NFSFJXFFRZLAJP-RYUDHWBXSA-N 1 2 204.317 3.097 20 0 BGADLO C[C@@H]1CCC[C@@H](N(C)c2cccc[nH+]2)C1 ZINC000076677700 384202004 /nfs/dbraw/zinc/20/20/04/384202004.db2.gz NFSFJXFFRZLAJP-VXGBXAGGSA-N 1 2 204.317 3.097 20 0 BGADLO C[C@H]1CCC[C@@H](N(C)c2cccc[nH+]2)C1 ZINC000076677703 384202073 /nfs/dbraw/zinc/20/20/73/384202073.db2.gz NFSFJXFFRZLAJP-NWDGAFQWSA-N 1 2 204.317 3.097 20 0 BGADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cs1 ZINC000076720401 491125481 /nfs/dbraw/zinc/12/54/81/491125481.db2.gz VIQDVPDRKIPNRB-CYBMUJFWSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cs1 ZINC000076720401 491125480 /nfs/dbraw/zinc/12/54/80/491125480.db2.gz VIQDVPDRKIPNRB-CYBMUJFWSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1nc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cs1 ZINC000076720403 491125492 /nfs/dbraw/zinc/12/54/92/491125492.db2.gz VIQDVPDRKIPNRB-ZDUSSCGKSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cs1 ZINC000076720403 491125491 /nfs/dbraw/zinc/12/54/91/491125491.db2.gz VIQDVPDRKIPNRB-ZDUSSCGKSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccco2)cs1 ZINC000076723319 135048873 /nfs/dbraw/zinc/04/88/73/135048873.db2.gz VCDNILQYDVDFBX-VIFPVBQESA-N 1 2 236.340 3.238 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccco2)cs1 ZINC000076723319 135048872 /nfs/dbraw/zinc/04/88/72/135048872.db2.gz VCDNILQYDVDFBX-VIFPVBQESA-N 1 2 236.340 3.238 20 0 BGADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccco2)cs1 ZINC000076723323 135048948 /nfs/dbraw/zinc/04/89/48/135048948.db2.gz VCDNILQYDVDFBX-SECBINFHSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccco2)cs1 ZINC000076723323 135048946 /nfs/dbraw/zinc/04/89/46/135048946.db2.gz VCDNILQYDVDFBX-SECBINFHSA-N 1 2 236.340 3.238 20 0 BGADLO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(F)F ZINC000076733519 370346732 /nfs/dbraw/zinc/34/67/32/370346732.db2.gz ZKSWGHVBRJLJDL-VIFPVBQESA-N 1 2 247.716 3.468 20 0 BGADLO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(F)F ZINC000076733519 370346728 /nfs/dbraw/zinc/34/67/28/370346728.db2.gz ZKSWGHVBRJLJDL-VIFPVBQESA-N 1 2 247.716 3.468 20 0 BGADLO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(F)F ZINC000076733523 370346407 /nfs/dbraw/zinc/34/64/07/370346407.db2.gz ZKSWGHVBRJLJDL-SECBINFHSA-N 1 2 247.716 3.468 20 0 BGADLO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(F)F ZINC000076733523 370346402 /nfs/dbraw/zinc/34/64/02/370346402.db2.gz ZKSWGHVBRJLJDL-SECBINFHSA-N 1 2 247.716 3.468 20 0 BGADLO CCN(Cc1[nH+]ccn1C)c1cc(C)ccc1C ZINC000076745522 344034262 /nfs/dbraw/zinc/03/42/62/344034262.db2.gz MDOYFJIFFJSUGU-UHFFFAOYSA-N 1 2 243.354 3.063 20 0 BGADLO CCN(Cc1[nH+]ccn1C)c1ccc(C)cc1C ZINC000076745531 344034274 /nfs/dbraw/zinc/03/42/74/344034274.db2.gz AEONMLZRQZNJOZ-UHFFFAOYSA-N 1 2 243.354 3.063 20 0 BGADLO CCN(Cc1[nH+]ccn1C)c1cc(C)cc(C)c1 ZINC000076745535 344034235 /nfs/dbraw/zinc/03/42/35/344034235.db2.gz NULPJVSBUOUKTO-UHFFFAOYSA-N 1 2 243.354 3.063 20 0 BGADLO Fc1ccccc1C1([NH2+]Cc2cscn2)CC1 ZINC000076766752 181010540 /nfs/dbraw/zinc/01/05/40/181010540.db2.gz HYKWUEUKLYTCJM-UHFFFAOYSA-N 1 2 248.326 3.061 20 0 BGADLO Fc1ccccc1C1([NH2+]Cc2ccco2)CC1 ZINC000076767062 370350176 /nfs/dbraw/zinc/35/01/76/370350176.db2.gz AYTOUHBGWSSGMN-UHFFFAOYSA-N 1 2 231.270 3.198 20 0 BGADLO C[C@@H](CNc1cccc[nH+]1)N(C)c1ccccc1 ZINC000076771862 344805840 /nfs/dbraw/zinc/80/58/40/344805840.db2.gz VYZKBNDUIRYCLK-ZDUSSCGKSA-N 1 2 241.338 3.018 20 0 BGADLO C[C@H](CNc1cccc[nH+]1)N(C)c1ccccc1 ZINC000076771867 344805837 /nfs/dbraw/zinc/80/58/37/344805837.db2.gz VYZKBNDUIRYCLK-CYBMUJFWSA-N 1 2 241.338 3.018 20 0 BGADLO CCc1ccc(CNc2cccc[nH+]2)s1 ZINC000076772169 384061902 /nfs/dbraw/zinc/06/19/02/384061902.db2.gz BWRLHCCUYHGYSN-UHFFFAOYSA-N 1 2 218.325 3.318 20 0 BGADLO Clc1cccc(OCCNc2cccc[nH+]2)c1 ZINC000076798660 344806548 /nfs/dbraw/zinc/80/65/48/344806548.db2.gz SHHZZGMINBMBDW-UHFFFAOYSA-N 1 2 248.713 3.226 20 0 BGADLO FC(F)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000076805135 370355599 /nfs/dbraw/zinc/35/55/99/370355599.db2.gz ZBGUENUOSQMBSG-JTQLQIEISA-N 1 2 229.270 3.462 20 0 BGADLO FC(F)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000076805135 370355598 /nfs/dbraw/zinc/35/55/98/370355598.db2.gz ZBGUENUOSQMBSG-JTQLQIEISA-N 1 2 229.270 3.462 20 0 BGADLO FC(F)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076805139 370355576 /nfs/dbraw/zinc/35/55/76/370355576.db2.gz ZBGUENUOSQMBSG-SNVBAGLBSA-N 1 2 229.270 3.462 20 0 BGADLO FC(F)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000076805139 370355571 /nfs/dbraw/zinc/35/55/71/370355571.db2.gz ZBGUENUOSQMBSG-SNVBAGLBSA-N 1 2 229.270 3.462 20 0 BGADLO Fc1cccc(F)c1CCNc1cccc[nH+]1 ZINC000076844450 344807402 /nfs/dbraw/zinc/80/74/02/344807402.db2.gz QRGQDOZVUUJVTH-UHFFFAOYSA-N 1 2 234.249 3.014 20 0 BGADLO CCOc1ccccc1CN(C)c1cccc[nH+]1 ZINC000076870986 344807652 /nfs/dbraw/zinc/80/76/52/344807652.db2.gz FICCHFSFEYUGMC-UHFFFAOYSA-N 1 2 242.322 3.117 20 0 BGADLO CC(C)[C@H]([NH2+]Cc1cscn1)c1ccccn1 ZINC000076903123 641833631 /nfs/dbraw/zinc/83/36/31/641833631.db2.gz YEBNTVSAUZULEM-ZDUSSCGKSA-N 1 2 247.367 3.025 20 0 BGADLO CC(C)[C@@H]([NH2+]Cc1cscn1)c1ccccn1 ZINC000076903129 641833619 /nfs/dbraw/zinc/83/36/19/641833619.db2.gz YEBNTVSAUZULEM-CYBMUJFWSA-N 1 2 247.367 3.025 20 0 BGADLO Cc1ccsc1CNc1cccc[nH+]1 ZINC000076925976 490326157 /nfs/dbraw/zinc/32/61/57/490326157.db2.gz VLOZCNVQPLEDQO-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO CCC[N@H+]1Cc2ccc(Br)cc2C1 ZINC000077005812 169210934 /nfs/dbraw/zinc/21/09/34/169210934.db2.gz VNVUEAMXRDBONX-UHFFFAOYSA-N 1 2 240.144 3.175 20 0 BGADLO CCC[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000077005812 169210933 /nfs/dbraw/zinc/21/09/33/169210933.db2.gz VNVUEAMXRDBONX-UHFFFAOYSA-N 1 2 240.144 3.175 20 0 BGADLO CC(C)[N@H+]1Cc2ccc(Br)cc2C1 ZINC000077005827 167034873 /nfs/dbraw/zinc/03/48/73/167034873.db2.gz YBRYLGCCLLZTFM-UHFFFAOYSA-N 1 2 240.144 3.173 20 0 BGADLO CC(C)[N@@H+]1Cc2ccc(Br)cc2C1 ZINC000077005827 167034870 /nfs/dbraw/zinc/03/48/70/167034870.db2.gz YBRYLGCCLLZTFM-UHFFFAOYSA-N 1 2 240.144 3.173 20 0 BGADLO Cc1ccccc1[C@@H]1C[C@H]1Nc1cccc[nH+]1 ZINC000077230262 487771017 /nfs/dbraw/zinc/77/10/17/487771017.db2.gz PHKSIFZNSDUYBV-UONOGXRCSA-N 1 2 224.307 3.358 20 0 BGADLO C[C@H]([NH2+]Cc1ccon1)c1ccc(Cl)cc1 ZINC000077247295 537963551 /nfs/dbraw/zinc/96/35/51/537963551.db2.gz OGDQVVWKLIKCJX-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(Cl)cc1 ZINC000077247296 537963614 /nfs/dbraw/zinc/96/36/14/537963614.db2.gz OGDQVVWKLIKCJX-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO Cc1cc([C@@H]2CCC[N@H+]2CCC(F)(F)F)no1 ZINC000077250297 344814132 /nfs/dbraw/zinc/81/41/32/344814132.db2.gz PNDPLMPTJBKFPP-JTQLQIEISA-N 1 2 248.248 3.072 20 0 BGADLO Cc1cc([C@@H]2CCC[N@@H+]2CCC(F)(F)F)no1 ZINC000077250297 344814131 /nfs/dbraw/zinc/81/41/31/344814131.db2.gz PNDPLMPTJBKFPP-JTQLQIEISA-N 1 2 248.248 3.072 20 0 BGADLO Cc1cc([C@H]2CCC[N@H+]2CCC(F)(F)F)no1 ZINC000077250299 344813844 /nfs/dbraw/zinc/81/38/44/344813844.db2.gz PNDPLMPTJBKFPP-SNVBAGLBSA-N 1 2 248.248 3.072 20 0 BGADLO Cc1cc([C@H]2CCC[N@@H+]2CCC(F)(F)F)no1 ZINC000077250299 344813841 /nfs/dbraw/zinc/81/38/41/344813841.db2.gz PNDPLMPTJBKFPP-SNVBAGLBSA-N 1 2 248.248 3.072 20 0 BGADLO CC[N@@H+](Cc1ccon1)[C@@H](C)c1ccc(F)cc1 ZINC000077266954 135060462 /nfs/dbraw/zinc/06/04/62/135060462.db2.gz SLMUVVLIWYKWCO-NSHDSACASA-N 1 2 248.301 3.397 20 0 BGADLO CC[N@H+](Cc1ccon1)[C@@H](C)c1ccc(F)cc1 ZINC000077266954 135060460 /nfs/dbraw/zinc/06/04/60/135060460.db2.gz SLMUVVLIWYKWCO-NSHDSACASA-N 1 2 248.301 3.397 20 0 BGADLO CC[N@@H+](Cc1ccon1)[C@H](C)c1ccc(F)cc1 ZINC000077266959 135060602 /nfs/dbraw/zinc/06/06/02/135060602.db2.gz SLMUVVLIWYKWCO-LLVKDONJSA-N 1 2 248.301 3.397 20 0 BGADLO CC[N@H+](Cc1ccon1)[C@H](C)c1ccc(F)cc1 ZINC000077266959 135060601 /nfs/dbraw/zinc/06/06/01/135060601.db2.gz SLMUVVLIWYKWCO-LLVKDONJSA-N 1 2 248.301 3.397 20 0 BGADLO CCCCCC[N@@H+](CC(F)F)C1CC1 ZINC000077283434 641843456 /nfs/dbraw/zinc/84/34/56/641843456.db2.gz RSGLRZWIOFWKIL-UHFFFAOYSA-N 1 2 205.292 3.296 20 0 BGADLO CCCCCC[N@H+](CC(F)F)C1CC1 ZINC000077283434 641843453 /nfs/dbraw/zinc/84/34/53/641843453.db2.gz RSGLRZWIOFWKIL-UHFFFAOYSA-N 1 2 205.292 3.296 20 0 BGADLO c1csc(C2=CC[N@@H+](Cc3ccon3)CC2)c1 ZINC000077317781 411217637 /nfs/dbraw/zinc/21/76/37/411217637.db2.gz SXADIUUEHUAZFG-UHFFFAOYSA-N 1 2 246.335 3.025 20 0 BGADLO c1csc(C2=CC[N@H+](Cc3ccon3)CC2)c1 ZINC000077317781 411217633 /nfs/dbraw/zinc/21/76/33/411217633.db2.gz SXADIUUEHUAZFG-UHFFFAOYSA-N 1 2 246.335 3.025 20 0 BGADLO c1ccc(C2CC(Nc3cccc[nH+]3)C2)cc1 ZINC000077357750 344067726 /nfs/dbraw/zinc/06/77/26/344067726.db2.gz PCJRXMWWXCYQAD-UHFFFAOYSA-N 1 2 224.307 3.440 20 0 BGADLO CCc1ccccc1CNc1cccc[nH+]1 ZINC000077901945 343245969 /nfs/dbraw/zinc/24/59/69/343245969.db2.gz RNOGXUMUGMEVPK-UHFFFAOYSA-N 1 2 212.296 3.256 20 0 BGADLO Cc1ccc(C[C@@H](C)Nc2cccc[nH+]2)s1 ZINC000078003875 135089663 /nfs/dbraw/zinc/08/96/63/135089663.db2.gz XCDPRFXPDJATHJ-SNVBAGLBSA-N 1 2 232.352 3.495 20 0 BGADLO Cc1ccc(C[C@H](C)Nc2cccc[nH+]2)s1 ZINC000078003876 135090090 /nfs/dbraw/zinc/09/00/90/135090090.db2.gz XCDPRFXPDJATHJ-JTQLQIEISA-N 1 2 232.352 3.495 20 0 BGADLO Cc1ccc(C[C@@H](C)Nc2cc[nH+]c(C)n2)s1 ZINC000078003886 135089509 /nfs/dbraw/zinc/08/95/09/135089509.db2.gz JCCQIWQCROSCAQ-SECBINFHSA-N 1 2 247.367 3.198 20 0 BGADLO Cc1ccc(C[C@H](C)Nc2cc[nH+]c(C)n2)s1 ZINC000078003887 135089582 /nfs/dbraw/zinc/08/95/82/135089582.db2.gz JCCQIWQCROSCAQ-VIFPVBQESA-N 1 2 247.367 3.198 20 0 BGADLO CC[N@@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000078172904 344831926 /nfs/dbraw/zinc/83/19/26/344831926.db2.gz YNVODZWRAKTMGS-UHFFFAOYSA-N 1 2 241.334 3.461 20 0 BGADLO CC[N@H+](CCc1ccccc1)c1ccc(O)cc1 ZINC000078172904 344831924 /nfs/dbraw/zinc/83/19/24/344831924.db2.gz YNVODZWRAKTMGS-UHFFFAOYSA-N 1 2 241.334 3.461 20 0 BGADLO CCc1ccc(C(=O)Nc2cc[nH+]c(C)c2)s1 ZINC000078230889 641905935 /nfs/dbraw/zinc/90/59/35/641905935.db2.gz ZADWDOPRDAYDGD-UHFFFAOYSA-N 1 2 246.335 3.266 20 0 BGADLO Cc1nc(NCC(C)(C)c2cccs2)cc[nH+]1 ZINC000078260801 135392843 /nfs/dbraw/zinc/39/28/43/135392843.db2.gz WWLVYXDBSSTCDC-UHFFFAOYSA-N 1 2 247.367 3.236 20 0 BGADLO Cc1nc(NCc2coc3ccccc23)cc[nH+]1 ZINC000078260836 344837967 /nfs/dbraw/zinc/83/79/67/344837967.db2.gz AQGIIFOGFSFERX-UHFFFAOYSA-N 1 2 239.278 3.143 20 0 BGADLO Cc1nc(N2CCC[C@H](C(C)C)CC2)cc[nH+]1 ZINC000078261577 344838214 /nfs/dbraw/zinc/83/82/14/344838214.db2.gz GPHKHSUJMWORLI-ZDUSSCGKSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1nc(N2CCC[C@@H](C(C)C)CC2)cc[nH+]1 ZINC000078261581 344838101 /nfs/dbraw/zinc/83/81/01/344838101.db2.gz GPHKHSUJMWORLI-CYBMUJFWSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1nc(N2CCC(C(C)(C)C)CC2)cc[nH+]1 ZINC000078265251 344841246 /nfs/dbraw/zinc/84/12/46/344841246.db2.gz YXHJUKOQZIJDOK-UHFFFAOYSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1ccc([C@@H](C)CNc2cc[nH+]c(C)n2)cc1 ZINC000078294834 344843473 /nfs/dbraw/zinc/84/34/73/344843473.db2.gz WGAYCAPFXNADMN-LBPRGKRZSA-N 1 2 241.338 3.309 20 0 BGADLO Cc1ccc([C@H](C)CNc2cc[nH+]c(C)n2)cc1 ZINC000078294835 344843794 /nfs/dbraw/zinc/84/37/94/344843794.db2.gz WGAYCAPFXNADMN-GFCCVEGCSA-N 1 2 241.338 3.309 20 0 BGADLO Cc1ccccc1[C@@H]1C[C@H]1Nc1cc[nH+]c(C)n1 ZINC000078299668 487841692 /nfs/dbraw/zinc/84/16/92/487841692.db2.gz YJQPVGYOKKQTFP-UONOGXRCSA-N 1 2 239.322 3.061 20 0 BGADLO Cc1cccc([C@@H](C)CNc2cc[nH+]c(C)n2)c1 ZINC000078303026 344843283 /nfs/dbraw/zinc/84/32/83/344843283.db2.gz GVLJMRVQOKVRNI-LBPRGKRZSA-N 1 2 241.338 3.309 20 0 BGADLO Cc1cccc([C@H](C)CNc2cc[nH+]c(C)n2)c1 ZINC000078303030 344843178 /nfs/dbraw/zinc/84/31/78/344843178.db2.gz GVLJMRVQOKVRNI-GFCCVEGCSA-N 1 2 241.338 3.309 20 0 BGADLO Cc1cc(CNc2cc[nH+]c(C)n2)c(C)s1 ZINC000078332383 631325750 /nfs/dbraw/zinc/32/57/50/631325750.db2.gz FVQAYPGJNGASMM-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO c1ccc(C[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000078335068 344847624 /nfs/dbraw/zinc/84/76/24/344847624.db2.gz NBZGUPMJSRNKBL-HNNXBMFYSA-N 1 2 238.334 3.151 20 0 BGADLO c1ccc(C[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000078335070 344847814 /nfs/dbraw/zinc/84/78/14/344847814.db2.gz NBZGUPMJSRNKBL-OAHLLOKOSA-N 1 2 238.334 3.151 20 0 BGADLO CC1(C)CCCN(c2cccc[nH+]2)CC1 ZINC000078373545 344856208 /nfs/dbraw/zinc/85/62/08/344856208.db2.gz RWTZTKDYKDEXIH-UHFFFAOYSA-N 1 2 204.317 3.098 20 0 BGADLO C[C@]1(c2ccccc2)C[C@@H]1Nc1cccc[nH+]1 ZINC000078374175 370554922 /nfs/dbraw/zinc/55/49/22/370554922.db2.gz SCOWRMGRYRNIOX-DZGCQCFKSA-N 1 2 224.307 3.224 20 0 BGADLO C[C@@]1(c2ccccc2)C[C@@H]1Nc1cccc[nH+]1 ZINC000078374177 370555446 /nfs/dbraw/zinc/55/54/46/370555446.db2.gz SCOWRMGRYRNIOX-ZFWWWQNUSA-N 1 2 224.307 3.224 20 0 BGADLO C[C@]1(c2ccccc2)C[C@H]1Nc1cccc[nH+]1 ZINC000078374179 370555353 /nfs/dbraw/zinc/55/53/53/370555353.db2.gz SCOWRMGRYRNIOX-UKRRQHHQSA-N 1 2 224.307 3.224 20 0 BGADLO C[C@@]1(c2ccccc2)C[C@H]1Nc1cccc[nH+]1 ZINC000078374181 370554867 /nfs/dbraw/zinc/55/48/67/370554867.db2.gz SCOWRMGRYRNIOX-HIFRSBDPSA-N 1 2 224.307 3.224 20 0 BGADLO Cc1nc(NC[C@@H](C)Cc2cccs2)cc[nH+]1 ZINC000078378069 344855081 /nfs/dbraw/zinc/85/50/81/344855081.db2.gz WBDFQSMNKIMIPT-JTQLQIEISA-N 1 2 247.367 3.137 20 0 BGADLO Cc1nc(NC[C@H](C)Cc2cccs2)cc[nH+]1 ZINC000078378074 344855041 /nfs/dbraw/zinc/85/50/41/344855041.db2.gz WBDFQSMNKIMIPT-SNVBAGLBSA-N 1 2 247.367 3.137 20 0 BGADLO C[C@H](CNc1cccc[nH+]1)Cc1cccs1 ZINC000078378144 344854929 /nfs/dbraw/zinc/85/49/29/344854929.db2.gz NQXLUZVPKXSCCA-NSHDSACASA-N 1 2 232.352 3.434 20 0 BGADLO C[C@@H](CNc1cccc[nH+]1)Cc1cccs1 ZINC000078378145 344854977 /nfs/dbraw/zinc/85/49/77/344854977.db2.gz NQXLUZVPKXSCCA-LLVKDONJSA-N 1 2 232.352 3.434 20 0 BGADLO Cc1nc(N[C@@H]2CCC[C@H](C3CC3)C2)cc[nH+]1 ZINC000078379088 344854954 /nfs/dbraw/zinc/85/49/54/344854954.db2.gz GJQJCOGLXIEVDX-QWHCGFSZSA-N 1 2 231.343 3.166 20 0 BGADLO CC(C)CCn1c[nH+]c2cc(F)c(F)cc21 ZINC000078387019 534991244 /nfs/dbraw/zinc/99/12/44/534991244.db2.gz ITYQQRTWZQSANG-UHFFFAOYSA-N 1 2 224.254 3.361 20 0 BGADLO Cc1ccsc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000078405644 325417031 /nfs/dbraw/zinc/41/70/31/325417031.db2.gz IDMRLZFXNGPAER-UHFFFAOYSA-N 1 2 232.308 3.012 20 0 BGADLO COc1cccc(F)c1[C@H](C)Nc1cccc[nH+]1 ZINC000078421059 344864621 /nfs/dbraw/zinc/86/46/21/344864621.db2.gz VGOFZIFYUXGFMW-JTQLQIEISA-N 1 2 246.285 3.402 20 0 BGADLO COc1cccc(F)c1[C@@H](C)Nc1cccc[nH+]1 ZINC000078421063 344864687 /nfs/dbraw/zinc/86/46/87/344864687.db2.gz VGOFZIFYUXGFMW-SNVBAGLBSA-N 1 2 246.285 3.402 20 0 BGADLO Cc1cccc(O[C@@H](C)CNc2cccc[nH+]2)c1 ZINC000078424676 344096848 /nfs/dbraw/zinc/09/68/48/344096848.db2.gz SDHFBSCHEDZKTO-ZDUSSCGKSA-N 1 2 242.322 3.269 20 0 BGADLO Cc1cccc(O[C@H](C)CNc2cccc[nH+]2)c1 ZINC000078424679 344865473 /nfs/dbraw/zinc/86/54/73/344865473.db2.gz SDHFBSCHEDZKTO-CYBMUJFWSA-N 1 2 242.322 3.269 20 0 BGADLO COc1ccc([C@@H](C)Nc2cccc[nH+]2)cc1F ZINC000078435285 359327136 /nfs/dbraw/zinc/32/71/36/359327136.db2.gz RXUMPFIRRBCSRS-SNVBAGLBSA-N 1 2 246.285 3.402 20 0 BGADLO C[C@@H](CNc1cccc[nH+]1)Oc1cccc(F)c1 ZINC000078457310 344870863 /nfs/dbraw/zinc/87/08/63/344870863.db2.gz DCICITNEHDKYNJ-NSHDSACASA-N 1 2 246.285 3.100 20 0 BGADLO C[C@H](CNc1cccc[nH+]1)Oc1cccc(F)c1 ZINC000078457314 344870925 /nfs/dbraw/zinc/87/09/25/344870925.db2.gz DCICITNEHDKYNJ-LLVKDONJSA-N 1 2 246.285 3.100 20 0 BGADLO CCn1cc[nH+]c1CN1C[C@H](C)c2ccccc21 ZINC000078467502 135124878 /nfs/dbraw/zinc/12/48/78/135124878.db2.gz IMWAAVJWSRWDPR-LBPRGKRZSA-N 1 2 241.338 3.027 20 0 BGADLO CCn1cc[nH+]c1CN1C[C@@H](C)c2ccccc21 ZINC000078467509 135124796 /nfs/dbraw/zinc/12/47/96/135124796.db2.gz IMWAAVJWSRWDPR-GFCCVEGCSA-N 1 2 241.338 3.027 20 0 BGADLO Cc1ccc(O[C@@H](C)CNc2cccc[nH+]2)cc1 ZINC000078470517 344871916 /nfs/dbraw/zinc/87/19/16/344871916.db2.gz MARJRJUUIUBKDQ-ZDUSSCGKSA-N 1 2 242.322 3.269 20 0 BGADLO Cc1ccc(O[C@H](C)CNc2cccc[nH+]2)cc1 ZINC000078470524 344871793 /nfs/dbraw/zinc/87/17/93/344871793.db2.gz MARJRJUUIUBKDQ-CYBMUJFWSA-N 1 2 242.322 3.269 20 0 BGADLO Cc1cccc(F)c1CNc1cccc[nH+]1 ZINC000078473324 641927000 /nfs/dbraw/zinc/92/70/00/641927000.db2.gz ZFINOWJRRRHCJB-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO C[C@@H](CNc1cccc[nH+]1)Oc1ccc(F)cc1 ZINC000078474338 398336665 /nfs/dbraw/zinc/33/66/65/398336665.db2.gz CWHSKSTVGWTRAF-NSHDSACASA-N 1 2 246.285 3.100 20 0 BGADLO C[C@H](CNc1cccc[nH+]1)Oc1ccc(F)cc1 ZINC000078474340 398336515 /nfs/dbraw/zinc/33/65/15/398336515.db2.gz CWHSKSTVGWTRAF-LLVKDONJSA-N 1 2 246.285 3.100 20 0 BGADLO CC[C@]1(C)CCCN(c2cccc[nH+]2)C1 ZINC000078559308 344882391 /nfs/dbraw/zinc/88/23/91/344882391.db2.gz RMWIOQQNLPMSHO-CYBMUJFWSA-N 1 2 204.317 3.098 20 0 BGADLO CC[C@@]1(C)CCCN(c2cccc[nH+]2)C1 ZINC000078559310 344882422 /nfs/dbraw/zinc/88/24/22/344882422.db2.gz RMWIOQQNLPMSHO-ZDUSSCGKSA-N 1 2 204.317 3.098 20 0 BGADLO CCO[C@@H]1C[C@H](Nc2cccc[nH+]2)C12CCCC2 ZINC000078584905 344886896 /nfs/dbraw/zinc/88/68/96/344886896.db2.gz VYLJXUGHIWJSDS-QWHCGFSZSA-N 1 2 246.354 3.231 20 0 BGADLO CCO[C@H]1C[C@H](Nc2cccc[nH+]2)C12CCCC2 ZINC000078584907 344886859 /nfs/dbraw/zinc/88/68/59/344886859.db2.gz VYLJXUGHIWJSDS-STQMWFEESA-N 1 2 246.354 3.231 20 0 BGADLO CCO[C@@H]1C[C@@H](Nc2cccc[nH+]2)C12CCCC2 ZINC000078584910 344886521 /nfs/dbraw/zinc/88/65/21/344886521.db2.gz VYLJXUGHIWJSDS-CHWSQXEVSA-N 1 2 246.354 3.231 20 0 BGADLO CCO[C@H]1C[C@@H](Nc2cccc[nH+]2)C12CCCC2 ZINC000078584915 344886852 /nfs/dbraw/zinc/88/68/52/344886852.db2.gz VYLJXUGHIWJSDS-OLZOCXBDSA-N 1 2 246.354 3.231 20 0 BGADLO FC(F)(F)c1cc[nH+]c(NCc2ccco2)c1 ZINC000078591870 135130711 /nfs/dbraw/zinc/13/07/11/135130711.db2.gz UOQFAPCYHOJOMV-UHFFFAOYSA-N 1 2 242.200 3.306 20 0 BGADLO FC(F)(F)c1cc[nH+]c(NC2CCCC2)c1 ZINC000078591873 135130762 /nfs/dbraw/zinc/13/07/62/135130762.db2.gz VNJYUPPLVQAVOZ-UHFFFAOYSA-N 1 2 230.233 3.455 20 0 BGADLO C[C@@H]1c2ccsc2CCN1c1cccc[nH+]1 ZINC000078596710 344888990 /nfs/dbraw/zinc/88/89/90/344888990.db2.gz AJJNYUYLNVTZAS-SNVBAGLBSA-N 1 2 230.336 3.267 20 0 BGADLO C[C@H]1c2ccsc2CCN1c1cccc[nH+]1 ZINC000078596712 344888464 /nfs/dbraw/zinc/88/84/64/344888464.db2.gz AJJNYUYLNVTZAS-JTQLQIEISA-N 1 2 230.336 3.267 20 0 BGADLO CCc1cc(NCCc2ccccc2C)nc[nH+]1 ZINC000078597863 537955012 /nfs/dbraw/zinc/95/50/12/537955012.db2.gz GNUWFURGMORBOV-UHFFFAOYSA-N 1 2 241.338 3.002 20 0 BGADLO CCC[C@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000078690780 344897564 /nfs/dbraw/zinc/89/75/64/344897564.db2.gz YDXYVBZQFMQDNX-CQSZACIVSA-N 1 2 233.359 3.192 20 0 BGADLO CCC[C@@]1(C)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000078690782 344897414 /nfs/dbraw/zinc/89/74/14/344897414.db2.gz YDXYVBZQFMQDNX-AWEZNQCLSA-N 1 2 233.359 3.192 20 0 BGADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2)n1 ZINC000079323947 370645180 /nfs/dbraw/zinc/64/51/80/370645180.db2.gz VWFGDSUVIJIMOC-MNOVXSKESA-N 1 2 245.326 3.098 20 0 BGADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)n1 ZINC000079323951 370645370 /nfs/dbraw/zinc/64/53/70/370645370.db2.gz VWFGDSUVIJIMOC-QWRGUYRKSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)n1 ZINC000079323956 370645433 /nfs/dbraw/zinc/64/54/33/370645433.db2.gz VWFGDSUVIJIMOC-GHMZBOCLSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)n1 ZINC000079323959 370645198 /nfs/dbraw/zinc/64/51/98/370645198.db2.gz VWFGDSUVIJIMOC-WDEREUQCSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1ccc(SCc2[nH+]ccn2C)c(C)c1 ZINC000079650308 345009940 /nfs/dbraw/zinc/00/99/40/345009940.db2.gz DTJKUPBMERKZML-UHFFFAOYSA-N 1 2 232.352 3.329 20 0 BGADLO CCc1cc(NC2CCC(C)(C)CC2)nc[nH+]1 ZINC000079679918 370685528 /nfs/dbraw/zinc/68/55/28/370685528.db2.gz ABRAXAGFMXTRGV-UHFFFAOYSA-N 1 2 233.359 3.420 20 0 BGADLO CC[C@@H](COC)Nc1ccc([NH+]2CCCC2)cc1 ZINC000079711405 387954696 /nfs/dbraw/zinc/95/46/96/387954696.db2.gz QVAPCXMIACCFET-ZDUSSCGKSA-N 1 2 248.370 3.124 20 0 BGADLO CC[C@H](COC)Nc1ccc([NH+]2CCCC2)cc1 ZINC000079711410 387955304 /nfs/dbraw/zinc/95/53/04/387955304.db2.gz QVAPCXMIACCFET-CYBMUJFWSA-N 1 2 248.370 3.124 20 0 BGADLO CC[C@@H](COC)Nc1ccc2ccccc2[nH+]1 ZINC000079745188 384511456 /nfs/dbraw/zinc/51/14/56/384511456.db2.gz YKSXBEGEENQFGI-LBPRGKRZSA-N 1 2 230.311 3.072 20 0 BGADLO CC[C@H](COC)Nc1ccc2ccccc2[nH+]1 ZINC000079745190 384510639 /nfs/dbraw/zinc/51/06/39/384510639.db2.gz YKSXBEGEENQFGI-GFCCVEGCSA-N 1 2 230.311 3.072 20 0 BGADLO COc1ccc(CCCNc2cccc[nH+]2)cc1 ZINC000079859817 345047313 /nfs/dbraw/zinc/04/73/13/345047313.db2.gz QHCIZZJKQQZKNX-UHFFFAOYSA-N 1 2 242.322 3.135 20 0 BGADLO Fc1ccc(C2(CNc3cccc[nH+]3)CC2)cc1 ZINC000079934458 345060490 /nfs/dbraw/zinc/06/04/90/345060490.db2.gz YOKRPJRSOSFPTI-UHFFFAOYSA-N 1 2 242.297 3.364 20 0 BGADLO Cc1cc(N[C@H]2CC=CCC2)nc(C(C)C)[nH+]1 ZINC000080119779 178188602 /nfs/dbraw/zinc/18/86/02/178188602.db2.gz YMFUCBHQUSKRIY-LBPRGKRZSA-N 1 2 231.343 3.429 20 0 BGADLO Cc1cc(N[C@@H]2CC=CCC2)nc(C(C)C)[nH+]1 ZINC000080119786 178180277 /nfs/dbraw/zinc/18/02/77/178180277.db2.gz YMFUCBHQUSKRIY-GFCCVEGCSA-N 1 2 231.343 3.429 20 0 BGADLO CCCCOc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000080195607 344124753 /nfs/dbraw/zinc/12/47/53/344124753.db2.gz GGEGJJWARHGYCM-UHFFFAOYSA-N 1 2 245.326 3.201 20 0 BGADLO CC[C@@H](C)Oc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000080195850 384535615 /nfs/dbraw/zinc/53/56/15/384535615.db2.gz CXGRMZGFWLYVSS-LLVKDONJSA-N 1 2 245.326 3.199 20 0 BGADLO CC[C@H](C)Oc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000080195854 171356174 /nfs/dbraw/zinc/35/61/74/171356174.db2.gz CXGRMZGFWLYVSS-NSHDSACASA-N 1 2 245.326 3.199 20 0 BGADLO Cc1cc(F)cc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000080220794 345122752 /nfs/dbraw/zinc/12/27/52/345122752.db2.gz RIZMZUFMEMNMIS-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO c1ccc(N2CCSC3(CCCCC3)C2)[nH+]c1 ZINC000080247458 345126453 /nfs/dbraw/zinc/12/64/53/345126453.db2.gz GQPIFPYBJXVHRD-UHFFFAOYSA-N 1 2 248.395 3.338 20 0 BGADLO Cc1ccc(C[C@@H](C)Nc2cc(C)[nH+]cn2)s1 ZINC000080249300 178186584 /nfs/dbraw/zinc/18/65/84/178186584.db2.gz HTSJULDHRZKALV-SNVBAGLBSA-N 1 2 247.367 3.198 20 0 BGADLO Cc1ccc(C[C@H](C)Nc2cc(C)[nH+]cn2)s1 ZINC000080249306 178178290 /nfs/dbraw/zinc/17/82/90/178178290.db2.gz HTSJULDHRZKALV-JTQLQIEISA-N 1 2 247.367 3.198 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1nccs1 ZINC000080257608 387985192 /nfs/dbraw/zinc/98/51/92/387985192.db2.gz XUWQPOZZEGXGEZ-QWRGUYRKSA-N 1 2 247.367 3.340 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1nccs1 ZINC000080257615 387985853 /nfs/dbraw/zinc/98/58/53/387985853.db2.gz XUWQPOZZEGXGEZ-WDEREUQCSA-N 1 2 247.367 3.340 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1ccccn1)c1nccs1 ZINC000080257622 387985414 /nfs/dbraw/zinc/98/54/14/387985414.db2.gz XUWQPOZZEGXGEZ-MNOVXSKESA-N 1 2 247.367 3.340 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1ccccn1)c1nccs1 ZINC000080257627 387984998 /nfs/dbraw/zinc/98/49/98/387984998.db2.gz XUWQPOZZEGXGEZ-GHMZBOCLSA-N 1 2 247.367 3.340 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1nccs1 ZINC000080267926 388556148 /nfs/dbraw/zinc/55/61/48/388556148.db2.gz TZLDFFYWPDUPDV-UWVGGRQHSA-N 1 2 248.351 3.261 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1cccc(O)c1 ZINC000080267929 388556160 /nfs/dbraw/zinc/55/61/60/388556160.db2.gz TZLDFFYWPDUPDV-ZJUUUORDSA-N 1 2 248.351 3.261 20 0 BGADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)n1 ZINC000080270634 387985077 /nfs/dbraw/zinc/98/50/77/387985077.db2.gz FVTGRICDPYUPAW-WDEREUQCSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccccn2)n1 ZINC000080270638 387985587 /nfs/dbraw/zinc/98/55/87/387985587.db2.gz FVTGRICDPYUPAW-QWRGUYRKSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2ccccn2)n1 ZINC000080270642 387985063 /nfs/dbraw/zinc/98/50/63/387985063.db2.gz FVTGRICDPYUPAW-GHMZBOCLSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1csc([C@H](C)[NH2+][C@H](C)c2ccccn2)n1 ZINC000080270646 387985624 /nfs/dbraw/zinc/98/56/24/387985624.db2.gz FVTGRICDPYUPAW-MNOVXSKESA-N 1 2 247.367 3.258 20 0 BGADLO CCc1cc(N[C@@H](CC)c2nccs2)nc[nH+]1 ZINC000080317317 370748114 /nfs/dbraw/zinc/74/81/14/370748114.db2.gz KCTQKDOTPHEIEF-JTQLQIEISA-N 1 2 248.355 3.059 20 0 BGADLO CCc1cc(N[C@H](CC)c2nccs2)nc[nH+]1 ZINC000080317321 370747864 /nfs/dbraw/zinc/74/78/64/370747864.db2.gz KCTQKDOTPHEIEF-SNVBAGLBSA-N 1 2 248.355 3.059 20 0 BGADLO Cc1cnc(C(C)(C)[NH2+]Cc2ccco2)s1 ZINC000080346139 384547677 /nfs/dbraw/zinc/54/76/77/384547677.db2.gz ZMWDOEHOWWOMJI-UHFFFAOYSA-N 1 2 236.340 3.069 20 0 BGADLO Cc1cc[nH+]cc1NCc1cccc2[nH]ccc21 ZINC000080354826 387988586 /nfs/dbraw/zinc/98/85/86/387988586.db2.gz CIWRMBDRVDYUBL-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO COc1ccc([NH2+][C@H]2CC[C@@H](C)C2)c(OC)c1 ZINC000080425734 636862077 /nfs/dbraw/zinc/86/20/77/636862077.db2.gz WVZDJFIUBIOEBT-MNOVXSKESA-N 1 2 235.327 3.304 20 0 BGADLO COc1ccc([NH2+][C@H]2CC[C@H](C)C2)c(OC)c1 ZINC000080425740 636861706 /nfs/dbraw/zinc/86/17/06/636861706.db2.gz WVZDJFIUBIOEBT-QWRGUYRKSA-N 1 2 235.327 3.304 20 0 BGADLO COc1ccc([NH2+][C@@H]2CC[C@@H](C)C2)c(OC)c1 ZINC000080425743 636862062 /nfs/dbraw/zinc/86/20/62/636862062.db2.gz WVZDJFIUBIOEBT-GHMZBOCLSA-N 1 2 235.327 3.304 20 0 BGADLO COc1ccc([NH2+][C@@H]2CC[C@H](C)C2)c(OC)c1 ZINC000080425746 636861007 /nfs/dbraw/zinc/86/10/07/636861007.db2.gz WVZDJFIUBIOEBT-WDEREUQCSA-N 1 2 235.327 3.304 20 0 BGADLO C[C@@H]1CC[C@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000080431460 387992222 /nfs/dbraw/zinc/99/22/22/387992222.db2.gz CINGYITYZULRBN-OCCSQVGLSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@H]1CC[C@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000080431465 387991810 /nfs/dbraw/zinc/99/18/10/387991810.db2.gz CINGYITYZULRBN-JSGCOSHPSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@@H]1CC[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000080431472 387992974 /nfs/dbraw/zinc/99/29/74/387992974.db2.gz CINGYITYZULRBN-TZMCWYRMSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@H]1CC[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000080431476 387991877 /nfs/dbraw/zinc/99/18/77/387991877.db2.gz CINGYITYZULRBN-GXTWGEPZSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@@H]1CC[C@H]([NH2+]c2ccc(-n3cccn3)cc2)C1 ZINC000080433094 388558882 /nfs/dbraw/zinc/55/88/82/388558882.db2.gz HEEFYYSNAGRLFW-OCCSQVGLSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@H]1CC[C@H]([NH2+]c2ccc(-n3cccn3)cc2)C1 ZINC000080433099 325480952 /nfs/dbraw/zinc/48/09/52/325480952.db2.gz HEEFYYSNAGRLFW-JSGCOSHPSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@@H]1CC[C@@H]([NH2+]c2ccc(-n3cccn3)cc2)C1 ZINC000080433106 388558200 /nfs/dbraw/zinc/55/82/00/388558200.db2.gz HEEFYYSNAGRLFW-TZMCWYRMSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@H]1CC[C@@H]([NH2+]c2ccc(-n3cccn3)cc2)C1 ZINC000080433111 325480816 /nfs/dbraw/zinc/48/08/16/325480816.db2.gz HEEFYYSNAGRLFW-GXTWGEPZSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@@H]1CC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000080433318 388558065 /nfs/dbraw/zinc/55/80/65/388558065.db2.gz ONOBSPNSFDYRDU-OLZOCXBDSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H]1CC[C@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000080433322 388558481 /nfs/dbraw/zinc/55/84/81/388558481.db2.gz ONOBSPNSFDYRDU-STQMWFEESA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H]1CC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000080433325 388558321 /nfs/dbraw/zinc/55/83/21/388558321.db2.gz ONOBSPNSFDYRDU-CHWSQXEVSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H]1CC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000080433332 388558611 /nfs/dbraw/zinc/55/86/11/388558611.db2.gz ONOBSPNSFDYRDU-QWHCGFSZSA-N 1 2 245.370 3.282 20 0 BGADLO CCOc1ccc([NH2+][C@@H]2CC[C@H](C)C2)cc1CO ZINC000080459243 387992496 /nfs/dbraw/zinc/99/24/96/387992496.db2.gz RZDBFYGHNWGWBL-WCQYABFASA-N 1 2 249.354 3.178 20 0 BGADLO CCOc1ccc([NH2+][C@H]2CC[C@H](C)C2)cc1CO ZINC000080459245 170554446 /nfs/dbraw/zinc/55/44/46/170554446.db2.gz RZDBFYGHNWGWBL-AAEUAGOBSA-N 1 2 249.354 3.178 20 0 BGADLO CCOc1ccc([NH2+][C@@H]2CC[C@@H](C)C2)cc1CO ZINC000080459248 387992876 /nfs/dbraw/zinc/99/28/76/387992876.db2.gz RZDBFYGHNWGWBL-DGCLKSJQSA-N 1 2 249.354 3.178 20 0 BGADLO CCOc1ccc([NH2+][C@H]2CC[C@@H](C)C2)cc1CO ZINC000080459252 387992014 /nfs/dbraw/zinc/99/20/14/387992014.db2.gz RZDBFYGHNWGWBL-YPMHNXCESA-N 1 2 249.354 3.178 20 0 BGADLO c1ccc([NH+](CC2CC2)CC2CC2)cc1 ZINC000080582891 364506115 /nfs/dbraw/zinc/50/61/15/364506115.db2.gz ZWONRAVJUIUQKW-UHFFFAOYSA-N 1 2 201.313 3.313 20 0 BGADLO CN(Cc1cc2ccccc2o1)c1cccc[nH+]1 ZINC000080678781 353389017 /nfs/dbraw/zinc/38/90/17/353389017.db2.gz LGPLLCOFZWELFM-UHFFFAOYSA-N 1 2 238.290 3.464 20 0 BGADLO Cc1cc(N2C[C@H](C)CC2(C)C)nc(C2CC2)[nH+]1 ZINC000080684498 345430405 /nfs/dbraw/zinc/43/04/05/345430405.db2.gz CWPQJJGBFDQYEZ-SNVBAGLBSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2C[C@@H](C)CC2(C)C)nc(C2CC2)[nH+]1 ZINC000080684501 345430677 /nfs/dbraw/zinc/43/06/77/345430677.db2.gz CWPQJJGBFDQYEZ-JTQLQIEISA-N 1 2 245.370 3.287 20 0 BGADLO Cc1nc2[nH]ccc2c(N(C)C2CCCCC2)[nH+]1 ZINC000080761601 345449184 /nfs/dbraw/zinc/44/91/84/345449184.db2.gz RONNJUQKEJRUDI-UHFFFAOYSA-N 1 2 244.342 3.035 20 0 BGADLO CC(C)(C)c1nc(NCc2cccs2)cc[nH+]1 ZINC000080762991 345449729 /nfs/dbraw/zinc/44/97/29/345449729.db2.gz FZXIFBWHKBAAAW-UHFFFAOYSA-N 1 2 247.367 3.448 20 0 BGADLO CC(C)(C)c1nc(NC2CCCC2)cc[nH+]1 ZINC000080774001 491096886 /nfs/dbraw/zinc/09/68/86/491096886.db2.gz QKWRQDKULXAGIL-UHFFFAOYSA-N 1 2 219.332 3.129 20 0 BGADLO CC[C@@H]1CCCCN1c1[nH+]c(C)nc2[nH]ccc21 ZINC000080944598 345453866 /nfs/dbraw/zinc/45/38/66/345453866.db2.gz OLGHOJHNWUMUFF-LLVKDONJSA-N 1 2 244.342 3.035 20 0 BGADLO CC[C@H]1CCCCN1c1[nH+]c(C)nc2[nH]ccc21 ZINC000080944603 345454181 /nfs/dbraw/zinc/45/41/81/345454181.db2.gz OLGHOJHNWUMUFF-NSHDSACASA-N 1 2 244.342 3.035 20 0 BGADLO Cc1ccc(CCNc2ccc(Cl)cn2)c[nH+]1 ZINC000080981752 345457949 /nfs/dbraw/zinc/45/79/49/345457949.db2.gz SNFZNAVISYXCOY-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO Cc1nc2[nH]ccc2c(N2CCCCC[C@@H]2C)[nH+]1 ZINC000080986739 359588771 /nfs/dbraw/zinc/58/87/71/359588771.db2.gz DNHCNZIFVLQMHH-JTQLQIEISA-N 1 2 244.342 3.035 20 0 BGADLO Cc1nc2[nH]ccc2c(N2CCCCC[C@H]2C)[nH+]1 ZINC000080986741 345458108 /nfs/dbraw/zinc/45/81/08/345458108.db2.gz DNHCNZIFVLQMHH-SNVBAGLBSA-N 1 2 244.342 3.035 20 0 BGADLO Cc1cccc(Nc2[nH+]cnc3[nH]ccc32)c1 ZINC000081145032 135386676 /nfs/dbraw/zinc/38/66/76/135386676.db2.gz AQJMPQUAYYFZGY-UHFFFAOYSA-N 1 2 224.267 3.010 20 0 BGADLO c1ccc2c(c1)CCCC[N@@H+]2CC1CCOCC1 ZINC000081157060 388568748 /nfs/dbraw/zinc/56/87/48/388568748.db2.gz LAZNQOLKVQHCRF-UHFFFAOYSA-N 1 2 245.366 3.256 20 0 BGADLO c1ccc2c(c1)CCCC[N@H+]2CC1CCOCC1 ZINC000081157060 388568746 /nfs/dbraw/zinc/56/87/46/388568746.db2.gz LAZNQOLKVQHCRF-UHFFFAOYSA-N 1 2 245.366 3.256 20 0 BGADLO CC(C)c1nc(C[N@H+]2CCC23CCC3)cs1 ZINC000081515931 345482187 /nfs/dbraw/zinc/48/21/87/345482187.db2.gz SWHOQVJKWWROSA-UHFFFAOYSA-N 1 2 236.384 3.395 20 0 BGADLO CC(C)c1nc(C[N@@H+]2CCC23CCC3)cs1 ZINC000081515931 345482185 /nfs/dbraw/zinc/48/21/85/345482185.db2.gz SWHOQVJKWWROSA-UHFFFAOYSA-N 1 2 236.384 3.395 20 0 BGADLO Cc1cnc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000081573253 135387675 /nfs/dbraw/zinc/38/76/75/135387675.db2.gz MPWAJKIQGIKHOS-XHDPSFHLSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cnc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)o1 ZINC000081573253 135387674 /nfs/dbraw/zinc/38/76/74/135387674.db2.gz MPWAJKIQGIKHOS-XHDPSFHLSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000081573254 135386996 /nfs/dbraw/zinc/38/69/96/135386996.db2.gz MPWAJKIQGIKHOS-IAQYHMDHSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cnc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)o1 ZINC000081573254 135386994 /nfs/dbraw/zinc/38/69/94/135386994.db2.gz MPWAJKIQGIKHOS-IAQYHMDHSA-N 1 2 242.322 3.176 20 0 BGADLO Clc1ccc([C@@H]2CC[N@H+]2Cc2ccno2)cc1 ZINC000081604953 345486613 /nfs/dbraw/zinc/48/66/13/345486613.db2.gz MIBRHNKNACMYET-ZDUSSCGKSA-N 1 2 248.713 3.275 20 0 BGADLO Clc1ccc([C@@H]2CC[N@@H+]2Cc2ccno2)cc1 ZINC000081604953 345486611 /nfs/dbraw/zinc/48/66/11/345486611.db2.gz MIBRHNKNACMYET-ZDUSSCGKSA-N 1 2 248.713 3.275 20 0 BGADLO Clc1ccc([C@H]2CC[N@H+]2Cc2ccno2)cc1 ZINC000081604958 345486540 /nfs/dbraw/zinc/48/65/40/345486540.db2.gz MIBRHNKNACMYET-CYBMUJFWSA-N 1 2 248.713 3.275 20 0 BGADLO Clc1ccc([C@H]2CC[N@@H+]2Cc2ccno2)cc1 ZINC000081604958 345486537 /nfs/dbraw/zinc/48/65/37/345486537.db2.gz MIBRHNKNACMYET-CYBMUJFWSA-N 1 2 248.713 3.275 20 0 BGADLO Cc1csc(C[N@H+]2CCc3ccccc3C2)n1 ZINC000081642978 398270502 /nfs/dbraw/zinc/27/05/02/398270502.db2.gz BJMXFHWZGQTHOR-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1csc(C[N@@H+]2CCc3ccccc3C2)n1 ZINC000081642978 398270501 /nfs/dbraw/zinc/27/05/01/398270501.db2.gz BJMXFHWZGQTHOR-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO c1cc(OCc2ccc3c(c2)CCC3)cc[nH+]1 ZINC000082038833 345496594 /nfs/dbraw/zinc/49/65/94/345496594.db2.gz AOUCQVLWQDQEPH-UHFFFAOYSA-N 1 2 225.291 3.149 20 0 BGADLO Cc1cc(C)cc(Nc2[nH+]cnc3[nH]ccc32)c1 ZINC000082359114 388032144 /nfs/dbraw/zinc/03/21/44/388032144.db2.gz OCMRKKIEYMEUCW-UHFFFAOYSA-N 1 2 238.294 3.318 20 0 BGADLO CCc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1 ZINC000082359124 370989006 /nfs/dbraw/zinc/98/90/06/370989006.db2.gz PLVBQFXPSUWWIN-UHFFFAOYSA-N 1 2 238.294 3.264 20 0 BGADLO CC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000082432349 384683542 /nfs/dbraw/zinc/68/35/42/384683542.db2.gz LDASQJMGYZRNOX-UHFFFAOYSA-N 1 2 234.730 3.199 20 0 BGADLO CC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000082432349 384683536 /nfs/dbraw/zinc/68/35/36/384683536.db2.gz LDASQJMGYZRNOX-UHFFFAOYSA-N 1 2 234.730 3.199 20 0 BGADLO COc1cc([NH2+]CCCC(C)C)ccc1N ZINC000082523730 643334022 /nfs/dbraw/zinc/33/40/22/643334022.db2.gz AANBIAIQTKNWHE-UHFFFAOYSA-N 1 2 222.332 3.126 20 0 BGADLO CCc1cc(NCC2(C)CCCC2)nc[nH+]1 ZINC000082625597 345544253 /nfs/dbraw/zinc/54/42/53/345544253.db2.gz UPFTXUZVTNRTQQ-UHFFFAOYSA-N 1 2 219.332 3.031 20 0 BGADLO CCc1cc(NCc2sccc2C)nc[nH+]1 ZINC000082699125 371027809 /nfs/dbraw/zinc/02/78/09/371027809.db2.gz IQYABYJISYYCAX-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO COc1ccc([C@H](C)Nc2cccc[nH+]2)cc1 ZINC000082712275 175190215 /nfs/dbraw/zinc/19/02/15/175190215.db2.gz DDPIRDCYDRQSRA-NSHDSACASA-N 1 2 228.295 3.263 20 0 BGADLO COc1ccc([C@@H](C)Nc2cccc[nH+]2)cc1 ZINC000082712276 175177742 /nfs/dbraw/zinc/17/77/42/175177742.db2.gz DDPIRDCYDRQSRA-LLVKDONJSA-N 1 2 228.295 3.263 20 0 BGADLO C[C@H]([NH2+]Cc1ccon1)c1ccccc1Cl ZINC000082730524 384708632 /nfs/dbraw/zinc/70/86/32/384708632.db2.gz JATRNXHGSSBZQT-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO C[C@@H]([NH2+]Cc1ccon1)c1ccccc1Cl ZINC000082730525 384708258 /nfs/dbraw/zinc/70/82/58/384708258.db2.gz JATRNXHGSSBZQT-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO CC(C)CNc1[nH]c2cc(Cl)ccc2[nH+]1 ZINC000082741444 636416495 /nfs/dbraw/zinc/41/64/95/636416495.db2.gz XHLPWBFOVDQVRP-UHFFFAOYSA-N 1 2 223.707 3.284 20 0 BGADLO CC(C)CNc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000082741444 636416484 /nfs/dbraw/zinc/41/64/84/636416484.db2.gz XHLPWBFOVDQVRP-UHFFFAOYSA-N 1 2 223.707 3.284 20 0 BGADLO CC1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000082753965 487725242 /nfs/dbraw/zinc/72/52/42/487725242.db2.gz GUTHLOQCADNKBP-UHFFFAOYSA-N 1 2 241.338 3.053 20 0 BGADLO Nc1cccc2c1cc[nH+]c2N1CCCCCC1 ZINC000082753966 487725574 /nfs/dbraw/zinc/72/55/74/487725574.db2.gz TZHFEKYNWJXWPY-UHFFFAOYSA-N 1 2 241.338 3.197 20 0 BGADLO C[C@@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000082753967 487725289 /nfs/dbraw/zinc/72/52/89/487725289.db2.gz AUKUQOOQXCBAAF-LLVKDONJSA-N 1 2 241.338 3.053 20 0 BGADLO C[C@H]1CCCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000082753968 487725611 /nfs/dbraw/zinc/72/56/11/487725611.db2.gz AUKUQOOQXCBAAF-NSHDSACASA-N 1 2 241.338 3.053 20 0 BGADLO C[C@@H]1CC(Nc2cccc[nH+]2)C[C@@H](C)C1 ZINC000082829016 384270984 /nfs/dbraw/zinc/27/09/84/384270984.db2.gz UFIMLRTWEIBJGV-QWRGUYRKSA-N 1 2 204.317 3.318 20 0 BGADLO C[C@H]1CC(Nc2cccc[nH+]2)C[C@H](C)C1 ZINC000082829017 384270184 /nfs/dbraw/zinc/27/01/84/384270184.db2.gz UFIMLRTWEIBJGV-GHMZBOCLSA-N 1 2 204.317 3.318 20 0 BGADLO Cc1cc(NC2C[C@@H](C)C[C@H](C)C2)nc[nH+]1 ZINC000082829022 388041776 /nfs/dbraw/zinc/04/17/76/388041776.db2.gz WTRFRUDJCJYQIL-UWVGGRQHSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(NC2C[C@H](C)C[C@@H](C)C2)nc[nH+]1 ZINC000082829023 388041963 /nfs/dbraw/zinc/04/19/63/388041963.db2.gz WTRFRUDJCJYQIL-NXEZZACHSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(NC2C[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000082835257 388041811 /nfs/dbraw/zinc/04/18/11/388041811.db2.gz WPQUXAXNGBHHLX-UWVGGRQHSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(NC2C[C@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000082835258 388042036 /nfs/dbraw/zinc/04/20/36/388042036.db2.gz WPQUXAXNGBHHLX-NXEZZACHSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@H](C)[C@H](C)C2)cc[nH+]1 ZINC000082846774 388042045 /nfs/dbraw/zinc/04/20/45/388042045.db2.gz HPCFALOTAJNCKG-HOSYDEDBSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)cc[nH+]1 ZINC000082846777 388041717 /nfs/dbraw/zinc/04/17/17/388041717.db2.gz HPCFALOTAJNCKG-CKYFFXLPSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@H](C)[C@H](C)C2)nc[nH+]1 ZINC000082846866 388041373 /nfs/dbraw/zinc/04/13/73/388041373.db2.gz XFNWUMLTBASVQN-HOSYDEDBSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@@H](C)[C@H](C)C2)nc[nH+]1 ZINC000082846869 135441809 /nfs/dbraw/zinc/44/18/09/135441809.db2.gz XFNWUMLTBASVQN-CKYFFXLPSA-N 1 2 219.332 3.022 20 0 BGADLO CC[C@@H]1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000082847837 388042085 /nfs/dbraw/zinc/04/20/85/388042085.db2.gz BKZQIDUHOZUDRY-NEPJUHHUSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@H]1CCC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000082847838 388041998 /nfs/dbraw/zinc/04/19/98/388041998.db2.gz BKZQIDUHOZUDRY-RYUDHWBXSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000082847839 388041987 /nfs/dbraw/zinc/04/19/87/388041987.db2.gz BKZQIDUHOZUDRY-VXGBXAGGSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@H]1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000082847840 135441686 /nfs/dbraw/zinc/44/16/86/135441686.db2.gz BKZQIDUHOZUDRY-NWDGAFQWSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@@H]1CCC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000082847875 388043345 /nfs/dbraw/zinc/04/33/45/388043345.db2.gz IEIINLUHIANBTM-NEPJUHHUSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@H]1CCC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000082847876 388042993 /nfs/dbraw/zinc/04/29/93/388042993.db2.gz IEIINLUHIANBTM-RYUDHWBXSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@@H]1CCC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000082847877 388043060 /nfs/dbraw/zinc/04/30/60/388043060.db2.gz IEIINLUHIANBTM-VXGBXAGGSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@H]1CCC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000082847878 388042571 /nfs/dbraw/zinc/04/25/71/388042571.db2.gz IEIINLUHIANBTM-NWDGAFQWSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000082849774 343468339 /nfs/dbraw/zinc/46/83/39/343468339.db2.gz OTVFEZHJLPVMOM-NEPJUHHUSA-N 1 2 204.317 3.462 20 0 BGADLO CC[C@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000082849775 343468597 /nfs/dbraw/zinc/46/85/97/343468597.db2.gz OTVFEZHJLPVMOM-RYUDHWBXSA-N 1 2 204.317 3.462 20 0 BGADLO CC[C@@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000082849776 343468458 /nfs/dbraw/zinc/46/84/58/343468458.db2.gz OTVFEZHJLPVMOM-VXGBXAGGSA-N 1 2 204.317 3.462 20 0 BGADLO CC[C@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000082849777 343468510 /nfs/dbraw/zinc/46/85/10/343468510.db2.gz OTVFEZHJLPVMOM-NWDGAFQWSA-N 1 2 204.317 3.462 20 0 BGADLO CC[C@H](Nc1ccc([NH+](C)C)cc1)C1CC1 ZINC000083055060 631417528 /nfs/dbraw/zinc/41/75/28/631417528.db2.gz ZSVCDYYTFSKHSE-AWEZNQCLSA-N 1 2 218.344 3.353 20 0 BGADLO CC[C@H]([NH2+]c1ccc(N(C)C)cc1)C1CC1 ZINC000083055060 631417522 /nfs/dbraw/zinc/41/75/22/631417522.db2.gz ZSVCDYYTFSKHSE-AWEZNQCLSA-N 1 2 218.344 3.353 20 0 BGADLO CC[C@@H](Nc1ccc([NH+](C)C)cc1)C1CC1 ZINC000083055063 631416907 /nfs/dbraw/zinc/41/69/07/631416907.db2.gz ZSVCDYYTFSKHSE-CQSZACIVSA-N 1 2 218.344 3.353 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(N(C)C)cc1)C1CC1 ZINC000083055063 631416902 /nfs/dbraw/zinc/41/69/02/631416902.db2.gz ZSVCDYYTFSKHSE-CQSZACIVSA-N 1 2 218.344 3.353 20 0 BGADLO Cc1ccc(NCc2cccs2)c[nH+]1 ZINC000083344244 384759007 /nfs/dbraw/zinc/75/90/07/384759007.db2.gz HJYCTQRJPYMAOG-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO Cc1ccc(NCC2CCCCC2)c[nH+]1 ZINC000083344245 187284389 /nfs/dbraw/zinc/28/43/89/187284389.db2.gz BOGRZOGUVHWJFB-UHFFFAOYSA-N 1 2 204.317 3.382 20 0 BGADLO Cc1ccc(CNc2ccc(C)[nH+]c2)cc1 ZINC000083347030 384763116 /nfs/dbraw/zinc/76/31/16/384763116.db2.gz WNXOROAPHCBWCQ-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1ccc(NCc2ccccc2C)c[nH+]1 ZINC000083347032 384762475 /nfs/dbraw/zinc/76/24/75/384762475.db2.gz KVVGIAZOPVTXML-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1cccc(CNc2ccc(C)[nH+]c2)c1 ZINC000083347033 384762749 /nfs/dbraw/zinc/76/27/49/384762749.db2.gz KTTRPUBNYWZMTH-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1cc(C)cc(CNc2cccc[nH+]2)c1 ZINC000083347047 491161216 /nfs/dbraw/zinc/16/12/16/491161216.db2.gz ZZPXRGRYAGCZJT-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1ccc(NCc2ccc(F)cc2)c[nH+]1 ZINC000083348561 384763715 /nfs/dbraw/zinc/76/37/15/384763715.db2.gz XWKXZYBQZBDYJE-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1ccc(NCc2ccccc2F)c[nH+]1 ZINC000083348562 384763559 /nfs/dbraw/zinc/76/35/59/384763559.db2.gz DKYBGWHZUVPECO-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1ccc(NCc2cccc(F)c2)c[nH+]1 ZINC000083348563 178764398 /nfs/dbraw/zinc/76/43/98/178764398.db2.gz ODSAUDFYXJUSQW-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1ccc(F)cc1CNc1cccc[nH+]1 ZINC000083348576 384299281 /nfs/dbraw/zinc/29/92/81/384299281.db2.gz AUDNEXQYXJBJLM-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1ccc(CNc2ccc(C)[nH+]c2)s1 ZINC000083349491 384763634 /nfs/dbraw/zinc/76/36/34/384763634.db2.gz DMIWJHDCDKLUHU-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO c1cc2cccc(CNc3cccc[nH+]3)c2[nH]1 ZINC000083352723 388048604 /nfs/dbraw/zinc/04/86/04/388048604.db2.gz DFHDIOLUEQVEOY-UHFFFAOYSA-N 1 2 223.279 3.175 20 0 BGADLO COc1ccccc1CNc1ccc(C)[nH+]c1 ZINC000083356091 175331729 /nfs/dbraw/zinc/33/17/29/175331729.db2.gz IEHRWHHPONHAAE-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO COc1cccc(CNc2ccc(C)[nH+]c2)c1 ZINC000083356092 175268924 /nfs/dbraw/zinc/26/89/24/175268924.db2.gz NOMOLRSTRAMBDJ-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO COc1ccc(CNc2ccc(C)[nH+]c2)cc1 ZINC000083356093 187284123 /nfs/dbraw/zinc/28/41/23/187284123.db2.gz OPWKMFHNHHIPFM-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO Cc1ccc(CNc2c[nH+]ccc2C)cc1F ZINC000083357361 384761143 /nfs/dbraw/zinc/76/11/43/384761143.db2.gz ZFUASDQTZALSMI-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(F)cc1CNc1c[nH+]ccc1C ZINC000083357362 384761450 /nfs/dbraw/zinc/76/14/50/384761450.db2.gz QHDKISCAKOEOSK-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(NCc2ccc(C)c(F)c2)c[nH+]1 ZINC000083357364 384762891 /nfs/dbraw/zinc/76/28/91/384762891.db2.gz IHKLQGVEGXKPGS-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(NCc2ccc(F)c(C)c2)c[nH+]1 ZINC000083357365 384760783 /nfs/dbraw/zinc/76/07/83/384760783.db2.gz VIRULUQFRBYCNX-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(NCc2cc(F)ccc2C)c[nH+]1 ZINC000083357366 388049890 /nfs/dbraw/zinc/04/98/90/388049890.db2.gz QGFXMUJLUQWFSW-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(NCc2ccc(F)cc2C)c[nH+]1 ZINC000083357367 384763063 /nfs/dbraw/zinc/76/30/63/384763063.db2.gz URUKEEPVUBMNDE-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(NCc2ccc(F)cc2F)c[nH+]1 ZINC000083360669 491161355 /nfs/dbraw/zinc/16/13/55/491161355.db2.gz KHLDXSVJYYRLON-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1ccc(NCc2cc(F)ccc2F)c[nH+]1 ZINC000083360670 384766102 /nfs/dbraw/zinc/76/61/02/384766102.db2.gz KRYJMSUBSAJRQP-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1ccc(NCc2ccc(F)c(F)c2)c[nH+]1 ZINC000083360671 384766231 /nfs/dbraw/zinc/76/62/31/384766231.db2.gz OFCWZWRTLYJOBS-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1ccc(NCc2c(F)cccc2F)c[nH+]1 ZINC000083360672 387403903 /nfs/dbraw/zinc/40/39/03/387403903.db2.gz VJYUHRQXWLVZCH-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Fc1cc(Cl)ccc1CNc1cccc[nH+]1 ZINC000083364245 384292363 /nfs/dbraw/zinc/29/23/63/384292363.db2.gz MGHYRCMCSDMLSD-UHFFFAOYSA-N 1 2 236.677 3.486 20 0 BGADLO Fc1cc(Cl)cc(CNc2cccc[nH+]2)c1 ZINC000083364246 385960065 /nfs/dbraw/zinc/96/00/65/385960065.db2.gz PXBISUWJDVEAGR-UHFFFAOYSA-N 1 2 236.677 3.486 20 0 BGADLO Cc1cc[nH+]cc1NCc1cccc2cc[nH]c21 ZINC000083364908 384766705 /nfs/dbraw/zinc/76/67/05/384766705.db2.gz VGVWYALVYUOSQR-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO Cc1ccc(NCc2cccc3cc[nH]c32)c[nH+]1 ZINC000083364912 388049056 /nfs/dbraw/zinc/04/90/56/388049056.db2.gz SICLOCGNIFDEGY-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO Fc1cc(F)c(CNc2cccc[nH+]2)c(F)c1 ZINC000083365421 385960172 /nfs/dbraw/zinc/96/01/72/385960172.db2.gz DARQTROFTICQJP-UHFFFAOYSA-N 1 2 238.212 3.111 20 0 BGADLO CCOc1ccccc1CNc1ccc(C)[nH+]c1 ZINC000083370550 384765826 /nfs/dbraw/zinc/76/58/26/384765826.db2.gz WRWLLXDAIJSZPJ-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO CCOc1ccc(CNc2ccc(C)[nH+]c2)cc1 ZINC000083370551 388048855 /nfs/dbraw/zinc/04/88/55/388048855.db2.gz AFXHYPLDDIGGAV-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO CCOc1cccc(CNc2ccc(C)[nH+]c2)c1 ZINC000083370552 384765291 /nfs/dbraw/zinc/76/52/91/384765291.db2.gz LCESHKHLAAEIKP-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO COc1ccc(CNc2ccc(C)[nH+]c2)cc1C ZINC000083370553 322960051 /nfs/dbraw/zinc/96/00/51/322960051.db2.gz SWVQXDSNNOTIMO-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1ccc(CNc2ccc(C)[nH+]c2)cc1F ZINC000083375087 384767831 /nfs/dbraw/zinc/76/78/31/384767831.db2.gz VQUCEPMKINTEDV-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1ccc([NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000083389842 175155323 /nfs/dbraw/zinc/15/53/23/175155323.db2.gz ZDUHYPVGGIWIQX-MFKMUULPSA-N 1 2 205.301 3.296 20 0 BGADLO COc1ccc([NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000083389843 175155361 /nfs/dbraw/zinc/15/53/61/175155361.db2.gz ZDUHYPVGGIWIQX-GWCFXTLKSA-N 1 2 205.301 3.296 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000083389844 175154003 /nfs/dbraw/zinc/15/40/03/175154003.db2.gz ZDUHYPVGGIWIQX-ZWNOBZJWSA-N 1 2 205.301 3.296 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000083389845 175153745 /nfs/dbraw/zinc/15/37/45/175153745.db2.gz ZDUHYPVGGIWIQX-GXFFZTMASA-N 1 2 205.301 3.296 20 0 BGADLO C[C@@H]1CCC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000083390322 643445286 /nfs/dbraw/zinc/44/52/86/643445286.db2.gz CYZPOYXUGOALGI-RISCZKNCSA-N 1 2 218.344 3.353 20 0 BGADLO C[C@@H]1CCC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000083390322 643445283 /nfs/dbraw/zinc/44/52/83/643445283.db2.gz CYZPOYXUGOALGI-RISCZKNCSA-N 1 2 218.344 3.353 20 0 BGADLO C[C@H]1CCC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000083390323 643445696 /nfs/dbraw/zinc/44/56/96/643445696.db2.gz CYZPOYXUGOALGI-FZMZJTMJSA-N 1 2 218.344 3.353 20 0 BGADLO C[C@H]1CCC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000083390323 643445690 /nfs/dbraw/zinc/44/56/90/643445690.db2.gz CYZPOYXUGOALGI-FZMZJTMJSA-N 1 2 218.344 3.353 20 0 BGADLO C[C@@H]1CCC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000083390324 643445938 /nfs/dbraw/zinc/44/59/38/643445938.db2.gz CYZPOYXUGOALGI-BXUZGUMPSA-N 1 2 218.344 3.353 20 0 BGADLO C[C@@H]1CCC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000083390324 643445929 /nfs/dbraw/zinc/44/59/29/643445929.db2.gz CYZPOYXUGOALGI-BXUZGUMPSA-N 1 2 218.344 3.353 20 0 BGADLO C[C@H]1CCC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000083390325 643444912 /nfs/dbraw/zinc/44/49/12/643444912.db2.gz CYZPOYXUGOALGI-SMDDNHRTSA-N 1 2 218.344 3.353 20 0 BGADLO C[C@H]1CCC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000083390325 643444907 /nfs/dbraw/zinc/44/49/07/643444907.db2.gz CYZPOYXUGOALGI-SMDDNHRTSA-N 1 2 218.344 3.353 20 0 BGADLO C[C@@H]1CCC[C@H]([NH2+]CC(F)(F)F)CC1 ZINC000083426996 487909794 /nfs/dbraw/zinc/90/97/94/487909794.db2.gz NRERYTGBYOIUIO-BDAKNGLRSA-N 1 2 209.255 3.107 20 0 BGADLO C[C@H]1CCC[C@H]([NH2+]CC(F)(F)F)CC1 ZINC000083426997 487909189 /nfs/dbraw/zinc/90/91/89/487909189.db2.gz NRERYTGBYOIUIO-IUCAKERBSA-N 1 2 209.255 3.107 20 0 BGADLO C[C@@H]1CCC[C@@H]([NH2+]CC(F)(F)F)CC1 ZINC000083426998 487909929 /nfs/dbraw/zinc/90/99/29/487909929.db2.gz NRERYTGBYOIUIO-RKDXNWHRSA-N 1 2 209.255 3.107 20 0 BGADLO C[C@H]1CCC[C@@H]([NH2+]CC(F)(F)F)CC1 ZINC000083426999 487909227 /nfs/dbraw/zinc/90/92/27/487909227.db2.gz NRERYTGBYOIUIO-DTWKUNHWSA-N 1 2 209.255 3.107 20 0 BGADLO CC[C@@H]1CCC[C@H]([NH2+]CC(F)(F)F)CC1 ZINC000083434977 487911742 /nfs/dbraw/zinc/91/17/42/487911742.db2.gz XOPMISDGNPQERD-ZJUUUORDSA-N 1 2 223.282 3.497 20 0 BGADLO CC[C@H]1CCC[C@H]([NH2+]CC(F)(F)F)CC1 ZINC000083434978 487911956 /nfs/dbraw/zinc/91/19/56/487911956.db2.gz XOPMISDGNPQERD-UWVGGRQHSA-N 1 2 223.282 3.497 20 0 BGADLO CC[C@@H]1CCC[C@@H]([NH2+]CC(F)(F)F)CC1 ZINC000083434979 487911610 /nfs/dbraw/zinc/91/16/10/487911610.db2.gz XOPMISDGNPQERD-NXEZZACHSA-N 1 2 223.282 3.497 20 0 BGADLO CC[C@H]1CCC[C@@H]([NH2+]CC(F)(F)F)CC1 ZINC000083434980 487912032 /nfs/dbraw/zinc/91/20/32/487912032.db2.gz XOPMISDGNPQERD-VHSXEESVSA-N 1 2 223.282 3.497 20 0 BGADLO CC1(C)CCC[C@H]([NH2+]CC(F)(F)F)CC1 ZINC000083434981 343485430 /nfs/dbraw/zinc/48/54/30/343485430.db2.gz HXUGNOLFUZBSSW-VIFPVBQESA-N 1 2 223.282 3.497 20 0 BGADLO CC1(C)CCC[C@@H]([NH2+]CC(F)(F)F)CC1 ZINC000083434982 368776094 /nfs/dbraw/zinc/77/60/94/368776094.db2.gz HXUGNOLFUZBSSW-SECBINFHSA-N 1 2 223.282 3.497 20 0 BGADLO Cc1cc(NCC(C)(C)c2cccs2)nc[nH+]1 ZINC000083601616 388056476 /nfs/dbraw/zinc/05/64/76/388056476.db2.gz QYKKNEARLGXFSO-UHFFFAOYSA-N 1 2 247.367 3.236 20 0 BGADLO c1nc(C[NH2+]Cc2coc3ccccc23)cs1 ZINC000083601910 388056050 /nfs/dbraw/zinc/05/60/50/388056050.db2.gz WZANQHGVZRRBMK-UHFFFAOYSA-N 1 2 244.319 3.179 20 0 BGADLO Clc1ccc(Cl)c(Cn2cc[nH+]c2)c1 ZINC000083697197 180581424 /nfs/dbraw/zinc/58/14/24/180581424.db2.gz ZTCIPZKGDKOERX-UHFFFAOYSA-N 1 2 227.094 3.238 20 0 BGADLO c1csc(C[NH2+][C@@H]2CSc3ccccc32)n1 ZINC000083748685 343664113 /nfs/dbraw/zinc/66/41/13/343664113.db2.gz ICSGKZAARPJGLQ-SNVBAGLBSA-N 1 2 248.376 3.080 20 0 BGADLO c1csc(C[NH2+][C@H]2CSc3ccccc32)n1 ZINC000083748687 343663980 /nfs/dbraw/zinc/66/39/80/343663980.db2.gz ICSGKZAARPJGLQ-JTQLQIEISA-N 1 2 248.376 3.080 20 0 BGADLO c1nc(C[NH2+][C@@H]2CSc3ccccc32)cs1 ZINC000083748800 388061261 /nfs/dbraw/zinc/06/12/61/388061261.db2.gz HTUKUPLGUJOZPJ-LLVKDONJSA-N 1 2 248.376 3.080 20 0 BGADLO c1nc(C[NH2+][C@H]2CSc3ccccc32)cs1 ZINC000083748802 388061033 /nfs/dbraw/zinc/06/10/33/388061033.db2.gz HTUKUPLGUJOZPJ-NSHDSACASA-N 1 2 248.376 3.080 20 0 BGADLO CC[C@@H](C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000083865246 343507468 /nfs/dbraw/zinc/50/74/68/343507468.db2.gz UWOZXFCLKDUPIF-NXEZZACHSA-N 1 2 207.321 3.022 20 0 BGADLO CC[C@H](C)C[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000083865247 343507524 /nfs/dbraw/zinc/50/75/24/343507524.db2.gz UWOZXFCLKDUPIF-VHSXEESVSA-N 1 2 207.321 3.022 20 0 BGADLO CC[C@@H](C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000083865248 343507445 /nfs/dbraw/zinc/50/74/45/343507445.db2.gz UWOZXFCLKDUPIF-ZJUUUORDSA-N 1 2 207.321 3.022 20 0 BGADLO CC[C@H](C)C[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000083865249 343507415 /nfs/dbraw/zinc/50/74/15/343507415.db2.gz UWOZXFCLKDUPIF-UWVGGRQHSA-N 1 2 207.321 3.022 20 0 BGADLO CC[C@@H](C)C[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000083865350 343507487 /nfs/dbraw/zinc/50/74/87/343507487.db2.gz DORIGGGISKOPCJ-MWLCHTKSSA-N 1 2 207.321 3.022 20 0 BGADLO CC[C@H](C)C[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000083865351 343507528 /nfs/dbraw/zinc/50/75/28/343507528.db2.gz DORIGGGISKOPCJ-GXSJLCMTSA-N 1 2 207.321 3.022 20 0 BGADLO CC[C@@H](C)C[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000083865352 343507470 /nfs/dbraw/zinc/50/74/70/343507470.db2.gz DORIGGGISKOPCJ-KOLCDFICSA-N 1 2 207.321 3.022 20 0 BGADLO CC[C@H](C)C[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000083865353 343507425 /nfs/dbraw/zinc/50/74/25/343507425.db2.gz DORIGGGISKOPCJ-ONGXEEELSA-N 1 2 207.321 3.022 20 0 BGADLO CCc1cc(N[C@@H](C)C[C@@H](C)CC)nc[nH+]1 ZINC000083865354 343680388 /nfs/dbraw/zinc/68/03/88/343680388.db2.gz LUAODSHQECZFBQ-QWRGUYRKSA-N 1 2 221.348 3.276 20 0 BGADLO CCc1cc(N[C@H](C)C[C@@H](C)CC)nc[nH+]1 ZINC000083865355 343680348 /nfs/dbraw/zinc/68/03/48/343680348.db2.gz LUAODSHQECZFBQ-WDEREUQCSA-N 1 2 221.348 3.276 20 0 BGADLO CCc1cc(N[C@@H](C)C[C@H](C)CC)nc[nH+]1 ZINC000083865356 343680408 /nfs/dbraw/zinc/68/04/08/343680408.db2.gz LUAODSHQECZFBQ-MNOVXSKESA-N 1 2 221.348 3.276 20 0 BGADLO CCc1cc(N[C@H](C)C[C@H](C)CC)nc[nH+]1 ZINC000083865357 343680219 /nfs/dbraw/zinc/68/02/19/343680219.db2.gz LUAODSHQECZFBQ-GHMZBOCLSA-N 1 2 221.348 3.276 20 0 BGADLO c1ccc2[nH+]c(NCCC3CC3)ccc2c1 ZINC000083911145 388066646 /nfs/dbraw/zinc/06/66/46/388066646.db2.gz IJNNBNGFMQOLIF-UHFFFAOYSA-N 1 2 212.296 3.447 20 0 BGADLO COc1ccc(CNc2cccc[nH+]2)cc1Cl ZINC000084097334 388072097 /nfs/dbraw/zinc/07/20/97/388072097.db2.gz UTGFXJWTHKHHFO-UHFFFAOYSA-N 1 2 248.713 3.356 20 0 BGADLO CCOC(=O)[C@H](CC)[NH2+][C@@H](CC)c1ccccc1 ZINC000084102713 388072787 /nfs/dbraw/zinc/07/27/87/388072787.db2.gz YEOTZHVCGJWQCU-KBPBESRZSA-N 1 2 249.354 3.069 20 0 BGADLO CCOC(=O)[C@H](CC)[NH2+][C@H](CC)c1ccccc1 ZINC000084102715 388071667 /nfs/dbraw/zinc/07/16/67/388071667.db2.gz YEOTZHVCGJWQCU-KGLIPLIRSA-N 1 2 249.354 3.069 20 0 BGADLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](CC)c1ccccc1 ZINC000084102717 388072277 /nfs/dbraw/zinc/07/22/77/388072277.db2.gz YEOTZHVCGJWQCU-UONOGXRCSA-N 1 2 249.354 3.069 20 0 BGADLO CCOC(=O)[C@@H](CC)[NH2+][C@H](CC)c1ccccc1 ZINC000084102718 388072663 /nfs/dbraw/zinc/07/26/63/388072663.db2.gz YEOTZHVCGJWQCU-ZIAGYGMSSA-N 1 2 249.354 3.069 20 0 BGADLO CC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084132872 411278689 /nfs/dbraw/zinc/27/86/89/411278689.db2.gz NUDOBKCZGBWPRK-UHFFFAOYSA-N 1 2 230.138 3.371 20 0 BGADLO CC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084132872 411278688 /nfs/dbraw/zinc/27/86/88/411278688.db2.gz NUDOBKCZGBWPRK-UHFFFAOYSA-N 1 2 230.138 3.371 20 0 BGADLO Cc1nc(C)c(CNc2c[nH+]ccc2C)s1 ZINC000084148985 135187832 /nfs/dbraw/zinc/18/78/32/135187832.db2.gz BEOBICKGLKFHHX-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO CCc1cc(NCc2ccccc2CC)nc[nH+]1 ZINC000084204998 344132670 /nfs/dbraw/zinc/13/26/70/344132670.db2.gz SQONGRMYRWVENQ-UHFFFAOYSA-N 1 2 241.338 3.214 20 0 BGADLO CCc1cc(NC2C[C@@H](C)C[C@H](C)C2)nc[nH+]1 ZINC000084439049 344432211 /nfs/dbraw/zinc/43/22/11/344432211.db2.gz DGYUPFUXVIOQPW-QWRGUYRKSA-N 1 2 233.359 3.276 20 0 BGADLO CCc1cc(NC2C[C@H](C)C[C@@H](C)C2)nc[nH+]1 ZINC000084439052 344431854 /nfs/dbraw/zinc/43/18/54/344431854.db2.gz DGYUPFUXVIOQPW-GHMZBOCLSA-N 1 2 233.359 3.276 20 0 BGADLO Cc1cccn2cc(CSC(C)C)[nH+]c12 ZINC000084495667 490564407 /nfs/dbraw/zinc/56/44/07/490564407.db2.gz WLVVNQVASYTVQM-UHFFFAOYSA-N 1 2 220.341 3.284 20 0 BGADLO C/C=C/CSCc1cn2cccc(C)c2[nH+]1 ZINC000084495703 387450050 /nfs/dbraw/zinc/45/00/50/387450050.db2.gz KPTOUJJXLSXOOG-ONEGZZNKSA-N 1 2 232.352 3.452 20 0 BGADLO c1c(CSCC2CCC2)[nH+]c2ccccn12 ZINC000084495878 490564508 /nfs/dbraw/zinc/56/45/08/490564508.db2.gz BWBSHWOCHFYVFC-UHFFFAOYSA-N 1 2 232.352 3.368 20 0 BGADLO Cc1cc(NC(=O)C(C)(C)CC(C)C)cc[nH+]1 ZINC000084601603 384882949 /nfs/dbraw/zinc/88/29/49/384882949.db2.gz BXJZGVRCFNELAO-UHFFFAOYSA-N 1 2 234.343 3.401 20 0 BGADLO CCc1cc(N[C@@H]2CCC[C@H](CC)C2)nc[nH+]1 ZINC000085065990 344496888 /nfs/dbraw/zinc/49/68/88/344496888.db2.gz NJMYALMLBFYYCA-WCQYABFASA-N 1 2 233.359 3.420 20 0 BGADLO CCc1cc(N[C@H]2CCC[C@H](CC)C2)nc[nH+]1 ZINC000085065992 344497041 /nfs/dbraw/zinc/49/70/41/344497041.db2.gz NJMYALMLBFYYCA-AAEUAGOBSA-N 1 2 233.359 3.420 20 0 BGADLO CCc1cc(N[C@@H]2CCC[C@@H](CC)C2)nc[nH+]1 ZINC000085065993 344496833 /nfs/dbraw/zinc/49/68/33/344496833.db2.gz NJMYALMLBFYYCA-DGCLKSJQSA-N 1 2 233.359 3.420 20 0 BGADLO CCc1cc(N[C@H]2CCC[C@@H](CC)C2)nc[nH+]1 ZINC000085065995 344496897 /nfs/dbraw/zinc/49/68/97/344496897.db2.gz NJMYALMLBFYYCA-YPMHNXCESA-N 1 2 233.359 3.420 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)o1 ZINC000085161168 384925108 /nfs/dbraw/zinc/92/51/08/384925108.db2.gz USKIBPNLWQHHKW-GFCCVEGCSA-N 1 2 247.342 3.216 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)o1 ZINC000085161169 384923178 /nfs/dbraw/zinc/92/31/78/384923178.db2.gz USKIBPNLWQHHKW-LBPRGKRZSA-N 1 2 247.342 3.216 20 0 BGADLO CCn1c[nH+]cc1CNc1cccc(Cl)c1 ZINC000085182975 388084279 /nfs/dbraw/zinc/08/42/79/388084279.db2.gz KYBFCXSTDHNWAV-UHFFFAOYSA-N 1 2 235.718 3.169 20 0 BGADLO CCn1c[nH+]cc1CNc1ccc(Cl)cc1 ZINC000085182978 388084584 /nfs/dbraw/zinc/08/45/84/388084584.db2.gz ZLEAAKVDFJLSBZ-UHFFFAOYSA-N 1 2 235.718 3.169 20 0 BGADLO CCn1c[nH+]cc1CNc1ccccc1Cl ZINC000085182989 134224926 /nfs/dbraw/zinc/22/49/26/134224926.db2.gz RNNQQJKATLCJKU-UHFFFAOYSA-N 1 2 235.718 3.169 20 0 BGADLO CC(C)n1c[nH+]cc1CNc1ccccc1 ZINC000085187714 134248518 /nfs/dbraw/zinc/24/85/18/134248518.db2.gz BXTLWPWRZPYQMB-UHFFFAOYSA-N 1 2 215.300 3.076 20 0 BGADLO CCCOc1cc[nH+]c2cc(OC)ccc21 ZINC000085264171 387483982 /nfs/dbraw/zinc/48/39/82/387483982.db2.gz UWNSAMJNDGQMPM-UHFFFAOYSA-N 1 2 217.268 3.032 20 0 BGADLO CC[C@@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486108 384527068 /nfs/dbraw/zinc/52/70/68/384527068.db2.gz ZKVUZBAALFHMOF-SSDOTTSWSA-N 1 2 218.222 3.311 20 0 BGADLO CC[C@H](C)Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486110 384526362 /nfs/dbraw/zinc/52/63/62/384526362.db2.gz ZKVUZBAALFHMOF-ZETCQYMHSA-N 1 2 218.222 3.311 20 0 BGADLO CC(C)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486113 384527156 /nfs/dbraw/zinc/52/71/56/384527156.db2.gz GMVXJBYOIHJSLP-UHFFFAOYSA-N 1 2 218.222 3.168 20 0 BGADLO CCCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486127 384526841 /nfs/dbraw/zinc/52/68/41/384526841.db2.gz MKNMLWKLAMESCO-UHFFFAOYSA-N 1 2 218.222 3.312 20 0 BGADLO FC(F)(F)c1cc[nH+]c(NCC2CCC2)c1 ZINC000085486147 387061677 /nfs/dbraw/zinc/06/16/77/387061677.db2.gz OCHFBGAPAXDVRP-UHFFFAOYSA-N 1 2 230.233 3.312 20 0 BGADLO C[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)C1CC1 ZINC000085486157 387062291 /nfs/dbraw/zinc/06/22/91/387062291.db2.gz DZSWBADQECDOTP-ZETCQYMHSA-N 1 2 230.233 3.311 20 0 BGADLO C[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)C1CC1 ZINC000085486160 387062244 /nfs/dbraw/zinc/06/22/44/387062244.db2.gz DZSWBADQECDOTP-SSDOTTSWSA-N 1 2 230.233 3.311 20 0 BGADLO CC1(C)C[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486169 387061933 /nfs/dbraw/zinc/06/19/33/387061933.db2.gz VYPPWGWGPLKIAK-QMMMGPOBSA-N 1 2 230.233 3.311 20 0 BGADLO CC1(C)C[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486170 387061273 /nfs/dbraw/zinc/06/12/73/387061273.db2.gz VYPPWGWGPLKIAK-MRVPVSSYSA-N 1 2 230.233 3.311 20 0 BGADLO FC(F)(F)c1cc[nH+]c(NCCC2CC2)c1 ZINC000085486184 387062890 /nfs/dbraw/zinc/06/28/90/387062890.db2.gz AFSRBWBYNLYRHB-UHFFFAOYSA-N 1 2 230.233 3.312 20 0 BGADLO CCCCCNc1cc[nH+]c2ccncc12 ZINC000085652505 490566622 /nfs/dbraw/zinc/56/66/22/490566622.db2.gz PBHGEHCGJGRCQP-UHFFFAOYSA-N 1 2 215.300 3.232 20 0 BGADLO C[C@@H]1CCCCN1c1cc[nH+]c2ccncc21 ZINC000085652578 410466831 /nfs/dbraw/zinc/46/68/31/410466831.db2.gz AUOTYLCYLACDKB-LLVKDONJSA-N 1 2 227.311 3.009 20 0 BGADLO C[C@H]1CCCCN1c1cc[nH+]c2ccncc21 ZINC000085652579 410466484 /nfs/dbraw/zinc/46/64/84/410466484.db2.gz AUOTYLCYLACDKB-NSHDSACASA-N 1 2 227.311 3.009 20 0 BGADLO CCC[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000085654901 491051167 /nfs/dbraw/zinc/05/11/67/491051167.db2.gz KSFITYYAJXFGGI-SNVBAGLBSA-N 1 2 215.300 3.230 20 0 BGADLO CCC[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000085654902 491051181 /nfs/dbraw/zinc/05/11/81/491051181.db2.gz KSFITYYAJXFGGI-JTQLQIEISA-N 1 2 215.300 3.230 20 0 BGADLO c1cc(CNc2cc[nH+]c3ccncc23)cs1 ZINC000085656912 359843934 /nfs/dbraw/zinc/84/39/34/359843934.db2.gz ZQXYINQDUSVBGZ-UHFFFAOYSA-N 1 2 241.319 3.303 20 0 BGADLO CC(C)CCN(C)c1cc[nH+]c2ccncc21 ZINC000085658219 491051259 /nfs/dbraw/zinc/05/12/59/491051259.db2.gz PHUSTEHQZIPAFB-UHFFFAOYSA-N 1 2 229.327 3.112 20 0 BGADLO Cc1occc1CNc1cc[nH+]c2ccncc12 ZINC000085658421 491051256 /nfs/dbraw/zinc/05/12/56/491051256.db2.gz IEBVXTRBCWKTOF-UHFFFAOYSA-N 1 2 239.278 3.143 20 0 BGADLO CC(C)(C)CNc1cc[nH+]c2ccncc12 ZINC000085658519 343603158 /nfs/dbraw/zinc/60/31/58/343603158.db2.gz GTTKGPGFGQZKDJ-UHFFFAOYSA-N 1 2 215.300 3.088 20 0 BGADLO CN(CC(C)(C)C)c1cc[nH+]c2ccncc21 ZINC000085661411 345529145 /nfs/dbraw/zinc/52/91/45/345529145.db2.gz SMKBLSDVBLRCNS-UHFFFAOYSA-N 1 2 229.327 3.112 20 0 BGADLO C[C@@H]1CCC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000085683342 345528619 /nfs/dbraw/zinc/52/86/19/345528619.db2.gz HZBROQYTNFQHLT-PWSUYJOCSA-N 1 2 227.311 3.230 20 0 BGADLO C[C@H]1CCC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000085683343 345528726 /nfs/dbraw/zinc/52/87/26/345528726.db2.gz HZBROQYTNFQHLT-JQWIXIFHSA-N 1 2 227.311 3.230 20 0 BGADLO C[C@@H]1CCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000085683345 345528688 /nfs/dbraw/zinc/52/86/88/345528688.db2.gz HZBROQYTNFQHLT-ZYHUDNBSSA-N 1 2 227.311 3.230 20 0 BGADLO C[C@H]1CCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000085683346 345528928 /nfs/dbraw/zinc/52/89/28/345528928.db2.gz HZBROQYTNFQHLT-CMPLNLGQSA-N 1 2 227.311 3.230 20 0 BGADLO CC[C@@H](C)CN(C)c1cc[nH+]c2ccncc21 ZINC000085686550 345528735 /nfs/dbraw/zinc/52/87/35/345528735.db2.gz WPVKYEHPKMIVGY-LLVKDONJSA-N 1 2 229.327 3.112 20 0 BGADLO CC[C@H](C)CN(C)c1cc[nH+]c2ccncc21 ZINC000085686551 345529214 /nfs/dbraw/zinc/52/92/14/345529214.db2.gz WPVKYEHPKMIVGY-NSHDSACASA-N 1 2 229.327 3.112 20 0 BGADLO CSCCCCNc1cc[nH+]c2ccncc12 ZINC000085687540 345528674 /nfs/dbraw/zinc/52/86/74/345528674.db2.gz FLVJMMBWDRZAOM-UHFFFAOYSA-N 1 2 247.367 3.185 20 0 BGADLO c1cc2[nH+]ccc(NCCCC3CC3)c2cn1 ZINC000085687550 345528847 /nfs/dbraw/zinc/52/88/47/345528847.db2.gz YWRRIOCZRMROAA-UHFFFAOYSA-N 1 2 227.311 3.232 20 0 BGADLO c1cc2[nH+]ccc(N[C@H]3CC=CCC3)c2cn1 ZINC000085687595 345528517 /nfs/dbraw/zinc/52/85/17/345528517.db2.gz MEZDHJIYTKYFRV-NSHDSACASA-N 1 2 225.295 3.150 20 0 BGADLO c1cc2[nH+]ccc(N[C@@H]3CC=CCC3)c2cn1 ZINC000085687596 345529057 /nfs/dbraw/zinc/52/90/57/345529057.db2.gz MEZDHJIYTKYFRV-LLVKDONJSA-N 1 2 225.295 3.150 20 0 BGADLO C[C@@H]1CCN(c2cc[nH+]c3ccncc32)[C@H](C)C1 ZINC000085687862 345528893 /nfs/dbraw/zinc/52/88/93/345528893.db2.gz XERYOKUCBPGCFX-VXGBXAGGSA-N 1 2 241.338 3.255 20 0 BGADLO CCC1(CNc2cc[nH+]c3ccncc23)CC1 ZINC000085704255 345529083 /nfs/dbraw/zinc/52/90/83/345529083.db2.gz BQXFRJKVCGSMHB-UHFFFAOYSA-N 1 2 227.311 3.232 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@H](C)C(C)(C)C)[nH+]1 ZINC000085705563 368869994 /nfs/dbraw/zinc/86/99/94/368869994.db2.gz RZBIBMWBRMMCRC-MRVPVSSYSA-N 1 2 232.331 3.113 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)C1CCCC1 ZINC000085711382 387506857 /nfs/dbraw/zinc/50/68/57/387506857.db2.gz WHZXXVUTHVSECR-JTQLQIEISA-N 1 2 204.317 3.381 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)C1CCCC1 ZINC000085711384 387506795 /nfs/dbraw/zinc/50/67/95/387506795.db2.gz WHZXXVUTHVSECR-SNVBAGLBSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1[nH+]cccc1NCc1ccccc1F ZINC000085711461 388095804 /nfs/dbraw/zinc/09/58/04/388095804.db2.gz AXDALLLDWBGLIQ-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1[nH+]cccc1NCc1cccc(F)c1 ZINC000085711464 388095397 /nfs/dbraw/zinc/09/53/97/388095397.db2.gz LBLUJKUBCGAABZ-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1[nH+]cccc1NCc1ccc(F)cc1 ZINC000085711647 388095600 /nfs/dbraw/zinc/09/56/00/388095600.db2.gz DYALDSNMVRTEPC-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1ccc(CNc2ccc[nH+]c2C)cc1 ZINC000085711659 388095130 /nfs/dbraw/zinc/09/51/30/388095130.db2.gz SNGALXQZOWZVIW-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1[nH+]cccc1NCc1ccsc1 ZINC000085711683 180225756 /nfs/dbraw/zinc/22/57/56/180225756.db2.gz JRGIRQNNXUFZKF-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO Cc1ccsc1CNc1ccc[nH+]c1C ZINC000085711851 384554635 /nfs/dbraw/zinc/55/46/35/384554635.db2.gz WVOLSQNSLCOCPK-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1[nH+]cccc1NCc1ccc(Cl)o1 ZINC000085711858 343604204 /nfs/dbraw/zinc/60/42/04/343604204.db2.gz COYXWQCWRMCEGL-UHFFFAOYSA-N 1 2 222.675 3.249 20 0 BGADLO Cc1ccccc1CNc1ccc[nH+]c1C ZINC000085711951 357560743 /nfs/dbraw/zinc/56/07/43/357560743.db2.gz PIXSFFVJKPIUAU-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1ccc(CNc2ccc[nH+]c2C)s1 ZINC000085711960 384964387 /nfs/dbraw/zinc/96/43/87/384964387.db2.gz MPSYZIWKQCUAPP-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1nc(C)c(CNc2ccc[nH+]c2C)s1 ZINC000085712053 357560527 /nfs/dbraw/zinc/56/05/27/357560527.db2.gz UTVXWUSVGHOLCO-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO CCc1ccc(CNc2ccc[nH+]c2C)o1 ZINC000085712072 384964364 /nfs/dbraw/zinc/96/43/64/384964364.db2.gz MVHNJKJXTJWJHJ-UHFFFAOYSA-N 1 2 216.284 3.158 20 0 BGADLO Cc1cccc(CNc2ccc[nH+]c2C)c1 ZINC000085712159 357560668 /nfs/dbraw/zinc/56/06/68/357560668.db2.gz DGUUJZHJMAYIQL-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1[nH+]cccc1NC[C@H]1CC=CCC1 ZINC000085712162 180226483 /nfs/dbraw/zinc/22/64/83/180226483.db2.gz VVWWZMSEDBBREI-LBPRGKRZSA-N 1 2 202.301 3.158 20 0 BGADLO Cc1[nH+]cccc1NC[C@@H]1CC=CCC1 ZINC000085712170 180226243 /nfs/dbraw/zinc/22/62/43/180226243.db2.gz VVWWZMSEDBBREI-GFCCVEGCSA-N 1 2 202.301 3.158 20 0 BGADLO CCc1ncc(CNc2ccc[nH+]c2C)s1 ZINC000085726693 172021050 /nfs/dbraw/zinc/02/10/50/172021050.db2.gz GUKMVKFDCICPDL-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO C[C@H]([NH2+]C/C(Cl)=C/Cl)c1ccccn1 ZINC000085977662 384582292 /nfs/dbraw/zinc/58/22/92/384582292.db2.gz IUGUBDLKNHTABS-HWPCKVLBSA-N 1 2 231.126 3.051 20 0 BGADLO C[C@@H]([NH2+]C/C(Cl)=C/Cl)c1ccccn1 ZINC000085977666 384581486 /nfs/dbraw/zinc/58/14/86/384581486.db2.gz IUGUBDLKNHTABS-WSQKDGNHSA-N 1 2 231.126 3.051 20 0 BGADLO Cc1noc(C)c1[C@@H](C)[NH2+]C/C(Cl)=C/Cl ZINC000086110412 643912154 /nfs/dbraw/zinc/91/21/54/643912154.db2.gz OYXLOTWYKVFFFG-JSGQGRBMSA-N 1 2 249.141 3.261 20 0 BGADLO Cc1noc(C)c1[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC000086110414 643912825 /nfs/dbraw/zinc/91/28/25/643912825.db2.gz OYXLOTWYKVFFFG-WGFXVOQCSA-N 1 2 249.141 3.261 20 0 BGADLO CC[C@H]([NH2+]c1ccc(OC)cc1OC)C1CC1 ZINC000086115497 644459003 /nfs/dbraw/zinc/45/90/03/644459003.db2.gz NNIFUKALTFKYDP-LBPRGKRZSA-N 1 2 235.327 3.304 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(OC)cc1OC)C1CC1 ZINC000086115498 643916722 /nfs/dbraw/zinc/91/67/22/643916722.db2.gz NNIFUKALTFKYDP-GFCCVEGCSA-N 1 2 235.327 3.304 20 0 BGADLO CC[C@H](Nc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000086116730 491057826 /nfs/dbraw/zinc/05/78/26/491057826.db2.gz JMYYZQNUQYEBIS-HNNXBMFYSA-N 1 2 241.338 3.473 20 0 BGADLO CC[C@@H](Nc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000086116733 491057806 /nfs/dbraw/zinc/05/78/06/491057806.db2.gz JMYYZQNUQYEBIS-OAHLLOKOSA-N 1 2 241.338 3.473 20 0 BGADLO CC[C@H]([NH2+]c1ccc(-n2cccn2)cc1)C1CC1 ZINC000086117194 491057914 /nfs/dbraw/zinc/05/79/14/491057914.db2.gz GYVRDDZKRCGNAD-HNNXBMFYSA-N 1 2 241.338 3.473 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(-n2cccn2)cc1)C1CC1 ZINC000086117197 491057938 /nfs/dbraw/zinc/05/79/38/491057938.db2.gz GYVRDDZKRCGNAD-OAHLLOKOSA-N 1 2 241.338 3.473 20 0 BGADLO CC[C@H](Nc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC000086117249 387515592 /nfs/dbraw/zinc/51/55/92/387515592.db2.gz RJSRSTWYDKCKJI-AWEZNQCLSA-N 1 2 245.370 3.282 20 0 BGADLO CC[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)C1CC1 ZINC000086117254 384988612 /nfs/dbraw/zinc/98/86/12/384988612.db2.gz RJSRSTWYDKCKJI-CQSZACIVSA-N 1 2 245.370 3.282 20 0 BGADLO CC[C@H]([NH2+]c1ccc(OCCOC)cc1)C1CC1 ZINC000086118435 384987333 /nfs/dbraw/zinc/98/73/33/384987333.db2.gz ACKJTTINJSCHFJ-HNNXBMFYSA-N 1 2 249.354 3.312 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(OCCOC)cc1)C1CC1 ZINC000086118436 344212042 /nfs/dbraw/zinc/21/20/42/344212042.db2.gz ACKJTTINJSCHFJ-OAHLLOKOSA-N 1 2 249.354 3.312 20 0 BGADLO CCOc1ccc([NH2+][C@@H](CC)C2CC2)cc1CO ZINC000086119573 170553799 /nfs/dbraw/zinc/55/37/99/170553799.db2.gz NMKCHFDUJPNRTE-AWEZNQCLSA-N 1 2 249.354 3.178 20 0 BGADLO CCOc1ccc([NH2+][C@H](CC)C2CC2)cc1CO ZINC000086119576 384987899 /nfs/dbraw/zinc/98/78/99/384987899.db2.gz NMKCHFDUJPNRTE-CQSZACIVSA-N 1 2 249.354 3.178 20 0 BGADLO Cc1cc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)no1 ZINC000086232987 384997104 /nfs/dbraw/zinc/99/71/04/384997104.db2.gz VKPMSKMCGDYWQU-NSHDSACASA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)no1 ZINC000086232987 384997092 /nfs/dbraw/zinc/99/70/92/384997092.db2.gz VKPMSKMCGDYWQU-NSHDSACASA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cc(C[N@H+]([C@H](C)c2ccco2)C2CC2)no1 ZINC000086232989 384998620 /nfs/dbraw/zinc/99/86/20/384998620.db2.gz VKPMSKMCGDYWQU-LLVKDONJSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)no1 ZINC000086232989 384998618 /nfs/dbraw/zinc/99/86/18/384998618.db2.gz VKPMSKMCGDYWQU-LLVKDONJSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cnc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)o1 ZINC000086235701 385002320 /nfs/dbraw/zinc/00/23/20/385002320.db2.gz UQAWISZZTBUANX-NSHDSACASA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cnc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)o1 ZINC000086235701 385002317 /nfs/dbraw/zinc/00/23/17/385002317.db2.gz UQAWISZZTBUANX-NSHDSACASA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cnc(C[N@H+]([C@H](C)c2ccco2)C2CC2)o1 ZINC000086235704 385001637 /nfs/dbraw/zinc/00/16/37/385001637.db2.gz UQAWISZZTBUANX-LLVKDONJSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cnc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)o1 ZINC000086235704 385001631 /nfs/dbraw/zinc/00/16/31/385001631.db2.gz UQAWISZZTBUANX-LLVKDONJSA-N 1 2 246.310 3.302 20 0 BGADLO CC[C@@H](C)C[N@@H+](CC)Cc1nnsc1Cl ZINC000086437633 388684182 /nfs/dbraw/zinc/68/41/82/388684182.db2.gz YTHHKZZGVWRTAD-MRVPVSSYSA-N 1 2 247.795 3.060 20 0 BGADLO CC[C@@H](C)C[N@H+](CC)Cc1nnsc1Cl ZINC000086437633 388684181 /nfs/dbraw/zinc/68/41/81/388684181.db2.gz YTHHKZZGVWRTAD-MRVPVSSYSA-N 1 2 247.795 3.060 20 0 BGADLO CC[C@H](C)C[N@@H+](CC)Cc1nnsc1Cl ZINC000086437634 388683932 /nfs/dbraw/zinc/68/39/32/388683932.db2.gz YTHHKZZGVWRTAD-QMMMGPOBSA-N 1 2 247.795 3.060 20 0 BGADLO CC[C@H](C)C[N@H+](CC)Cc1nnsc1Cl ZINC000086437634 388683930 /nfs/dbraw/zinc/68/39/30/388683930.db2.gz YTHHKZZGVWRTAD-QMMMGPOBSA-N 1 2 247.795 3.060 20 0 BGADLO C[C@H]([NH2+]Cc1ccon1)c1cccc(Cl)c1 ZINC000086453762 385016847 /nfs/dbraw/zinc/01/68/47/385016847.db2.gz BNYMIFJPUNEBOH-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO C[C@@H]([NH2+]Cc1ccon1)c1cccc(Cl)c1 ZINC000086453763 385016395 /nfs/dbraw/zinc/01/63/95/385016395.db2.gz BNYMIFJPUNEBOH-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1nccs1 ZINC000086508379 385024485 /nfs/dbraw/zinc/02/44/85/385024485.db2.gz ZDAOECZLYUZFJV-JTQLQIEISA-N 1 2 247.367 3.382 20 0 BGADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1nccs1 ZINC000086508381 385024264 /nfs/dbraw/zinc/02/42/64/385024264.db2.gz ZDAOECZLYUZFJV-SNVBAGLBSA-N 1 2 247.367 3.382 20 0 BGADLO CC[NH2+]Cc1noc(C2CCCCCCC2)n1 ZINC000086581878 644153862 /nfs/dbraw/zinc/15/38/62/644153862.db2.gz IYQYJXGBKZRBBB-UHFFFAOYSA-N 1 2 237.347 3.007 20 0 BGADLO COc1ccc([NH2+][C@H]2CCC[C@H]2C)c(OC)c1 ZINC000086669553 644162114 /nfs/dbraw/zinc/16/21/14/644162114.db2.gz YWCITHWFHURFSW-PWSUYJOCSA-N 1 2 235.327 3.304 20 0 BGADLO COc1ccc([NH2+][C@H]2CCC[C@@H]2C)c(OC)c1 ZINC000086669558 644162271 /nfs/dbraw/zinc/16/22/71/644162271.db2.gz YWCITHWFHURFSW-JQWIXIFHSA-N 1 2 235.327 3.304 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCC[C@H]2C)c(OC)c1 ZINC000086669560 644162262 /nfs/dbraw/zinc/16/22/62/644162262.db2.gz YWCITHWFHURFSW-ZYHUDNBSSA-N 1 2 235.327 3.304 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCC[C@@H]2C)c(OC)c1 ZINC000086669563 644162360 /nfs/dbraw/zinc/16/23/60/644162360.db2.gz YWCITHWFHURFSW-CMPLNLGQSA-N 1 2 235.327 3.304 20 0 BGADLO C[C@@H]1CCC[C@@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000086672547 388403528 /nfs/dbraw/zinc/40/35/28/388403528.db2.gz MIJSUTNCIAXIJS-DOMZBBRYSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@H]1CCC[C@@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000086672548 388403421 /nfs/dbraw/zinc/40/34/21/388403421.db2.gz MIJSUTNCIAXIJS-WFASDCNBSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@@H]1CCC[C@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000086672549 388403818 /nfs/dbraw/zinc/40/38/18/388403818.db2.gz MIJSUTNCIAXIJS-IUODEOHRSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@H]1CCC[C@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000086672550 388403447 /nfs/dbraw/zinc/40/34/47/388403447.db2.gz MIJSUTNCIAXIJS-SWLSCSKDSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@@H]1CCC[C@@H]1[NH2+]c1ccc(-n2cccn2)cc1 ZINC000086672945 388403955 /nfs/dbraw/zinc/40/39/55/388403955.db2.gz FZJYEKBRNAEKRE-DOMZBBRYSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@H]1CCC[C@@H]1[NH2+]c1ccc(-n2cccn2)cc1 ZINC000086672946 256797839 /nfs/dbraw/zinc/79/78/39/256797839.db2.gz FZJYEKBRNAEKRE-WFASDCNBSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@@H]1CCC[C@H]1[NH2+]c1ccc(-n2cccn2)cc1 ZINC000086672947 388403823 /nfs/dbraw/zinc/40/38/23/388403823.db2.gz FZJYEKBRNAEKRE-IUODEOHRSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@H]1CCC[C@H]1[NH2+]c1ccc(-n2cccn2)cc1 ZINC000086672948 388403683 /nfs/dbraw/zinc/40/36/83/388403683.db2.gz FZJYEKBRNAEKRE-SWLSCSKDSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@@H]1CCC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000086672997 388403575 /nfs/dbraw/zinc/40/35/75/388403575.db2.gz ADPIEICSPZCZTQ-OCCSQVGLSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H]1CCC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000086672998 388403579 /nfs/dbraw/zinc/40/35/79/388403579.db2.gz ADPIEICSPZCZTQ-JSGCOSHPSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H]1CCC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000086672999 388403585 /nfs/dbraw/zinc/40/35/85/388403585.db2.gz ADPIEICSPZCZTQ-TZMCWYRMSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H]1CCC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000086673000 388403776 /nfs/dbraw/zinc/40/37/76/388403776.db2.gz ADPIEICSPZCZTQ-GXTWGEPZSA-N 1 2 245.370 3.282 20 0 BGADLO C[N@@H+](Cc1ccco1)Cc1cnc(Cl)s1 ZINC000086776474 384682465 /nfs/dbraw/zinc/68/24/65/384682465.db2.gz QAJZMGCPUKCPIJ-UHFFFAOYSA-N 1 2 242.731 3.022 20 0 BGADLO C[N@H+](Cc1ccco1)Cc1cnc(Cl)s1 ZINC000086776474 384682455 /nfs/dbraw/zinc/68/24/55/384682455.db2.gz QAJZMGCPUKCPIJ-UHFFFAOYSA-N 1 2 242.731 3.022 20 0 BGADLO CCc1cc(N[C@@H]2CCCC2(C)C)nc[nH+]1 ZINC000086831380 491064434 /nfs/dbraw/zinc/06/44/34/491064434.db2.gz NPHMYHRIKMYRCQ-LLVKDONJSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@H]2CCCC2(C)C)nc[nH+]1 ZINC000086831381 491064439 /nfs/dbraw/zinc/06/44/39/491064439.db2.gz NPHMYHRIKMYRCQ-NSHDSACASA-N 1 2 219.332 3.030 20 0 BGADLO CC1(C)CCCC[C@@H]1[NH2+]CC(F)(F)F ZINC000086842049 385052749 /nfs/dbraw/zinc/05/27/49/385052749.db2.gz CUQXDARVWHEYJR-QMMMGPOBSA-N 1 2 209.255 3.107 20 0 BGADLO CC1(C)CCCC[C@H]1[NH2+]CC(F)(F)F ZINC000086842052 385052722 /nfs/dbraw/zinc/05/27/22/385052722.db2.gz CUQXDARVWHEYJR-MRVPVSSYSA-N 1 2 209.255 3.107 20 0 BGADLO CC1(C)CCCC[C@@H]1Nc1cccc[nH+]1 ZINC000086876243 384715221 /nfs/dbraw/zinc/71/52/21/384715221.db2.gz UTEASBRZJPERSO-NSHDSACASA-N 1 2 204.317 3.462 20 0 BGADLO CC1(C)CCCC[C@H]1Nc1cccc[nH+]1 ZINC000086876247 135099754 /nfs/dbraw/zinc/09/97/54/135099754.db2.gz UTEASBRZJPERSO-LLVKDONJSA-N 1 2 204.317 3.462 20 0 BGADLO Cc1cc(N[C@@H]2CCCCC2(C)C)nc[nH+]1 ZINC000086876343 388110519 /nfs/dbraw/zinc/11/05/19/388110519.db2.gz RJHGQUHKAVVRKG-LLVKDONJSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1cc(N[C@H]2CCCCC2(C)C)nc[nH+]1 ZINC000086876346 388110384 /nfs/dbraw/zinc/11/03/84/388110384.db2.gz RJHGQUHKAVVRKG-NSHDSACASA-N 1 2 219.332 3.166 20 0 BGADLO Cc1nc(N[C@@H]2CCCCC2(C)C)cc[nH+]1 ZINC000086876360 388110187 /nfs/dbraw/zinc/11/01/87/388110187.db2.gz UELAKVYDBKJUOU-LLVKDONJSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1nc(N[C@H]2CCCCC2(C)C)cc[nH+]1 ZINC000086876362 388110067 /nfs/dbraw/zinc/11/00/67/388110067.db2.gz UELAKVYDBKJUOU-NSHDSACASA-N 1 2 219.332 3.166 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CS1 ZINC000086934910 631474858 /nfs/dbraw/zinc/47/48/58/631474858.db2.gz SXFCGAJQUZRMPS-PWSUYJOCSA-N 1 2 236.384 3.059 20 0 BGADLO C[C@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CS1 ZINC000086934911 644295669 /nfs/dbraw/zinc/29/56/69/644295669.db2.gz SXFCGAJQUZRMPS-JQWIXIFHSA-N 1 2 236.384 3.059 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CS1 ZINC000086934912 644295531 /nfs/dbraw/zinc/29/55/31/644295531.db2.gz SXFCGAJQUZRMPS-ZYHUDNBSSA-N 1 2 236.384 3.059 20 0 BGADLO C[C@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CS1 ZINC000086934913 644295759 /nfs/dbraw/zinc/29/57/59/644295759.db2.gz SXFCGAJQUZRMPS-CMPLNLGQSA-N 1 2 236.384 3.059 20 0 BGADLO CC[C@](C)(O)CNc1[nH+]c2ccccc2cc1C ZINC000087029625 385065714 /nfs/dbraw/zinc/06/57/14/385065714.db2.gz XRTQWLNSYRGJBX-HNNXBMFYSA-N 1 2 244.338 3.116 20 0 BGADLO CC[C@@](C)(O)CNc1[nH+]c2ccccc2cc1C ZINC000087029626 322963232 /nfs/dbraw/zinc/96/32/32/322963232.db2.gz XRTQWLNSYRGJBX-OAHLLOKOSA-N 1 2 244.338 3.116 20 0 BGADLO Cc1ccc(NC2CCSCC2)c(C)[nH+]1 ZINC000087151495 384741312 /nfs/dbraw/zinc/74/13/12/384741312.db2.gz MRZLSADWMGLQCZ-UHFFFAOYSA-N 1 2 222.357 3.006 20 0 BGADLO Cc1ccc(CNc2ccc(C)[nH+]c2C)o1 ZINC000087151511 385077512 /nfs/dbraw/zinc/07/75/12/385077512.db2.gz BZFBHPDCTNHWME-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO Cc1ccc(N[C@@H]2CCC[C@@H]2C)c(C)[nH+]1 ZINC000087151564 135107878 /nfs/dbraw/zinc/10/78/78/135107878.db2.gz GXNLYOMICUWITE-JOYOIKCWSA-N 1 2 204.317 3.299 20 0 BGADLO Cc1ccc(N[C@H]2CCC[C@@H]2C)c(C)[nH+]1 ZINC000087151566 135108004 /nfs/dbraw/zinc/10/80/04/135108004.db2.gz GXNLYOMICUWITE-CABZTGNLSA-N 1 2 204.317 3.299 20 0 BGADLO Cc1ccc(N[C@@H]2CCC[C@H]2C)c(C)[nH+]1 ZINC000087151568 135107911 /nfs/dbraw/zinc/10/79/11/135107911.db2.gz GXNLYOMICUWITE-BXKDBHETSA-N 1 2 204.317 3.299 20 0 BGADLO Cc1ccc(N[C@H]2CCC[C@H]2C)c(C)[nH+]1 ZINC000087151569 135107937 /nfs/dbraw/zinc/10/79/37/135107937.db2.gz GXNLYOMICUWITE-SKDRFNHKSA-N 1 2 204.317 3.299 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000087151576 135107860 /nfs/dbraw/zinc/10/78/60/135107860.db2.gz QGDMPCFNBXNZKD-JOYOIKCWSA-N 1 2 204.317 3.299 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000087151578 135107969 /nfs/dbraw/zinc/10/79/69/135107969.db2.gz QGDMPCFNBXNZKD-CABZTGNLSA-N 1 2 204.317 3.299 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000087151580 135107903 /nfs/dbraw/zinc/10/79/03/135107903.db2.gz QGDMPCFNBXNZKD-BXKDBHETSA-N 1 2 204.317 3.299 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000087151581 135107906 /nfs/dbraw/zinc/10/79/06/135107906.db2.gz QGDMPCFNBXNZKD-SKDRFNHKSA-N 1 2 204.317 3.299 20 0 BGADLO Cc1ncsc1CNc1ccc(C)[nH+]c1C ZINC000087151607 385077788 /nfs/dbraw/zinc/07/77/88/385077788.db2.gz MZAGQKMLGAPCOF-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1ccc(NCc2ccccc2)c(C)[nH+]1 ZINC000087151611 135107952 /nfs/dbraw/zinc/10/79/52/135107952.db2.gz OXQDMKHMRJYATM-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1ncc(CNc2ccc(C)[nH+]c2C)s1 ZINC000087151639 385077431 /nfs/dbraw/zinc/07/74/31/385077431.db2.gz JVEZSGAYBKZKIK-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1ccc(NCc2cccs2)c(C)[nH+]1 ZINC000087151663 384743313 /nfs/dbraw/zinc/74/33/13/384743313.db2.gz LMLWRSWYLWYISG-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1nc(CNc2ccc(C)[nH+]c2C)cs1 ZINC000087151717 385080145 /nfs/dbraw/zinc/08/01/45/385080145.db2.gz XEJDBQKIPXMYIC-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1ccc(N[C@H]2CS[C@@H](C)C2)c(C)[nH+]1 ZINC000087151728 487613294 /nfs/dbraw/zinc/61/32/94/487613294.db2.gz USFIHZNDARJLLA-GXSJLCMTSA-N 1 2 222.357 3.004 20 0 BGADLO Cc1ccc(N[C@@H]2CS[C@@H](C)C2)c(C)[nH+]1 ZINC000087151730 487613982 /nfs/dbraw/zinc/61/39/82/487613982.db2.gz USFIHZNDARJLLA-ONGXEEELSA-N 1 2 222.357 3.004 20 0 BGADLO Cc1ccc(N[C@H]2CS[C@H](C)C2)c(C)[nH+]1 ZINC000087151732 487613925 /nfs/dbraw/zinc/61/39/25/487613925.db2.gz USFIHZNDARJLLA-MWLCHTKSSA-N 1 2 222.357 3.004 20 0 BGADLO Cc1ccc(N[C@@H]2CS[C@H](C)C2)c(C)[nH+]1 ZINC000087151734 487613304 /nfs/dbraw/zinc/61/33/04/487613304.db2.gz USFIHZNDARJLLA-KOLCDFICSA-N 1 2 222.357 3.004 20 0 BGADLO Cc1ccc(NCc2ccsc2)c(C)[nH+]1 ZINC000087151846 385080062 /nfs/dbraw/zinc/08/00/62/385080062.db2.gz ARIJOFSLFYBFFA-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO CCOc1ccc([NH2+]CC[C@@H]2CCCO2)cc1 ZINC000087246917 385085331 /nfs/dbraw/zinc/08/53/31/385085331.db2.gz CQZBAYMXBHDOSW-ZDUSSCGKSA-N 1 2 235.327 3.066 20 0 BGADLO CCOc1ccc([NH2+]CC[C@H]2CCCO2)cc1 ZINC000087246918 385086741 /nfs/dbraw/zinc/08/67/41/385086741.db2.gz CQZBAYMXBHDOSW-CYBMUJFWSA-N 1 2 235.327 3.066 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1nccs1)c1ccoc1 ZINC000087290328 365518063 /nfs/dbraw/zinc/51/80/63/365518063.db2.gz JQVVICKFMKIEML-IUCAKERBSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccoc1 ZINC000087290329 365517931 /nfs/dbraw/zinc/51/79/31/365517931.db2.gz JQVVICKFMKIEML-BDAKNGLRSA-N 1 2 222.313 3.148 20 0 BGADLO Cc1csc([C@@H](C)[NH2+][C@@H](C)c2ccoc2)n1 ZINC000087290332 385089612 /nfs/dbraw/zinc/08/96/12/385089612.db2.gz IGULJRVFIIDTJH-VHSXEESVSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccoc2)n1 ZINC000087290333 384937629 /nfs/dbraw/zinc/93/76/29/384937629.db2.gz IGULJRVFIIDTJH-UWVGGRQHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1csc([C@@H](C)[NH2+][C@H](C)c2ccoc2)n1 ZINC000087290334 384935159 /nfs/dbraw/zinc/93/51/59/384935159.db2.gz IGULJRVFIIDTJH-NXEZZACHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1csc([C@H](C)[NH2+][C@H](C)c2ccoc2)n1 ZINC000087290335 384937071 /nfs/dbraw/zinc/93/70/71/384937071.db2.gz IGULJRVFIIDTJH-ZJUUUORDSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1cscc1CNc1cccc[nH+]1 ZINC000087311104 135123484 /nfs/dbraw/zinc/12/34/84/135123484.db2.gz SXBHWCFPRHJXES-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO CCc1cc(NCc2cscc2C)nc[nH+]1 ZINC000087311146 491083893 /nfs/dbraw/zinc/08/38/93/491083893.db2.gz ZXBKDISFUZOFEM-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]CC(F)F)cc1F ZINC000087369719 487649811 /nfs/dbraw/zinc/64/98/11/487649811.db2.gz ILZIADBSMAASTG-MRVPVSSYSA-N 1 2 217.234 3.050 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]CC(F)F)cc1F ZINC000087369722 491086773 /nfs/dbraw/zinc/08/67/73/491086773.db2.gz ILZIADBSMAASTG-QMMMGPOBSA-N 1 2 217.234 3.050 20 0 BGADLO COc1cc(C)ccc1[NH2+]CC1CCC1 ZINC000087584627 135157175 /nfs/dbraw/zinc/15/71/75/135157175.db2.gz IHZRPLKGJRBBGH-UHFFFAOYSA-N 1 2 205.301 3.216 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CCC(C)(C)C1 ZINC000087772302 384846917 /nfs/dbraw/zinc/84/69/17/384846917.db2.gz KIPFQBRWPQPQTG-LLVKDONJSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CCC(C)(C)C1 ZINC000087772304 343659995 /nfs/dbraw/zinc/65/99/95/343659995.db2.gz KIPFQBRWPQPQTG-NSHDSACASA-N 1 2 204.317 3.381 20 0 BGADLO C[C@H]([NH2+]Cc1ccon1)c1ccc(Cl)s1 ZINC000088052485 136284271 /nfs/dbraw/zinc/28/42/71/136284271.db2.gz POIZSCFRFKQVPT-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@@H]([NH2+]Cc1ccon1)c1ccc(Cl)s1 ZINC000088052486 136284608 /nfs/dbraw/zinc/28/46/08/136284608.db2.gz POIZSCFRFKQVPT-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(F)(F)F ZINC000088131467 259333422 /nfs/dbraw/zinc/33/34/22/259333422.db2.gz VKDHJBYLDABVJD-BDAKNGLRSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(F)(F)F ZINC000088131468 259333339 /nfs/dbraw/zinc/33/33/39/259333339.db2.gz VKDHJBYLDABVJD-IUCAKERBSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(F)(F)F ZINC000088131469 385046290 /nfs/dbraw/zinc/04/62/90/385046290.db2.gz VKDHJBYLDABVJD-RKDXNWHRSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(F)(F)F ZINC000088131470 259333373 /nfs/dbraw/zinc/33/33/73/259333373.db2.gz VKDHJBYLDABVJD-DTWKUNHWSA-N 1 2 223.282 3.353 20 0 BGADLO CCC(O)(CC)CNc1ccc2ccccc2[nH+]1 ZINC000088225867 359941140 /nfs/dbraw/zinc/94/11/40/359941140.db2.gz FXVMUBIHCOXZEZ-UHFFFAOYSA-N 1 2 244.338 3.198 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000088255001 359942470 /nfs/dbraw/zinc/94/24/70/359942470.db2.gz REYCTMOPNUIVLK-SNVBAGLBSA-N 1 2 247.317 3.016 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000088255002 359942410 /nfs/dbraw/zinc/94/24/10/359942410.db2.gz REYCTMOPNUIVLK-JTQLQIEISA-N 1 2 247.317 3.016 20 0 BGADLO Cc1cc(F)ccc1CCNc1cccc[nH+]1 ZINC000088521262 359964435 /nfs/dbraw/zinc/96/44/35/359964435.db2.gz SVCNSEYSJMZEQD-UHFFFAOYSA-N 1 2 230.286 3.184 20 0 BGADLO Cc1ccc([C@@H](C)Nc2cc[nH+]c(C)n2)cc1F ZINC000088521334 359964298 /nfs/dbraw/zinc/96/42/98/359964298.db2.gz WYCLZVYHYXEPFJ-SNVBAGLBSA-N 1 2 245.301 3.406 20 0 BGADLO COCc1cccc(CNc2c[nH+]ccc2C)c1 ZINC000088553719 383913005 /nfs/dbraw/zinc/91/30/05/383913005.db2.gz YQDSTNDOYLYOLC-UHFFFAOYSA-N 1 2 242.322 3.149 20 0 BGADLO COCc1ccc(CNc2c[nH+]ccc2C)cc1 ZINC000088568483 383911903 /nfs/dbraw/zinc/91/19/03/383911903.db2.gz FMFQUVKWIAJDLO-UHFFFAOYSA-N 1 2 242.322 3.149 20 0 BGADLO Cc1csc(C[N@H+](C)[C@@H](C)c2ccco2)n1 ZINC000088587156 383913059 /nfs/dbraw/zinc/91/30/59/383913059.db2.gz STJJHTXCXLFHNX-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1csc(C[N@@H+](C)[C@@H](C)c2ccco2)n1 ZINC000088587156 383913056 /nfs/dbraw/zinc/91/30/56/383913056.db2.gz STJJHTXCXLFHNX-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1csc(C[N@H+](C)[C@H](C)c2ccco2)n1 ZINC000088587157 383911751 /nfs/dbraw/zinc/91/17/51/383911751.db2.gz STJJHTXCXLFHNX-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1csc(C[N@@H+](C)[C@H](C)c2ccco2)n1 ZINC000088587157 383911745 /nfs/dbraw/zinc/91/17/45/383911745.db2.gz STJJHTXCXLFHNX-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1ccc(CCNc2ncccc2Cl)c[nH+]1 ZINC000088722225 345544205 /nfs/dbraw/zinc/54/42/05/345544205.db2.gz KYOMHDNJIXOONX-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO Cc1nc(N2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000088727436 345544831 /nfs/dbraw/zinc/54/48/31/345544831.db2.gz DLDUTSPVANIOKL-YUTCNCBUSA-N 1 2 245.370 3.190 20 0 BGADLO Cc1ncsc1CNc1ccc([NH+](C)C)cc1 ZINC000088868988 180324561 /nfs/dbraw/zinc/32/45/61/180324561.db2.gz KMRFNNGBURFABA-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO CC(C)Cn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000089506549 383973738 /nfs/dbraw/zinc/97/37/38/383973738.db2.gz BNIKZESVTVWDEE-UHFFFAOYSA-N 1 2 243.232 3.106 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]CCCCOC ZINC000089658949 383984471 /nfs/dbraw/zinc/98/44/71/383984471.db2.gz BRKULFCNQFRAMW-UHFFFAOYSA-N 1 2 237.343 3.232 20 0 BGADLO CC[C@@H](C)C(=O)CSc1[nH+]cc2ccccn21 ZINC000089675339 325667935 /nfs/dbraw/zinc/66/79/35/325667935.db2.gz JMCNIYSILULLAM-SNVBAGLBSA-N 1 2 248.351 3.042 20 0 BGADLO CC[C@H](C)C(=O)CSc1[nH+]cc2ccccn21 ZINC000089675341 388739417 /nfs/dbraw/zinc/73/94/17/388739417.db2.gz JMCNIYSILULLAM-JTQLQIEISA-N 1 2 248.351 3.042 20 0 BGADLO CC(C)c1cc(NC2CC2)nc(C(C)C)[nH+]1 ZINC000090065717 345564181 /nfs/dbraw/zinc/56/41/81/345564181.db2.gz DVYOUJYOYCOJJN-UHFFFAOYSA-N 1 2 219.332 3.298 20 0 BGADLO CC(C)c1cc(NCC(F)F)nc(C(C)C)[nH+]1 ZINC000090101935 345570574 /nfs/dbraw/zinc/57/05/74/345570574.db2.gz KLNIPNNCVLZNEO-UHFFFAOYSA-N 1 2 243.301 3.400 20 0 BGADLO Clc1ccc2c(c1)CN(c1cccc[nH+]1)CC2 ZINC000090142610 345571146 /nfs/dbraw/zinc/57/11/46/345571146.db2.gz RHNLHTXYQPNEAK-UHFFFAOYSA-N 1 2 244.725 3.298 20 0 BGADLO Cn1c[nH+]cc1CNc1cccc2ccccc21 ZINC000090153412 360059223 /nfs/dbraw/zinc/05/92/23/360059223.db2.gz IYBZFNJTMLHWKR-UHFFFAOYSA-N 1 2 237.306 3.185 20 0 BGADLO Cn1c[nH+]cc1CNc1ccc(C(C)(C)C)cc1 ZINC000090153422 384031568 /nfs/dbraw/zinc/03/15/68/384031568.db2.gz NIGQLJNMLYNDEA-UHFFFAOYSA-N 1 2 243.354 3.330 20 0 BGADLO CC(C)c1ccccc1NCc1c[nH+]cn1C ZINC000090153442 384032463 /nfs/dbraw/zinc/03/24/63/384032463.db2.gz LETDETXJKVNJEX-UHFFFAOYSA-N 1 2 229.327 3.156 20 0 BGADLO CC(C)c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000090153463 384033176 /nfs/dbraw/zinc/03/31/76/384033176.db2.gz VVLRCKSPMKKDME-UHFFFAOYSA-N 1 2 229.327 3.156 20 0 BGADLO CC(C)c1cccc(NCc2c[nH+]cn2C)c1 ZINC000090153528 167632743 /nfs/dbraw/zinc/63/27/43/167632743.db2.gz UHISBPKYDAQTSO-UHFFFAOYSA-N 1 2 229.327 3.156 20 0 BGADLO CCCCc1ccc(NCc2c[nH+]cn2C)cc1 ZINC000090153546 169022354 /nfs/dbraw/zinc/02/23/54/169022354.db2.gz WBYVLQKINDUUKL-UHFFFAOYSA-N 1 2 243.354 3.375 20 0 BGADLO Cn1c[nH+]cc1CNc1ccc2ccccc2c1 ZINC000090165426 644582757 /nfs/dbraw/zinc/58/27/57/644582757.db2.gz JDXWVOLIDPTDEX-UHFFFAOYSA-N 1 2 237.306 3.185 20 0 BGADLO Cn1c[nH+]cc1CNc1ccccc1C(C)(C)C ZINC000090165524 384033279 /nfs/dbraw/zinc/03/32/79/384033279.db2.gz BUVQLWUEWNJGOV-UHFFFAOYSA-N 1 2 243.354 3.330 20 0 BGADLO CCn1c[nH+]cc1CNc1cc(Cl)ccc1C ZINC000090169637 135546027 /nfs/dbraw/zinc/54/60/27/135546027.db2.gz GZXUEQWWQTWIJY-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1c[nH+]cc1CNc1ccc(C)cc1C ZINC000090169642 360060339 /nfs/dbraw/zinc/06/03/39/360060339.db2.gz PBEAUTSOGLLFAC-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1c[nH+]cc1CNc1cccc(SC)c1 ZINC000090169655 360060006 /nfs/dbraw/zinc/06/00/06/360060006.db2.gz FQYJYZPMSGBMID-UHFFFAOYSA-N 1 2 247.367 3.237 20 0 BGADLO CCn1c[nH+]cc1CNc1ccc(C)c(Cl)c1 ZINC000090169657 360060450 /nfs/dbraw/zinc/06/04/50/360060450.db2.gz XJEKHMDUTUGMNQ-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1c[nH+]cc1CNc1cccc(Cl)c1C ZINC000090169692 360060237 /nfs/dbraw/zinc/06/02/37/360060237.db2.gz TVVQBLCTHXPWAX-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1c[nH+]cc1CNc1ccc(SC)cc1 ZINC000090169707 360060067 /nfs/dbraw/zinc/06/00/67/360060067.db2.gz JWWHUOHWAZKJQD-UHFFFAOYSA-N 1 2 247.367 3.237 20 0 BGADLO CCn1c[nH+]cc1CNc1ccc2c(c1)CCC2 ZINC000090169765 360060093 /nfs/dbraw/zinc/06/00/93/360060093.db2.gz CARHFUNPLFTDQG-UHFFFAOYSA-N 1 2 241.338 3.004 20 0 BGADLO CCn1c[nH+]cc1CNc1ccc(C)c(C)c1 ZINC000090169797 360060181 /nfs/dbraw/zinc/06/01/81/360060181.db2.gz LKAGPQBYNMWMBZ-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1c[nH+]cc1CNc1cc(C)cc(C)c1 ZINC000090169814 360060088 /nfs/dbraw/zinc/06/00/88/360060088.db2.gz SKWYNPZATAOONM-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCc1ccc(NCc2c[nH+]cn2CC)cc1 ZINC000090169818 135546282 /nfs/dbraw/zinc/54/62/82/135546282.db2.gz CIHQGLWAIWSYAO-UHFFFAOYSA-N 1 2 229.327 3.078 20 0 BGADLO CCc1ccccc1NCc1c[nH+]cn1CC ZINC000090169821 360060360 /nfs/dbraw/zinc/06/03/60/360060360.db2.gz VCUZLVLXGFKVED-UHFFFAOYSA-N 1 2 229.327 3.078 20 0 BGADLO CCc1cccc(NCc2c[nH+]cn2CC)c1 ZINC000090169830 360060117 /nfs/dbraw/zinc/06/01/17/360060117.db2.gz UUPHVYHOJIVIFH-UHFFFAOYSA-N 1 2 229.327 3.078 20 0 BGADLO CCn1c[nH+]cc1CNc1cccc(C)c1C ZINC000090169842 360061442 /nfs/dbraw/zinc/06/14/42/360061442.db2.gz KITQMXAFGOYDFC-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1c[nH+]cc1CNc1cc(C)ccc1C ZINC000090169844 360060947 /nfs/dbraw/zinc/06/09/47/360060947.db2.gz VFAYTDWVEQEGFN-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1c[nH+]cc1CNc1ccc(Cl)cc1C ZINC000090169869 360061129 /nfs/dbraw/zinc/06/11/29/360061129.db2.gz OOALAUNJURQFDA-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCCc1ccc(NCc2c[nH+]cn2CC)cc1 ZINC000090169993 644582631 /nfs/dbraw/zinc/58/26/31/644582631.db2.gz VIQZHRFPCAABDZ-UHFFFAOYSA-N 1 2 243.354 3.468 20 0 BGADLO CCn1c[nH+]cc1CNc1ccc(C)cc1Cl ZINC000090170127 360061339 /nfs/dbraw/zinc/06/13/39/360061339.db2.gz KSDHQTOCTYAVTG-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1c[nH+]cc1CNc1ccccc1SC ZINC000090170524 360061526 /nfs/dbraw/zinc/06/15/26/360061526.db2.gz NBXPRHSYFIWFOW-UHFFFAOYSA-N 1 2 247.367 3.237 20 0 BGADLO CCCc1ccccc1NCc1c[nH+]cn1CC ZINC000090170655 360061210 /nfs/dbraw/zinc/06/12/10/360061210.db2.gz WSPDHVHBSGHVGI-UHFFFAOYSA-N 1 2 243.354 3.468 20 0 BGADLO CCn1c[nH+]cc1CNc1c(C)cc(C)cc1C ZINC000090172219 360061502 /nfs/dbraw/zinc/06/15/02/360061502.db2.gz MIDVMMXQWRPQAZ-UHFFFAOYSA-N 1 2 243.354 3.440 20 0 BGADLO Cc1ccc(CSCCn2cc[nH+]c2)cc1 ZINC000090199259 360063622 /nfs/dbraw/zinc/06/36/22/360063622.db2.gz XIDVCROKFVXPKJ-UHFFFAOYSA-N 1 2 232.352 3.125 20 0 BGADLO c1cn(CCSCCCc2ccccc2)c[nH+]1 ZINC000090199404 183391862 /nfs/dbraw/zinc/39/18/62/183391862.db2.gz VBGRQYHRSPTGRU-UHFFFAOYSA-N 1 2 246.379 3.249 20 0 BGADLO C(=C/c1ccccc1)\CSCCn1cc[nH+]c1 ZINC000090199437 360063670 /nfs/dbraw/zinc/06/36/70/360063670.db2.gz SGQZXYHYFYPBBW-QPJJXVBHSA-N 1 2 244.363 3.330 20 0 BGADLO Cc1cccc(CSCCn2cc[nH+]c2)c1 ZINC000090199484 388745701 /nfs/dbraw/zinc/74/57/01/388745701.db2.gz JCNXEPQQTYQXTR-UHFFFAOYSA-N 1 2 232.352 3.125 20 0 BGADLO Cc1cc(C)cc(CSCCn2cc[nH+]c2)c1 ZINC000090199488 360063681 /nfs/dbraw/zinc/06/36/81/360063681.db2.gz GTVIHOIGMOMCKG-UHFFFAOYSA-N 1 2 246.379 3.433 20 0 BGADLO C[C@H](SCCn1cc[nH+]c1)c1ccccc1 ZINC000090199500 177026831 /nfs/dbraw/zinc/02/68/31/177026831.db2.gz XZDYNOOTPUESGH-LBPRGKRZSA-N 1 2 232.352 3.378 20 0 BGADLO C[C@@H](SCCn1cc[nH+]c1)c1ccccc1 ZINC000090199501 176008340 /nfs/dbraw/zinc/00/83/40/176008340.db2.gz XZDYNOOTPUESGH-GFCCVEGCSA-N 1 2 232.352 3.378 20 0 BGADLO CCc1ccc(CSCCn2cc[nH+]c2)cc1 ZINC000090201421 325675361 /nfs/dbraw/zinc/67/53/61/325675361.db2.gz SIPFTJOKLGECRD-UHFFFAOYSA-N 1 2 246.379 3.379 20 0 BGADLO Cc1cccc(C)c1CSCCn1cc[nH+]c1 ZINC000090201567 345566912 /nfs/dbraw/zinc/56/69/12/345566912.db2.gz YWMHDCIVFOZJNB-UHFFFAOYSA-N 1 2 246.379 3.433 20 0 BGADLO c1cn(CCSCC2CCCCC2)c[nH+]1 ZINC000090201694 384035846 /nfs/dbraw/zinc/03/58/46/384035846.db2.gz QAVIZCAWOADTDH-UHFFFAOYSA-N 1 2 224.373 3.197 20 0 BGADLO Cc1cccc(NCc2c[nH+]cn2C(C)C)c1 ZINC000090207454 360063423 /nfs/dbraw/zinc/06/34/23/360063423.db2.gz IAORYEIJTZFKDS-UHFFFAOYSA-N 1 2 229.327 3.385 20 0 BGADLO COc1ccccc1NCc1c[nH+]cn1C(C)C ZINC000090207471 360064828 /nfs/dbraw/zinc/06/48/28/360064828.db2.gz VCOUQTRDUCGNAP-UHFFFAOYSA-N 1 2 245.326 3.085 20 0 BGADLO CC(C)n1c[nH+]cc1CNc1cccc(F)c1 ZINC000090207543 360065037 /nfs/dbraw/zinc/06/50/37/360065037.db2.gz CFRHHEDCDQQSNC-UHFFFAOYSA-N 1 2 233.290 3.215 20 0 BGADLO CC(C)n1c[nH+]cc1CNc1ccc(F)cc1 ZINC000090207550 360064865 /nfs/dbraw/zinc/06/48/65/360064865.db2.gz IPZMNTPBYWVOME-UHFFFAOYSA-N 1 2 233.290 3.215 20 0 BGADLO CC(C)n1c[nH+]cc1CNc1ccccc1F ZINC000090207554 360064504 /nfs/dbraw/zinc/06/45/04/360064504.db2.gz LRBMGPKUBMLMOX-UHFFFAOYSA-N 1 2 233.290 3.215 20 0 BGADLO COc1cccc(NCc2c[nH+]cn2C(C)C)c1 ZINC000090207582 360064663 /nfs/dbraw/zinc/06/46/63/360064663.db2.gz MQPODVZUFTVBGY-UHFFFAOYSA-N 1 2 245.326 3.085 20 0 BGADLO Cc1ccc(NCc2c[nH+]cn2C(C)C)cc1 ZINC000090207584 360065100 /nfs/dbraw/zinc/06/51/00/360065100.db2.gz OSWABIFBEJBKOI-UHFFFAOYSA-N 1 2 229.327 3.385 20 0 BGADLO COc1ccc(NCc2c[nH+]cn2C(C)C)cc1 ZINC000090207586 631524769 /nfs/dbraw/zinc/52/47/69/631524769.db2.gz HMMNSEPRQBKRAC-UHFFFAOYSA-N 1 2 245.326 3.085 20 0 BGADLO Cc1ccccc1NCc1c[nH+]cn1C(C)C ZINC000090207588 360064485 /nfs/dbraw/zinc/06/44/85/360064485.db2.gz AIFUBBOPHHJJGF-UHFFFAOYSA-N 1 2 229.327 3.385 20 0 BGADLO CCSCc1cc[nH+]c(NCc2cc[nH]c2)c1 ZINC000090228599 384034701 /nfs/dbraw/zinc/03/47/01/384034701.db2.gz GHIBNZKSJWMTCA-UHFFFAOYSA-N 1 2 247.367 3.275 20 0 BGADLO Cn1c[nH+]cc1COc1ccc(C(C)(C)C)cc1 ZINC000090233689 384035075 /nfs/dbraw/zinc/03/50/75/384035075.db2.gz DLXCPOVJNOABIH-UHFFFAOYSA-N 1 2 244.338 3.297 20 0 BGADLO CC(C)c1ccc(OCc2c[nH+]cn2C)cc1 ZINC000090233691 384036348 /nfs/dbraw/zinc/03/63/48/384036348.db2.gz BJOBRPHRBVAQDG-UHFFFAOYSA-N 1 2 230.311 3.123 20 0 BGADLO CC(C)c1ccccc1OCc1c[nH+]cn1C ZINC000090233693 384034534 /nfs/dbraw/zinc/03/45/34/384034534.db2.gz LXENZEYCJPKVMP-UHFFFAOYSA-N 1 2 230.311 3.123 20 0 BGADLO Cn1c[nH+]cc1COc1ccccc1C(C)(C)C ZINC000090233695 384037103 /nfs/dbraw/zinc/03/71/03/384037103.db2.gz AKRUYIWSJHSHAA-UHFFFAOYSA-N 1 2 244.338 3.297 20 0 BGADLO Cn1c[nH+]cc1COc1cccc2ccccc21 ZINC000090233697 360067365 /nfs/dbraw/zinc/06/73/65/360067365.db2.gz GZQXTMJUDIZCCV-UHFFFAOYSA-N 1 2 238.290 3.152 20 0 BGADLO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccco1 ZINC000090460105 384051266 /nfs/dbraw/zinc/05/12/66/384051266.db2.gz PIJBKLQYDOXQER-VIFPVBQESA-N 1 2 248.351 3.464 20 0 BGADLO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccco1 ZINC000090460108 384051630 /nfs/dbraw/zinc/05/16/30/384051630.db2.gz PIJBKLQYDOXQER-SECBINFHSA-N 1 2 248.351 3.464 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)c1ccc(Cl)cc1 ZINC000090486485 387200011 /nfs/dbraw/zinc/20/00/11/387200011.db2.gz FRBLNGJLILIRHQ-UHFFFAOYSA-N 1 2 246.697 3.296 20 0 BGADLO CCc1ccc([C@@H](C)[NH2+]Cc2ncccc2F)o1 ZINC000090721437 345574454 /nfs/dbraw/zinc/57/44/54/345574454.db2.gz GMJQNTJHPOZYQO-SNVBAGLBSA-N 1 2 248.301 3.227 20 0 BGADLO CCc1ccc([C@H](C)[NH2+]Cc2ncccc2F)o1 ZINC000090721439 345574532 /nfs/dbraw/zinc/57/45/32/345574532.db2.gz GMJQNTJHPOZYQO-JTQLQIEISA-N 1 2 248.301 3.227 20 0 BGADLO Cc1nc(C[NH2+][C@@H](C)c2ccccn2)c(C)s1 ZINC000090888824 345572296 /nfs/dbraw/zinc/57/22/96/345572296.db2.gz GRIOEMWJJVXANH-VIFPVBQESA-N 1 2 247.367 3.006 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2ccccn2)c(C)s1 ZINC000090888825 345571873 /nfs/dbraw/zinc/57/18/73/345571873.db2.gz GRIOEMWJJVXANH-SECBINFHSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCc1cc[nH]c1 ZINC000090994351 178095443 /nfs/dbraw/zinc/09/54/43/178095443.db2.gz RINKRMNCXJMFSI-UHFFFAOYSA-N 1 2 229.327 3.001 20 0 BGADLO c1cc(CNc2ccc([NH+]3CCCC3)cc2)c[nH]1 ZINC000090994588 183353860 /nfs/dbraw/zinc/35/38/60/183353860.db2.gz CJTSXRYISAOHJS-UHFFFAOYSA-N 1 2 241.338 3.227 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCc1ccn(C)c1 ZINC000091007523 631534995 /nfs/dbraw/zinc/53/49/95/631534995.db2.gz XYWYDASCUYSFJT-UHFFFAOYSA-N 1 2 243.354 3.012 20 0 BGADLO CC[C@@H](CSC)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000091022824 345580765 /nfs/dbraw/zinc/58/07/65/345580765.db2.gz IDFOZLINCRVJKO-JTQLQIEISA-N 1 2 249.383 3.141 20 0 BGADLO CC[C@H](CSC)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000091022825 345580942 /nfs/dbraw/zinc/58/09/42/345580942.db2.gz IDFOZLINCRVJKO-SNVBAGLBSA-N 1 2 249.383 3.141 20 0 BGADLO Cc1cc(NC(=O)NC2(C)CCCCC2)cc[nH+]1 ZINC000091187231 191002927 /nfs/dbraw/zinc/00/29/27/191002927.db2.gz LUYJGNYVIDQMOD-UHFFFAOYSA-N 1 2 247.342 3.234 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)NC1(C)CCCCC1 ZINC000091187263 191002948 /nfs/dbraw/zinc/00/29/48/191002948.db2.gz UFZIWAPAKJZYGF-UHFFFAOYSA-N 1 2 247.342 3.234 20 0 BGADLO c1ccc(N2CCC[C@@H]2C2CCCC2)[nH+]c1 ZINC000091455879 344281199 /nfs/dbraw/zinc/28/11/99/344281199.db2.gz CVMYIKSLSMTPFH-CYBMUJFWSA-N 1 2 216.328 3.241 20 0 BGADLO c1ccc(N2CCC[C@H]2C2CCCC2)[nH+]c1 ZINC000091455881 345592690 /nfs/dbraw/zinc/59/26/90/345592690.db2.gz CVMYIKSLSMTPFH-ZDUSSCGKSA-N 1 2 216.328 3.241 20 0 BGADLO Cc1[nH+]cccc1NCc1ccc(F)cc1F ZINC000091495317 388765094 /nfs/dbraw/zinc/76/50/94/388765094.db2.gz QBAVVNQFFHKIEM-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1[nH+]cccc1NCc1cccc(F)c1F ZINC000091495446 388765398 /nfs/dbraw/zinc/76/53/98/388765398.db2.gz AQXJAERUDWWFQA-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1[nH+]cccc1NCc1cccc2[nH]ccc21 ZINC000091495450 360117020 /nfs/dbraw/zinc/11/70/20/360117020.db2.gz LUVDDIGUYXMBCK-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO COc1ccccc1CNc1ccc[nH+]c1C ZINC000091495495 360117527 /nfs/dbraw/zinc/11/75/27/360117527.db2.gz AWOLMRPAGYKRIH-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO Cc1[nH+]cccc1NCc1cc(F)ccc1F ZINC000091495595 360117047 /nfs/dbraw/zinc/11/70/47/360117047.db2.gz BZPCINNIBLBTTF-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO CCOc1cccc(CNc2ccc[nH+]c2C)c1 ZINC000091495618 360117490 /nfs/dbraw/zinc/11/74/90/360117490.db2.gz UKRVFFQCYDGPPZ-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO Cc1ccc(CNc2ccc[nH+]c2C)cc1F ZINC000091495719 360117150 /nfs/dbraw/zinc/11/71/50/360117150.db2.gz HQVAOSVJNUDIKC-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1cc(CNc2ccc[nH+]c2C)cc(C)c1O ZINC000091495723 178044087 /nfs/dbraw/zinc/04/40/87/178044087.db2.gz ZBKREACHUAZDCZ-UHFFFAOYSA-N 1 2 242.322 3.325 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)CCc1ccco1 ZINC000091495742 388765415 /nfs/dbraw/zinc/76/54/15/388765415.db2.gz PGBLJLJORHEEFW-NSHDSACASA-N 1 2 230.311 3.416 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)CCc1ccco1 ZINC000091495743 325687143 /nfs/dbraw/zinc/68/71/43/325687143.db2.gz PGBLJLJORHEEFW-LLVKDONJSA-N 1 2 230.311 3.416 20 0 BGADLO Cc1cc(CNc2ccc[nH+]c2C)ccc1F ZINC000091495748 360118366 /nfs/dbraw/zinc/11/83/66/360118366.db2.gz ZMYXPTPOADZJQN-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO COCc1ccc(CNc2ccc[nH+]c2C)cc1 ZINC000091495787 174626944 /nfs/dbraw/zinc/62/69/44/174626944.db2.gz VPRMUMMJUQCMRY-UHFFFAOYSA-N 1 2 242.322 3.149 20 0 BGADLO COCc1cccc(CNc2ccc[nH+]c2C)c1 ZINC000091495801 174631409 /nfs/dbraw/zinc/63/14/09/174631409.db2.gz VZIZYZNJESGTMA-UHFFFAOYSA-N 1 2 242.322 3.149 20 0 BGADLO COc1ccc(C)cc1CNc1ccc[nH+]c1C ZINC000091495813 360118232 /nfs/dbraw/zinc/11/82/32/360118232.db2.gz ANBVZRRWEHWLPZ-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO CCOc1ccc(CNc2ccc[nH+]c2C)cc1 ZINC000091495825 360118731 /nfs/dbraw/zinc/11/87/31/360118731.db2.gz FMFBRJCNCZQSDW-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO COc1ccc(CNc2ccc[nH+]c2C)cc1F ZINC000091495890 360118816 /nfs/dbraw/zinc/11/88/16/360118816.db2.gz AGFXTXXEPYPXEX-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO Cc1[nH+]cccc1NCc1ccc(F)c(F)c1 ZINC000091495980 360118437 /nfs/dbraw/zinc/11/84/37/360118437.db2.gz MSDZZFIQIPMWGF-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO CCO[C@@H]1C[C@H](Nc2ccc[nH+]c2C)C12CCC2 ZINC000091496016 535518230 /nfs/dbraw/zinc/51/82/30/535518230.db2.gz CLYRXKAOVCPABV-UONOGXRCSA-N 1 2 246.354 3.150 20 0 BGADLO CCO[C@H]1C[C@H](Nc2ccc[nH+]c2C)C12CCC2 ZINC000091496017 360118247 /nfs/dbraw/zinc/11/82/47/360118247.db2.gz CLYRXKAOVCPABV-KBPBESRZSA-N 1 2 246.354 3.150 20 0 BGADLO CCO[C@@H]1C[C@@H](Nc2ccc[nH+]c2C)C12CCC2 ZINC000091496018 360118755 /nfs/dbraw/zinc/11/87/55/360118755.db2.gz CLYRXKAOVCPABV-ZIAGYGMSSA-N 1 2 246.354 3.150 20 0 BGADLO CCO[C@H]1C[C@@H](Nc2ccc[nH+]c2C)C12CCC2 ZINC000091496019 360118598 /nfs/dbraw/zinc/11/85/98/360118598.db2.gz CLYRXKAOVCPABV-KGLIPLIRSA-N 1 2 246.354 3.150 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CCc2ccccc2C1 ZINC000091496042 384131697 /nfs/dbraw/zinc/13/16/97/384131697.db2.gz KOBSSIBQHJGANQ-OAHLLOKOSA-N 1 2 238.334 3.359 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CCc2ccccc2C1 ZINC000091496043 383976210 /nfs/dbraw/zinc/97/62/10/383976210.db2.gz KOBSSIBQHJGANQ-HNNXBMFYSA-N 1 2 238.334 3.359 20 0 BGADLO COc1ccc(CNc2ccc[nH+]c2C)cc1C ZINC000091496083 490355472 /nfs/dbraw/zinc/35/54/72/490355472.db2.gz UJVXCTNSZMQVPG-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1cc(F)cc(N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000091509994 360118468 /nfs/dbraw/zinc/11/84/68/360118468.db2.gz HQEFLVKVZWKGPL-JTQLQIEISA-N 1 2 233.290 3.041 20 0 BGADLO Cc1cc(F)cc(N[C@H](C)c2[nH+]ccn2C)c1 ZINC000091509996 360118347 /nfs/dbraw/zinc/11/83/47/360118347.db2.gz HQEFLVKVZWKGPL-SNVBAGLBSA-N 1 2 233.290 3.041 20 0 BGADLO CCc1ccc(NCc2[nH+]ccn2C)cc1CC ZINC000091551346 345597167 /nfs/dbraw/zinc/59/71/67/345597167.db2.gz OUMISNJJOSHIMJ-UHFFFAOYSA-N 1 2 243.354 3.157 20 0 BGADLO CCc1ccc(C[N@@H+](C)Cc2c(C)noc2C)o1 ZINC000091812666 644640798 /nfs/dbraw/zinc/64/07/98/644640798.db2.gz ZNXMAMRPBHZGGF-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1ccc(C[N@H+](C)Cc2c(C)noc2C)o1 ZINC000091812666 644640794 /nfs/dbraw/zinc/64/07/94/644640794.db2.gz ZNXMAMRPBHZGGF-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO C#CC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091841173 644640032 /nfs/dbraw/zinc/64/00/32/644640032.db2.gz XUUXVSXMOCBKIR-UHFFFAOYSA-N 1 2 231.726 3.062 20 0 BGADLO C#CC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000091841173 644640030 /nfs/dbraw/zinc/64/00/30/644640030.db2.gz XUUXVSXMOCBKIR-UHFFFAOYSA-N 1 2 231.726 3.062 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCOC(C)(C)C2)o1 ZINC000091917682 360136601 /nfs/dbraw/zinc/13/66/01/360136601.db2.gz QRCIRSZHHOHNSP-YPMHNXCESA-N 1 2 249.354 3.014 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOC(C)(C)C2)o1 ZINC000091917682 360136600 /nfs/dbraw/zinc/13/66/00/360136600.db2.gz QRCIRSZHHOHNSP-YPMHNXCESA-N 1 2 249.354 3.014 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCOC(C)(C)C2)o1 ZINC000091917684 360136638 /nfs/dbraw/zinc/13/66/38/360136638.db2.gz QRCIRSZHHOHNSP-AAEUAGOBSA-N 1 2 249.354 3.014 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOC(C)(C)C2)o1 ZINC000091917684 360136636 /nfs/dbraw/zinc/13/66/36/360136636.db2.gz QRCIRSZHHOHNSP-AAEUAGOBSA-N 1 2 249.354 3.014 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCOC(C)(C)C2)o1 ZINC000091917687 135566936 /nfs/dbraw/zinc/56/69/36/135566936.db2.gz QRCIRSZHHOHNSP-DGCLKSJQSA-N 1 2 249.354 3.014 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCOC(C)(C)C2)o1 ZINC000091917687 135566934 /nfs/dbraw/zinc/56/69/34/135566934.db2.gz QRCIRSZHHOHNSP-DGCLKSJQSA-N 1 2 249.354 3.014 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCOC(C)(C)C2)o1 ZINC000091917689 360136435 /nfs/dbraw/zinc/13/64/35/360136435.db2.gz QRCIRSZHHOHNSP-WCQYABFASA-N 1 2 249.354 3.014 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCOC(C)(C)C2)o1 ZINC000091917689 360136433 /nfs/dbraw/zinc/13/64/33/360136433.db2.gz QRCIRSZHHOHNSP-WCQYABFASA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1COCC[N@H+]1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000091981264 360139770 /nfs/dbraw/zinc/13/97/70/360139770.db2.gz AFPQJNGVAIRNFA-OUCADQQQSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000091981264 360139768 /nfs/dbraw/zinc/13/97/68/360139768.db2.gz AFPQJNGVAIRNFA-OUCADQQQSA-N 1 2 249.354 3.014 20 0 BGADLO C[C@@H](c1ccncc1)[N@@H+](C)C/C(Cl)=C/Cl ZINC000091990437 176034616 /nfs/dbraw/zinc/03/46/16/176034616.db2.gz UKFCSEJFBXYXRG-MKVDPYIPSA-N 1 2 245.153 3.393 20 0 BGADLO C[C@@H](c1ccncc1)[N@H+](C)C/C(Cl)=C/Cl ZINC000091990437 176034614 /nfs/dbraw/zinc/03/46/14/176034614.db2.gz UKFCSEJFBXYXRG-MKVDPYIPSA-N 1 2 245.153 3.393 20 0 BGADLO C[C@H](c1ccncc1)[N@@H+](C)C/C(Cl)=C/Cl ZINC000091990442 177050459 /nfs/dbraw/zinc/05/04/59/177050459.db2.gz UKFCSEJFBXYXRG-MDXIRLPMSA-N 1 2 245.153 3.393 20 0 BGADLO C[C@H](c1ccncc1)[N@H+](C)C/C(Cl)=C/Cl ZINC000091990442 177050458 /nfs/dbraw/zinc/05/04/58/177050458.db2.gz UKFCSEJFBXYXRG-MDXIRLPMSA-N 1 2 245.153 3.393 20 0 BGADLO Cc1[nH]ncc1C[NH+]1CCC(CCC(C)C)CC1 ZINC000092012885 360145714 /nfs/dbraw/zinc/14/57/14/360145714.db2.gz CIBCEYBTOGSDTN-UHFFFAOYSA-N 1 2 249.402 3.366 20 0 BGADLO Cc1cc(NC(=O)N2C[C@H](C)CC[C@@H]2C)cc[nH+]1 ZINC000092101582 411269007 /nfs/dbraw/zinc/26/90/07/411269007.db2.gz NTMAEVKILUAEFV-PWSUYJOCSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(NC(=O)N2C[C@@H](C)CC[C@@H]2C)cc[nH+]1 ZINC000092101584 411268671 /nfs/dbraw/zinc/26/86/71/411268671.db2.gz NTMAEVKILUAEFV-JQWIXIFHSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(NC(=O)N2C[C@H](C)CC[C@H]2C)cc[nH+]1 ZINC000092101592 411268738 /nfs/dbraw/zinc/26/87/38/411268738.db2.gz NTMAEVKILUAEFV-ZYHUDNBSSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(NC(=O)N2C[C@@H](C)CC[C@H]2C)cc[nH+]1 ZINC000092101604 411268655 /nfs/dbraw/zinc/26/86/55/411268655.db2.gz NTMAEVKILUAEFV-CMPLNLGQSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(NC(=O)N2CC[C@@H](C)C[C@H]2C)cc[nH+]1 ZINC000092101644 345616088 /nfs/dbraw/zinc/61/60/88/345616088.db2.gz SXFXREBJIZZPTG-ZYHUDNBSSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000092101669 411268708 /nfs/dbraw/zinc/26/87/08/411268708.db2.gz YLFDCNNJCQQAGQ-PWSUYJOCSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000092101670 411268772 /nfs/dbraw/zinc/26/87/72/411268772.db2.gz YLFDCNNJCQQAGQ-JQWIXIFHSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)CC[C@H]1C ZINC000092101671 411268875 /nfs/dbraw/zinc/26/88/75/411268875.db2.gz YLFDCNNJCQQAGQ-ZYHUDNBSSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000092101673 411268628 /nfs/dbraw/zinc/26/86/28/411268628.db2.gz YLFDCNNJCQQAGQ-CMPLNLGQSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](C)C[C@H]1C ZINC000092101708 345616317 /nfs/dbraw/zinc/61/63/17/345616317.db2.gz VPGDOQCXSPWJCM-ZYHUDNBSSA-N 1 2 247.342 3.042 20 0 BGADLO Fc1cc(F)c(C[NH+]2CCCCC2)cc1F ZINC000092107422 388786177 /nfs/dbraw/zinc/78/61/77/388786177.db2.gz MPNYSECOGGABTI-UHFFFAOYSA-N 1 2 229.245 3.090 20 0 BGADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cscn1 ZINC000092223860 345608506 /nfs/dbraw/zinc/60/85/06/345608506.db2.gz JOYAPWASWMTDDM-ZDUSSCGKSA-N 1 2 247.367 3.121 20 0 BGADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1cscn1 ZINC000092223860 345608502 /nfs/dbraw/zinc/60/85/02/345608502.db2.gz JOYAPWASWMTDDM-ZDUSSCGKSA-N 1 2 247.367 3.121 20 0 BGADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cscn1 ZINC000092223861 345608217 /nfs/dbraw/zinc/60/82/17/345608217.db2.gz JOYAPWASWMTDDM-CYBMUJFWSA-N 1 2 247.367 3.121 20 0 BGADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cscn1 ZINC000092223861 345608213 /nfs/dbraw/zinc/60/82/13/345608213.db2.gz JOYAPWASWMTDDM-CYBMUJFWSA-N 1 2 247.367 3.121 20 0 BGADLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nccs1 ZINC000092224131 344290724 /nfs/dbraw/zinc/29/07/24/344290724.db2.gz QBAKFTUOGJPWDY-LBPRGKRZSA-N 1 2 247.367 3.121 20 0 BGADLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nccs1 ZINC000092224131 344290721 /nfs/dbraw/zinc/29/07/21/344290721.db2.gz QBAKFTUOGJPWDY-LBPRGKRZSA-N 1 2 247.367 3.121 20 0 BGADLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1nccs1 ZINC000092224132 384169182 /nfs/dbraw/zinc/16/91/82/384169182.db2.gz QBAKFTUOGJPWDY-GFCCVEGCSA-N 1 2 247.367 3.121 20 0 BGADLO CC[C@H](c1ccncc1)[N@H+](C)Cc1nccs1 ZINC000092224132 384169178 /nfs/dbraw/zinc/16/91/78/384169178.db2.gz QBAKFTUOGJPWDY-GFCCVEGCSA-N 1 2 247.367 3.121 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2cccc(C)c2C)no1 ZINC000092254289 360158778 /nfs/dbraw/zinc/15/87/78/360158778.db2.gz BYNDYYYNBFEBLE-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2cccc(C)c2C)no1 ZINC000092254289 360158775 /nfs/dbraw/zinc/15/87/75/360158775.db2.gz BYNDYYYNBFEBLE-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2ccc(F)c(C)c2)no1 ZINC000092254309 384170631 /nfs/dbraw/zinc/17/06/31/384170631.db2.gz CSSKQMJAQQQZAM-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2ccc(F)c(C)c2)no1 ZINC000092254309 384170628 /nfs/dbraw/zinc/17/06/28/384170628.db2.gz CSSKQMJAQQQZAM-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2ccc(F)cc2C)no1 ZINC000092254426 384170614 /nfs/dbraw/zinc/17/06/14/384170614.db2.gz FKQBYRAUQOSEQG-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2ccc(F)cc2C)no1 ZINC000092254426 384170610 /nfs/dbraw/zinc/17/06/10/384170610.db2.gz FKQBYRAUQOSEQG-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2ccc(C)c(C)c2)no1 ZINC000092254608 384170995 /nfs/dbraw/zinc/17/09/95/384170995.db2.gz QVFAEXRHKDQKAB-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2ccc(C)c(C)c2)no1 ZINC000092254608 384170982 /nfs/dbraw/zinc/17/09/82/384170982.db2.gz QVFAEXRHKDQKAB-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2ccc(C)c(F)c2)no1 ZINC000092254988 344291540 /nfs/dbraw/zinc/29/15/40/344291540.db2.gz DKDKFPCUUSUBOG-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2ccc(C)c(F)c2)no1 ZINC000092254988 344291537 /nfs/dbraw/zinc/29/15/37/344291537.db2.gz DKDKFPCUUSUBOG-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO C[C@@H]1CCC[C@H](CSCCn2cc[nH+]c2)C1 ZINC000092338817 360163785 /nfs/dbraw/zinc/16/37/85/360163785.db2.gz KNRBTRIFRVOPON-OLZOCXBDSA-N 1 2 238.400 3.443 20 0 BGADLO C[C@H]1CCC[C@H](CSCCn2cc[nH+]c2)C1 ZINC000092338818 135574674 /nfs/dbraw/zinc/57/46/74/135574674.db2.gz KNRBTRIFRVOPON-STQMWFEESA-N 1 2 238.400 3.443 20 0 BGADLO C[C@@H]1CCC[C@@H](CSCCn2cc[nH+]c2)C1 ZINC000092338819 360163731 /nfs/dbraw/zinc/16/37/31/360163731.db2.gz KNRBTRIFRVOPON-CHWSQXEVSA-N 1 2 238.400 3.443 20 0 BGADLO C[C@H]1CCC[C@@H](CSCCn2cc[nH+]c2)C1 ZINC000092338820 360163631 /nfs/dbraw/zinc/16/36/31/360163631.db2.gz KNRBTRIFRVOPON-QWHCGFSZSA-N 1 2 238.400 3.443 20 0 BGADLO CC[C@H]([NH2+]Cc1cccc(C)n1)c1nccs1 ZINC000092428866 360171486 /nfs/dbraw/zinc/17/14/86/360171486.db2.gz QBAQCKCGWBNANA-LBPRGKRZSA-N 1 2 247.367 3.087 20 0 BGADLO CC[C@@H]([NH2+]Cc1cccc(C)n1)c1nccs1 ZINC000092428870 360171835 /nfs/dbraw/zinc/17/18/35/360171835.db2.gz QBAQCKCGWBNANA-GFCCVEGCSA-N 1 2 247.367 3.087 20 0 BGADLO Cc1csc([C@H](C)[NH2+]Cc2cccc(C)n2)n1 ZINC000092428872 360171947 /nfs/dbraw/zinc/17/19/47/360171947.db2.gz UCNKOTZHAFDIPG-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1csc([C@@H](C)[NH2+]Cc2cccc(C)n2)n1 ZINC000092428875 360171843 /nfs/dbraw/zinc/17/18/43/360171843.db2.gz UCNKOTZHAFDIPG-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO C[C@@H](c1ccco1)[N@@H+](Cc1cncs1)C1CC1 ZINC000092483433 176033271 /nfs/dbraw/zinc/03/32/71/176033271.db2.gz BHYMKWJQKQOGBO-JTQLQIEISA-N 1 2 248.351 3.462 20 0 BGADLO C[C@@H](c1ccco1)[N@H+](Cc1cncs1)C1CC1 ZINC000092483433 176033270 /nfs/dbraw/zinc/03/32/70/176033270.db2.gz BHYMKWJQKQOGBO-JTQLQIEISA-N 1 2 248.351 3.462 20 0 BGADLO C[C@H](c1ccco1)[N@@H+](Cc1cncs1)C1CC1 ZINC000092483436 177048697 /nfs/dbraw/zinc/04/86/97/177048697.db2.gz BHYMKWJQKQOGBO-SNVBAGLBSA-N 1 2 248.351 3.462 20 0 BGADLO C[C@H](c1ccco1)[N@H+](Cc1cncs1)C1CC1 ZINC000092483436 177048695 /nfs/dbraw/zinc/04/86/95/177048695.db2.gz BHYMKWJQKQOGBO-SNVBAGLBSA-N 1 2 248.351 3.462 20 0 BGADLO Cc1cc(C)c(C[N@@H+](C)CC(F)F)cc1C ZINC000092508785 384197739 /nfs/dbraw/zinc/19/77/39/384197739.db2.gz QOPRBAXMIMCKAX-UHFFFAOYSA-N 1 2 227.298 3.309 20 0 BGADLO Cc1cc(C)c(C[N@H+](C)CC(F)F)cc1C ZINC000092508785 384197732 /nfs/dbraw/zinc/19/77/32/384197732.db2.gz QOPRBAXMIMCKAX-UHFFFAOYSA-N 1 2 227.298 3.309 20 0 BGADLO C#CC[N@@H+](Cc1ccoc1)Cc1ccc(F)cc1 ZINC000092541645 644661962 /nfs/dbraw/zinc/66/19/62/644661962.db2.gz KWIQLBFMHWATAV-UHFFFAOYSA-N 1 2 243.281 3.054 20 0 BGADLO C#CC[N@H+](Cc1ccoc1)Cc1ccc(F)cc1 ZINC000092541645 644661959 /nfs/dbraw/zinc/66/19/59/644661959.db2.gz KWIQLBFMHWATAV-UHFFFAOYSA-N 1 2 243.281 3.054 20 0 BGADLO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)o1 ZINC000092728832 398305339 /nfs/dbraw/zinc/30/53/39/398305339.db2.gz RQEZRSUBOYRDIP-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)o1 ZINC000092728832 398305338 /nfs/dbraw/zinc/30/53/38/398305338.db2.gz RQEZRSUBOYRDIP-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)o1 ZINC000092728834 384191338 /nfs/dbraw/zinc/19/13/38/384191338.db2.gz RQEZRSUBOYRDIP-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)o1 ZINC000092728834 384191332 /nfs/dbraw/zinc/19/13/32/384191332.db2.gz RQEZRSUBOYRDIP-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccoc1C[N@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000092729679 384191733 /nfs/dbraw/zinc/19/17/33/384191733.db2.gz HMTBUHDMUXJBIG-GFCCVEGCSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccoc1C[N@@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000092729679 384191726 /nfs/dbraw/zinc/19/17/26/384191726.db2.gz HMTBUHDMUXJBIG-GFCCVEGCSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccoc1C[N@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000092729681 384192015 /nfs/dbraw/zinc/19/20/15/384192015.db2.gz HMTBUHDMUXJBIG-LBPRGKRZSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccoc1C[N@@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000092729681 384192013 /nfs/dbraw/zinc/19/20/13/384192013.db2.gz HMTBUHDMUXJBIG-LBPRGKRZSA-N 1 2 245.326 3.038 20 0 BGADLO c1csc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729931 384192057 /nfs/dbraw/zinc/19/20/57/384192057.db2.gz HVMJNIRRPABLNU-GFCCVEGCSA-N 1 2 247.367 3.198 20 0 BGADLO c1csc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000092729931 384192055 /nfs/dbraw/zinc/19/20/55/384192055.db2.gz HVMJNIRRPABLNU-GFCCVEGCSA-N 1 2 247.367 3.198 20 0 BGADLO c1csc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092729933 384191830 /nfs/dbraw/zinc/19/18/30/384191830.db2.gz HVMJNIRRPABLNU-LBPRGKRZSA-N 1 2 247.367 3.198 20 0 BGADLO c1csc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000092729933 384191824 /nfs/dbraw/zinc/19/18/24/384191824.db2.gz HVMJNIRRPABLNU-LBPRGKRZSA-N 1 2 247.367 3.198 20 0 BGADLO c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2ccsc2)n1 ZINC000092729939 183326665 /nfs/dbraw/zinc/32/66/65/183326665.db2.gz DWIRYMGLNPQNCO-GFCCVEGCSA-N 1 2 247.367 3.198 20 0 BGADLO c1c[nH]c([C@H]2CCCC[N@H+]2Cc2ccsc2)n1 ZINC000092729939 183326663 /nfs/dbraw/zinc/32/66/63/183326663.db2.gz DWIRYMGLNPQNCO-GFCCVEGCSA-N 1 2 247.367 3.198 20 0 BGADLO c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2ccsc2)n1 ZINC000092729941 183327443 /nfs/dbraw/zinc/32/74/43/183327443.db2.gz DWIRYMGLNPQNCO-LBPRGKRZSA-N 1 2 247.367 3.198 20 0 BGADLO c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2ccsc2)n1 ZINC000092729941 183327442 /nfs/dbraw/zinc/32/74/42/183327442.db2.gz DWIRYMGLNPQNCO-LBPRGKRZSA-N 1 2 247.367 3.198 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)CCC1CCCCC1 ZINC000092784488 360195657 /nfs/dbraw/zinc/19/56/57/360195657.db2.gz NDPDEEGTOOYLJU-UHFFFAOYSA-N 1 2 235.375 3.120 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)CCC1CCCCC1 ZINC000092784488 360195654 /nfs/dbraw/zinc/19/56/54/360195654.db2.gz NDPDEEGTOOYLJU-UHFFFAOYSA-N 1 2 235.375 3.120 20 0 BGADLO C[C@@H]1CCC[C@H](C[N@@H+](C)CC(F)F)C1 ZINC000092796092 344303798 /nfs/dbraw/zinc/30/37/98/344303798.db2.gz HBLOATDPAIIIIH-ZJUUUORDSA-N 1 2 205.292 3.010 20 0 BGADLO C[C@@H]1CCC[C@H](C[N@H+](C)CC(F)F)C1 ZINC000092796092 344303796 /nfs/dbraw/zinc/30/37/96/344303796.db2.gz HBLOATDPAIIIIH-ZJUUUORDSA-N 1 2 205.292 3.010 20 0 BGADLO C[C@H]1CCC[C@H](C[N@@H+](C)CC(F)F)C1 ZINC000092796093 345644073 /nfs/dbraw/zinc/64/40/73/345644073.db2.gz HBLOATDPAIIIIH-UWVGGRQHSA-N 1 2 205.292 3.010 20 0 BGADLO C[C@H]1CCC[C@H](C[N@H+](C)CC(F)F)C1 ZINC000092796093 345644072 /nfs/dbraw/zinc/64/40/72/345644072.db2.gz HBLOATDPAIIIIH-UWVGGRQHSA-N 1 2 205.292 3.010 20 0 BGADLO C[C@@H]1CCC[C@@H](C[N@@H+](C)CC(F)F)C1 ZINC000092796094 345644234 /nfs/dbraw/zinc/64/42/34/345644234.db2.gz HBLOATDPAIIIIH-NXEZZACHSA-N 1 2 205.292 3.010 20 0 BGADLO C[C@@H]1CCC[C@@H](C[N@H+](C)CC(F)F)C1 ZINC000092796094 345644229 /nfs/dbraw/zinc/64/42/29/345644229.db2.gz HBLOATDPAIIIIH-NXEZZACHSA-N 1 2 205.292 3.010 20 0 BGADLO C[C@H]1CCC[C@@H](C[N@@H+](C)CC(F)F)C1 ZINC000092796095 345643816 /nfs/dbraw/zinc/64/38/16/345643816.db2.gz HBLOATDPAIIIIH-VHSXEESVSA-N 1 2 205.292 3.010 20 0 BGADLO C[C@H]1CCC[C@@H](C[N@H+](C)CC(F)F)C1 ZINC000092796095 345643814 /nfs/dbraw/zinc/64/38/14/345643814.db2.gz HBLOATDPAIIIIH-VHSXEESVSA-N 1 2 205.292 3.010 20 0 BGADLO CCCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000092918509 169038463 /nfs/dbraw/zinc/03/84/63/169038463.db2.gz SPUJNFLWNYEMEL-UHFFFAOYSA-N 1 2 243.232 3.250 20 0 BGADLO CCOCCN(C)c1[nH+]c2ccccc2cc1C ZINC000092963251 345649957 /nfs/dbraw/zinc/64/99/57/345649957.db2.gz UIDRVFBLLDQTDX-UHFFFAOYSA-N 1 2 244.338 3.016 20 0 BGADLO Cc1[nH]ncc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000092969079 360207960 /nfs/dbraw/zinc/20/79/60/360207960.db2.gz ILWKDJNAMVBLHB-UHFFFAOYSA-N 1 2 247.386 3.264 20 0 BGADLO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccco1 ZINC000093053532 644677943 /nfs/dbraw/zinc/67/79/43/644677943.db2.gz MHWLJRVHSGPGQM-VIFPVBQESA-N 1 2 248.351 3.076 20 0 BGADLO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccco1 ZINC000093053533 644677221 /nfs/dbraw/zinc/67/72/21/644677221.db2.gz MHWLJRVHSGPGQM-SECBINFHSA-N 1 2 248.351 3.076 20 0 BGADLO CC(C)CC[N@@H+](CCC#N)Cc1ccoc1 ZINC000093100917 644677851 /nfs/dbraw/zinc/67/78/51/644677851.db2.gz SYJIKHUCSVDJQR-UHFFFAOYSA-N 1 2 220.316 3.041 20 0 BGADLO CC(C)CC[N@H+](CCC#N)Cc1ccoc1 ZINC000093100917 644677846 /nfs/dbraw/zinc/67/78/46/644677846.db2.gz SYJIKHUCSVDJQR-UHFFFAOYSA-N 1 2 220.316 3.041 20 0 BGADLO CCC(CC)C[N@@H+](CCC#N)Cc1ccoc1 ZINC000093101039 644677369 /nfs/dbraw/zinc/67/73/69/644677369.db2.gz VURYZZXVEVEVFA-UHFFFAOYSA-N 1 2 234.343 3.431 20 0 BGADLO CCC(CC)C[N@H+](CCC#N)Cc1ccoc1 ZINC000093101039 644677365 /nfs/dbraw/zinc/67/73/65/644677365.db2.gz VURYZZXVEVEVFA-UHFFFAOYSA-N 1 2 234.343 3.431 20 0 BGADLO CC(C)(C)C[N@@H+](CCC#N)Cc1ccoc1 ZINC000093101254 644677175 /nfs/dbraw/zinc/67/71/75/644677175.db2.gz JNVGZTUYIOOEFH-UHFFFAOYSA-N 1 2 220.316 3.041 20 0 BGADLO CC(C)(C)C[N@H+](CCC#N)Cc1ccoc1 ZINC000093101254 644677172 /nfs/dbraw/zinc/67/71/72/644677172.db2.gz JNVGZTUYIOOEFH-UHFFFAOYSA-N 1 2 220.316 3.041 20 0 BGADLO Cc1cccnc1C[N@@H+](C)Cc1ccccc1F ZINC000093157779 179370315 /nfs/dbraw/zinc/37/03/15/179370315.db2.gz MCXIJMRTFVFSBP-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1cccnc1C[N@H+](C)Cc1ccccc1F ZINC000093157779 179370312 /nfs/dbraw/zinc/37/03/12/179370312.db2.gz MCXIJMRTFVFSBP-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Fc1cccc(C[NH+]2CCSCC2)c1Cl ZINC000093159274 345658322 /nfs/dbraw/zinc/65/83/22/345658322.db2.gz RELAVDGUSUTSKV-UHFFFAOYSA-N 1 2 245.750 3.028 20 0 BGADLO CC[N@@H+](C)Cc1c(F)cccc1Br ZINC000093170466 386393937 /nfs/dbraw/zinc/39/39/37/386393937.db2.gz SCUZTPRUBKBJQW-UHFFFAOYSA-N 1 2 246.123 3.040 20 0 BGADLO CC[N@H+](C)Cc1c(F)cccc1Br ZINC000093170466 386393933 /nfs/dbraw/zinc/39/39/33/386393933.db2.gz SCUZTPRUBKBJQW-UHFFFAOYSA-N 1 2 246.123 3.040 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000093418267 360241081 /nfs/dbraw/zinc/24/10/81/360241081.db2.gz ISPQYOZNLXKCCI-CZXHOFHRSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000093418267 360241077 /nfs/dbraw/zinc/24/10/77/360241077.db2.gz ISPQYOZNLXKCCI-CZXHOFHRSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000093418268 360241040 /nfs/dbraw/zinc/24/10/40/360241040.db2.gz ISPQYOZNLXKCCI-FMSGJZPZSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000093418268 360241036 /nfs/dbraw/zinc/24/10/36/360241036.db2.gz ISPQYOZNLXKCCI-FMSGJZPZSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000093418269 360241800 /nfs/dbraw/zinc/24/18/00/360241800.db2.gz ISPQYOZNLXKCCI-GFQSEFKGSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000093418269 360241799 /nfs/dbraw/zinc/24/17/99/360241799.db2.gz ISPQYOZNLXKCCI-GFQSEFKGSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000093418270 360241552 /nfs/dbraw/zinc/24/15/52/360241552.db2.gz ISPQYOZNLXKCCI-CIQGVGRVSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)o1 ZINC000093418270 360241549 /nfs/dbraw/zinc/24/15/49/360241549.db2.gz ISPQYOZNLXKCCI-CIQGVGRVSA-N 1 2 249.354 3.012 20 0 BGADLO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnc[nH]2)o1 ZINC000093443915 384239025 /nfs/dbraw/zinc/23/90/25/384239025.db2.gz MZZIMHHAGADHNB-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnc[nH]2)o1 ZINC000093443915 384239020 /nfs/dbraw/zinc/23/90/20/384239020.db2.gz MZZIMHHAGADHNB-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2c[nH]cn2)o1 ZINC000093443915 384239018 /nfs/dbraw/zinc/23/90/18/384239018.db2.gz MZZIMHHAGADHNB-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2c[nH]cn2)o1 ZINC000093443915 384239012 /nfs/dbraw/zinc/23/90/12/384239012.db2.gz MZZIMHHAGADHNB-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc([C@H]2CCCC[N@H+]2Cc2cnc[nH]2)o1 ZINC000093443916 384238723 /nfs/dbraw/zinc/23/87/23/384238723.db2.gz MZZIMHHAGADHNB-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cnc[nH]2)o1 ZINC000093443916 384238721 /nfs/dbraw/zinc/23/87/21/384238721.db2.gz MZZIMHHAGADHNB-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc([C@H]2CCCC[N@H+]2Cc2c[nH]cn2)o1 ZINC000093443916 384238717 /nfs/dbraw/zinc/23/87/17/384238717.db2.gz MZZIMHHAGADHNB-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2c[nH]cn2)o1 ZINC000093443916 384238715 /nfs/dbraw/zinc/23/87/15/384238715.db2.gz MZZIMHHAGADHNB-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc(C[N@H+]2CCc3cccc(F)c3C2)o1 ZINC000093454236 360244252 /nfs/dbraw/zinc/24/42/52/360244252.db2.gz NKBCXTZZIUVKKC-UHFFFAOYSA-N 1 2 245.297 3.285 20 0 BGADLO Cc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)o1 ZINC000093454236 360244246 /nfs/dbraw/zinc/24/42/46/360244246.db2.gz NKBCXTZZIUVKKC-UHFFFAOYSA-N 1 2 245.297 3.285 20 0 BGADLO CC1(C)CC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000093460464 345672598 /nfs/dbraw/zinc/67/25/98/345672598.db2.gz RRARVUOODORZSM-UHFFFAOYSA-N 1 2 229.245 3.088 20 0 BGADLO CC1(C)CC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000093460464 345672597 /nfs/dbraw/zinc/67/25/97/345672597.db2.gz RRARVUOODORZSM-UHFFFAOYSA-N 1 2 229.245 3.088 20 0 BGADLO Cc1cccc(C[N@@H+](C)Cc2nccs2)c1C ZINC000093582371 179070601 /nfs/dbraw/zinc/07/06/01/179070601.db2.gz NOHZSHPHZVNZJJ-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cccc(C[N@H+](C)Cc2nccs2)c1C ZINC000093582371 179070599 /nfs/dbraw/zinc/07/05/99/179070599.db2.gz NOHZSHPHZVNZJJ-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2nccs2)cc1C ZINC000093582589 135601428 /nfs/dbraw/zinc/60/14/28/135601428.db2.gz HASDEIGSBFBSPN-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2nccs2)cc1C ZINC000093582589 135601427 /nfs/dbraw/zinc/60/14/27/135601427.db2.gz HASDEIGSBFBSPN-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Clc1ccc([C@@H]2CCN2Cc2c[nH+]c[nH]2)cc1 ZINC000093686140 345974729 /nfs/dbraw/zinc/97/47/29/345974729.db2.gz QMSAUXUGSLCVFI-ZDUSSCGKSA-N 1 2 247.729 3.010 20 0 BGADLO Clc1ccc([C@H]2CCN2Cc2c[nH+]c[nH]2)cc1 ZINC000093686142 345974694 /nfs/dbraw/zinc/97/46/94/345974694.db2.gz QMSAUXUGSLCVFI-CYBMUJFWSA-N 1 2 247.729 3.010 20 0 BGADLO Fc1ccc(F)c2c1CC[N@@H+](Cc1ccco1)C2 ZINC000093815695 345665633 /nfs/dbraw/zinc/66/56/33/345665633.db2.gz RYZXCRJPKWENKJ-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO Fc1ccc(F)c2c1CC[N@H+](Cc1ccco1)C2 ZINC000093815695 345665631 /nfs/dbraw/zinc/66/56/31/345665631.db2.gz RYZXCRJPKWENKJ-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO Clc1ccc2c(c1)C[N@H+](Cc1ccco1)CC2 ZINC000093838213 360281923 /nfs/dbraw/zinc/28/19/23/360281923.db2.gz XWZZMGMOQIYICV-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Clc1ccc2c(c1)C[N@@H+](Cc1ccco1)CC2 ZINC000093838213 360281918 /nfs/dbraw/zinc/28/19/18/360281918.db2.gz XWZZMGMOQIYICV-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Fc1cc(F)c2c(c1)C[N@H+](Cc1ccco1)CC2 ZINC000093838289 345665480 /nfs/dbraw/zinc/66/54/80/345665480.db2.gz CCOHIEONEBUZGR-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO Fc1cc(F)c2c(c1)C[N@@H+](Cc1ccco1)CC2 ZINC000093838289 345665478 /nfs/dbraw/zinc/66/54/78/345665478.db2.gz CCOHIEONEBUZGR-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2C)c(F)c1 ZINC000094216740 388861758 /nfs/dbraw/zinc/86/17/58/388861758.db2.gz WISLAEIHWKIADU-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)c(F)c1 ZINC000094216789 360300755 /nfs/dbraw/zinc/30/07/55/360300755.db2.gz CNDMPTPHBIVTEO-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000094366712 175153960 /nfs/dbraw/zinc/15/39/60/175153960.db2.gz FIAHVYHGBBHDIY-CYBMUJFWSA-N 1 2 247.338 3.209 20 0 BGADLO COc1ccc([NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000094366713 175155271 /nfs/dbraw/zinc/15/52/71/175155271.db2.gz FIAHVYHGBBHDIY-ZDUSSCGKSA-N 1 2 247.338 3.209 20 0 BGADLO Cc1ccc(NCc2ccc(F)cc2)c(C)[nH+]1 ZINC000094664070 360314229 /nfs/dbraw/zinc/31/42/29/360314229.db2.gz IVIJWXRPCAEASL-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(NCc2cccc(F)c2)c(C)[nH+]1 ZINC000094664082 360314220 /nfs/dbraw/zinc/31/42/20/360314220.db2.gz ZWOSXUPKUGBFAG-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO COc1cccc(CNc2ccc(C)[nH+]c2C)c1 ZINC000094664085 175268949 /nfs/dbraw/zinc/26/89/49/175268949.db2.gz YQIBIXCLLLLJSF-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1ccc(NCc2ccccc2F)c(C)[nH+]1 ZINC000094664132 360313639 /nfs/dbraw/zinc/31/36/39/360313639.db2.gz HQWWIEKXGXSRQP-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(N[C@@H]2CCOC(C)(C)C2)c(C)[nH+]1 ZINC000094664196 487550147 /nfs/dbraw/zinc/55/01/47/487550147.db2.gz ABUGKGRKRUOWPJ-GFCCVEGCSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1ccc(N[C@H]2CCOC(C)(C)C2)c(C)[nH+]1 ZINC000094664197 487549932 /nfs/dbraw/zinc/54/99/32/487549932.db2.gz ABUGKGRKRUOWPJ-LBPRGKRZSA-N 1 2 234.343 3.068 20 0 BGADLO CC[C@@H]1C[C@H](Nc2ccc(C)[nH+]c2C)CCO1 ZINC000094664199 487549886 /nfs/dbraw/zinc/54/98/86/487549886.db2.gz XYDDKQCYJAIIDN-CHWSQXEVSA-N 1 2 234.343 3.068 20 0 BGADLO CC[C@H]1C[C@H](Nc2ccc(C)[nH+]c2C)CCO1 ZINC000094664200 487549940 /nfs/dbraw/zinc/54/99/40/487549940.db2.gz XYDDKQCYJAIIDN-OLZOCXBDSA-N 1 2 234.343 3.068 20 0 BGADLO CC[C@@H]1C[C@@H](Nc2ccc(C)[nH+]c2C)CCO1 ZINC000094664201 487550091 /nfs/dbraw/zinc/55/00/91/487550091.db2.gz XYDDKQCYJAIIDN-QWHCGFSZSA-N 1 2 234.343 3.068 20 0 BGADLO CC[C@H]1C[C@@H](Nc2ccc(C)[nH+]c2C)CCO1 ZINC000094664202 487550165 /nfs/dbraw/zinc/55/01/65/487550165.db2.gz XYDDKQCYJAIIDN-STQMWFEESA-N 1 2 234.343 3.068 20 0 BGADLO Cc1ccc(N[C@@H](C)c2ccccn2)c(C)[nH+]1 ZINC000094664332 384310746 /nfs/dbraw/zinc/31/07/46/384310746.db2.gz DMEYSYONJQXLTM-NSHDSACASA-N 1 2 227.311 3.267 20 0 BGADLO Cc1ccc(N[C@H](C)c2ccccn2)c(C)[nH+]1 ZINC000094664333 384309162 /nfs/dbraw/zinc/30/91/62/384309162.db2.gz DMEYSYONJQXLTM-LLVKDONJSA-N 1 2 227.311 3.267 20 0 BGADLO CCc1ncc(CNc2ccc(C)[nH+]c2C)s1 ZINC000094664421 172020276 /nfs/dbraw/zinc/02/02/76/172020276.db2.gz JYJFINBZMLLSHH-UHFFFAOYSA-N 1 2 247.367 3.329 20 0 BGADLO CCn1cccc1CNc1ccc(C)[nH+]c1C ZINC000094664438 172209779 /nfs/dbraw/zinc/20/97/79/172209779.db2.gz FLVKGJKARVYSGT-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO Cc1ccc(NCc2cccc(O)c2)c(C)[nH+]1 ZINC000094664469 360313888 /nfs/dbraw/zinc/31/38/88/360313888.db2.gz SZLJETYSTRUKGB-UHFFFAOYSA-N 1 2 228.295 3.016 20 0 BGADLO CCc1ccc(CNc2ccc(C)[nH+]c2C)o1 ZINC000094664515 360313855 /nfs/dbraw/zinc/31/38/55/360313855.db2.gz KRPJXHYCBVRGMK-UHFFFAOYSA-N 1 2 230.311 3.466 20 0 BGADLO Cc1ccc(NCc2ccc(O)cc2)c(C)[nH+]1 ZINC000094664578 566362446 /nfs/dbraw/zinc/36/24/46/566362446.db2.gz YOEGILKJIWJRAE-UHFFFAOYSA-N 1 2 228.295 3.016 20 0 BGADLO COc1ccc(CNc2ccc(C)[nH+]c2C)cc1 ZINC000094664596 187286887 /nfs/dbraw/zinc/28/68/87/187286887.db2.gz URIZJTQVOYFUIM-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1ccccc1CNc1ccc(C)[nH+]c1C ZINC000094664608 175331113 /nfs/dbraw/zinc/33/11/13/175331113.db2.gz NWMJVXDXADNZSB-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1nc(C)c(CNc2ccc(C)[nH+]c2C)s1 ZINC000094664661 360313992 /nfs/dbraw/zinc/31/39/92/360313992.db2.gz RUMAMFKCYZHACZ-UHFFFAOYSA-N 1 2 247.367 3.384 20 0 BGADLO Cc1ccc(NC(=O)c2ccccc2F)c(C)[nH+]1 ZINC000094665007 360314783 /nfs/dbraw/zinc/31/47/83/360314783.db2.gz LEAQEKPXCRKAGY-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1ccc(NC(=O)c2ccc(F)cc2)c(C)[nH+]1 ZINC000094665027 360314896 /nfs/dbraw/zinc/31/48/96/360314896.db2.gz PXPCOTUKFVDZIT-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1ccc(NC(=O)c2cccs2)c(C)[nH+]1 ZINC000094667179 360315215 /nfs/dbraw/zinc/31/52/15/360315215.db2.gz HKTGWOIHFNAEQA-UHFFFAOYSA-N 1 2 232.308 3.012 20 0 BGADLO C[C@]1(CNc2ccc3ccccc3[nH+]2)CCCO1 ZINC000094805003 386470742 /nfs/dbraw/zinc/47/07/42/386470742.db2.gz WMMDVFRSOFYOTM-OAHLLOKOSA-N 1 2 242.322 3.216 20 0 BGADLO C[C@@]1(CNc2ccc3ccccc3[nH+]2)CCCO1 ZINC000094805004 386469706 /nfs/dbraw/zinc/46/97/06/386469706.db2.gz WMMDVFRSOFYOTM-HNNXBMFYSA-N 1 2 242.322 3.216 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)no1 ZINC000094837789 360322891 /nfs/dbraw/zinc/32/28/91/360322891.db2.gz BKFSLDCJGJMMNU-LLVKDONJSA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@@H](C)CCCO ZINC000094944759 178298779 /nfs/dbraw/zinc/29/87/79/178298779.db2.gz KGPXQVKBEAXJLP-LBPRGKRZSA-N 1 2 244.338 3.116 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@H](C)CCCO ZINC000094944760 178299192 /nfs/dbraw/zinc/29/91/92/178299192.db2.gz KGPXQVKBEAXJLP-GFCCVEGCSA-N 1 2 244.338 3.116 20 0 BGADLO CC[C@@H](CCO)CNc1ccc2ccccc2[nH+]1 ZINC000094957309 384323462 /nfs/dbraw/zinc/32/34/62/384323462.db2.gz DTQNENIJFKZPCZ-LBPRGKRZSA-N 1 2 244.338 3.055 20 0 BGADLO CC[C@H](CCO)CNc1ccc2ccccc2[nH+]1 ZINC000094957310 384324313 /nfs/dbraw/zinc/32/43/13/384324313.db2.gz DTQNENIJFKZPCZ-GFCCVEGCSA-N 1 2 244.338 3.055 20 0 BGADLO Cc1cc(N[C@H](C)c2ccc(C)c(F)c2)nc[nH+]1 ZINC000094957918 178187940 /nfs/dbraw/zinc/18/79/40/178187940.db2.gz OVEQRRDETAZTIP-LLVKDONJSA-N 1 2 245.301 3.406 20 0 BGADLO Cc1nc(C[NH2+][C@@H](C)c2ccccn2)sc1C ZINC000094965449 384323347 /nfs/dbraw/zinc/32/33/47/384323347.db2.gz ZPOKPRHZCVDMNK-JTQLQIEISA-N 1 2 247.367 3.006 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2ccccn2)sc1C ZINC000094965450 384323357 /nfs/dbraw/zinc/32/33/57/384323357.db2.gz ZPOKPRHZCVDMNK-SNVBAGLBSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccc(N[C@@H]2CCC[C@H](C)C2)c[nH+]1 ZINC000096033310 384423637 /nfs/dbraw/zinc/42/36/37/384423637.db2.gz LDPFKFHFULLXLA-CMPLNLGQSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@H]2CCC[C@H](C)C2)c[nH+]1 ZINC000096033311 384423750 /nfs/dbraw/zinc/42/37/50/384423750.db2.gz LDPFKFHFULLXLA-JQWIXIFHSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@@H]2CCC[C@@H](C)C2)c[nH+]1 ZINC000096033312 384423585 /nfs/dbraw/zinc/42/35/85/384423585.db2.gz LDPFKFHFULLXLA-ZYHUDNBSSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@H]2CCC[C@@H](C)C2)c[nH+]1 ZINC000096033313 384423878 /nfs/dbraw/zinc/42/38/78/384423878.db2.gz LDPFKFHFULLXLA-PWSUYJOCSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(NCc2ccsc2)c[nH+]1 ZINC000096033318 384425116 /nfs/dbraw/zinc/42/51/16/384425116.db2.gz HHCBOFGLLKFNGQ-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO Cc1ccc(NC2CCC(C)CC2)c[nH+]1 ZINC000096033337 384424379 /nfs/dbraw/zinc/42/43/79/384424379.db2.gz LFGGQCXWVIEPTR-UHFFFAOYSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@@H]2CCCC[C@@H]2C)c[nH+]1 ZINC000096033372 384424554 /nfs/dbraw/zinc/42/45/54/384424554.db2.gz PUDJPRIHGIDTJP-GXFFZTMASA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@H]2CCCC[C@@H]2C)c[nH+]1 ZINC000096033373 384423847 /nfs/dbraw/zinc/42/38/47/384423847.db2.gz PUDJPRIHGIDTJP-GWCFXTLKSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@@H]2CCCC[C@H]2C)c[nH+]1 ZINC000096033374 384424883 /nfs/dbraw/zinc/42/48/83/384424883.db2.gz PUDJPRIHGIDTJP-ZWNOBZJWSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@H]2CCCC[C@H]2C)c[nH+]1 ZINC000096033375 384423734 /nfs/dbraw/zinc/42/37/34/384423734.db2.gz PUDJPRIHGIDTJP-MFKMUULPSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(NC[C@H]2CC=CCC2)c[nH+]1 ZINC000096033384 384425024 /nfs/dbraw/zinc/42/50/24/384425024.db2.gz FUPVEBYYIIKLGE-LBPRGKRZSA-N 1 2 202.301 3.158 20 0 BGADLO Cc1ccc(NC[C@@H]2CC=CCC2)c[nH+]1 ZINC000096033385 384423934 /nfs/dbraw/zinc/42/39/34/384423934.db2.gz FUPVEBYYIIKLGE-GFCCVEGCSA-N 1 2 202.301 3.158 20 0 BGADLO CC(C)[C@H]([NH2+]CC(F)F)c1ccccc1 ZINC000096525947 343759477 /nfs/dbraw/zinc/75/94/77/343759477.db2.gz LDJBFXWGIPDWIV-LBPRGKRZSA-N 1 2 213.271 3.238 20 0 BGADLO CC(C)[C@@H]([NH2+]CC(F)F)c1ccccc1 ZINC000096525950 343759570 /nfs/dbraw/zinc/75/95/70/343759570.db2.gz LDJBFXWGIPDWIV-GFCCVEGCSA-N 1 2 213.271 3.238 20 0 BGADLO COc1ccc([C@H]([NH2+]CC(F)F)C2CC2)cc1 ZINC000096525960 343759488 /nfs/dbraw/zinc/75/94/88/343759488.db2.gz MCKXEQBSWIUKLK-CYBMUJFWSA-N 1 2 241.281 3.001 20 0 BGADLO COc1ccc([C@@H]([NH2+]CC(F)F)C2CC2)cc1 ZINC000096525963 343759557 /nfs/dbraw/zinc/75/95/57/343759557.db2.gz MCKXEQBSWIUKLK-ZDUSSCGKSA-N 1 2 241.281 3.001 20 0 BGADLO Cc1cc(N)nc(S[C@@H]2CCC[C@H](C)C2)[nH+]1 ZINC000096686971 322971976 /nfs/dbraw/zinc/97/19/76/322971976.db2.gz LJJKKKFXAAEJJU-WCBMZHEXSA-N 1 2 237.372 3.038 20 0 BGADLO Cc1cc(N)nc(S[C@H]2CCC[C@H](C)C2)[nH+]1 ZINC000096686972 384901976 /nfs/dbraw/zinc/90/19/76/384901976.db2.gz LJJKKKFXAAEJJU-WPRPVWTQSA-N 1 2 237.372 3.038 20 0 BGADLO Cc1cc(N)nc(S[C@@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000096686973 384901993 /nfs/dbraw/zinc/90/19/93/384901993.db2.gz LJJKKKFXAAEJJU-PSASIEDQSA-N 1 2 237.372 3.038 20 0 BGADLO Cc1cc(N)nc(S[C@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000096686974 384902218 /nfs/dbraw/zinc/90/22/18/384902218.db2.gz LJJKKKFXAAEJJU-SCZZXKLOSA-N 1 2 237.372 3.038 20 0 BGADLO Cc1cc(NC(=O)NC2CCCCCC2)cc[nH+]1 ZINC000096713153 323104739 /nfs/dbraw/zinc/10/47/39/323104739.db2.gz OCLIUDDUJOOLTM-UHFFFAOYSA-N 1 2 247.342 3.234 20 0 BGADLO Cc1cc(NC(=O)Nc2ccccc2C)cc[nH+]1 ZINC000096713155 360353034 /nfs/dbraw/zinc/35/30/34/360353034.db2.gz PULRMNGQENYMNO-UHFFFAOYSA-N 1 2 241.294 3.342 20 0 BGADLO Cc1ccc(NC(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000096713157 360353137 /nfs/dbraw/zinc/35/31/37/360353137.db2.gz TVTHSCMJAMUKIK-UHFFFAOYSA-N 1 2 241.294 3.342 20 0 BGADLO Cc1scc(C(=O)Nc2cc[nH+]c(C)c2)c1C ZINC000096747763 322978015 /nfs/dbraw/zinc/97/80/15/322978015.db2.gz JTUJKXZBXDAULE-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO CCCCSc1[nH+]cc2ccccn21 ZINC000096952630 360357086 /nfs/dbraw/zinc/35/70/86/360357086.db2.gz PZYOXVLPDIZCKQ-UHFFFAOYSA-N 1 2 206.314 3.227 20 0 BGADLO CSCC[N@@H+](C)Cc1c(F)cccc1Cl ZINC000096954181 387233408 /nfs/dbraw/zinc/23/34/08/387233408.db2.gz UKNAYWBLSDGNEE-UHFFFAOYSA-N 1 2 247.766 3.274 20 0 BGADLO CSCC[N@H+](C)Cc1c(F)cccc1Cl ZINC000096954181 387233404 /nfs/dbraw/zinc/23/34/04/387233404.db2.gz UKNAYWBLSDGNEE-UHFFFAOYSA-N 1 2 247.766 3.274 20 0 BGADLO Cc1cc(C)c(NC(=O)c2ccccc2)c(C)[nH+]1 ZINC000097039904 387234424 /nfs/dbraw/zinc/23/44/24/387234424.db2.gz UQEAIUPZPQUXPT-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO Cc1cc(C)c(NC(=O)C2CCCC2)c(C)[nH+]1 ZINC000097039933 387235097 /nfs/dbraw/zinc/23/50/97/387235097.db2.gz GTOTYROIYOQJGU-UHFFFAOYSA-N 1 2 232.327 3.136 20 0 BGADLO Cc1cc(C)c(NC(=O)c2cccs2)c(C)[nH+]1 ZINC000097039953 177866265 /nfs/dbraw/zinc/86/62/65/177866265.db2.gz RMCGAMMSPQFRMY-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO Cc1cc(C)c(NC(=O)CC(C)(C)C)c(C)[nH+]1 ZINC000097039956 187924072 /nfs/dbraw/zinc/92/40/72/187924072.db2.gz HMAJNMRQRXACEF-UHFFFAOYSA-N 1 2 234.343 3.382 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@H]2CC=CCC2)c(C)[nH+]1 ZINC000097040237 387234475 /nfs/dbraw/zinc/23/44/75/387234475.db2.gz RGXJZGMTIQIIJD-ZDUSSCGKSA-N 1 2 244.338 3.302 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@@H]2CC=CCC2)c(C)[nH+]1 ZINC000097040238 387234870 /nfs/dbraw/zinc/23/48/70/387234870.db2.gz RGXJZGMTIQIIJD-CYBMUJFWSA-N 1 2 244.338 3.302 20 0 BGADLO Cc1cc(C)c(NC(=O)c2ccsc2)c(C)[nH+]1 ZINC000097040289 387234824 /nfs/dbraw/zinc/23/48/24/387234824.db2.gz JWPYESQXZLUSBT-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO Cc1occc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097040301 387235790 /nfs/dbraw/zinc/23/57/90/387235790.db2.gz LKVIJRJIGXOHDM-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO Cc1cc(C)c(NC(=O)C[C@H]2C=CCC2)c(C)[nH+]1 ZINC000097040303 387234093 /nfs/dbraw/zinc/23/40/93/387234093.db2.gz LQKDRUZETFLOMS-ZDUSSCGKSA-N 1 2 244.338 3.302 20 0 BGADLO Cc1cc(C)c(NC(=O)C[C@@H]2C=CCC2)c(C)[nH+]1 ZINC000097040304 387235875 /nfs/dbraw/zinc/23/58/75/387235875.db2.gz LQKDRUZETFLOMS-CYBMUJFWSA-N 1 2 244.338 3.302 20 0 BGADLO CCc1ccsc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000097105785 360361774 /nfs/dbraw/zinc/36/17/74/360361774.db2.gz QOIWADSTMLDCKR-UHFFFAOYSA-N 1 2 246.335 3.266 20 0 BGADLO CCCCC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097213701 387240118 /nfs/dbraw/zinc/24/01/18/387240118.db2.gz VFYHJYVTWBODCB-UHFFFAOYSA-N 1 2 220.316 3.136 20 0 BGADLO Cc1cc(C)c(NC(=O)CCC(C)C)c(C)[nH+]1 ZINC000097213801 387239632 /nfs/dbraw/zinc/23/96/32/387239632.db2.gz ZCLLFUABBSJMBH-UHFFFAOYSA-N 1 2 234.343 3.382 20 0 BGADLO Cc1ccoc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097213947 387239094 /nfs/dbraw/zinc/23/90/94/387239094.db2.gz NISHVLMUWZYIOZ-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO C/C=C/C=C/C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000097214126 386435173 /nfs/dbraw/zinc/43/51/73/386435173.db2.gz ZQRLRCGIPGSUCG-BSWSSELBSA-N 1 2 230.311 3.078 20 0 BGADLO CC(C)(C)C(=O)CSc1[nH+]cc2ccccn21 ZINC000097602113 384536748 /nfs/dbraw/zinc/53/67/48/384536748.db2.gz LXXXPQRIIRQIGE-UHFFFAOYSA-N 1 2 248.351 3.042 20 0 BGADLO CCC[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)OCC ZINC000097987916 386571893 /nfs/dbraw/zinc/57/18/93/386571893.db2.gz OBJWGNAWBZIJEZ-JSGCOSHPSA-N 1 2 249.354 3.069 20 0 BGADLO CCC[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)OCC ZINC000097987917 386572712 /nfs/dbraw/zinc/57/27/12/386572712.db2.gz OBJWGNAWBZIJEZ-GXTWGEPZSA-N 1 2 249.354 3.069 20 0 BGADLO CCC[C@H]([NH2+][C@H](C)c1ccccc1)C(=O)OCC ZINC000097987918 386572946 /nfs/dbraw/zinc/57/29/46/386572946.db2.gz OBJWGNAWBZIJEZ-OCCSQVGLSA-N 1 2 249.354 3.069 20 0 BGADLO CCC[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)OCC ZINC000097987919 386572433 /nfs/dbraw/zinc/57/24/33/386572433.db2.gz OBJWGNAWBZIJEZ-TZMCWYRMSA-N 1 2 249.354 3.069 20 0 BGADLO CCc1ccccc1COc1cc[nH+]cc1 ZINC000098205634 345690290 /nfs/dbraw/zinc/69/02/90/345690290.db2.gz IDEPMPDZNSWEQA-UHFFFAOYSA-N 1 2 213.280 3.223 20 0 BGADLO Cc1ccc(N(Cc2[nH+]ccn2C)C(C)C)cc1 ZINC000101550848 587760002 /nfs/dbraw/zinc/76/00/02/587760002.db2.gz MOEFLLUYLCLMKJ-UHFFFAOYSA-N 1 2 243.354 3.144 20 0 BGADLO CCC[N@@H+](CCOCCC(C)C)CC(F)F ZINC000101731613 169169568 /nfs/dbraw/zinc/16/95/68/169169568.db2.gz MTWGNZMFLQWRPI-UHFFFAOYSA-N 1 2 237.334 3.026 20 0 BGADLO CCC[N@H+](CCOCCC(C)C)CC(F)F ZINC000101731613 169169566 /nfs/dbraw/zinc/16/95/66/169169566.db2.gz MTWGNZMFLQWRPI-UHFFFAOYSA-N 1 2 237.334 3.026 20 0 BGADLO CCC[N@H+](Cc1cccc(OC)c1)CC(F)F ZINC000101732097 169177593 /nfs/dbraw/zinc/17/75/93/169177593.db2.gz QXHPXSVTYVTCJM-UHFFFAOYSA-N 1 2 243.297 3.172 20 0 BGADLO CCC[N@@H+](Cc1cccc(OC)c1)CC(F)F ZINC000101732097 169177591 /nfs/dbraw/zinc/17/75/91/169177591.db2.gz QXHPXSVTYVTCJM-UHFFFAOYSA-N 1 2 243.297 3.172 20 0 BGADLO Cc1cc(NC(=O)C2CCCCCC2)cc[nH+]1 ZINC000101947967 178125602 /nfs/dbraw/zinc/12/56/02/178125602.db2.gz DESQEKQBLITARS-UHFFFAOYSA-N 1 2 232.327 3.299 20 0 BGADLO CC[N@@H+](Cc1csc(C)n1)Cc1ccccc1 ZINC000102669113 344434809 /nfs/dbraw/zinc/43/48/09/344434809.db2.gz BLRZHOWUOJVPBH-UHFFFAOYSA-N 1 2 246.379 3.474 20 0 BGADLO CC[N@H+](Cc1csc(C)n1)Cc1ccccc1 ZINC000102669113 344434807 /nfs/dbraw/zinc/43/48/07/344434807.db2.gz BLRZHOWUOJVPBH-UHFFFAOYSA-N 1 2 246.379 3.474 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2ccc(C)cc2C)no1 ZINC000102674380 384723503 /nfs/dbraw/zinc/72/35/03/384723503.db2.gz HJRNSSQTMASJJG-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2ccc(C)cc2C)no1 ZINC000102674380 384723493 /nfs/dbraw/zinc/72/34/93/384723493.db2.gz HJRNSSQTMASJJG-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccsc2)cs1 ZINC000102675649 384574810 /nfs/dbraw/zinc/57/48/10/384574810.db2.gz VCRSIXJVVVOCJY-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccsc2)cs1 ZINC000102675649 384574802 /nfs/dbraw/zinc/57/48/02/384574802.db2.gz VCRSIXJVVVOCJY-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cscn1 ZINC000102697018 176020496 /nfs/dbraw/zinc/02/04/96/176020496.db2.gz OYEVMBWEPVEUJO-NSHDSACASA-N 1 2 232.352 3.336 20 0 BGADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1cscn1 ZINC000102697018 176020495 /nfs/dbraw/zinc/02/04/95/176020495.db2.gz OYEVMBWEPVEUJO-NSHDSACASA-N 1 2 232.352 3.336 20 0 BGADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1cscn1 ZINC000102697020 177038692 /nfs/dbraw/zinc/03/86/92/177038692.db2.gz OYEVMBWEPVEUJO-LLVKDONJSA-N 1 2 232.352 3.336 20 0 BGADLO C[C@H](c1ccccc1)[N@H+](C)Cc1cscn1 ZINC000102697020 177038690 /nfs/dbraw/zinc/03/86/90/177038690.db2.gz OYEVMBWEPVEUJO-LLVKDONJSA-N 1 2 232.352 3.336 20 0 BGADLO CCCCc1[nH+]c2ccccc2n1CC(C)(C)O ZINC000103167890 169027469 /nfs/dbraw/zinc/02/74/69/169027469.db2.gz DDGMQQBOORJKJC-UHFFFAOYSA-N 1 2 246.354 3.150 20 0 BGADLO COCCCCC[N@@H+](C)c1ccc(C)cc1 ZINC000103227762 585074306 /nfs/dbraw/zinc/07/43/06/585074306.db2.gz AWUYJBIAOOVVDI-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO COCCCCC[N@H+](C)c1ccc(C)cc1 ZINC000103227762 585074305 /nfs/dbraw/zinc/07/43/05/585074305.db2.gz AWUYJBIAOOVVDI-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO CC(C)c1nc(C[N@@H+](C2CC2)C2CCCC2)no1 ZINC000103465990 358061336 /nfs/dbraw/zinc/06/13/36/358061336.db2.gz AYTUVHKGKZDJQM-UHFFFAOYSA-N 1 2 249.358 3.100 20 0 BGADLO CC(C)c1nc(C[N@H+](C2CC2)C2CCCC2)no1 ZINC000103465990 358061334 /nfs/dbraw/zinc/06/13/34/358061334.db2.gz AYTUVHKGKZDJQM-UHFFFAOYSA-N 1 2 249.358 3.100 20 0 BGADLO CCN(Cc1[nH+]ccn1C(C)C)c1ccccc1 ZINC000103468991 344446989 /nfs/dbraw/zinc/44/69/89/344446989.db2.gz XBAPIOCYUKMGRR-UHFFFAOYSA-N 1 2 243.354 3.491 20 0 BGADLO Cc1cc(C[NH2+]C(C)(C)c2ccc(F)cc2)no1 ZINC000103483159 585330582 /nfs/dbraw/zinc/33/05/82/585330582.db2.gz WJHBFNLTBOTMQR-UHFFFAOYSA-N 1 2 248.301 3.147 20 0 BGADLO Cc1cc(C)c(C[N@@H+](C)CC(F)F)c(C)c1 ZINC000103487433 323252124 /nfs/dbraw/zinc/25/21/24/323252124.db2.gz PXGGFKXICQWEGF-UHFFFAOYSA-N 1 2 227.298 3.309 20 0 BGADLO Cc1cc(C)c(C[N@H+](C)CC(F)F)c(C)c1 ZINC000103487433 323252119 /nfs/dbraw/zinc/25/21/19/323252119.db2.gz PXGGFKXICQWEGF-UHFFFAOYSA-N 1 2 227.298 3.309 20 0 BGADLO CC(C)[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000103490820 384776722 /nfs/dbraw/zinc/77/67/22/384776722.db2.gz PNMSEXIHUKNPAQ-ZDUSSCGKSA-N 1 2 239.746 3.122 20 0 BGADLO CC(C)[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000103490820 384776714 /nfs/dbraw/zinc/77/67/14/384776714.db2.gz PNMSEXIHUKNPAQ-ZDUSSCGKSA-N 1 2 239.746 3.122 20 0 BGADLO CC(C)[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103490823 384776447 /nfs/dbraw/zinc/77/64/47/384776447.db2.gz PNMSEXIHUKNPAQ-CYBMUJFWSA-N 1 2 239.746 3.122 20 0 BGADLO CC(C)[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000103490823 384776444 /nfs/dbraw/zinc/77/64/44/384776444.db2.gz PNMSEXIHUKNPAQ-CYBMUJFWSA-N 1 2 239.746 3.122 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CCCOC1 ZINC000103963750 178298924 /nfs/dbraw/zinc/29/89/24/178298924.db2.gz YKXXUQHCOIESHB-CYBMUJFWSA-N 1 2 242.322 3.134 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CCCOC1 ZINC000103963754 178298810 /nfs/dbraw/zinc/29/88/10/178298810.db2.gz YKXXUQHCOIESHB-ZDUSSCGKSA-N 1 2 242.322 3.134 20 0 BGADLO CC[C@@H](C)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103964471 384790497 /nfs/dbraw/zinc/79/04/97/384790497.db2.gz NUBDZICEFRMSBN-SNVBAGLBSA-N 1 2 243.310 3.061 20 0 BGADLO CC[C@H](C)C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000103964475 171256033 /nfs/dbraw/zinc/25/60/33/171256033.db2.gz NUBDZICEFRMSBN-JTQLQIEISA-N 1 2 243.310 3.061 20 0 BGADLO Cc1cc[nH+]cc1NCc1cccc(F)c1F ZINC000104241332 388582384 /nfs/dbraw/zinc/58/23/84/388582384.db2.gz JWKHRRFDJRGNAC-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]C[C@@H]1CCCOC1 ZINC000104311684 384674787 /nfs/dbraw/zinc/67/47/87/384674787.db2.gz VJHFGBZKWNPZSW-ZDUSSCGKSA-N 1 2 249.354 3.232 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]C[C@H]1CCCOC1 ZINC000104311689 384674861 /nfs/dbraw/zinc/67/48/61/384674861.db2.gz VJHFGBZKWNPZSW-CYBMUJFWSA-N 1 2 249.354 3.232 20 0 BGADLO CCOc1ccc([NH2+]C[C@@H]2CCCOC2)c(C)c1 ZINC000104313131 587952723 /nfs/dbraw/zinc/95/27/23/587952723.db2.gz XSCSOQLKRXKOLT-ZDUSSCGKSA-N 1 2 249.354 3.232 20 0 BGADLO CCOc1ccc([NH2+]C[C@H]2CCCOC2)c(C)c1 ZINC000104313135 587952765 /nfs/dbraw/zinc/95/27/65/587952765.db2.gz XSCSOQLKRXKOLT-CYBMUJFWSA-N 1 2 249.354 3.232 20 0 BGADLO CCCOc1ccc([NH2+]C[C@@H]2CCCOC2)cc1 ZINC000104318591 169319868 /nfs/dbraw/zinc/31/98/68/169319868.db2.gz FDDNBSLOICUHQA-ZDUSSCGKSA-N 1 2 249.354 3.314 20 0 BGADLO CCCOc1ccc([NH2+]C[C@H]2CCCOC2)cc1 ZINC000104318592 169320104 /nfs/dbraw/zinc/32/01/04/169320104.db2.gz FDDNBSLOICUHQA-CYBMUJFWSA-N 1 2 249.354 3.314 20 0 BGADLO CC[C@@H](CC(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000104827761 323295539 /nfs/dbraw/zinc/29/55/39/323295539.db2.gz PATUSTHCNTXRLD-LBPRGKRZSA-N 1 2 234.343 3.401 20 0 BGADLO CC[C@H](CC(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000104827762 323295957 /nfs/dbraw/zinc/29/59/57/323295957.db2.gz PATUSTHCNTXRLD-GFCCVEGCSA-N 1 2 234.343 3.401 20 0 BGADLO c1cc(C[NH2+][C@@H](c2ccccc2)C2CCC2)[nH]n1 ZINC000105430620 384870092 /nfs/dbraw/zinc/87/00/92/384870092.db2.gz GKDUSUPJZJXUBX-HNNXBMFYSA-N 1 2 241.338 3.041 20 0 BGADLO c1cc(C[NH2+][C@H](c2ccccc2)C2CCC2)[nH]n1 ZINC000105430623 384867640 /nfs/dbraw/zinc/86/76/40/384867640.db2.gz GKDUSUPJZJXUBX-OAHLLOKOSA-N 1 2 241.338 3.041 20 0 BGADLO CC[C@H]([NH2+]Cc1ccccn1)c1nc(C)cs1 ZINC000105503944 359023965 /nfs/dbraw/zinc/02/39/65/359023965.db2.gz PAUDXNACGHVHGC-LBPRGKRZSA-N 1 2 247.367 3.087 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccccn1)c1nc(C)cs1 ZINC000105503945 359024703 /nfs/dbraw/zinc/02/47/03/359024703.db2.gz PAUDXNACGHVHGC-GFCCVEGCSA-N 1 2 247.367 3.087 20 0 BGADLO CC[C@H]([NH2+]Cc1ccco1)c1nc(C)cs1 ZINC000105503977 384872474 /nfs/dbraw/zinc/87/24/74/384872474.db2.gz SDIMQIRWKJVXFF-NSHDSACASA-N 1 2 236.340 3.285 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccco1)c1nc(C)cs1 ZINC000105503980 344467719 /nfs/dbraw/zinc/46/77/19/344467719.db2.gz SDIMQIRWKJVXFF-LLVKDONJSA-N 1 2 236.340 3.285 20 0 BGADLO Cc1ccccc1N(Cc1[nH+]ccn1C)C(C)C ZINC000105614935 179295586 /nfs/dbraw/zinc/29/55/86/179295586.db2.gz RNPGUVBAHNGHDS-UHFFFAOYSA-N 1 2 243.354 3.144 20 0 BGADLO c1ccc(NCCc2cccc3cccnc32)[nH+]c1 ZINC000106040389 385089506 /nfs/dbraw/zinc/08/95/06/385089506.db2.gz HIHZBPPYHXGMGM-UHFFFAOYSA-N 1 2 249.317 3.284 20 0 BGADLO Fc1ccccc1C[NH+]1Cc2ccccc2C1 ZINC000106303398 181011507 /nfs/dbraw/zinc/01/15/07/181011507.db2.gz RAOQTVWRBCXROG-UHFFFAOYSA-N 1 2 227.282 3.342 20 0 BGADLO Fc1cccc(C[NH+]2Cc3ccccc3C2)c1F ZINC000106305432 385504239 /nfs/dbraw/zinc/50/42/39/385504239.db2.gz YJSQJIURITWEDJ-UHFFFAOYSA-N 1 2 245.272 3.481 20 0 BGADLO CC(C)[N@H+](Cc1ccccc1)CC(F)F ZINC000106445903 384917887 /nfs/dbraw/zinc/91/78/87/384917887.db2.gz DSCDQEGJIXCYLY-UHFFFAOYSA-N 1 2 213.271 3.162 20 0 BGADLO CC(C)[N@@H+](Cc1ccccc1)CC(F)F ZINC000106445903 384917882 /nfs/dbraw/zinc/91/78/82/384917882.db2.gz DSCDQEGJIXCYLY-UHFFFAOYSA-N 1 2 213.271 3.162 20 0 BGADLO CC(C)c1nc(N(C)Cc2ccccc2)cc[nH+]1 ZINC000106461785 188167671 /nfs/dbraw/zinc/16/76/71/188167671.db2.gz KQURQIXYTZTFSR-UHFFFAOYSA-N 1 2 241.338 3.236 20 0 BGADLO CC(C)c1nc(NCc2ccccc2)cc[nH+]1 ZINC000106461792 385509470 /nfs/dbraw/zinc/50/94/70/385509470.db2.gz ODKFLXWPOVLOMV-UHFFFAOYSA-N 1 2 227.311 3.212 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000106461903 385509898 /nfs/dbraw/zinc/50/98/98/385509898.db2.gz UVZYFXNNCSFOOZ-TXEJJXNPSA-N 1 2 233.359 3.082 20 0 BGADLO CC(C)c1nc(N2C[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000106461904 385509435 /nfs/dbraw/zinc/50/94/35/385509435.db2.gz UVZYFXNNCSFOOZ-RYUDHWBXSA-N 1 2 233.359 3.082 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000106461906 385509727 /nfs/dbraw/zinc/50/97/27/385509727.db2.gz UVZYFXNNCSFOOZ-VXGBXAGGSA-N 1 2 233.359 3.082 20 0 BGADLO CC(C)CCNc1cc[nH+]c(C(C)C)n1 ZINC000106461936 385120114 /nfs/dbraw/zinc/12/01/14/385120114.db2.gz TYGRRONIXBYIRF-UHFFFAOYSA-N 1 2 207.321 3.058 20 0 BGADLO CCC(CC)Nc1cc[nH+]c(C(C)C)n1 ZINC000106462017 168394947 /nfs/dbraw/zinc/39/49/47/168394947.db2.gz JSOJLWNRRCIXEX-UHFFFAOYSA-N 1 2 207.321 3.201 20 0 BGADLO CC(C)c1nc(NCc2ccc(F)cc2)cc[nH+]1 ZINC000106462081 385510087 /nfs/dbraw/zinc/51/00/87/385510087.db2.gz UPNGQCIESTWCPW-UHFFFAOYSA-N 1 2 245.301 3.351 20 0 BGADLO CC(C)c1nc(NCc2ccccc2F)cc[nH+]1 ZINC000106462185 385510310 /nfs/dbraw/zinc/51/03/10/385510310.db2.gz PEAFTGCZPQFJIX-UHFFFAOYSA-N 1 2 245.301 3.351 20 0 BGADLO CC(C)c1nc(NCCc2cccs2)cc[nH+]1 ZINC000106462676 385509406 /nfs/dbraw/zinc/50/94/06/385509406.db2.gz GSJWSQOBEJMRSI-UHFFFAOYSA-N 1 2 247.367 3.316 20 0 BGADLO CC(C)c1nc(N(C)Cc2ccsc2)cc[nH+]1 ZINC000106462943 588283057 /nfs/dbraw/zinc/28/30/57/588283057.db2.gz CWKOHLSTPUAGJG-UHFFFAOYSA-N 1 2 247.367 3.298 20 0 BGADLO CC[C@@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000106464388 385509629 /nfs/dbraw/zinc/50/96/29/385509629.db2.gz DAOMUOOEZUSWDK-GFCCVEGCSA-N 1 2 233.359 3.226 20 0 BGADLO CC[C@H]1CCCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000106464391 385509876 /nfs/dbraw/zinc/50/98/76/385509876.db2.gz DAOMUOOEZUSWDK-LBPRGKRZSA-N 1 2 233.359 3.226 20 0 BGADLO Cc1ccc2c(c1)[C@H](Nc1cccc[nH+]1)CC2 ZINC000106478236 369117576 /nfs/dbraw/zinc/11/75/76/369117576.db2.gz YJQKPFZXDYDKOI-CQSZACIVSA-N 1 2 224.307 3.489 20 0 BGADLO Cc1ccc2c(c1)[C@@H](Nc1cccc[nH+]1)CC2 ZINC000106478238 369117795 /nfs/dbraw/zinc/11/77/95/369117795.db2.gz YJQKPFZXDYDKOI-AWEZNQCLSA-N 1 2 224.307 3.489 20 0 BGADLO FC(F)C[N@@H+](CCc1cccs1)C1CC1 ZINC000106872483 588313906 /nfs/dbraw/zinc/31/39/06/588313906.db2.gz JSWIBWDWXFODBW-UHFFFAOYSA-N 1 2 231.311 3.020 20 0 BGADLO FC(F)C[N@H+](CCc1cccs1)C1CC1 ZINC000106872483 588313905 /nfs/dbraw/zinc/31/39/05/588313905.db2.gz JSWIBWDWXFODBW-UHFFFAOYSA-N 1 2 231.311 3.020 20 0 BGADLO FC(F)C[N@@H+](CCCc1ccccc1)C1CC1 ZINC000106872695 369208739 /nfs/dbraw/zinc/20/87/39/369208739.db2.gz WCCRROCIOFLBCJ-UHFFFAOYSA-N 1 2 239.309 3.349 20 0 BGADLO FC(F)C[N@H+](CCCc1ccccc1)C1CC1 ZINC000106872695 369208735 /nfs/dbraw/zinc/20/87/35/369208735.db2.gz WCCRROCIOFLBCJ-UHFFFAOYSA-N 1 2 239.309 3.349 20 0 BGADLO COc1cc(C)c([NH2+]C(C)C)c(C)c1C ZINC000106889050 588314237 /nfs/dbraw/zinc/31/42/37/588314237.db2.gz ZFHQSCDUYJYZEB-UHFFFAOYSA-N 1 2 207.317 3.441 20 0 BGADLO CCCCCCSc1nc(N)cc(C)[nH+]1 ZINC000106901708 635358663 /nfs/dbraw/zinc/35/86/63/635358663.db2.gz WVCJTHKVPOKSSZ-UHFFFAOYSA-N 1 2 225.361 3.040 20 0 BGADLO Cc1cc(NC(=O)CC2=CCCCC2)cc[nH+]1 ZINC000106902659 178126753 /nfs/dbraw/zinc/12/67/53/178126753.db2.gz XKHAGIGVKZSHCM-UHFFFAOYSA-N 1 2 230.311 3.219 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)c1ccc(F)c(C)c1 ZINC000107038590 385553132 /nfs/dbraw/zinc/55/31/32/385553132.db2.gz DTVPIIWKZNNXTM-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@@H](C)C(C)C ZINC000107286166 384962291 /nfs/dbraw/zinc/96/22/91/384962291.db2.gz GMIPKNIBPPSYFW-SNVBAGLBSA-N 1 2 220.316 3.011 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@H](C)C(C)C ZINC000107286171 384962547 /nfs/dbraw/zinc/96/25/47/384962547.db2.gz GMIPKNIBPPSYFW-JTQLQIEISA-N 1 2 220.316 3.011 20 0 BGADLO Cc1oc(C)c(C(=O)Nc2cc[nH+]cc2C)c1C ZINC000107287453 344236415 /nfs/dbraw/zinc/23/64/15/344236415.db2.gz OUDFLGGWNFXWEY-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO CCc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1 ZINC000107287570 385562869 /nfs/dbraw/zinc/56/28/69/385562869.db2.gz LCWGEVMMTWHMCF-UHFFFAOYSA-N 1 2 240.306 3.205 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)/C=C/c1cccs1 ZINC000107287579 588346452 /nfs/dbraw/zinc/34/64/52/588346452.db2.gz YYKMISJSZTWJRV-SNAWJCMRSA-N 1 2 244.319 3.103 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)CCC1CCCC1 ZINC000107287703 384961510 /nfs/dbraw/zinc/96/15/10/384961510.db2.gz CUAQXFXNLCVYDI-UHFFFAOYSA-N 1 2 232.327 3.299 20 0 BGADLO CC[C@@H](CC(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000107287906 384963517 /nfs/dbraw/zinc/96/35/17/384963517.db2.gz MVJXATGWXCBRGQ-LBPRGKRZSA-N 1 2 234.343 3.401 20 0 BGADLO CC[C@H](CC(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000107287909 384960914 /nfs/dbraw/zinc/96/09/14/384960914.db2.gz MVJXATGWXCBRGQ-GFCCVEGCSA-N 1 2 234.343 3.401 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C1CCCCCC1 ZINC000107288033 384962633 /nfs/dbraw/zinc/96/26/33/384962633.db2.gz YOZZGVBZUGLELA-UHFFFAOYSA-N 1 2 232.327 3.299 20 0 BGADLO Cc1cc(C)cc(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000107288702 385560350 /nfs/dbraw/zinc/56/03/50/385560350.db2.gz COUIUSPOLXFGFI-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@@H](C)CC(C)C ZINC000107288991 384960874 /nfs/dbraw/zinc/96/08/74/384960874.db2.gz MKOPXZHSEGQXAU-NSHDSACASA-N 1 2 234.343 3.401 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@H](C)CC(C)C ZINC000107288995 179707154 /nfs/dbraw/zinc/70/71/54/179707154.db2.gz MKOPXZHSEGQXAU-LLVKDONJSA-N 1 2 234.343 3.401 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)CC1=CCCCC1 ZINC000107289152 384960638 /nfs/dbraw/zinc/96/06/38/384960638.db2.gz COKJCXJDPSXIMJ-UHFFFAOYSA-N 1 2 230.311 3.219 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)c1cccc(Cl)c1 ZINC000107289850 385561827 /nfs/dbraw/zinc/56/18/27/385561827.db2.gz ZURLIGCFPBTSGF-UHFFFAOYSA-N 1 2 246.697 3.296 20 0 BGADLO Cc1ccc(C)c(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000107289977 385560893 /nfs/dbraw/zinc/56/08/93/385560893.db2.gz UNQDMEGUUORKQF-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO Cc1cccc(C(=O)Nc2cc[nH+]cc2C)c1C ZINC000107290886 385561945 /nfs/dbraw/zinc/56/19/45/385561945.db2.gz YLAJVPNBGKSVDL-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)c(C)s1 ZINC000107291016 369341309 /nfs/dbraw/zinc/34/13/09/369341309.db2.gz XXNRFODJKBOTGZ-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO Cc1ccc(F)cc1C(=O)Nc1cc[nH+]cc1C ZINC000107291887 385561444 /nfs/dbraw/zinc/56/14/44/385561444.db2.gz NDBHYBUXWMUXDQ-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1ccsc1C(=O)Nc1cc[nH+]cc1C ZINC000107292139 385561054 /nfs/dbraw/zinc/56/10/54/385561054.db2.gz IBHHPGUWWKUTOT-UHFFFAOYSA-N 1 2 232.308 3.012 20 0 BGADLO CCC[C@@H](C)CC(=O)Nc1cc[nH+]cc1C ZINC000107292490 169357173 /nfs/dbraw/zinc/35/71/73/169357173.db2.gz HUSMZUGTLLCNSY-SNVBAGLBSA-N 1 2 220.316 3.155 20 0 BGADLO CCC[C@H](C)CC(=O)Nc1cc[nH+]cc1C ZINC000107292492 169478682 /nfs/dbraw/zinc/47/86/82/169478682.db2.gz HUSMZUGTLLCNSY-JTQLQIEISA-N 1 2 220.316 3.155 20 0 BGADLO CCc1ccsc1C(=O)Nc1cc[nH+]cc1C ZINC000107292532 347046280 /nfs/dbraw/zinc/04/62/80/347046280.db2.gz QCGSUJLAALSOGG-UHFFFAOYSA-N 1 2 246.335 3.266 20 0 BGADLO CCCCCCC(=O)Nc1cc[nH+]cc1C ZINC000107292921 384961346 /nfs/dbraw/zinc/96/13/46/384961346.db2.gz GDISEXKOTBSHMQ-UHFFFAOYSA-N 1 2 220.316 3.299 20 0 BGADLO CCc1ccc(C(=O)Nc2cc[nH+]cc2C)s1 ZINC000107293152 588346303 /nfs/dbraw/zinc/34/63/03/588346303.db2.gz MQPUZROZDHUSSG-UHFFFAOYSA-N 1 2 246.335 3.266 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)c1ccccc1Cl ZINC000107293312 385560972 /nfs/dbraw/zinc/56/09/72/385560972.db2.gz FHTAUMZFVKHTME-UHFFFAOYSA-N 1 2 246.697 3.296 20 0 BGADLO Cc1cc(C(=O)Nc2cc[nH+]cc2C)sc1C ZINC000107294190 385561848 /nfs/dbraw/zinc/56/18/48/385561848.db2.gz WAPZVXDQCJNBFV-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO Cc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1F ZINC000107294475 385560939 /nfs/dbraw/zinc/56/09/39/385560939.db2.gz UJPDDHHUTLVEPO-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)/C=C/c1ccccc1 ZINC000107294657 359737897 /nfs/dbraw/zinc/73/78/97/359737897.db2.gz HDYPAJJXAVRHRO-BQYQJAHWSA-N 1 2 238.290 3.042 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000107319946 588346952 /nfs/dbraw/zinc/34/69/52/588346952.db2.gz JKHZDNCEXZLUPT-GFCCVEGCSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000107319948 588347006 /nfs/dbraw/zinc/34/70/06/588347006.db2.gz JKHZDNCEXZLUPT-LBPRGKRZSA-N 1 2 243.354 3.186 20 0 BGADLO CC[C@](C)([NH2+]Cc1cn[nH]c1C)c1ccccc1 ZINC000107717974 588400853 /nfs/dbraw/zinc/40/08/53/588400853.db2.gz KBXYLYKADWVMJD-HNNXBMFYSA-N 1 2 243.354 3.133 20 0 BGADLO CC[C@@](C)([NH2+]Cc1cn[nH]c1C)c1ccccc1 ZINC000107717978 588400766 /nfs/dbraw/zinc/40/07/66/588400766.db2.gz KBXYLYKADWVMJD-OAHLLOKOSA-N 1 2 243.354 3.133 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@@H](C)C(C)(C)C ZINC000108816383 384743709 /nfs/dbraw/zinc/74/37/09/384743709.db2.gz JRAREDJLNPIPNA-LLVKDONJSA-N 1 2 234.343 3.401 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@H](C)C(C)(C)C ZINC000108816385 384744135 /nfs/dbraw/zinc/74/41/35/384744135.db2.gz JRAREDJLNPIPNA-NSHDSACASA-N 1 2 234.343 3.401 20 0 BGADLO CC(C)c1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000109828471 385193659 /nfs/dbraw/zinc/19/36/59/385193659.db2.gz LVVCPSAWFJFRTL-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)c1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000109828471 385193652 /nfs/dbraw/zinc/19/36/52/385193652.db2.gz LVVCPSAWFJFRTL-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CCN(Cc1[nH]cc[nH+]1)Cc1ccccc1Cl ZINC000109830363 169936073 /nfs/dbraw/zinc/93/60/73/169936073.db2.gz JFTAHRWDQPBLDQ-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO CC[N@@H+](Cc1ncc[nH]1)Cc1cccc(Cl)c1 ZINC000109830808 344535399 /nfs/dbraw/zinc/53/53/99/344535399.db2.gz IVVGTOVXSHUBMP-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO CC[N@H+](Cc1ncc[nH]1)Cc1cccc(Cl)c1 ZINC000109830808 344535396 /nfs/dbraw/zinc/53/53/96/344535396.db2.gz IVVGTOVXSHUBMP-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ncc[nH]1 ZINC000109831727 369544438 /nfs/dbraw/zinc/54/44/38/369544438.db2.gz ONMSQELFIDVJBC-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ncc[nH]1 ZINC000109831727 369544435 /nfs/dbraw/zinc/54/44/35/369544435.db2.gz ONMSQELFIDVJBC-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ncc[nH]1 ZINC000109831729 369544862 /nfs/dbraw/zinc/54/48/62/369544862.db2.gz ONMSQELFIDVJBC-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1ncc[nH]1 ZINC000109831729 369544860 /nfs/dbraw/zinc/54/48/60/369544860.db2.gz ONMSQELFIDVJBC-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO C[C@@H](c1ccccc1Cl)N(C)Cc1[nH]cc[nH+]1 ZINC000109831764 369544462 /nfs/dbraw/zinc/54/44/62/369544462.db2.gz FZBKPEOBDXIITR-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1ccccc1Cl)N(C)Cc1[nH]cc[nH+]1 ZINC000109831766 369544873 /nfs/dbraw/zinc/54/48/73/369544873.db2.gz FZBKPEOBDXIITR-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO CN(c1cc[nH+]c(C2CC2)n1)C1CCCCC1 ZINC000110110768 387059759 /nfs/dbraw/zinc/05/97/59/387059759.db2.gz KUNUVTOHLFTQQX-UHFFFAOYSA-N 1 2 231.343 3.123 20 0 BGADLO CC(C)c1nc(NC2CCCCC2)cc[nH+]1 ZINC000110110772 167689091 /nfs/dbraw/zinc/68/90/91/167689091.db2.gz VMIGFRIECWDJJD-UHFFFAOYSA-N 1 2 219.332 3.345 20 0 BGADLO c1cc(NC2CCCCC2)nc(C2CC2)[nH+]1 ZINC000110110776 183357012 /nfs/dbraw/zinc/35/70/12/183357012.db2.gz QFCLXMOUALYDCT-UHFFFAOYSA-N 1 2 217.316 3.099 20 0 BGADLO c1ccc(CCNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000110110779 183395418 /nfs/dbraw/zinc/39/54/18/183395418.db2.gz ZSZZMLYVZKMNLU-UHFFFAOYSA-N 1 2 239.322 3.009 20 0 BGADLO CCC(CC)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000110111457 535082593 /nfs/dbraw/zinc/08/25/93/535082593.db2.gz XCKCNPJGAKJDDV-UHFFFAOYSA-N 1 2 248.374 3.067 20 0 BGADLO CCC(CC)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000110111457 535082587 /nfs/dbraw/zinc/08/25/87/535082587.db2.gz XCKCNPJGAKJDDV-UHFFFAOYSA-N 1 2 248.374 3.067 20 0 BGADLO Fc1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000110111800 385211162 /nfs/dbraw/zinc/21/11/62/385211162.db2.gz AUHYWDWPSXDEAC-UHFFFAOYSA-N 1 2 243.285 3.105 20 0 BGADLO CC(C)c1nc(N2CCCCCCC2)cc[nH+]1 ZINC000110111887 588611910 /nfs/dbraw/zinc/61/19/10/588611910.db2.gz UQGQVHDCCSVRBI-UHFFFAOYSA-N 1 2 233.359 3.371 20 0 BGADLO c1cc(N2CCCCCCC2)nc(C2CC2)[nH+]1 ZINC000110111890 387060758 /nfs/dbraw/zinc/06/07/58/387060758.db2.gz KRHWLEBSNYLQTE-UHFFFAOYSA-N 1 2 231.343 3.125 20 0 BGADLO C[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000110111919 176081206 /nfs/dbraw/zinc/08/12/06/176081206.db2.gz YWQFNXQNVRQTNQ-PWSUYJOCSA-N 1 2 231.343 3.345 20 0 BGADLO C[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000110111921 177083270 /nfs/dbraw/zinc/08/32/70/177083270.db2.gz YWQFNXQNVRQTNQ-JQWIXIFHSA-N 1 2 231.343 3.345 20 0 BGADLO C[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000110111923 176089246 /nfs/dbraw/zinc/08/92/46/176089246.db2.gz YWQFNXQNVRQTNQ-ZYHUDNBSSA-N 1 2 231.343 3.345 20 0 BGADLO C[C@H]1CCCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000110111926 177089412 /nfs/dbraw/zinc/08/94/12/177089412.db2.gz YWQFNXQNVRQTNQ-CMPLNLGQSA-N 1 2 231.343 3.345 20 0 BGADLO Cc1ccc(CNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000110111996 385212405 /nfs/dbraw/zinc/21/24/05/385212405.db2.gz DCRZUZRALXLBDX-UHFFFAOYSA-N 1 2 239.322 3.275 20 0 BGADLO CC1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000110112877 168165609 /nfs/dbraw/zinc/16/56/09/168165609.db2.gz OYYCATGIZOHBHF-UHFFFAOYSA-N 1 2 231.343 3.345 20 0 BGADLO CC(C)c1nc(NCc2cccs2)cc[nH+]1 ZINC000110112889 385381433 /nfs/dbraw/zinc/38/14/33/385381433.db2.gz ARBBHQXECIAYGL-UHFFFAOYSA-N 1 2 233.340 3.274 20 0 BGADLO c1csc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110112892 385380758 /nfs/dbraw/zinc/38/07/58/385380758.db2.gz PZXAMKQBIIAEMG-UHFFFAOYSA-N 1 2 231.324 3.028 20 0 BGADLO Fc1ccccc1CNc1cc[nH+]c(C2CC2)n1 ZINC000110112981 181012530 /nfs/dbraw/zinc/01/25/30/181012530.db2.gz UBEKDLAKZMFXCP-UHFFFAOYSA-N 1 2 243.285 3.105 20 0 BGADLO Cc1ccc(CN(C)c2cc[nH+]c(C(C)C)n2)o1 ZINC000110113311 490104368 /nfs/dbraw/zinc/10/43/68/490104368.db2.gz IFKVZTCPLGSZET-UHFFFAOYSA-N 1 2 245.326 3.138 20 0 BGADLO c1csc(CCNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110114332 385212740 /nfs/dbraw/zinc/21/27/40/385212740.db2.gz YYTRGMLUUDSIDZ-UHFFFAOYSA-N 1 2 245.351 3.070 20 0 BGADLO Cc1ccccc1CNc1cc[nH+]c(C2CC2)n1 ZINC000110114706 179286508 /nfs/dbraw/zinc/28/65/08/179286508.db2.gz MCRLBGUXILJTIA-UHFFFAOYSA-N 1 2 239.322 3.275 20 0 BGADLO CN(Cc1ccsc1)c1cc[nH+]c(C2CC2)n1 ZINC000110117571 387060623 /nfs/dbraw/zinc/06/06/23/387060623.db2.gz IZABBYVFPNURNO-UHFFFAOYSA-N 1 2 245.351 3.052 20 0 BGADLO Cc1cccc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110127702 179102768 /nfs/dbraw/zinc/10/27/68/179102768.db2.gz CYFUDEBHCTXAOL-UHFFFAOYSA-N 1 2 239.322 3.275 20 0 BGADLO c1cc(CCNc2cc[nH+]c(C3CC3)n2)cs1 ZINC000110129016 183357007 /nfs/dbraw/zinc/35/70/07/183357007.db2.gz JUORZBQMRRQYIC-UHFFFAOYSA-N 1 2 245.351 3.070 20 0 BGADLO Cn1cc[nH+]c1CSCCCc1ccccc1 ZINC000110152109 385215929 /nfs/dbraw/zinc/21/59/29/385215929.db2.gz XWAOSTVXYSUWFA-UHFFFAOYSA-N 1 2 246.379 3.286 20 0 BGADLO C[C@@H]1CCC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000110195773 176145263 /nfs/dbraw/zinc/14/52/63/176145263.db2.gz FNHTWSKTYNRCES-PWSUYJOCSA-N 1 2 231.343 3.345 20 0 BGADLO C[C@H]1CCC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000110195776 177138455 /nfs/dbraw/zinc/13/84/55/177138455.db2.gz FNHTWSKTYNRCES-JQWIXIFHSA-N 1 2 231.343 3.345 20 0 BGADLO C[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000110195778 176124300 /nfs/dbraw/zinc/12/43/00/176124300.db2.gz FNHTWSKTYNRCES-ZYHUDNBSSA-N 1 2 231.343 3.345 20 0 BGADLO C[C@H]1CCC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000110195781 187372257 /nfs/dbraw/zinc/37/22/57/187372257.db2.gz FNHTWSKTYNRCES-CMPLNLGQSA-N 1 2 231.343 3.345 20 0 BGADLO Fc1cccc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110195852 385220596 /nfs/dbraw/zinc/22/05/96/385220596.db2.gz QLICHGHHRZLCMC-UHFFFAOYSA-N 1 2 243.285 3.105 20 0 BGADLO CC(C)c1nc(NCc2cccc(F)c2)cc[nH+]1 ZINC000110195858 167687936 /nfs/dbraw/zinc/68/79/36/167687936.db2.gz PEFBDJDTGGTRTH-UHFFFAOYSA-N 1 2 245.301 3.351 20 0 BGADLO Cc1ccc(CNc2cc[nH+]c(C3CC3)n2)s1 ZINC000110222615 385224361 /nfs/dbraw/zinc/22/43/61/385224361.db2.gz IXDWPDLHHSYHFP-UHFFFAOYSA-N 1 2 245.351 3.336 20 0 BGADLO Cc1cc(N[C@H](C)Cc2ccccc2C)nc[nH+]1 ZINC000110243473 178186365 /nfs/dbraw/zinc/18/63/65/178186365.db2.gz XIDVBCOZFLNHLM-CYBMUJFWSA-N 1 2 241.338 3.137 20 0 BGADLO Cc1cc(N[C@@H](C)Cc2ccccc2C)nc[nH+]1 ZINC000110243476 178178673 /nfs/dbraw/zinc/17/86/73/178178673.db2.gz XIDVBCOZFLNHLM-ZDUSSCGKSA-N 1 2 241.338 3.137 20 0 BGADLO C1=CC[C@H](CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000110307212 387059732 /nfs/dbraw/zinc/05/97/32/387059732.db2.gz YJCIGRFZQKSBKZ-NSHDSACASA-N 1 2 229.327 3.122 20 0 BGADLO C1=CC[C@@H](CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000110307215 387059955 /nfs/dbraw/zinc/05/99/55/387059955.db2.gz YJCIGRFZQKSBKZ-LLVKDONJSA-N 1 2 229.327 3.122 20 0 BGADLO CCC[C@@H](CC)Nc1cc[nH+]c(C2CC2)n1 ZINC000110334153 169380505 /nfs/dbraw/zinc/38/05/05/169380505.db2.gz QLSRQLUSKAIYPA-LLVKDONJSA-N 1 2 219.332 3.345 20 0 BGADLO CCC[C@H](CC)Nc1cc[nH+]c(C2CC2)n1 ZINC000110334156 397812334 /nfs/dbraw/zinc/81/23/34/397812334.db2.gz QLSRQLUSKAIYPA-NSHDSACASA-N 1 2 219.332 3.345 20 0 BGADLO CC(C)c1nc(N2CC[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000110410911 368752478 /nfs/dbraw/zinc/75/24/78/368752478.db2.gz JZAJEAHFJPVNDK-STQMWFEESA-N 1 2 245.370 3.369 20 0 BGADLO CCN(Cc1ccoc1)c1cc[nH+]c(C(C)C)n1 ZINC000110483011 588674498 /nfs/dbraw/zinc/67/44/98/588674498.db2.gz CMSDUSLEJXRTER-UHFFFAOYSA-N 1 2 245.326 3.220 20 0 BGADLO CC(C)c1nc(N2CCC[C@@H]2C2CCC2)cc[nH+]1 ZINC000110534946 385246305 /nfs/dbraw/zinc/24/63/05/385246305.db2.gz OVUYJUXCKJHBSP-CYBMUJFWSA-N 1 2 245.370 3.369 20 0 BGADLO CC(C)c1nc(N2CCC[C@H]2C2CCC2)cc[nH+]1 ZINC000110534949 187317563 /nfs/dbraw/zinc/31/75/63/187317563.db2.gz OVUYJUXCKJHBSP-ZDUSSCGKSA-N 1 2 245.370 3.369 20 0 BGADLO Cc1cc(NC2CC(c3ccccc3)C2)nc[nH+]1 ZINC000110535289 178153140 /nfs/dbraw/zinc/15/31/40/178153140.db2.gz UWGGTSBUNCGMHW-UHFFFAOYSA-N 1 2 239.322 3.143 20 0 BGADLO CCC(CC)CNc1cc[nH+]c(C2CC2)n1 ZINC000110541613 168366705 /nfs/dbraw/zinc/36/67/05/168366705.db2.gz QQSDFIITEOQMKZ-UHFFFAOYSA-N 1 2 219.332 3.202 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCC[C@H]2C)cc[nH+]1 ZINC000110542754 167690190 /nfs/dbraw/zinc/69/01/90/167690190.db2.gz KKZUKEYUTQTPJE-GHMZBOCLSA-N 1 2 219.332 3.201 20 0 BGADLO CC(C)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000110586289 167688845 /nfs/dbraw/zinc/68/88/45/167688845.db2.gz RMQQQKOREBFPKO-UHFFFAOYSA-N 1 2 239.322 3.120 20 0 BGADLO CC(C)c1nc(N[C@@H](C)c2nccs2)cc[nH+]1 ZINC000110586383 323153653 /nfs/dbraw/zinc/15/36/53/323153653.db2.gz AWSZQVXVKJMUPT-VIFPVBQESA-N 1 2 248.355 3.230 20 0 BGADLO c1ccc(NC[C@H]2CCc3ccccc32)[nH+]c1 ZINC000110595852 397905075 /nfs/dbraw/zinc/90/50/75/397905075.db2.gz IMFYVFPQLVMTAE-CYBMUJFWSA-N 1 2 224.307 3.224 20 0 BGADLO c1ccc(NC[C@@H]2CCc3ccccc32)[nH+]c1 ZINC000110595854 397905098 /nfs/dbraw/zinc/90/50/98/397905098.db2.gz IMFYVFPQLVMTAE-ZDUSSCGKSA-N 1 2 224.307 3.224 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCc1nccs1 ZINC000110922400 588712451 /nfs/dbraw/zinc/71/24/51/588712451.db2.gz HHDYHEVMGMPDDE-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO COc1cc([NH2+]CC2CCCCC2)ccc1N ZINC000111048917 588718321 /nfs/dbraw/zinc/71/83/21/588718321.db2.gz AXPZJXUSZTYCKQ-UHFFFAOYSA-N 1 2 234.343 3.270 20 0 BGADLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000111198969 370105410 /nfs/dbraw/zinc/10/54/10/370105410.db2.gz LFVVHLZZSICSAQ-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ncc[nH]1 ZINC000111198969 370105408 /nfs/dbraw/zinc/10/54/08/370105408.db2.gz LFVVHLZZSICSAQ-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000111198971 370105303 /nfs/dbraw/zinc/10/53/03/370105303.db2.gz LFVVHLZZSICSAQ-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ncc[nH]1 ZINC000111198971 370105302 /nfs/dbraw/zinc/10/53/02/370105302.db2.gz LFVVHLZZSICSAQ-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccncc2)cs1 ZINC000111207866 398332017 /nfs/dbraw/zinc/33/20/17/398332017.db2.gz HYLXUDODVQBNDJ-JTQLQIEISA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccncc2)cs1 ZINC000111207866 398332016 /nfs/dbraw/zinc/33/20/16/398332016.db2.gz HYLXUDODVQBNDJ-JTQLQIEISA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccncc2)cs1 ZINC000111207868 179948534 /nfs/dbraw/zinc/94/85/34/179948534.db2.gz HYLXUDODVQBNDJ-SNVBAGLBSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccncc2)cs1 ZINC000111207868 179948532 /nfs/dbraw/zinc/94/85/32/179948532.db2.gz HYLXUDODVQBNDJ-SNVBAGLBSA-N 1 2 247.367 3.040 20 0 BGADLO CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000111309074 170040964 /nfs/dbraw/zinc/04/09/64/170040964.db2.gz PURXVQFJKVJXAT-GXFFZTMASA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000111309074 170040963 /nfs/dbraw/zinc/04/09/63/170040963.db2.gz PURXVQFJKVJXAT-GXFFZTMASA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000111309076 170032132 /nfs/dbraw/zinc/03/21/32/170032132.db2.gz PURXVQFJKVJXAT-GWCFXTLKSA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000111309076 170032131 /nfs/dbraw/zinc/03/21/31/170032131.db2.gz PURXVQFJKVJXAT-GWCFXTLKSA-N 1 2 239.746 3.122 20 0 BGADLO CC(C)Oc1ccc([NH2+]C[C@@H]2CCCOC2)cc1 ZINC000111318127 588741480 /nfs/dbraw/zinc/74/14/80/588741480.db2.gz UTZQXNWCWBHQFJ-ZDUSSCGKSA-N 1 2 249.354 3.312 20 0 BGADLO CC(C)Oc1ccc([NH2+]C[C@H]2CCCOC2)cc1 ZINC000111318129 588741523 /nfs/dbraw/zinc/74/15/23/588741523.db2.gz UTZQXNWCWBHQFJ-CYBMUJFWSA-N 1 2 249.354 3.312 20 0 BGADLO CCc1nc([C@@H](C)[NH2+]Cc2ccco2)cs1 ZINC000111406301 172002546 /nfs/dbraw/zinc/00/25/46/172002546.db2.gz IHBZGJKKNUJOGD-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO CCc1nc([C@H](C)[NH2+]Cc2ccco2)cs1 ZINC000111406303 172006386 /nfs/dbraw/zinc/00/63/86/172006386.db2.gz IHBZGJKKNUJOGD-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO COCC[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000112013288 383887942 /nfs/dbraw/zinc/88/79/42/383887942.db2.gz JFZARFBTNXVGGU-NSHDSACASA-N 1 2 230.311 3.072 20 0 BGADLO COCC[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000112013291 174386327 /nfs/dbraw/zinc/38/63/27/174386327.db2.gz JFZARFBTNXVGGU-LLVKDONJSA-N 1 2 230.311 3.072 20 0 BGADLO CC[C@@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112072273 385832460 /nfs/dbraw/zinc/83/24/60/385832460.db2.gz GUWGYKMOUGBWRB-SNVBAGLBSA-N 1 2 242.326 3.057 20 0 BGADLO CC[C@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112072275 171349435 /nfs/dbraw/zinc/34/94/35/171349435.db2.gz GUWGYKMOUGBWRB-JTQLQIEISA-N 1 2 242.326 3.057 20 0 BGADLO CCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000112183343 168247563 /nfs/dbraw/zinc/24/75/63/168247563.db2.gz MBAWQPCUUUREJX-UHFFFAOYSA-N 1 2 242.278 3.222 20 0 BGADLO Cc1ccc(F)c(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000112284930 370275144 /nfs/dbraw/zinc/27/51/44/370275144.db2.gz JMDLLNYUPKEYGH-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1cc(NC(=O)/C=C/c2cccs2)cc[nH+]1 ZINC000112298468 588789803 /nfs/dbraw/zinc/78/98/03/588789803.db2.gz XUQXBLQEHUABFM-SNAWJCMRSA-N 1 2 244.319 3.103 20 0 BGADLO Cc1cc(N2CCC[C@@H]2c2ccsc2)nc[nH+]1 ZINC000112514703 178114204 /nfs/dbraw/zinc/11/42/04/178114204.db2.gz SSDIXTJSVKCMJH-GFCCVEGCSA-N 1 2 245.351 3.188 20 0 BGADLO Cc1cc(N2CCC[C@H]2c2ccsc2)nc[nH+]1 ZINC000112514706 178116479 /nfs/dbraw/zinc/11/64/79/178116479.db2.gz SSDIXTJSVKCMJH-LBPRGKRZSA-N 1 2 245.351 3.188 20 0 BGADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2C)o1 ZINC000112516122 383927884 /nfs/dbraw/zinc/92/78/84/383927884.db2.gz RXXSSZCICJDWLZ-MNOVXSKESA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000112516124 383927522 /nfs/dbraw/zinc/92/75/22/383927522.db2.gz RXXSSZCICJDWLZ-QWRGUYRKSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2C)o1 ZINC000112516126 383928938 /nfs/dbraw/zinc/92/89/38/383928938.db2.gz RXXSSZCICJDWLZ-GHMZBOCLSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)o1 ZINC000112516128 383927769 /nfs/dbraw/zinc/92/77/69/383927769.db2.gz RXXSSZCICJDWLZ-WDEREUQCSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2)o1 ZINC000112532567 398332329 /nfs/dbraw/zinc/33/23/29/398332329.db2.gz XTZWAQQJYCFAKB-MNOVXSKESA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)o1 ZINC000112532568 398332321 /nfs/dbraw/zinc/33/23/21/398332321.db2.gz XTZWAQQJYCFAKB-QWRGUYRKSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)o1 ZINC000112532569 398332323 /nfs/dbraw/zinc/33/23/23/398332323.db2.gz XTZWAQQJYCFAKB-GHMZBOCLSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)o1 ZINC000112532570 398332326 /nfs/dbraw/zinc/33/23/26/398332326.db2.gz XTZWAQQJYCFAKB-WDEREUQCSA-N 1 2 245.326 3.098 20 0 BGADLO CC(C)C[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000112554507 188060862 /nfs/dbraw/zinc/06/08/62/188060862.db2.gz HLHKJKNXAWJGGJ-ZDUSSCGKSA-N 1 2 245.370 3.369 20 0 BGADLO CC(C)C[C@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000112554508 387104226 /nfs/dbraw/zinc/10/42/26/387104226.db2.gz HLHKJKNXAWJGGJ-CYBMUJFWSA-N 1 2 245.370 3.369 20 0 BGADLO c1cc(N2CC[C@@H]3CCCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000112554552 187372438 /nfs/dbraw/zinc/37/24/38/187372438.db2.gz YPYMTAGHUGDXJO-AAEUAGOBSA-N 1 2 243.354 3.123 20 0 BGADLO c1cc(N2CCC[C@@H]2C2CCC2)nc(C2CC2)[nH+]1 ZINC000112555666 383931012 /nfs/dbraw/zinc/93/10/12/383931012.db2.gz SENFJUGVGXJMFF-CYBMUJFWSA-N 1 2 243.354 3.123 20 0 BGADLO c1cc(N2CCC[C@H]2C2CCC2)nc(C2CC2)[nH+]1 ZINC000112555669 187806848 /nfs/dbraw/zinc/80/68/48/187806848.db2.gz SENFJUGVGXJMFF-ZDUSSCGKSA-N 1 2 243.354 3.123 20 0 BGADLO CC(C)c1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000112695699 534908084 /nfs/dbraw/zinc/90/80/84/534908084.db2.gz MLFATOOIKGTZKS-UHFFFAOYSA-N 1 2 233.359 3.226 20 0 BGADLO CC(C)c1nc(N[C@@H](C)CC2CC2)cc[nH+]1 ZINC000112695813 385843228 /nfs/dbraw/zinc/84/32/28/385843228.db2.gz YRVHNOCSDWOIBS-JTQLQIEISA-N 1 2 219.332 3.201 20 0 BGADLO CC(C)c1nc(N[C@H](C)CC2CC2)cc[nH+]1 ZINC000112695814 385843942 /nfs/dbraw/zinc/84/39/42/385843942.db2.gz YRVHNOCSDWOIBS-SNVBAGLBSA-N 1 2 219.332 3.201 20 0 BGADLO CC(C)(C)CC[N@@H+](CC(F)F)C1CC1 ZINC000112698002 385843985 /nfs/dbraw/zinc/84/39/85/385843985.db2.gz KZRPHOSQGIHXMQ-UHFFFAOYSA-N 1 2 205.292 3.152 20 0 BGADLO CC(C)(C)CC[N@H+](CC(F)F)C1CC1 ZINC000112698002 385843980 /nfs/dbraw/zinc/84/39/80/385843980.db2.gz KZRPHOSQGIHXMQ-UHFFFAOYSA-N 1 2 205.292 3.152 20 0 BGADLO CC[C@@H]1CCCCN1c1cc[nH+]c(C(C)C)n1 ZINC000112963404 386381913 /nfs/dbraw/zinc/38/19/13/386381913.db2.gz QHYZUNHXUATTER-GFCCVEGCSA-N 1 2 233.359 3.369 20 0 BGADLO CC[C@H]1CCCCN1c1cc[nH+]c(C(C)C)n1 ZINC000112963405 386380900 /nfs/dbraw/zinc/38/09/00/386380900.db2.gz QHYZUNHXUATTER-LBPRGKRZSA-N 1 2 233.359 3.369 20 0 BGADLO CC[C@@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000112963407 591853911 /nfs/dbraw/zinc/85/39/11/591853911.db2.gz TWLQOOCUCJLWLG-GFCCVEGCSA-N 1 2 231.343 3.123 20 0 BGADLO CC[C@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000112963410 591854324 /nfs/dbraw/zinc/85/43/24/591854324.db2.gz TWLQOOCUCJLWLG-LBPRGKRZSA-N 1 2 231.343 3.123 20 0 BGADLO CCC(C)(C)Nc1cc[nH+]c(C(C)C)n1 ZINC000112963831 168303185 /nfs/dbraw/zinc/30/31/85/168303185.db2.gz QRBKNTKSZFACSC-UHFFFAOYSA-N 1 2 207.321 3.201 20 0 BGADLO CCN(c1cc[nH+]c(C2CC2)n1)C1CCCC1 ZINC000112964731 350750879 /nfs/dbraw/zinc/75/08/79/350750879.db2.gz WSOZTYJQYJCHID-UHFFFAOYSA-N 1 2 231.343 3.123 20 0 BGADLO CC(C)c1nc(N(C)C(C2CC2)C2CC2)cc[nH+]1 ZINC000112965605 187675581 /nfs/dbraw/zinc/67/55/81/187675581.db2.gz DOTGYTOOEAUULV-UHFFFAOYSA-N 1 2 245.370 3.225 20 0 BGADLO CCCN(CC(F)F)c1cc[nH+]c(C(C)C)n1 ZINC000112965650 169108741 /nfs/dbraw/zinc/10/87/41/169108741.db2.gz QENLFCGJRURKMS-UHFFFAOYSA-N 1 2 243.301 3.082 20 0 BGADLO C[N@@H+](CC(F)F)[C@@H]1CCCc2ccccc21 ZINC000112975890 386401141 /nfs/dbraw/zinc/40/11/41/386401141.db2.gz YFINIRUXHZHCMZ-GFCCVEGCSA-N 1 2 225.282 3.261 20 0 BGADLO C[N@H+](CC(F)F)[C@@H]1CCCc2ccccc21 ZINC000112975890 386401134 /nfs/dbraw/zinc/40/11/34/386401134.db2.gz YFINIRUXHZHCMZ-GFCCVEGCSA-N 1 2 225.282 3.261 20 0 BGADLO C[N@@H+](CC(F)F)[C@H]1CCCc2ccccc21 ZINC000112975892 386400474 /nfs/dbraw/zinc/40/04/74/386400474.db2.gz YFINIRUXHZHCMZ-LBPRGKRZSA-N 1 2 225.282 3.261 20 0 BGADLO C[N@H+](CC(F)F)[C@H]1CCCc2ccccc21 ZINC000112975892 386400470 /nfs/dbraw/zinc/40/04/70/386400470.db2.gz YFINIRUXHZHCMZ-LBPRGKRZSA-N 1 2 225.282 3.261 20 0 BGADLO Cc1ccccc1[C@@H](C)[N@@H+](C)CC(F)F ZINC000112977526 179317042 /nfs/dbraw/zinc/31/70/42/179317042.db2.gz MUILWNOGJBLUSV-SNVBAGLBSA-N 1 2 213.271 3.253 20 0 BGADLO Cc1ccccc1[C@@H](C)[N@H+](C)CC(F)F ZINC000112977526 179317040 /nfs/dbraw/zinc/31/70/40/179317040.db2.gz MUILWNOGJBLUSV-SNVBAGLBSA-N 1 2 213.271 3.253 20 0 BGADLO Cc1ccccc1[C@H](C)[N@@H+](C)CC(F)F ZINC000112977528 179334722 /nfs/dbraw/zinc/33/47/22/179334722.db2.gz MUILWNOGJBLUSV-JTQLQIEISA-N 1 2 213.271 3.253 20 0 BGADLO Cc1ccccc1[C@H](C)[N@H+](C)CC(F)F ZINC000112977528 179334720 /nfs/dbraw/zinc/33/47/20/179334720.db2.gz MUILWNOGJBLUSV-JTQLQIEISA-N 1 2 213.271 3.253 20 0 BGADLO CC(C)[N@H+](Cc1cccs1)CC(F)F ZINC000112977693 188327271 /nfs/dbraw/zinc/32/72/71/188327271.db2.gz SDOPUTNFYFQWMI-UHFFFAOYSA-N 1 2 219.300 3.224 20 0 BGADLO CC(C)[N@@H+](Cc1cccs1)CC(F)F ZINC000112977693 188327270 /nfs/dbraw/zinc/32/72/70/188327270.db2.gz SDOPUTNFYFQWMI-UHFFFAOYSA-N 1 2 219.300 3.224 20 0 BGADLO CC[C@@H](c1ccccc1)[N@@H+](C)CC(F)F ZINC000112977946 350752759 /nfs/dbraw/zinc/75/27/59/350752759.db2.gz JDGUBIGGEMFCEC-NSHDSACASA-N 1 2 213.271 3.335 20 0 BGADLO CC[C@@H](c1ccccc1)[N@H+](C)CC(F)F ZINC000112977946 350752754 /nfs/dbraw/zinc/75/27/54/350752754.db2.gz JDGUBIGGEMFCEC-NSHDSACASA-N 1 2 213.271 3.335 20 0 BGADLO CC[C@H](c1ccccc1)[N@@H+](C)CC(F)F ZINC000112977947 386402957 /nfs/dbraw/zinc/40/29/57/386402957.db2.gz JDGUBIGGEMFCEC-LLVKDONJSA-N 1 2 213.271 3.335 20 0 BGADLO CC[C@H](c1ccccc1)[N@H+](C)CC(F)F ZINC000112977947 386402954 /nfs/dbraw/zinc/40/29/54/386402954.db2.gz JDGUBIGGEMFCEC-LLVKDONJSA-N 1 2 213.271 3.335 20 0 BGADLO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(F)F ZINC000112977966 323172547 /nfs/dbraw/zinc/17/25/47/323172547.db2.gz LXKVWMLOXNESRU-NSHDSACASA-N 1 2 231.261 3.474 20 0 BGADLO CC[C@@H](c1ccc(F)cc1)[N@H+](C)CC(F)F ZINC000112977966 323172546 /nfs/dbraw/zinc/17/25/46/323172546.db2.gz LXKVWMLOXNESRU-NSHDSACASA-N 1 2 231.261 3.474 20 0 BGADLO CC[C@H](c1ccc(F)cc1)[N@@H+](C)CC(F)F ZINC000112977967 323172663 /nfs/dbraw/zinc/17/26/63/323172663.db2.gz LXKVWMLOXNESRU-LLVKDONJSA-N 1 2 231.261 3.474 20 0 BGADLO CC[C@H](c1ccc(F)cc1)[N@H+](C)CC(F)F ZINC000112977967 323172662 /nfs/dbraw/zinc/17/26/62/323172662.db2.gz LXKVWMLOXNESRU-LLVKDONJSA-N 1 2 231.261 3.474 20 0 BGADLO CC(C)[N@@H+](CCc1ccccc1)CC(F)F ZINC000112977978 398332545 /nfs/dbraw/zinc/33/25/45/398332545.db2.gz RZZWXQKLPHEUGS-UHFFFAOYSA-N 1 2 227.298 3.205 20 0 BGADLO CC(C)[N@H+](CCc1ccccc1)CC(F)F ZINC000112977978 398332544 /nfs/dbraw/zinc/33/25/44/398332544.db2.gz RZZWXQKLPHEUGS-UHFFFAOYSA-N 1 2 227.298 3.205 20 0 BGADLO Cc1ccc(C[N@H+](CC(F)F)C(C)C)cc1 ZINC000112977979 386403942 /nfs/dbraw/zinc/40/39/42/386403942.db2.gz IFDXAYQFJXDVPU-UHFFFAOYSA-N 1 2 227.298 3.471 20 0 BGADLO Cc1ccc(C[N@@H+](CC(F)F)C(C)C)cc1 ZINC000112977979 386403937 /nfs/dbraw/zinc/40/39/37/386403937.db2.gz IFDXAYQFJXDVPU-UHFFFAOYSA-N 1 2 227.298 3.471 20 0 BGADLO CC(C)[N@H+](Cc1ccc(F)cc1)CC(F)F ZINC000112977980 386402709 /nfs/dbraw/zinc/40/27/09/386402709.db2.gz BFHCEDVTQCEPPK-UHFFFAOYSA-N 1 2 231.261 3.301 20 0 BGADLO CC(C)[N@@H+](Cc1ccc(F)cc1)CC(F)F ZINC000112977980 386402703 /nfs/dbraw/zinc/40/27/03/386402703.db2.gz BFHCEDVTQCEPPK-UHFFFAOYSA-N 1 2 231.261 3.301 20 0 BGADLO Cc1cccc(C[N@H+](CC(F)F)C(C)C)c1 ZINC000112977981 179072152 /nfs/dbraw/zinc/07/21/52/179072152.db2.gz JTSWOWPRUGBTCA-UHFFFAOYSA-N 1 2 227.298 3.471 20 0 BGADLO Cc1cccc(C[N@@H+](CC(F)F)C(C)C)c1 ZINC000112977981 179072149 /nfs/dbraw/zinc/07/21/49/179072149.db2.gz JTSWOWPRUGBTCA-UHFFFAOYSA-N 1 2 227.298 3.471 20 0 BGADLO Cc1ccccc1C[N@H+](CC(F)F)C(C)C ZINC000112977983 179271034 /nfs/dbraw/zinc/27/10/34/179271034.db2.gz IAOVFNCGGTVSIU-UHFFFAOYSA-N 1 2 227.298 3.471 20 0 BGADLO Cc1ccccc1C[N@@H+](CC(F)F)C(C)C ZINC000112977983 179271031 /nfs/dbraw/zinc/27/10/31/179271031.db2.gz IAOVFNCGGTVSIU-UHFFFAOYSA-N 1 2 227.298 3.471 20 0 BGADLO COc1cccc(C[N@@H+](CC(F)F)C(C)C)c1 ZINC000112977989 175257227 /nfs/dbraw/zinc/25/72/27/175257227.db2.gz BNDZCPQZXNVPFM-UHFFFAOYSA-N 1 2 243.297 3.171 20 0 BGADLO COc1cccc(C[N@H+](CC(F)F)C(C)C)c1 ZINC000112977989 175257226 /nfs/dbraw/zinc/25/72/26/175257226.db2.gz BNDZCPQZXNVPFM-UHFFFAOYSA-N 1 2 243.297 3.171 20 0 BGADLO COc1ccc(C[N@@H+](CC(F)F)C(C)C)cc1 ZINC000112977992 175096779 /nfs/dbraw/zinc/09/67/79/175096779.db2.gz IKJKUMDUFSMEDB-UHFFFAOYSA-N 1 2 243.297 3.171 20 0 BGADLO COc1ccc(C[N@H+](CC(F)F)C(C)C)cc1 ZINC000112977992 175096777 /nfs/dbraw/zinc/09/67/77/175096777.db2.gz IKJKUMDUFSMEDB-UHFFFAOYSA-N 1 2 243.297 3.171 20 0 BGADLO CCC[N@H+](Cc1cccs1)CC(F)F ZINC000112978007 169180099 /nfs/dbraw/zinc/18/00/99/169180099.db2.gz BGOXRDHAMMJVHH-UHFFFAOYSA-N 1 2 219.300 3.225 20 0 BGADLO CCC[N@@H+](Cc1cccs1)CC(F)F ZINC000112978007 169180096 /nfs/dbraw/zinc/18/00/96/169180096.db2.gz BGOXRDHAMMJVHH-UHFFFAOYSA-N 1 2 219.300 3.225 20 0 BGADLO CC(C)[N@@H+](CCc1ccccc1F)CC(F)F ZINC000112978053 323172683 /nfs/dbraw/zinc/17/26/83/323172683.db2.gz SWUSKICSZPHEMR-UHFFFAOYSA-N 1 2 245.288 3.344 20 0 BGADLO CC(C)[N@H+](CCc1ccccc1F)CC(F)F ZINC000112978053 323172682 /nfs/dbraw/zinc/17/26/82/323172682.db2.gz SWUSKICSZPHEMR-UHFFFAOYSA-N 1 2 245.288 3.344 20 0 BGADLO CC(C)[N@@H+](CCc1cccs1)CC(F)F ZINC000112978054 588822185 /nfs/dbraw/zinc/82/21/85/588822185.db2.gz FFGZSJHLSZHNOL-UHFFFAOYSA-N 1 2 233.327 3.266 20 0 BGADLO CC(C)[N@H+](CCc1cccs1)CC(F)F ZINC000112978054 588822184 /nfs/dbraw/zinc/82/21/84/588822184.db2.gz FFGZSJHLSZHNOL-UHFFFAOYSA-N 1 2 233.327 3.266 20 0 BGADLO CCc1cc(OCCCOC)c2ccccc2[nH+]1 ZINC000113092687 386825864 /nfs/dbraw/zinc/82/58/64/386825864.db2.gz ONHFJEGTHSEXKK-UHFFFAOYSA-N 1 2 245.322 3.213 20 0 BGADLO Cc1ccc(N(C)Cc2[nH+]ccn2C)cc1Cl ZINC000113255639 383972621 /nfs/dbraw/zinc/97/26/21/383972621.db2.gz GTPZJUYCBCXHOT-UHFFFAOYSA-N 1 2 249.745 3.018 20 0 BGADLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cc[nH]n1 ZINC000114188257 176017207 /nfs/dbraw/zinc/01/72/07/176017207.db2.gz VFQHEMIZEBNIEP-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1cc[nH]n1 ZINC000114188257 176017205 /nfs/dbraw/zinc/01/72/05/176017205.db2.gz VFQHEMIZEBNIEP-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cc[nH]n1 ZINC000114188259 177036963 /nfs/dbraw/zinc/03/69/63/177036963.db2.gz VFQHEMIZEBNIEP-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1cc[nH]n1 ZINC000114188259 177036962 /nfs/dbraw/zinc/03/69/62/177036962.db2.gz VFQHEMIZEBNIEP-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO COCCCC[N@H+]1CCCc2cc(C)ccc21 ZINC000114205579 588872089 /nfs/dbraw/zinc/87/20/89/588872089.db2.gz JHZZUKKQIHPKFF-UHFFFAOYSA-N 1 2 233.355 3.174 20 0 BGADLO COCCCC[N@@H+]1CCCc2cc(C)ccc21 ZINC000114205579 588872088 /nfs/dbraw/zinc/87/20/88/588872088.db2.gz JHZZUKKQIHPKFF-UHFFFAOYSA-N 1 2 233.355 3.174 20 0 BGADLO CC[N@@H+](CCCCOC)c1ccccc1C ZINC000114207813 387615977 /nfs/dbraw/zinc/61/59/77/387615977.db2.gz QUFKAXKAGRQUSW-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO CC[N@H+](CCCCOC)c1ccccc1C ZINC000114207813 387615973 /nfs/dbraw/zinc/61/59/73/387615973.db2.gz QUFKAXKAGRQUSW-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO COCCCC[N@@H+](C)c1cc(C)ccc1C ZINC000114207824 174190688 /nfs/dbraw/zinc/19/06/88/174190688.db2.gz MMHHFDHRLSJRTG-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO COCCCC[N@H+](C)c1cc(C)ccc1C ZINC000114207824 174190686 /nfs/dbraw/zinc/19/06/86/174190686.db2.gz MMHHFDHRLSJRTG-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO c1ccc(N2CCC[C@@]3(CC=CCC3)C2)[nH+]c1 ZINC000114451404 132268531 /nfs/dbraw/zinc/26/85/31/132268531.db2.gz KQOFXFQPVOGRCS-HNNXBMFYSA-N 1 2 228.339 3.408 20 0 BGADLO c1ccc(N2CCC[C@]3(CC=CCC3)C2)[nH+]c1 ZINC000114451407 132268691 /nfs/dbraw/zinc/26/86/91/132268691.db2.gz KQOFXFQPVOGRCS-OAHLLOKOSA-N 1 2 228.339 3.408 20 0 BGADLO Cc1cc(N2CCC[C@@]3(CC=CCC3)C2)nc[nH+]1 ZINC000114451561 132268584 /nfs/dbraw/zinc/26/85/84/132268584.db2.gz WZKIMMPKWIZAJU-HNNXBMFYSA-N 1 2 243.354 3.112 20 0 BGADLO Cc1cc(N2CCC[C@]3(CC=CCC3)C2)nc[nH+]1 ZINC000114451563 132268462 /nfs/dbraw/zinc/26/84/62/132268462.db2.gz WZKIMMPKWIZAJU-OAHLLOKOSA-N 1 2 243.354 3.112 20 0 BGADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc[nH]n1 ZINC000114461056 176024306 /nfs/dbraw/zinc/02/43/06/176024306.db2.gz CFPMIRMJBKKDRF-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc[nH]n1 ZINC000114461056 176024305 /nfs/dbraw/zinc/02/43/05/176024305.db2.gz CFPMIRMJBKKDRF-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cc[nH]n1 ZINC000114461057 177041175 /nfs/dbraw/zinc/04/11/75/177041175.db2.gz CFPMIRMJBKKDRF-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc[nH]n1 ZINC000114461057 177041173 /nfs/dbraw/zinc/04/11/73/177041173.db2.gz CFPMIRMJBKKDRF-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C=C1CCC(C)CC1 ZINC000114689029 384049399 /nfs/dbraw/zinc/04/93/99/384049399.db2.gz RMAKZYOXZBNYIO-UHFFFAOYSA-N 1 2 244.338 3.465 20 0 BGADLO Cc1cc(NC(=O)C=C2CCC(C)CC2)cc[nH+]1 ZINC000114690609 588880078 /nfs/dbraw/zinc/88/00/78/588880078.db2.gz BOWRHXLSWLVFRW-UHFFFAOYSA-N 1 2 244.338 3.465 20 0 BGADLO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC000114745188 172088596 /nfs/dbraw/zinc/08/85/96/172088596.db2.gz XHFNMEGAIFVLLP-WDEREUQCSA-N 1 2 245.326 3.044 20 0 BGADLO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccccc2)n1 ZINC000114745189 172092332 /nfs/dbraw/zinc/09/23/32/172092332.db2.gz XHFNMEGAIFVLLP-QWRGUYRKSA-N 1 2 245.326 3.044 20 0 BGADLO CCc1noc([C@@H](C)[NH2+][C@H](C)c2ccccc2)n1 ZINC000114745190 172088991 /nfs/dbraw/zinc/08/89/91/172088991.db2.gz XHFNMEGAIFVLLP-GHMZBOCLSA-N 1 2 245.326 3.044 20 0 BGADLO CCc1noc([C@H](C)[NH2+][C@H](C)c2ccccc2)n1 ZINC000114745192 172092365 /nfs/dbraw/zinc/09/23/65/172092365.db2.gz XHFNMEGAIFVLLP-MNOVXSKESA-N 1 2 245.326 3.044 20 0 BGADLO C[C@@H]1C[C@H](c2ccccc2)CN1c1cccc[nH+]1 ZINC000115520249 370669270 /nfs/dbraw/zinc/66/92/70/370669270.db2.gz QQIKSYXYVCEYQQ-HIFRSBDPSA-N 1 2 238.334 3.464 20 0 BGADLO C[C@H]1C[C@H](c2ccccc2)CN1c1cccc[nH+]1 ZINC000115520252 370669430 /nfs/dbraw/zinc/66/94/30/370669430.db2.gz QQIKSYXYVCEYQQ-ZFWWWQNUSA-N 1 2 238.334 3.464 20 0 BGADLO C[C@@H]1C[C@@H](c2ccccc2)CN1c1cccc[nH+]1 ZINC000115520254 370669412 /nfs/dbraw/zinc/66/94/12/370669412.db2.gz QQIKSYXYVCEYQQ-UKRRQHHQSA-N 1 2 238.334 3.464 20 0 BGADLO C[C@H]1C[C@@H](c2ccccc2)CN1c1cccc[nH+]1 ZINC000115520257 370669719 /nfs/dbraw/zinc/66/97/19/370669719.db2.gz QQIKSYXYVCEYQQ-DZGCQCFKSA-N 1 2 238.334 3.464 20 0 BGADLO CC(C)c1nc(N(CC2CC2)CC2CC2)cc[nH+]1 ZINC000115520692 188328915 /nfs/dbraw/zinc/32/89/15/188328915.db2.gz JIDJJOOMKNKIHM-UHFFFAOYSA-N 1 2 245.370 3.226 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000115630165 179182242 /nfs/dbraw/zinc/18/22/42/179182242.db2.gz KHTYDMVZDNLBCR-CYBMUJFWSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000115630167 179196167 /nfs/dbraw/zinc/19/61/67/179196167.db2.gz KHTYDMVZDNLBCR-ZDUSSCGKSA-N 1 2 243.354 3.186 20 0 BGADLO CCOC(=O)CCC[N@@H+](CC)c1cccc(C)c1 ZINC000115668522 346037863 /nfs/dbraw/zinc/03/78/63/346037863.db2.gz MXOMUFJUBPGMDH-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO CCOC(=O)CCC[N@H+](CC)c1cccc(C)c1 ZINC000115668522 346037858 /nfs/dbraw/zinc/03/78/58/346037858.db2.gz MXOMUFJUBPGMDH-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO Cc1cc(N2CCCC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000116261956 132395511 /nfs/dbraw/zinc/39/55/11/132395511.db2.gz GNQJRAHMVAOMJI-UHFFFAOYSA-N 1 2 245.370 3.289 20 0 BGADLO Cc1cc(N[C@@H](C)CC2CC2)nc(C2CC2)[nH+]1 ZINC000116261960 491122465 /nfs/dbraw/zinc/12/24/65/491122465.db2.gz RYBFSVJNUCTSRI-VIFPVBQESA-N 1 2 231.343 3.263 20 0 BGADLO Cc1cc(N[C@H](C)CC2CC2)nc(C2CC2)[nH+]1 ZINC000116261964 178185919 /nfs/dbraw/zinc/18/59/19/178185919.db2.gz RYBFSVJNUCTSRI-SECBINFHSA-N 1 2 231.343 3.263 20 0 BGADLO c1coc(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000116373961 384131951 /nfs/dbraw/zinc/13/19/51/384131951.db2.gz IZXUSPKZHFOHNO-UHFFFAOYSA-N 1 2 248.351 3.295 20 0 BGADLO Cc1ccc(C[NH2+]C(C)(C)c2nccs2)o1 ZINC000116381223 384131528 /nfs/dbraw/zinc/13/15/28/384131528.db2.gz ROJNZABKOOXEJP-UHFFFAOYSA-N 1 2 236.340 3.069 20 0 BGADLO Cc1csc(C(C)(C)[NH2+]Cc2ccco2)n1 ZINC000116381633 384131454 /nfs/dbraw/zinc/13/14/54/384131454.db2.gz WSSVHAIDGRRSFR-UHFFFAOYSA-N 1 2 236.340 3.069 20 0 BGADLO CC[N@@H+](CCCCCOC)c1ccccc1 ZINC000116877594 386986685 /nfs/dbraw/zinc/98/66/85/386986685.db2.gz GPEFOERVTLSMQT-UHFFFAOYSA-N 1 2 221.344 3.330 20 0 BGADLO CC[N@H+](CCCCCOC)c1ccccc1 ZINC000116877594 386986681 /nfs/dbraw/zinc/98/66/81/386986681.db2.gz GPEFOERVTLSMQT-UHFFFAOYSA-N 1 2 221.344 3.330 20 0 BGADLO CC[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000117326650 384170047 /nfs/dbraw/zinc/17/00/47/384170047.db2.gz KMOZGKWXSPSSIP-GFCCVEGCSA-N 1 2 245.370 3.371 20 0 BGADLO CC[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000117326651 387018385 /nfs/dbraw/zinc/01/83/85/387018385.db2.gz KMOZGKWXSPSSIP-LBPRGKRZSA-N 1 2 245.370 3.371 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)/C=C/C1CCCCC1 ZINC000117795389 388092591 /nfs/dbraw/zinc/09/25/91/388092591.db2.gz DNYUVNAJZPUFHP-BQYQJAHWSA-N 1 2 244.338 3.465 20 0 BGADLO C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccc1)CC(F)F ZINC000117798255 345678492 /nfs/dbraw/zinc/67/84/92/345678492.db2.gz UMZNSWYDJAEXRT-DGCLKSJQSA-N 1 2 239.309 3.410 20 0 BGADLO C[C@@H]1C[C@@H]1C[N@@H+](Cc1ccccc1)CC(F)F ZINC000117798255 345678490 /nfs/dbraw/zinc/67/84/90/345678490.db2.gz UMZNSWYDJAEXRT-DGCLKSJQSA-N 1 2 239.309 3.410 20 0 BGADLO C[C@H]1C[C@@H]1C[N@H+](Cc1ccccc1)CC(F)F ZINC000117798256 345677822 /nfs/dbraw/zinc/67/78/22/345677822.db2.gz UMZNSWYDJAEXRT-WCQYABFASA-N 1 2 239.309 3.410 20 0 BGADLO C[C@H]1C[C@@H]1C[N@@H+](Cc1ccccc1)CC(F)F ZINC000117798256 345677819 /nfs/dbraw/zinc/67/78/19/345677819.db2.gz UMZNSWYDJAEXRT-WCQYABFASA-N 1 2 239.309 3.410 20 0 BGADLO C[C@@H]1C[C@H]1C[N@H+](Cc1ccccc1)CC(F)F ZINC000117798258 345677788 /nfs/dbraw/zinc/67/77/88/345677788.db2.gz UMZNSWYDJAEXRT-YPMHNXCESA-N 1 2 239.309 3.410 20 0 BGADLO C[C@@H]1C[C@H]1C[N@@H+](Cc1ccccc1)CC(F)F ZINC000117798258 345677784 /nfs/dbraw/zinc/67/77/84/345677784.db2.gz UMZNSWYDJAEXRT-YPMHNXCESA-N 1 2 239.309 3.410 20 0 BGADLO C[C@H]1C[C@H]1C[N@H+](Cc1ccccc1)CC(F)F ZINC000117798259 345678471 /nfs/dbraw/zinc/67/84/71/345678471.db2.gz UMZNSWYDJAEXRT-AAEUAGOBSA-N 1 2 239.309 3.410 20 0 BGADLO C[C@H]1C[C@H]1C[N@@H+](Cc1ccccc1)CC(F)F ZINC000117798259 345678468 /nfs/dbraw/zinc/67/84/68/345678468.db2.gz UMZNSWYDJAEXRT-AAEUAGOBSA-N 1 2 239.309 3.410 20 0 BGADLO Cc1cc(NC(=O)/C=C/C2CCCCC2)cc[nH+]1 ZINC000117800989 589127047 /nfs/dbraw/zinc/12/70/47/589127047.db2.gz ZAPZGGLFUYHHPZ-BQYQJAHWSA-N 1 2 244.338 3.465 20 0 BGADLO COCCCC[N@@H+](C)c1ccc(C)cc1C ZINC000117873918 589136498 /nfs/dbraw/zinc/13/64/98/589136498.db2.gz GCDUIAPDCNYCKR-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO COCCCC[N@H+](C)c1ccc(C)cc1C ZINC000117873918 589136497 /nfs/dbraw/zinc/13/64/97/589136497.db2.gz GCDUIAPDCNYCKR-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO COCCCC[N@H+](c1ccccc1)C(C)C ZINC000117874218 174190340 /nfs/dbraw/zinc/19/03/40/174190340.db2.gz KVDZDCPVTUVIAJ-UHFFFAOYSA-N 1 2 221.344 3.328 20 0 BGADLO COCCCC[N@@H+](c1ccccc1)C(C)C ZINC000117874218 174190338 /nfs/dbraw/zinc/19/03/38/174190338.db2.gz KVDZDCPVTUVIAJ-UHFFFAOYSA-N 1 2 221.344 3.328 20 0 BGADLO CCC[C@@H](CC)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000117938954 388094580 /nfs/dbraw/zinc/09/45/80/388094580.db2.gz SXSHDKRRMMDJLW-KGLIPLIRSA-N 1 2 249.354 3.069 20 0 BGADLO CCC[C@H](CC)[NH2+][C@H](C(=O)OC)c1ccccc1 ZINC000117938956 323904306 /nfs/dbraw/zinc/90/43/06/323904306.db2.gz SXSHDKRRMMDJLW-KBPBESRZSA-N 1 2 249.354 3.069 20 0 BGADLO CCC[C@@H](CC)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000117938957 388094472 /nfs/dbraw/zinc/09/44/72/388094472.db2.gz SXSHDKRRMMDJLW-ZIAGYGMSSA-N 1 2 249.354 3.069 20 0 BGADLO CCC[C@H](CC)[NH2+][C@@H](C(=O)OC)c1ccccc1 ZINC000117938959 388094140 /nfs/dbraw/zinc/09/41/40/388094140.db2.gz SXSHDKRRMMDJLW-UONOGXRCSA-N 1 2 249.354 3.069 20 0 BGADLO CC(C)(C)[C@H]1OCCC[C@H]1CNc1cccc[nH+]1 ZINC000118385644 385112924 /nfs/dbraw/zinc/11/29/24/385112924.db2.gz FOIXTAOSNDIPAG-JSGCOSHPSA-N 1 2 248.370 3.335 20 0 BGADLO CC(C)(C)[C@@H]1OCCC[C@H]1CNc1cccc[nH+]1 ZINC000118385648 385113691 /nfs/dbraw/zinc/11/36/91/385113691.db2.gz FOIXTAOSNDIPAG-GXTWGEPZSA-N 1 2 248.370 3.335 20 0 BGADLO CC(C)(C)[C@H]1OCCC[C@@H]1CNc1cccc[nH+]1 ZINC000118385652 385112382 /nfs/dbraw/zinc/11/23/82/385112382.db2.gz FOIXTAOSNDIPAG-OCCSQVGLSA-N 1 2 248.370 3.335 20 0 BGADLO CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1cccc[nH+]1 ZINC000118385656 385113767 /nfs/dbraw/zinc/11/37/67/385113767.db2.gz FOIXTAOSNDIPAG-TZMCWYRMSA-N 1 2 248.370 3.335 20 0 BGADLO Cc1csc(C[N@H+](C)[C@@H](C)c2cccnc2)n1 ZINC000118402574 384199656 /nfs/dbraw/zinc/19/96/56/384199656.db2.gz VETPDFXQSRTBGY-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1csc(C[N@@H+](C)[C@@H](C)c2cccnc2)n1 ZINC000118402574 384199653 /nfs/dbraw/zinc/19/96/53/384199653.db2.gz VETPDFXQSRTBGY-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1csc(C[N@H+](C)[C@H](C)c2cccnc2)n1 ZINC000118402577 384199693 /nfs/dbraw/zinc/19/96/93/384199693.db2.gz VETPDFXQSRTBGY-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1csc(C[N@@H+](C)[C@H](C)c2cccnc2)n1 ZINC000118402577 384199688 /nfs/dbraw/zinc/19/96/88/384199688.db2.gz VETPDFXQSRTBGY-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1csc(C[N@H+](C)[C@@H](C)c2ccncc2)n1 ZINC000118403318 384200532 /nfs/dbraw/zinc/20/05/32/384200532.db2.gz GUKTZMDRRYLVQB-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1csc(C[N@@H+](C)[C@@H](C)c2ccncc2)n1 ZINC000118403318 384200528 /nfs/dbraw/zinc/20/05/28/384200528.db2.gz GUKTZMDRRYLVQB-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1csc(C[N@H+](C)[C@H](C)c2ccncc2)n1 ZINC000118403321 384200144 /nfs/dbraw/zinc/20/01/44/384200144.db2.gz GUKTZMDRRYLVQB-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1csc(C[N@@H+](C)[C@H](C)c2ccncc2)n1 ZINC000118403321 384200139 /nfs/dbraw/zinc/20/01/39/384200139.db2.gz GUKTZMDRRYLVQB-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1csc(C[N@H+](C)Cc2cccc(C)c2)n1 ZINC000118406356 179068557 /nfs/dbraw/zinc/06/85/57/179068557.db2.gz JMVZDWRVIHQRNV-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1csc(C[N@@H+](C)Cc2cccc(C)c2)n1 ZINC000118406356 179068555 /nfs/dbraw/zinc/06/85/55/179068555.db2.gz JMVZDWRVIHQRNV-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1csc(C[N@H+](C)Cc2ccccc2)n1 ZINC000118406557 384200007 /nfs/dbraw/zinc/20/00/07/384200007.db2.gz GHZUJWALRBYKOT-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Cc1csc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000118406557 384199998 /nfs/dbraw/zinc/19/99/98/384199998.db2.gz GHZUJWALRBYKOT-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO CCSCCSc1[nH+]cc2ccccn21 ZINC000118610787 589182614 /nfs/dbraw/zinc/18/26/14/589182614.db2.gz WNCJJYQGETZFBV-UHFFFAOYSA-N 1 2 238.381 3.180 20 0 BGADLO c1coc([C@@H]2CCCCC[N@@H+]2Cc2ccon2)c1 ZINC000119022114 384228147 /nfs/dbraw/zinc/22/81/47/384228147.db2.gz ZJYRKWKETXESBM-ZDUSSCGKSA-N 1 2 246.310 3.385 20 0 BGADLO c1coc([C@@H]2CCCCC[N@H+]2Cc2ccon2)c1 ZINC000119022114 384228138 /nfs/dbraw/zinc/22/81/38/384228138.db2.gz ZJYRKWKETXESBM-ZDUSSCGKSA-N 1 2 246.310 3.385 20 0 BGADLO c1coc([C@H]2CCCCC[N@@H+]2Cc2ccon2)c1 ZINC000119022184 384226128 /nfs/dbraw/zinc/22/61/28/384226128.db2.gz ZJYRKWKETXESBM-CYBMUJFWSA-N 1 2 246.310 3.385 20 0 BGADLO c1coc([C@H]2CCCCC[N@H+]2Cc2ccon2)c1 ZINC000119022184 384226120 /nfs/dbraw/zinc/22/61/20/384226120.db2.gz ZJYRKWKETXESBM-CYBMUJFWSA-N 1 2 246.310 3.385 20 0 BGADLO CCc1noc(C)c1C[NH+]1Cc2ccccc2C1 ZINC000119025066 172078030 /nfs/dbraw/zinc/07/80/30/172078030.db2.gz VBAVCDRZHAHDLD-UHFFFAOYSA-N 1 2 242.322 3.061 20 0 BGADLO Cc1ccc(F)c(CNc2c[nH+]ccc2C)c1 ZINC000119030322 387089818 /nfs/dbraw/zinc/08/98/18/387089818.db2.gz MEJMENXMASSDHZ-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO CCC(CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000119038064 168341856 /nfs/dbraw/zinc/34/18/56/168341856.db2.gz JRGCSDMXUCFNKI-UHFFFAOYSA-N 1 2 220.316 3.073 20 0 BGADLO Cc1cc(C)c(C(=O)Nc2ccc(C)[nH+]c2C)o1 ZINC000119039146 178755653 /nfs/dbraw/zinc/75/56/53/178755653.db2.gz KALSLGMKPRJEND-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO Cc1ccoc1CNc1ccc(C)[nH+]c1C ZINC000119051024 384227822 /nfs/dbraw/zinc/22/78/22/384227822.db2.gz UTQJISYLXUYEMB-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO COCc1ccc(CNc2ccc(C)[nH+]c2C)o1 ZINC000119058539 384958725 /nfs/dbraw/zinc/95/87/25/384958725.db2.gz DCDAEYZBJNUYQY-UHFFFAOYSA-N 1 2 246.310 3.050 20 0 BGADLO Cc1csc(CNc2ccc(C)[nH+]c2C)n1 ZINC000119060445 384231585 /nfs/dbraw/zinc/23/15/85/384231585.db2.gz AOVSNVDEPFEQOI-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1ccsc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000119073029 387092865 /nfs/dbraw/zinc/09/28/65/387092865.db2.gz XHIGIEAPCRIBJD-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO Cc1ccc(NC(=O)CC2CCCC2)c(C)[nH+]1 ZINC000119073350 384230731 /nfs/dbraw/zinc/23/07/31/384230731.db2.gz UCYIKSPPDMQOFQ-UHFFFAOYSA-N 1 2 232.327 3.217 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000119082682 388103862 /nfs/dbraw/zinc/10/38/62/388103862.db2.gz BUCMEMOIAVFFBM-GXFFZTMASA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CCC[C@H](C)C2)c(C)[nH+]1 ZINC000119082776 388103392 /nfs/dbraw/zinc/10/33/92/388103392.db2.gz BUCMEMOIAVFFBM-GWCFXTLKSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000119082864 388103049 /nfs/dbraw/zinc/10/30/49/388103049.db2.gz BUCMEMOIAVFFBM-ZWNOBZJWSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)c(C)[nH+]1 ZINC000119083016 388103360 /nfs/dbraw/zinc/10/33/60/388103360.db2.gz BUCMEMOIAVFFBM-MFKMUULPSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)c2cccc(F)c2)c(C)[nH+]1 ZINC000119119809 487857568 /nfs/dbraw/zinc/85/75/68/487857568.db2.gz RNYKBSYGCANTNT-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1ccc(NC(=O)C2[C@@H]3CCCC[C@H]23)c(C)[nH+]1 ZINC000119124556 384238879 /nfs/dbraw/zinc/23/88/79/384238879.db2.gz CEJZLCWXCWRUAK-ONXXMXGDSA-N 1 2 244.338 3.073 20 0 BGADLO CCCCN(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119143728 384238519 /nfs/dbraw/zinc/23/85/19/384238519.db2.gz KBFAPEWXJLZKLF-UHFFFAOYSA-N 1 2 235.331 3.044 20 0 BGADLO Cc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000119143885 136220727 /nfs/dbraw/zinc/22/07/27/136220727.db2.gz JUDSCPGRPKOBMA-GXFFZTMASA-N 1 2 247.342 3.090 20 0 BGADLO Cc1cc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000119143974 136220645 /nfs/dbraw/zinc/22/06/45/136220645.db2.gz JUDSCPGRPKOBMA-GWCFXTLKSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000119144063 136220684 /nfs/dbraw/zinc/22/06/84/136220684.db2.gz JUDSCPGRPKOBMA-ZWNOBZJWSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1cc(NC(=O)N[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000119144120 136220663 /nfs/dbraw/zinc/22/06/63/136220663.db2.gz JUDSCPGRPKOBMA-MFKMUULPSA-N 1 2 247.342 3.090 20 0 BGADLO C/C=C(\C=C\C(=O)Nc1cc[nH+]cc1C)CC ZINC000119161159 384241863 /nfs/dbraw/zinc/24/18/63/384241863.db2.gz AWTSXCACYOVZLD-QWHRQYHDSA-N 1 2 230.311 3.241 20 0 BGADLO Cc1cc(NC(=O)N[C@@H](C)CCC(C)C)cc[nH+]1 ZINC000119166519 178140516 /nfs/dbraw/zinc/14/05/16/178140516.db2.gz QCGXXSWCKVANGM-NSHDSACASA-N 1 2 249.358 3.336 20 0 BGADLO Cc1cc(NC(=O)N[C@H](C)CCC(C)C)cc[nH+]1 ZINC000119166628 178141981 /nfs/dbraw/zinc/14/19/81/178141981.db2.gz QCGXXSWCKVANGM-LLVKDONJSA-N 1 2 249.358 3.336 20 0 BGADLO Cc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)cc1 ZINC000119167514 387105114 /nfs/dbraw/zinc/10/51/14/387105114.db2.gz OGHMHBVAVOFPKS-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO Cc1cc(NC(=O)NCCC2=CCCC2)cc[nH+]1 ZINC000119174458 178138552 /nfs/dbraw/zinc/13/85/52/178138552.db2.gz DZOSOKYTPKGYKV-UHFFFAOYSA-N 1 2 245.326 3.012 20 0 BGADLO CCC[C@@H](C)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000119184271 169356640 /nfs/dbraw/zinc/35/66/40/169356640.db2.gz IYCHYHYKEJXUAZ-SNVBAGLBSA-N 1 2 234.343 3.463 20 0 BGADLO CCC[C@H](C)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000119184391 384245538 /nfs/dbraw/zinc/24/55/38/384245538.db2.gz IYCHYHYKEJXUAZ-JTQLQIEISA-N 1 2 234.343 3.463 20 0 BGADLO CCCC1(CNC(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000119196480 397987525 /nfs/dbraw/zinc/98/75/25/397987525.db2.gz AODUCWIYOMXZSA-UHFFFAOYSA-N 1 2 247.342 3.092 20 0 BGADLO Cc1ccc(NC(=O)C2CCCCC2)c(C)[nH+]1 ZINC000119215661 384247255 /nfs/dbraw/zinc/24/72/55/384247255.db2.gz CLYVGJFYCAYWQQ-UHFFFAOYSA-N 1 2 232.327 3.217 20 0 BGADLO CCCCCC(=O)Nc1ccc(C)[nH+]c1C ZINC000119251747 384251303 /nfs/dbraw/zinc/25/13/03/384251303.db2.gz FRTPKVGTOCQXFU-UHFFFAOYSA-N 1 2 220.316 3.217 20 0 BGADLO Cc1ccc(NC(=O)/C=C/C(C)(C)C)c(C)[nH+]1 ZINC000119260821 384253313 /nfs/dbraw/zinc/25/33/13/384253313.db2.gz XDLYFQLOALWFHN-CMDGGOBGSA-N 1 2 232.327 3.239 20 0 BGADLO Cc1ccc(NC(=O)CCC(C)C)c(C)[nH+]1 ZINC000119291880 490451234 /nfs/dbraw/zinc/45/12/34/490451234.db2.gz RPSIOEWXYHFANK-UHFFFAOYSA-N 1 2 220.316 3.073 20 0 BGADLO Cc1ccc(NC(=O)CC(C)(C)C)c(C)[nH+]1 ZINC000119296389 387114948 /nfs/dbraw/zinc/11/49/48/387114948.db2.gz KXYWPNRZXGDRJP-UHFFFAOYSA-N 1 2 220.316 3.073 20 0 BGADLO CCCN(CCC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119306261 169143088 /nfs/dbraw/zinc/14/30/88/169143088.db2.gz LNOMECFRJAUROW-UHFFFAOYSA-N 1 2 235.331 3.044 20 0 BGADLO c1c(CSc2ccncc2)[nH+]c2ccccn12 ZINC000119309192 388112845 /nfs/dbraw/zinc/11/28/45/388112845.db2.gz NWBOOORPBGJQNP-UHFFFAOYSA-N 1 2 241.319 3.022 20 0 BGADLO Cc1cccc(C(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000119346902 387121936 /nfs/dbraw/zinc/12/19/36/387121936.db2.gz NSAHKHRRUNATKH-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2C)c(C)o1 ZINC000119347065 384262049 /nfs/dbraw/zinc/26/20/49/384262049.db2.gz KSIRYGIBCIJFJJ-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO CCC(C)(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000119359955 168269478 /nfs/dbraw/zinc/26/94/78/168269478.db2.gz ZRMZGOWEZBLJJX-UHFFFAOYSA-N 1 2 220.316 3.073 20 0 BGADLO Cc1ccc(NC(=O)C[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000119360549 384263539 /nfs/dbraw/zinc/26/35/39/384263539.db2.gz LLYVHRMNDYNLOM-SNVBAGLBSA-N 1 2 234.343 3.319 20 0 BGADLO Cc1ccc(NC(=O)C[C@H](C)C(C)C)c(C)[nH+]1 ZINC000119360687 384264446 /nfs/dbraw/zinc/26/44/46/384264446.db2.gz LLYVHRMNDYNLOM-JTQLQIEISA-N 1 2 234.343 3.319 20 0 BGADLO CC(C)([NH2+]Cc1ccn[nH]1)c1cccc(Cl)c1 ZINC000119379307 188328359 /nfs/dbraw/zinc/32/83/59/188328359.db2.gz HSDBQMLLUSDKMD-UHFFFAOYSA-N 1 2 249.745 3.088 20 0 BGADLO CCC[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000119384323 169353413 /nfs/dbraw/zinc/35/34/13/169353413.db2.gz DSGJKLLGKHSFPX-SECBINFHSA-N 1 2 220.316 3.073 20 0 BGADLO CCC[C@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000119384453 384267815 /nfs/dbraw/zinc/26/78/15/384267815.db2.gz DSGJKLLGKHSFPX-VIFPVBQESA-N 1 2 220.316 3.073 20 0 BGADLO FC(F)C[N@@H+](CCC1CCCC1)C1CC1 ZINC000119386069 387124007 /nfs/dbraw/zinc/12/40/07/387124007.db2.gz AKACZDDDKCLEDB-UHFFFAOYSA-N 1 2 217.303 3.296 20 0 BGADLO FC(F)C[N@H+](CCC1CCCC1)C1CC1 ZINC000119386069 387124002 /nfs/dbraw/zinc/12/40/02/387124002.db2.gz AKACZDDDKCLEDB-UHFFFAOYSA-N 1 2 217.303 3.296 20 0 BGADLO Cc1ccc(NC(=O)c2ccccc2C)c(C)[nH+]1 ZINC000119392440 387125151 /nfs/dbraw/zinc/12/51/51/387125151.db2.gz HPWUKTUYNOCOFN-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO CC[C@@H]1CCCCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000119449291 344850368 /nfs/dbraw/zinc/85/03/68/344850368.db2.gz PFEGQFVYERQWNS-CYBMUJFWSA-N 1 2 247.342 3.186 20 0 BGADLO CC[C@H]1CCCCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000119449395 384273644 /nfs/dbraw/zinc/27/36/44/384273644.db2.gz PFEGQFVYERQWNS-ZDUSSCGKSA-N 1 2 247.342 3.186 20 0 BGADLO Cc1cscc1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119451888 178142107 /nfs/dbraw/zinc/14/21/07/178142107.db2.gz JIXYMMGLHFECSR-UHFFFAOYSA-N 1 2 247.323 3.404 20 0 BGADLO CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119472533 357026290 /nfs/dbraw/zinc/02/62/90/357026290.db2.gz RDJMKVRAMHUOHY-YPMHNXCESA-N 1 2 247.342 3.090 20 0 BGADLO CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119472674 387134541 /nfs/dbraw/zinc/13/45/41/387134541.db2.gz RDJMKVRAMHUOHY-AAEUAGOBSA-N 1 2 247.342 3.090 20 0 BGADLO CC[C@@H]1CCC[C@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119472805 170999159 /nfs/dbraw/zinc/99/91/59/170999159.db2.gz RDJMKVRAMHUOHY-DGCLKSJQSA-N 1 2 247.342 3.090 20 0 BGADLO CC[C@H]1CCC[C@H]1NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119472930 387134325 /nfs/dbraw/zinc/13/43/25/387134325.db2.gz RDJMKVRAMHUOHY-WCQYABFASA-N 1 2 247.342 3.090 20 0 BGADLO CC[C@@H](C)CN(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119476062 384276589 /nfs/dbraw/zinc/27/65/89/384276589.db2.gz IKPVWRKNZHFLTP-LLVKDONJSA-N 1 2 249.358 3.290 20 0 BGADLO CC[C@H](C)CN(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119476179 171277230 /nfs/dbraw/zinc/27/72/30/171277230.db2.gz IKPVWRKNZHFLTP-NSHDSACASA-N 1 2 249.358 3.290 20 0 BGADLO CCN(C(=O)Nc1cc[nH+]c(C)c1)C1CCCC1 ZINC000119477882 384276643 /nfs/dbraw/zinc/27/66/43/384276643.db2.gz VCFARZIWOLZNIS-UHFFFAOYSA-N 1 2 247.342 3.186 20 0 BGADLO CCC(C)(CC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119482384 168308489 /nfs/dbraw/zinc/30/84/89/168308489.db2.gz AGAAKWXYJLCXFP-UHFFFAOYSA-N 1 2 235.331 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000119482886 385672012 /nfs/dbraw/zinc/67/20/12/385672012.db2.gz VXBNJVKAAQKCRR-CMPLNLGQSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000119483053 179712312 /nfs/dbraw/zinc/71/23/12/179712312.db2.gz VXBNJVKAAQKCRR-JQWIXIFHSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000119483159 385672798 /nfs/dbraw/zinc/67/27/98/385672798.db2.gz VXBNJVKAAQKCRR-ZYHUDNBSSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000119483276 385673071 /nfs/dbraw/zinc/67/30/71/385673071.db2.gz VXBNJVKAAQKCRR-PWSUYJOCSA-N 1 2 232.327 3.155 20 0 BGADLO CCC(CC)(CC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119492542 168316542 /nfs/dbraw/zinc/31/65/42/168316542.db2.gz CNYGLDIUDZLFKI-UHFFFAOYSA-N 1 2 249.358 3.480 20 0 BGADLO Cc1cc(NC(=O)N(C)CC2CCCC2)cc[nH+]1 ZINC000119528864 178135745 /nfs/dbraw/zinc/13/57/45/178135745.db2.gz GAYIXGQYAFYJTL-UHFFFAOYSA-N 1 2 247.342 3.044 20 0 BGADLO Cc1cc(NC(=O)N[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000119544955 136220818 /nfs/dbraw/zinc/22/08/18/136220818.db2.gz YXWRLNCEQIIMRD-CMPLNLGQSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1cc(NC(=O)N[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000119545110 136220852 /nfs/dbraw/zinc/22/08/52/136220852.db2.gz YXWRLNCEQIIMRD-JQWIXIFHSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1cc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000119545237 136220773 /nfs/dbraw/zinc/22/07/73/136220773.db2.gz YXWRLNCEQIIMRD-ZYHUDNBSSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1cc(NC(=O)N[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000119545347 136220828 /nfs/dbraw/zinc/22/08/28/136220828.db2.gz YXWRLNCEQIIMRD-PWSUYJOCSA-N 1 2 247.342 3.090 20 0 BGADLO CC[C@@H]1CCCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000119550405 344853388 /nfs/dbraw/zinc/85/33/88/344853388.db2.gz YADMGZBJKFMEPP-GFCCVEGCSA-N 1 2 247.342 3.044 20 0 BGADLO CC[C@H]1CCCN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000119550525 384284846 /nfs/dbraw/zinc/28/48/46/384284846.db2.gz YADMGZBJKFMEPP-LBPRGKRZSA-N 1 2 247.342 3.044 20 0 BGADLO CCC1(C(=O)Nc2cc[nH+]cc2C)CCCC1 ZINC000119551691 384282957 /nfs/dbraw/zinc/28/29/57/384282957.db2.gz YJOVGMZFAJTZPV-UHFFFAOYSA-N 1 2 232.327 3.299 20 0 BGADLO Cc1c[nH+]cc(NCc2ccc(F)cc2C)c1 ZINC000119552975 387141087 /nfs/dbraw/zinc/14/10/87/387141087.db2.gz QTJNCEUCJAROMC-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1c[nH+]cc(NCc2cccc(F)c2F)c1 ZINC000119554496 387140318 /nfs/dbraw/zinc/14/03/18/387140318.db2.gz WTVGDLQMXRCHDN-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO CCOc1ccccc1CNc1c[nH+]cc(C)c1 ZINC000119567804 384869236 /nfs/dbraw/zinc/86/92/36/384869236.db2.gz KVCZFKGZXVPJCR-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO Cc1c[nH+]cc(NCc2ccccc2C)c1 ZINC000119572372 387142196 /nfs/dbraw/zinc/14/21/96/387142196.db2.gz GOGONDBTHFLWLD-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1cccc(CNc2c[nH+]cc(C)c2)c1 ZINC000119572578 188247877 /nfs/dbraw/zinc/24/78/77/188247877.db2.gz DBUVHGXULONDPV-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO Cc1nc(C)c(CNc2c[nH+]cc(C)c2)s1 ZINC000119577487 384286183 /nfs/dbraw/zinc/28/61/83/384286183.db2.gz ITQQBQDHJZBIPR-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1c[nH+]cc(NCc2ccccc2F)c1 ZINC000119586147 387143596 /nfs/dbraw/zinc/14/35/96/387143596.db2.gz WOHKRRUOJMLRCG-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1c[nH+]cc(NCc2ccc(F)c(C)c2)c1 ZINC000119590157 179681279 /nfs/dbraw/zinc/68/12/79/179681279.db2.gz FPGMRGOZUGWTNP-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1c[nH+]cc(NCc2ccc(C)c(F)c2)c1 ZINC000119590383 387144343 /nfs/dbraw/zinc/14/43/43/387144343.db2.gz ONLWJJTWNCTEJI-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(CNc2c[nH+]cc(C)c2)cc1 ZINC000119599585 387144385 /nfs/dbraw/zinc/14/43/85/387144385.db2.gz OHUKBIPSEMACLZ-UHFFFAOYSA-N 1 2 212.296 3.311 20 0 BGADLO CCOc1cccc(CNc2c[nH+]cc(C)c2)c1 ZINC000119601415 384883530 /nfs/dbraw/zinc/88/35/30/384883530.db2.gz RKRMVNKVVSRTDX-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO CCc1ccc(CNc2c[nH+]cc(C)c2)o1 ZINC000119604789 384287971 /nfs/dbraw/zinc/28/79/71/384287971.db2.gz KTJYMCWBEOKFGF-UHFFFAOYSA-N 1 2 216.284 3.158 20 0 BGADLO Cc1c[nH+]cc(NCc2cccs2)c1 ZINC000119606767 384889421 /nfs/dbraw/zinc/88/94/21/384889421.db2.gz YUUORDJCILSNLN-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO Cc1ccsc1CNc1c[nH+]cc(C)c1 ZINC000119606933 385132754 /nfs/dbraw/zinc/13/27/54/385132754.db2.gz ZBNNFTHJWUWWRS-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO COc1ccc(CNc2c[nH+]cc(C)c2)cc1F ZINC000119607302 387555318 /nfs/dbraw/zinc/55/53/18/387555318.db2.gz KWRZXZHZLKSCBC-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO Cc1ccc(F)c(CNc2c[nH+]cc(C)c2)c1 ZINC000119610124 387554422 /nfs/dbraw/zinc/55/44/22/387554422.db2.gz XXWABOBPSWKLJE-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1c[nH+]cc(NCc2ccc(F)cc2F)c1 ZINC000119610619 387140948 /nfs/dbraw/zinc/14/09/48/387140948.db2.gz JCYJDYLQEVLSLA-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1c[nH+]cc(NCc2cccc(F)c2)c1 ZINC000119610783 384899135 /nfs/dbraw/zinc/89/91/35/384899135.db2.gz JFHSKYXLWNVAKA-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO COc1ccccc1CNc1c[nH+]cc(C)c1 ZINC000119610912 175331688 /nfs/dbraw/zinc/33/16/88/175331688.db2.gz SWBWAMLMDVSNPL-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO Cc1c[nH+]cc(NCc2c(F)cccc2F)c1 ZINC000119611388 384895588 /nfs/dbraw/zinc/89/55/88/384895588.db2.gz UCVWXAUJKQBXHZ-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1ccc(CNc2c[nH+]cc(C)c2)s1 ZINC000119612034 385133050 /nfs/dbraw/zinc/13/30/50/385133050.db2.gz WRXVWQKMPKVEPV-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1cc(NC(=O)NCCCC(C)(C)C)cc[nH+]1 ZINC000119613212 387142471 /nfs/dbraw/zinc/14/24/71/387142471.db2.gz GHTDUWNJNQGQHF-UHFFFAOYSA-N 1 2 249.358 3.338 20 0 BGADLO Cc1c[nH+]cc(NCc2cccc3[nH]ccc32)c1 ZINC000119613659 179682344 /nfs/dbraw/zinc/68/23/44/179682344.db2.gz JBENVZDDRHXJNI-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO COc1cccc(CNc2c[nH+]cc(C)c2)c1 ZINC000119624002 175268898 /nfs/dbraw/zinc/26/88/98/175268898.db2.gz LRCSWEUDUBCVIQ-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO CCOc1ccc(CNc2c[nH+]cc(C)c2)cc1 ZINC000119624154 384908798 /nfs/dbraw/zinc/90/87/98/384908798.db2.gz KOXBCVWDGCIXHC-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO CCC1CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000119626825 384910269 /nfs/dbraw/zinc/91/02/69/384910269.db2.gz NWTHXHDRHFORNN-UHFFFAOYSA-N 1 2 247.342 3.044 20 0 BGADLO Cc1c[nH+]cc(NCc2ccc(F)c(F)c2)c1 ZINC000119626942 384910473 /nfs/dbraw/zinc/91/04/73/384910473.db2.gz NMAXDGOZVCDZCZ-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1c[nH+]cc(NCc2ccsc2)c1 ZINC000119628742 398327425 /nfs/dbraw/zinc/32/74/25/398327425.db2.gz MPBZUVPYBXARII-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO COc1ccc(C)cc1CNc1c[nH+]cc(C)c1 ZINC000119629254 175075835 /nfs/dbraw/zinc/07/58/35/175075835.db2.gz BDPYFVBGXQCGKR-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1c[nH+]cc(NCc2cc(F)ccc2F)c1 ZINC000119632018 387555545 /nfs/dbraw/zinc/55/55/45/387555545.db2.gz JFZUEWXZYIHVRZ-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO CCCCCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000119675861 589323120 /nfs/dbraw/zinc/32/31/20/589323120.db2.gz UTKBXINQVKWZJR-UHFFFAOYSA-N 1 2 235.331 3.092 20 0 BGADLO Cc1cc(NC(=O)N(C)[C@@H](C)C2(C)CC2)cc[nH+]1 ZINC000119692586 178135948 /nfs/dbraw/zinc/13/59/48/178135948.db2.gz XRHVDVZZFRNKRU-NSHDSACASA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(NC(=O)N(C)[C@H](C)C2(C)CC2)cc[nH+]1 ZINC000119692734 178135833 /nfs/dbraw/zinc/13/58/33/178135833.db2.gz XRHVDVZZFRNKRU-LLVKDONJSA-N 1 2 247.342 3.042 20 0 BGADLO CC(C)[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC000119697147 191068815 /nfs/dbraw/zinc/06/88/15/191068815.db2.gz GLOYWXIMBIWDHA-UHFFFAOYSA-N 1 2 233.355 3.076 20 0 BGADLO CC(C)[N@H+](Cc1ccccc1)C1CCOCC1 ZINC000119697147 191068811 /nfs/dbraw/zinc/06/88/11/191068811.db2.gz GLOYWXIMBIWDHA-UHFFFAOYSA-N 1 2 233.355 3.076 20 0 BGADLO CCC(=O)Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1 ZINC000119700980 187294388 /nfs/dbraw/zinc/29/43/88/187294388.db2.gz XGJDAURFCWSZMF-UHFFFAOYSA-N 1 2 243.310 3.179 20 0 BGADLO Cc1cc(N2CCCC2)c2cccc(F)c2[nH+]1 ZINC000119715809 178112889 /nfs/dbraw/zinc/11/28/89/178112889.db2.gz SVTKNEJOYFDRCP-UHFFFAOYSA-N 1 2 230.286 3.283 20 0 BGADLO CCCC(C)(C)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119719075 384298135 /nfs/dbraw/zinc/29/81/35/384298135.db2.gz VGXPLKSKKBHOMY-UHFFFAOYSA-N 1 2 235.331 3.090 20 0 BGADLO COCCCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000119731077 174251572 /nfs/dbraw/zinc/25/15/72/174251572.db2.gz PHJWLHMMYRRUIP-UHFFFAOYSA-N 1 2 248.301 3.131 20 0 BGADLO Cc1cc(NC(=O)NCC2(C)CCCC2)cc[nH+]1 ZINC000119731986 178138290 /nfs/dbraw/zinc/13/82/90/178138290.db2.gz DSBWVKZERJBJIH-UHFFFAOYSA-N 1 2 247.342 3.092 20 0 BGADLO Cc1cc(C)cc(CSCc2[nH+]ccn2C)c1 ZINC000119755152 387146859 /nfs/dbraw/zinc/14/68/59/387146859.db2.gz QBGSWNULPRVORO-UHFFFAOYSA-N 1 2 246.379 3.470 20 0 BGADLO COC[C@@H](C)Nc1cc(C)[nH+]c2c(F)cccc12 ZINC000119758391 386639734 /nfs/dbraw/zinc/63/97/34/386639734.db2.gz JXVNWPJCHGOYFE-SNVBAGLBSA-N 1 2 248.301 3.129 20 0 BGADLO Cc1cc(NC(=O)N2CCCC(C)(C)C2)cc[nH+]1 ZINC000119802684 178136086 /nfs/dbraw/zinc/13/60/86/178136086.db2.gz YOFLBMOHLXOABP-UHFFFAOYSA-N 1 2 247.342 3.044 20 0 BGADLO CCC1(CNC(=O)Nc2cc[nH+]c(C)c2)CCC1 ZINC000119836629 383886544 /nfs/dbraw/zinc/88/65/44/383886544.db2.gz MJARSEZSCNXEPB-UHFFFAOYSA-N 1 2 247.342 3.092 20 0 BGADLO Cc1cc(NC(=O)N2CCCCCCC2)cc[nH+]1 ZINC000119857964 178136316 /nfs/dbraw/zinc/13/63/16/178136316.db2.gz IUOKFAIYCQFJNJ-UHFFFAOYSA-N 1 2 247.342 3.188 20 0 BGADLO CCC[C@@H](CC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119884173 169377791 /nfs/dbraw/zinc/37/77/91/169377791.db2.gz WRAPTWORPQVJKX-LLVKDONJSA-N 1 2 235.331 3.090 20 0 BGADLO CCC[C@H](CC)NC(=O)Nc1cc[nH+]c(C)c1 ZINC000119884355 384312003 /nfs/dbraw/zinc/31/20/03/384312003.db2.gz WRAPTWORPQVJKX-NSHDSACASA-N 1 2 235.331 3.090 20 0 BGADLO Fc1cc(F)cc(C[NH+]2Cc3ccccc3C2)c1 ZINC000119942554 384031862 /nfs/dbraw/zinc/03/18/62/384031862.db2.gz VHEIOPOECRQIPX-UHFFFAOYSA-N 1 2 245.272 3.481 20 0 BGADLO Cc1cc(NC(=O)N(C)C2CCCCC2)cc[nH+]1 ZINC000119953734 178135292 /nfs/dbraw/zinc/13/52/92/178135292.db2.gz CTDGHPWNRCMJKI-UHFFFAOYSA-N 1 2 247.342 3.186 20 0 BGADLO CCCN(CC1CC1)C(=O)Nc1cc[nH+]c(C)c1 ZINC000119954981 169135476 /nfs/dbraw/zinc/13/54/76/169135476.db2.gz GFCBRBLAEQYYEA-UHFFFAOYSA-N 1 2 247.342 3.044 20 0 BGADLO CCCCCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120135184 384332236 /nfs/dbraw/zinc/33/22/36/384332236.db2.gz VLOSGSUITYZPOA-GFCCVEGCSA-N 1 2 249.358 3.044 20 0 BGADLO CCCCCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120135305 384330995 /nfs/dbraw/zinc/33/09/95/384330995.db2.gz VLOSGSUITYZPOA-LBPRGKRZSA-N 1 2 249.358 3.044 20 0 BGADLO Cc1cc(NCc2ccco2)ccc1[NH+](C)C ZINC000120155211 178175557 /nfs/dbraw/zinc/17/55/57/178175557.db2.gz JWYAOIMCVXZPOR-UHFFFAOYSA-N 1 2 230.311 3.266 20 0 BGADLO C[N@@H+](CC(F)F)CC1CCCCCC1 ZINC000120164839 384333157 /nfs/dbraw/zinc/33/31/57/384333157.db2.gz KGXOUUPLVQQUBN-UHFFFAOYSA-N 1 2 205.292 3.154 20 0 BGADLO C[N@H+](CC(F)F)CC1CCCCCC1 ZINC000120164839 384333155 /nfs/dbraw/zinc/33/31/55/384333155.db2.gz KGXOUUPLVQQUBN-UHFFFAOYSA-N 1 2 205.292 3.154 20 0 BGADLO Cc1cc(NCc2cccn2C)ccc1[NH+](C)C ZINC000120166605 178174442 /nfs/dbraw/zinc/17/44/42/178174442.db2.gz MPEXYBCKDDVNND-UHFFFAOYSA-N 1 2 243.354 3.012 20 0 BGADLO CCC1(C(=O)Nc2cc[nH+]c(C)c2)CCCC1 ZINC000120193716 387193565 /nfs/dbraw/zinc/19/35/65/387193565.db2.gz GDLRGMBQKZUWSU-UHFFFAOYSA-N 1 2 232.327 3.299 20 0 BGADLO Cc1cc(NC(=O)N[C@@H]2CCCC2(C)C)cc[nH+]1 ZINC000120196083 178140272 /nfs/dbraw/zinc/14/02/72/178140272.db2.gz LBIOLYDSPBLWIR-GFCCVEGCSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1cc(NC(=O)N[C@H]2CCCC2(C)C)cc[nH+]1 ZINC000120196206 178142257 /nfs/dbraw/zinc/14/22/57/178142257.db2.gz LBIOLYDSPBLWIR-LBPRGKRZSA-N 1 2 247.342 3.090 20 0 BGADLO CCSCc1cn2cc(Cl)ccc2[nH+]1 ZINC000120203291 387209024 /nfs/dbraw/zinc/20/90/24/387209024.db2.gz KSLXIXFWLJQLQA-UHFFFAOYSA-N 1 2 226.732 3.241 20 0 BGADLO Cc1cc(C[N@@H+](C)C/C=C/c2ccccc2)no1 ZINC000120212167 384337290 /nfs/dbraw/zinc/33/72/90/384337290.db2.gz DLILFLAGXYAEDE-RMKNXTFCSA-N 1 2 242.322 3.128 20 0 BGADLO Cc1cc(C[N@H+](C)C/C=C/c2ccccc2)no1 ZINC000120212167 384337281 /nfs/dbraw/zinc/33/72/81/384337281.db2.gz DLILFLAGXYAEDE-RMKNXTFCSA-N 1 2 242.322 3.128 20 0 BGADLO Cc1cc(NC(=O)[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000120213290 178145206 /nfs/dbraw/zinc/14/52/06/178145206.db2.gz IHNMDBMMHCLUQO-CMPLNLGQSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cc(NC(=O)[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000120213490 178148176 /nfs/dbraw/zinc/14/81/76/178148176.db2.gz IHNMDBMMHCLUQO-JQWIXIFHSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000120213635 178145868 /nfs/dbraw/zinc/14/58/68/178145868.db2.gz IHNMDBMMHCLUQO-ZYHUDNBSSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cc(NC(=O)[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000120213804 178147781 /nfs/dbraw/zinc/14/77/81/178147781.db2.gz IHNMDBMMHCLUQO-PWSUYJOCSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cccc(C[N@@H+](C)Cc2cscn2)c1C ZINC000120226053 179068388 /nfs/dbraw/zinc/06/83/88/179068388.db2.gz PCLJQRGGNBRNND-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cccc(C[N@H+](C)Cc2cscn2)c1C ZINC000120226053 179068386 /nfs/dbraw/zinc/06/83/86/179068386.db2.gz PCLJQRGGNBRNND-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO C[N@@H+](CCCC1CCCC1)CC(F)F ZINC000120239074 387214340 /nfs/dbraw/zinc/21/43/40/387214340.db2.gz XADMFDCMDCTHQH-UHFFFAOYSA-N 1 2 205.292 3.154 20 0 BGADLO C[N@H+](CCCC1CCCC1)CC(F)F ZINC000120239074 387214338 /nfs/dbraw/zinc/21/43/38/387214338.db2.gz XADMFDCMDCTHQH-UHFFFAOYSA-N 1 2 205.292 3.154 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2cscn2)cc1C ZINC000120245793 384340773 /nfs/dbraw/zinc/34/07/73/384340773.db2.gz DYMDBQUFTPKXQI-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2cscn2)cc1C ZINC000120245793 384340769 /nfs/dbraw/zinc/34/07/69/384340769.db2.gz DYMDBQUFTPKXQI-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO CN(CCC1CC1)c1cc(C(F)(F)F)cc[nH+]1 ZINC000120289860 386663529 /nfs/dbraw/zinc/66/35/29/386663529.db2.gz UPCVGPKHNPHHLM-UHFFFAOYSA-N 1 2 244.260 3.337 20 0 BGADLO CN(CCC1CC1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000120293624 386663387 /nfs/dbraw/zinc/66/33/87/386663387.db2.gz LBKSUCYBILJBNY-UHFFFAOYSA-N 1 2 233.359 3.010 20 0 BGADLO CCCCN(CC)C(=O)Nc1cc[nH+]cc1C ZINC000120295075 384347548 /nfs/dbraw/zinc/34/75/48/384347548.db2.gz QNQMILUUOHXGDM-UHFFFAOYSA-N 1 2 235.331 3.044 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000120295250 384346066 /nfs/dbraw/zinc/34/60/66/384346066.db2.gz ZHXJGVMUDKAUAX-CMPLNLGQSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000120295383 384346770 /nfs/dbraw/zinc/34/67/70/384346770.db2.gz ZHXJGVMUDKAUAX-JQWIXIFHSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000120295554 384347090 /nfs/dbraw/zinc/34/70/90/384347090.db2.gz ZHXJGVMUDKAUAX-ZYHUDNBSSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCCC[C@H]1C ZINC000120295720 179709796 /nfs/dbraw/zinc/70/97/96/179709796.db2.gz ZHXJGVMUDKAUAX-PWSUYJOCSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)CCC(C)C ZINC000120368533 384349387 /nfs/dbraw/zinc/34/93/87/384349387.db2.gz DNTJOWXPAFIUEW-LBPRGKRZSA-N 1 2 249.358 3.336 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)CCC(C)C ZINC000120368712 384349432 /nfs/dbraw/zinc/34/94/32/384349432.db2.gz DNTJOWXPAFIUEW-GFCCVEGCSA-N 1 2 249.358 3.336 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)NCCC1=CCCC1 ZINC000120384711 179706716 /nfs/dbraw/zinc/70/67/16/179706716.db2.gz SLRPZDMHHTVWHT-UHFFFAOYSA-N 1 2 245.326 3.012 20 0 BGADLO CCCCSCc1cn2ccccc2[nH+]1 ZINC000120404949 357049502 /nfs/dbraw/zinc/04/95/02/357049502.db2.gz FIVKTZYCRVMHFX-UHFFFAOYSA-N 1 2 220.341 3.368 20 0 BGADLO CCCC1(CNC(=O)Nc2cc[nH+]cc2C)CC1 ZINC000120438884 384351166 /nfs/dbraw/zinc/35/11/66/384351166.db2.gz ATCMCIHJJLLFGF-UHFFFAOYSA-N 1 2 247.342 3.092 20 0 BGADLO Cc1ccc(SCCn2cc[nH+]c2)cc1C ZINC000120491041 187465103 /nfs/dbraw/zinc/46/51/03/187465103.db2.gz RWSQXIPQRSAETM-UHFFFAOYSA-N 1 2 232.352 3.292 20 0 BGADLO Fc1ccc(C[NH+]2Cc3ccccc3C2)c(F)c1 ZINC000120503529 411334256 /nfs/dbraw/zinc/33/42/56/411334256.db2.gz JECLNJDUFZHNQJ-UHFFFAOYSA-N 1 2 245.272 3.481 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1csc(C)n1 ZINC000120636879 351058691 /nfs/dbraw/zinc/05/86/91/351058691.db2.gz RGCKAUCKXOGART-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1csc(C)n1 ZINC000120636879 351058688 /nfs/dbraw/zinc/05/86/88/351058688.db2.gz RGCKAUCKXOGART-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CCCN(CCC)C(=O)Nc1cc[nH+]cc1C ZINC000120773045 169143423 /nfs/dbraw/zinc/14/34/23/169143423.db2.gz AMMFGMWFJXBCOH-UHFFFAOYSA-N 1 2 235.331 3.044 20 0 BGADLO CCc1oc(C(=O)Nc2cc[nH+]c(C)c2)cc1C ZINC000120882461 172111526 /nfs/dbraw/zinc/11/15/26/172111526.db2.gz NDUAEUWEYYBKEK-UHFFFAOYSA-N 1 2 244.294 3.106 20 0 BGADLO Fc1cc(F)c2c(c1)C[N@H+](C/C=C/Cl)CC2 ZINC000120896046 589475599 /nfs/dbraw/zinc/47/55/99/589475599.db2.gz YFZOWTRNRUAXGO-HNQUOIGGSA-N 1 2 243.684 3.075 20 0 BGADLO Fc1cc(F)c2c(c1)C[N@@H+](C/C=C/Cl)CC2 ZINC000120896046 589475598 /nfs/dbraw/zinc/47/55/98/589475598.db2.gz YFZOWTRNRUAXGO-HNQUOIGGSA-N 1 2 243.684 3.075 20 0 BGADLO CCCOc1ccc(NCc2[nH]cc[nH+]2)c(C)c1 ZINC000120916308 169320350 /nfs/dbraw/zinc/32/03/50/169320350.db2.gz IRJXCGVTZOFZDF-UHFFFAOYSA-N 1 2 245.326 3.119 20 0 BGADLO CCc1ccccc1C(=O)Nc1cc[nH+]cc1C ZINC000121011230 398002401 /nfs/dbraw/zinc/00/24/01/398002401.db2.gz HCVFWYAPJFTLIU-UHFFFAOYSA-N 1 2 240.306 3.205 20 0 BGADLO CCC[N@@H+](CCc1cccs1)CC(F)F ZINC000121080768 411159883 /nfs/dbraw/zinc/15/98/83/411159883.db2.gz PSEMKHADZYPHGA-UHFFFAOYSA-N 1 2 233.327 3.268 20 0 BGADLO CCC[N@H+](CCc1cccs1)CC(F)F ZINC000121080768 411159878 /nfs/dbraw/zinc/15/98/78/411159878.db2.gz PSEMKHADZYPHGA-UHFFFAOYSA-N 1 2 233.327 3.268 20 0 BGADLO CC[C@@H]1CCCCN1C(=O)Nc1cc[nH+]cc1C ZINC000121181420 344915660 /nfs/dbraw/zinc/91/56/60/344915660.db2.gz KTXAJLZZBJJWSE-GFCCVEGCSA-N 1 2 247.342 3.186 20 0 BGADLO CC[C@H]1CCCCN1C(=O)Nc1cc[nH+]cc1C ZINC000121181578 384400625 /nfs/dbraw/zinc/40/06/25/384400625.db2.gz KTXAJLZZBJJWSE-LBPRGKRZSA-N 1 2 247.342 3.186 20 0 BGADLO Cc1cscc1NC(=O)Nc1cc[nH+]cc1C ZINC000121190559 387306191 /nfs/dbraw/zinc/30/61/91/387306191.db2.gz IGYMHWHINKRANN-UHFFFAOYSA-N 1 2 247.323 3.404 20 0 BGADLO CC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000121215259 344916895 /nfs/dbraw/zinc/91/68/95/344916895.db2.gz JQQKQRCIDAIKMS-YPMHNXCESA-N 1 2 247.342 3.090 20 0 BGADLO CC[C@H]1CCC[C@@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000121215404 384403198 /nfs/dbraw/zinc/40/31/98/384403198.db2.gz JQQKQRCIDAIKMS-AAEUAGOBSA-N 1 2 247.342 3.090 20 0 BGADLO CC[C@@H]1CCC[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000121215554 344917135 /nfs/dbraw/zinc/91/71/35/344917135.db2.gz JQQKQRCIDAIKMS-DGCLKSJQSA-N 1 2 247.342 3.090 20 0 BGADLO CC[C@H]1CCC[C@H]1NC(=O)Nc1cc[nH+]cc1C ZINC000121215716 384403547 /nfs/dbraw/zinc/40/35/47/384403547.db2.gz JQQKQRCIDAIKMS-WCQYABFASA-N 1 2 247.342 3.090 20 0 BGADLO CC[C@@H](C)CN(CC)C(=O)Nc1cc[nH+]cc1C ZINC000121220196 384404379 /nfs/dbraw/zinc/40/43/79/384404379.db2.gz VKMJQZPOIAXCAX-LLVKDONJSA-N 1 2 249.358 3.290 20 0 BGADLO CC[C@H](C)CN(CC)C(=O)Nc1cc[nH+]cc1C ZINC000121220340 171276990 /nfs/dbraw/zinc/27/69/90/171276990.db2.gz VKMJQZPOIAXCAX-NSHDSACASA-N 1 2 249.358 3.290 20 0 BGADLO CCN(C(=O)Nc1cc[nH+]cc1C)C1CCCC1 ZINC000121222356 384403759 /nfs/dbraw/zinc/40/37/59/384403759.db2.gz KSPQXSZTMUTAHW-UHFFFAOYSA-N 1 2 247.342 3.186 20 0 BGADLO CCC(C)(CC)NC(=O)Nc1cc[nH+]cc1C ZINC000121228581 168308363 /nfs/dbraw/zinc/30/83/63/168308363.db2.gz KUTOBTZHLJHFRZ-UHFFFAOYSA-N 1 2 235.331 3.090 20 0 BGADLO CCC(CC)(CC)NC(=O)Nc1cc[nH+]cc1C ZINC000121243318 168315460 /nfs/dbraw/zinc/31/54/60/168315460.db2.gz NWTGWVJZKLRCJN-UHFFFAOYSA-N 1 2 249.358 3.480 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N(C)CC1CCCC1 ZINC000121290453 384408772 /nfs/dbraw/zinc/40/87/72/384408772.db2.gz YVVZTWQJKFIQHJ-UHFFFAOYSA-N 1 2 247.342 3.044 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000121311246 384409320 /nfs/dbraw/zinc/40/93/20/384409320.db2.gz UHMSRXJHGVHGBW-CMPLNLGQSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC[C@H](C)C1 ZINC000121311420 384408989 /nfs/dbraw/zinc/40/89/89/384408989.db2.gz UHMSRXJHGVHGBW-JQWIXIFHSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000121311595 384410934 /nfs/dbraw/zinc/41/09/34/384410934.db2.gz UHMSRXJHGVHGBW-ZYHUDNBSSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000121311768 384408739 /nfs/dbraw/zinc/40/87/39/384408739.db2.gz UHMSRXJHGVHGBW-PWSUYJOCSA-N 1 2 247.342 3.090 20 0 BGADLO CC[C@@H]1CCCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000121320281 344920031 /nfs/dbraw/zinc/92/00/31/344920031.db2.gz IENVQBWJJSIQDQ-GFCCVEGCSA-N 1 2 247.342 3.044 20 0 BGADLO CC[C@H]1CCCN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000121320429 384409929 /nfs/dbraw/zinc/40/99/29/384409929.db2.gz IENVQBWJJSIQDQ-LBPRGKRZSA-N 1 2 247.342 3.044 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)NC1CCCCCC1 ZINC000121352429 384413415 /nfs/dbraw/zinc/41/34/15/384413415.db2.gz UTPACAVYKIPCPY-UHFFFAOYSA-N 1 2 247.342 3.234 20 0 BGADLO CC(C)(C)CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000121374204 490476530 /nfs/dbraw/zinc/47/65/30/490476530.db2.gz KCIMLHMHJVCVBJ-UHFFFAOYSA-N 1 2 247.317 3.469 20 0 BGADLO C[C@H](CO)C[N@H+](c1ccccc1)C1CCCC1 ZINC000121399908 490088001 /nfs/dbraw/zinc/08/80/01/490088001.db2.gz HVWSMMSXHFMMIA-ZDUSSCGKSA-N 1 2 233.355 3.064 20 0 BGADLO C[C@H](CO)C[N@@H+](c1ccccc1)C1CCCC1 ZINC000121399908 490087998 /nfs/dbraw/zinc/08/79/98/490087998.db2.gz HVWSMMSXHFMMIA-ZDUSSCGKSA-N 1 2 233.355 3.064 20 0 BGADLO C[C@@H](CO)C[N@H+](c1ccccc1)C1CCCC1 ZINC000121400092 490087976 /nfs/dbraw/zinc/08/79/76/490087976.db2.gz HVWSMMSXHFMMIA-CYBMUJFWSA-N 1 2 233.355 3.064 20 0 BGADLO C[C@@H](CO)C[N@@H+](c1ccccc1)C1CCCC1 ZINC000121400092 490087973 /nfs/dbraw/zinc/08/79/73/490087973.db2.gz HVWSMMSXHFMMIA-CYBMUJFWSA-N 1 2 233.355 3.064 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)NCCCC(C)(C)C ZINC000121402231 324009607 /nfs/dbraw/zinc/00/96/07/324009607.db2.gz MOTJGESOYLKDAJ-UHFFFAOYSA-N 1 2 249.358 3.338 20 0 BGADLO CCC1CCN(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000121416460 491130750 /nfs/dbraw/zinc/13/07/50/491130750.db2.gz JCPNEMUSTVRSOQ-UHFFFAOYSA-N 1 2 247.342 3.044 20 0 BGADLO COc1ccc([NH2+]CCc2ccccc2F)cc1 ZINC000121468121 587836830 /nfs/dbraw/zinc/83/68/30/587836830.db2.gz ZNWBLLOPWYETBO-UHFFFAOYSA-N 1 2 245.297 3.489 20 0 BGADLO CCCCCCNC(=O)Nc1cc[nH+]cc1C ZINC000121479484 384419768 /nfs/dbraw/zinc/41/97/68/384419768.db2.gz LCLQDHYQGVATLD-UHFFFAOYSA-N 1 2 235.331 3.092 20 0 BGADLO CCCCC[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121480329 384420333 /nfs/dbraw/zinc/42/03/33/384420333.db2.gz JYJPIDBNMGSJKN-GFCCVEGCSA-N 1 2 249.358 3.480 20 0 BGADLO CCCCC[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121480469 384419585 /nfs/dbraw/zinc/41/95/85/384419585.db2.gz JYJPIDBNMGSJKN-LBPRGKRZSA-N 1 2 249.358 3.480 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000121498729 384419431 /nfs/dbraw/zinc/41/94/31/384419431.db2.gz OPPJJRNJSFFDFO-NSHDSACASA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N(C)[C@H](C)C1(C)CC1 ZINC000121498877 384419903 /nfs/dbraw/zinc/41/99/03/384419903.db2.gz OPPJJRNJSFFDFO-LLVKDONJSA-N 1 2 247.342 3.042 20 0 BGADLO CCCC(C)(C)NC(=O)Nc1cc[nH+]cc1C ZINC000121533948 384424081 /nfs/dbraw/zinc/42/40/81/384424081.db2.gz LVDXTPPEAQVTMO-UHFFFAOYSA-N 1 2 235.331 3.090 20 0 BGADLO CCOCCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000121544738 386709674 /nfs/dbraw/zinc/70/96/74/386709674.db2.gz HZNBIQAIUBKKBZ-UHFFFAOYSA-N 1 2 248.301 3.131 20 0 BGADLO Cc1ccc(NC(=O)Nc2cc[nH+]cc2C)cc1 ZINC000121548073 387378166 /nfs/dbraw/zinc/37/81/66/387378166.db2.gz VWZDFVWYPUEGAP-UHFFFAOYSA-N 1 2 241.294 3.342 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)NCC1(C)CCCC1 ZINC000121554161 384426666 /nfs/dbraw/zinc/42/66/66/384426666.db2.gz QYAKEWZVEMYVOB-UHFFFAOYSA-N 1 2 247.342 3.092 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCCC(C)(C)C1 ZINC000121668693 384432316 /nfs/dbraw/zinc/43/23/16/384432316.db2.gz DNMLWGMWAACGCE-UHFFFAOYSA-N 1 2 247.342 3.044 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)c1cccn1C(C)C ZINC000121695232 384433189 /nfs/dbraw/zinc/43/31/89/384433189.db2.gz RWKXZVHJFLWELK-UHFFFAOYSA-N 1 2 243.310 3.025 20 0 BGADLO CCC[C@H](C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000121696777 384433797 /nfs/dbraw/zinc/43/37/97/384433797.db2.gz ODLKSFYPNFYYOS-LBPRGKRZSA-N 1 2 234.343 3.401 20 0 BGADLO CCC[C@@H](C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000121696921 169346611 /nfs/dbraw/zinc/34/66/11/169346611.db2.gz ODLKSFYPNFYYOS-GFCCVEGCSA-N 1 2 234.343 3.401 20 0 BGADLO CCC1(CNC(=O)Nc2cc[nH+]cc2C)CCC1 ZINC000121719237 384436498 /nfs/dbraw/zinc/43/64/98/384436498.db2.gz YNGCDSYXYQTLGH-UHFFFAOYSA-N 1 2 247.342 3.092 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCCCCCC1 ZINC000121753483 384435551 /nfs/dbraw/zinc/43/55/51/384435551.db2.gz YIFHJBFLTRNHGP-UHFFFAOYSA-N 1 2 247.342 3.188 20 0 BGADLO Cc1ccc(CNc2ccc([NH+](C)C)cc2)nc1 ZINC000121769697 632047561 /nfs/dbraw/zinc/04/75/61/632047561.db2.gz NXGSMGKVVXQGDU-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO CCCCOC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000121789365 589532500 /nfs/dbraw/zinc/53/25/00/589532500.db2.gz WIEXVVCIZKCHHE-CQSZACIVSA-N 1 2 249.354 3.023 20 0 BGADLO CCCCOC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000121789365 589532498 /nfs/dbraw/zinc/53/24/98/589532498.db2.gz WIEXVVCIZKCHHE-CQSZACIVSA-N 1 2 249.354 3.023 20 0 BGADLO CCCCOC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000121789536 589532595 /nfs/dbraw/zinc/53/25/95/589532595.db2.gz WIEXVVCIZKCHHE-AWEZNQCLSA-N 1 2 249.354 3.023 20 0 BGADLO CCCCOC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000121789536 589532594 /nfs/dbraw/zinc/53/25/94/589532594.db2.gz WIEXVVCIZKCHHE-AWEZNQCLSA-N 1 2 249.354 3.023 20 0 BGADLO Cc1ccccc1CSCCn1cc[nH+]c1 ZINC000121817913 179287408 /nfs/dbraw/zinc/28/74/08/179287408.db2.gz LYNMMSUDDQHGHL-UHFFFAOYSA-N 1 2 232.352 3.125 20 0 BGADLO c1cn(-c2ccc(NCc3ccccc3)cc2)c[nH+]1 ZINC000121824858 387420573 /nfs/dbraw/zinc/42/05/73/387420573.db2.gz LYAUAKUVNYICSX-UHFFFAOYSA-N 1 2 249.317 3.484 20 0 BGADLO Cc1ccc(CNc2ccc(C)[nH+]c2C)nc1 ZINC000121826682 387419749 /nfs/dbraw/zinc/41/97/49/387419749.db2.gz FLIIGHMXVFITFG-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Clc1ccccc1SCCn1cc[nH+]c1 ZINC000121827538 387420524 /nfs/dbraw/zinc/42/05/24/387420524.db2.gz JUDLXMPXEVAINM-UHFFFAOYSA-N 1 2 238.743 3.329 20 0 BGADLO c1coc(CNc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000121835126 183511703 /nfs/dbraw/zinc/51/17/03/183511703.db2.gz CVXBHPCEOUZQQO-UHFFFAOYSA-N 1 2 239.278 3.077 20 0 BGADLO Cc1ccc(C)c(SCCn2cc[nH+]c2)c1 ZINC000121852381 384441835 /nfs/dbraw/zinc/44/18/35/384441835.db2.gz FFEHAGOCVKHZTO-UHFFFAOYSA-N 1 2 232.352 3.292 20 0 BGADLO Cc1ccc(SCCn2cc[nH+]c2)c(C)c1 ZINC000121852746 384441119 /nfs/dbraw/zinc/44/11/19/384441119.db2.gz GHFBWAKJJHNLSO-UHFFFAOYSA-N 1 2 232.352 3.292 20 0 BGADLO CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121858041 384441983 /nfs/dbraw/zinc/44/19/83/384441983.db2.gz ITBRSQYUNOKPBH-ZYHUDNBSSA-N 1 2 249.358 3.336 20 0 BGADLO CC[C@H](C)C[C@@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121858229 171294400 /nfs/dbraw/zinc/29/44/00/171294400.db2.gz ITBRSQYUNOKPBH-CMPLNLGQSA-N 1 2 249.358 3.336 20 0 BGADLO CC[C@@H](C)C[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121858399 384442081 /nfs/dbraw/zinc/44/20/81/384442081.db2.gz ITBRSQYUNOKPBH-PWSUYJOCSA-N 1 2 249.358 3.336 20 0 BGADLO CC[C@H](C)C[C@H](C)NC(=O)Nc1cc[nH+]cc1C ZINC000121858593 171297434 /nfs/dbraw/zinc/29/74/34/171297434.db2.gz ITBRSQYUNOKPBH-JQWIXIFHSA-N 1 2 249.358 3.336 20 0 BGADLO CC(C)[NH2+]c1ccc(OCC2CCOCC2)cc1 ZINC000121871248 167148301 /nfs/dbraw/zinc/14/83/01/167148301.db2.gz HIVWDWYETVCZNS-UHFFFAOYSA-N 1 2 249.354 3.312 20 0 BGADLO Clc1cccc(SCCn2cc[nH+]c2)c1 ZINC000121908033 387437082 /nfs/dbraw/zinc/43/70/82/387437082.db2.gz AQQHYONULMCFGS-UHFFFAOYSA-N 1 2 238.743 3.329 20 0 BGADLO Cc1ccc(C)c(CSCCn2cc[nH+]c2)c1 ZINC000121913537 387437578 /nfs/dbraw/zinc/43/75/78/387437578.db2.gz DNTLNLGVXZYPJN-UHFFFAOYSA-N 1 2 246.379 3.433 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N(C)C1CCCCC1 ZINC000121919475 179706730 /nfs/dbraw/zinc/70/67/30/179706730.db2.gz RMUMDPSZCCDWAP-UHFFFAOYSA-N 1 2 247.342 3.186 20 0 BGADLO CCCN(CC1CC1)C(=O)Nc1cc[nH+]cc1C ZINC000121921075 169135632 /nfs/dbraw/zinc/13/56/32/169135632.db2.gz VGJBUAUGMYWDKI-UHFFFAOYSA-N 1 2 247.342 3.044 20 0 BGADLO CC(=O)CCCCSc1[nH+]cc2ccccn21 ZINC000122019177 384449904 /nfs/dbraw/zinc/44/99/04/384449904.db2.gz ZEJIKFIOULAFJP-UHFFFAOYSA-N 1 2 248.351 3.186 20 0 BGADLO CO[C@H]1CCc2[nH+]c3cccc(C)c3c(C)c2C1 ZINC000122064801 324026144 /nfs/dbraw/zinc/02/61/44/324026144.db2.gz MZUNMKJSGBQUHG-LBPRGKRZSA-N 1 2 241.334 3.355 20 0 BGADLO CO[C@@H]1CCc2[nH+]c3cccc(C)c3c(C)c2C1 ZINC000122065036 324026464 /nfs/dbraw/zinc/02/64/64/324026464.db2.gz MZUNMKJSGBQUHG-GFCCVEGCSA-N 1 2 241.334 3.355 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CCCC1(C)C ZINC000122093593 384455539 /nfs/dbraw/zinc/45/55/39/384455539.db2.gz BMLDXFBXICWSKK-GFCCVEGCSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CCCC1(C)C ZINC000122093819 384455466 /nfs/dbraw/zinc/45/54/66/384455466.db2.gz BMLDXFBXICWSKK-LBPRGKRZSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000122190759 384463625 /nfs/dbraw/zinc/46/36/25/384463625.db2.gz MSMLUXZGAIBNHD-NSHDSACASA-N 1 2 247.317 3.050 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000122190759 384463621 /nfs/dbraw/zinc/46/36/21/384463621.db2.gz MSMLUXZGAIBNHD-NSHDSACASA-N 1 2 247.317 3.050 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000122191019 384463192 /nfs/dbraw/zinc/46/31/92/384463192.db2.gz MSMLUXZGAIBNHD-LLVKDONJSA-N 1 2 247.317 3.050 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000122191019 384463188 /nfs/dbraw/zinc/46/31/88/384463188.db2.gz MSMLUXZGAIBNHD-LLVKDONJSA-N 1 2 247.317 3.050 20 0 BGADLO CCc1cc(N[C@@H]2CCC(C)(C)C2)nc[nH+]1 ZINC000122379869 490136594 /nfs/dbraw/zinc/13/65/94/490136594.db2.gz MCBYOUXFXJZUKB-LLVKDONJSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@H]2CCC(C)(C)C2)nc[nH+]1 ZINC000122380124 490136562 /nfs/dbraw/zinc/13/65/62/490136562.db2.gz MCBYOUXFXJZUKB-NSHDSACASA-N 1 2 219.332 3.030 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2ccccc2F)cn1 ZINC000122388910 387517178 /nfs/dbraw/zinc/51/71/78/387517178.db2.gz OGBGRKBBGWNYTD-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2ccccc2F)cn1 ZINC000122388910 387517173 /nfs/dbraw/zinc/51/71/73/387517173.db2.gz OGBGRKBBGWNYTD-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO c1csc(-c2nc(Cn3cc[nH+]c3)cs2)c1 ZINC000122510624 387544350 /nfs/dbraw/zinc/54/43/50/387544350.db2.gz LYHWKVNPTLMDNC-UHFFFAOYSA-N 1 2 247.348 3.116 20 0 BGADLO Cc1cc(CNc2ccc(C)[nH+]c2)c(C)o1 ZINC000122514842 589595950 /nfs/dbraw/zinc/59/59/50/589595950.db2.gz XEODYEZRIZZBKM-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccon1 ZINC000122595156 176015223 /nfs/dbraw/zinc/01/52/23/176015223.db2.gz GGEYSHONXQANGQ-JTQLQIEISA-N 1 2 234.274 3.007 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccon1 ZINC000122595156 176015221 /nfs/dbraw/zinc/01/52/21/176015221.db2.gz GGEYSHONXQANGQ-JTQLQIEISA-N 1 2 234.274 3.007 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccon1 ZINC000122595394 177033653 /nfs/dbraw/zinc/03/36/53/177033653.db2.gz GGEYSHONXQANGQ-SNVBAGLBSA-N 1 2 234.274 3.007 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccon1 ZINC000122595394 177033650 /nfs/dbraw/zinc/03/36/50/177033650.db2.gz GGEYSHONXQANGQ-SNVBAGLBSA-N 1 2 234.274 3.007 20 0 BGADLO COc1ccc[nH+]c1N[C@H]1CCC(C)(C)C1 ZINC000122623611 324051673 /nfs/dbraw/zinc/05/16/73/324051673.db2.gz UEGDUBBQGYOXRV-JTQLQIEISA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc[nH+]c1N[C@@H]1CCC(C)(C)C1 ZINC000122623836 324051258 /nfs/dbraw/zinc/05/12/58/324051258.db2.gz UEGDUBBQGYOXRV-SNVBAGLBSA-N 1 2 220.316 3.081 20 0 BGADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2ccon2)cc1 ZINC000122667052 387574349 /nfs/dbraw/zinc/57/43/49/387574349.db2.gz CQPZBFKKUCRLOX-AWEZNQCLSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccon2)cc1 ZINC000122667052 387574346 /nfs/dbraw/zinc/57/43/46/387574346.db2.gz CQPZBFKKUCRLOX-AWEZNQCLSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2ccon2)cc1 ZINC000122667320 387573369 /nfs/dbraw/zinc/57/33/69/387573369.db2.gz CQPZBFKKUCRLOX-CQSZACIVSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccon2)cc1 ZINC000122667320 387573365 /nfs/dbraw/zinc/57/33/65/387573365.db2.gz CQPZBFKKUCRLOX-CQSZACIVSA-N 1 2 246.285 3.151 20 0 BGADLO Cc1ccc(NC(=O)NC2CCCCC2)c(C)[nH+]1 ZINC000122692402 384503369 /nfs/dbraw/zinc/50/33/69/384503369.db2.gz NILROYDSCIZESJ-UHFFFAOYSA-N 1 2 247.342 3.153 20 0 BGADLO Cc1ccc(NC(=O)N2CCCCCC2)c(C)[nH+]1 ZINC000122692934 384504071 /nfs/dbraw/zinc/50/40/71/384504071.db2.gz SHTGCGJRKSSNNP-UHFFFAOYSA-N 1 2 247.342 3.106 20 0 BGADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccon1 ZINC000122793736 171161823 /nfs/dbraw/zinc/16/18/23/171161823.db2.gz SHSXPBDDOWWDNW-GFCCVEGCSA-N 1 2 248.351 3.246 20 0 BGADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccon1 ZINC000122793736 171161822 /nfs/dbraw/zinc/16/18/22/171161822.db2.gz SHSXPBDDOWWDNW-GFCCVEGCSA-N 1 2 248.351 3.246 20 0 BGADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccon1 ZINC000122793932 384510855 /nfs/dbraw/zinc/51/08/55/384510855.db2.gz SHSXPBDDOWWDNW-LBPRGKRZSA-N 1 2 248.351 3.246 20 0 BGADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccon1 ZINC000122793932 384510848 /nfs/dbraw/zinc/51/08/48/384510848.db2.gz SHSXPBDDOWWDNW-LBPRGKRZSA-N 1 2 248.351 3.246 20 0 BGADLO c1cc(C[N@H+]2CCC[C@@H]2c2ccsc2)no1 ZINC000122802645 183341374 /nfs/dbraw/zinc/34/13/74/183341374.db2.gz BZQWXZLYOHUKJK-GFCCVEGCSA-N 1 2 234.324 3.073 20 0 BGADLO c1cc(C[N@@H+]2CCC[C@@H]2c2ccsc2)no1 ZINC000122802645 183341372 /nfs/dbraw/zinc/34/13/72/183341372.db2.gz BZQWXZLYOHUKJK-GFCCVEGCSA-N 1 2 234.324 3.073 20 0 BGADLO c1cc(C[N@H+]2CCC[C@H]2c2ccsc2)no1 ZINC000122802914 183342529 /nfs/dbraw/zinc/34/25/29/183342529.db2.gz BZQWXZLYOHUKJK-LBPRGKRZSA-N 1 2 234.324 3.073 20 0 BGADLO c1cc(C[N@@H+]2CCC[C@H]2c2ccsc2)no1 ZINC000122802914 183342528 /nfs/dbraw/zinc/34/25/28/183342528.db2.gz BZQWXZLYOHUKJK-LBPRGKRZSA-N 1 2 234.324 3.073 20 0 BGADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccon2)cc1 ZINC000122817947 387607593 /nfs/dbraw/zinc/60/75/93/387607593.db2.gz IALFDGIXRCRSCI-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccon2)cc1 ZINC000122817947 387607588 /nfs/dbraw/zinc/60/75/88/387607588.db2.gz IALFDGIXRCRSCI-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccon2)cc1 ZINC000122818170 387607532 /nfs/dbraw/zinc/60/75/32/387607532.db2.gz IALFDGIXRCRSCI-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1ccc([C@H](C)[N@H+](C)Cc2ccon2)cc1 ZINC000122818170 387607529 /nfs/dbraw/zinc/60/75/29/387607529.db2.gz IALFDGIXRCRSCI-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO CCCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000122960164 169036524 /nfs/dbraw/zinc/03/65/24/169036524.db2.gz PBEYDIIQSXOVFJ-UHFFFAOYSA-N 1 2 210.227 3.115 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(C)s2)o1 ZINC000123026755 384531288 /nfs/dbraw/zinc/53/12/88/384531288.db2.gz OPEGEMFFJLKIFI-SNVBAGLBSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]Cc2ncc(C)s2)o1 ZINC000123026941 384531507 /nfs/dbraw/zinc/53/15/07/384531507.db2.gz OPEGEMFFJLKIFI-JTQLQIEISA-N 1 2 236.340 3.204 20 0 BGADLO C[N@@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000123055253 172892099 /nfs/dbraw/zinc/89/20/99/172892099.db2.gz ULWBTDXPBYEZDF-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO C[N@H+](Cc1ccco1)Cc1ccc(F)cc1F ZINC000123055253 172892098 /nfs/dbraw/zinc/89/20/98/172892098.db2.gz ULWBTDXPBYEZDF-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO CSCCCCNc1cc[nH+]c(C(C)C)n1 ZINC000123100368 385854780 /nfs/dbraw/zinc/85/47/80/385854780.db2.gz SFRFVVZOPNMAKD-UHFFFAOYSA-N 1 2 239.388 3.155 20 0 BGADLO CC(C)c1nc(NCCCC2CC2)cc[nH+]1 ZINC000123119260 369385438 /nfs/dbraw/zinc/38/54/38/369385438.db2.gz WUDNSFDPBLKQRB-UHFFFAOYSA-N 1 2 219.332 3.202 20 0 BGADLO CSCC[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000123177267 589670901 /nfs/dbraw/zinc/67/09/01/589670901.db2.gz HVJGIHFFIXILPL-JTQLQIEISA-N 1 2 239.388 3.154 20 0 BGADLO CSCC[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000123177442 589670808 /nfs/dbraw/zinc/67/08/08/589670808.db2.gz HVJGIHFFIXILPL-SNVBAGLBSA-N 1 2 239.388 3.154 20 0 BGADLO Cc1cc(CNc2c[nH+]ccc2C)c(C)o1 ZINC000123254253 589682894 /nfs/dbraw/zinc/68/28/94/589682894.db2.gz GMMYMFHHHNVDAI-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO C[N@H+]1CCCc2cc(NCc3ccco3)ccc21 ZINC000123327156 384549477 /nfs/dbraw/zinc/54/94/77/384549477.db2.gz CDAPCFLPCBBSPJ-UHFFFAOYSA-N 1 2 242.322 3.274 20 0 BGADLO C[N@@H+]1CCCc2cc(NCc3ccco3)ccc21 ZINC000123327156 384549470 /nfs/dbraw/zinc/54/94/70/384549470.db2.gz CDAPCFLPCBBSPJ-UHFFFAOYSA-N 1 2 242.322 3.274 20 0 BGADLO Cc1oc2ccccc2c1C[NH2+]Cc1ccon1 ZINC000123357346 490224995 /nfs/dbraw/zinc/22/49/95/490224995.db2.gz ISUACIVRHZFHLO-UHFFFAOYSA-N 1 2 242.278 3.019 20 0 BGADLO COc1ccccc1NCc1[nH+]ccn1C(C)C ZINC000123594890 175338714 /nfs/dbraw/zinc/33/87/14/175338714.db2.gz GYTRAOSNLXAMHH-UHFFFAOYSA-N 1 2 245.326 3.085 20 0 BGADLO CC(C)n1cc[nH+]c1CNc1ccc(F)cc1 ZINC000123599119 384569446 /nfs/dbraw/zinc/56/94/46/384569446.db2.gz PJAAIXVNHQHQHX-UHFFFAOYSA-N 1 2 233.290 3.215 20 0 BGADLO CC(C)n1cc[nH+]c1CNc1cccc(F)c1 ZINC000123602471 384569386 /nfs/dbraw/zinc/56/93/86/384569386.db2.gz SBCZUFMYSDFAEN-UHFFFAOYSA-N 1 2 233.290 3.215 20 0 BGADLO CC(C)n1cc[nH+]c1CNc1ccccc1F ZINC000123608581 410300200 /nfs/dbraw/zinc/30/02/00/410300200.db2.gz OXMUGHKJOVZTLL-UHFFFAOYSA-N 1 2 233.290 3.215 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)c1ccccc1 ZINC000123637147 387589293 /nfs/dbraw/zinc/58/92/93/387589293.db2.gz AHVZPTDSNPMMNT-LBPRGKRZSA-N 1 2 240.306 3.132 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)c1ccccc1 ZINC000123637368 387588660 /nfs/dbraw/zinc/58/86/60/387588660.db2.gz AHVZPTDSNPMMNT-GFCCVEGCSA-N 1 2 240.306 3.132 20 0 BGADLO CC(C)(C)c1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000123760681 387594343 /nfs/dbraw/zinc/59/43/43/387594343.db2.gz WKUUWFZAYMKXFJ-UHFFFAOYSA-N 1 2 244.338 3.424 20 0 BGADLO c1c[nH+]c(COCc2cccc3ccccc32)[nH]1 ZINC000123780943 387594004 /nfs/dbraw/zinc/59/40/04/387594004.db2.gz JJXQYWOJFWDEQY-UHFFFAOYSA-N 1 2 238.290 3.280 20 0 BGADLO Clc1cccc2c1CC[N@@H+](Cc1ccco1)C2 ZINC000123819657 387596132 /nfs/dbraw/zinc/59/61/32/387596132.db2.gz GIIBZTRUSZJDIX-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Clc1cccc2c1CC[N@H+](Cc1ccco1)C2 ZINC000123819657 387596127 /nfs/dbraw/zinc/59/61/27/387596127.db2.gz GIIBZTRUSZJDIX-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Cc1cc(C)c(COCc2[nH]cc[nH+]2)c(C)c1 ZINC000123828014 384587896 /nfs/dbraw/zinc/58/78/96/384587896.db2.gz XLLNPZDLQFLTSC-UHFFFAOYSA-N 1 2 230.311 3.052 20 0 BGADLO Cc1cccc(NCc2[nH+]ccn2C(C)C)c1 ZINC000123830936 179151227 /nfs/dbraw/zinc/15/12/27/179151227.db2.gz HTUCCCDKHKQZIR-UHFFFAOYSA-N 1 2 229.327 3.385 20 0 BGADLO COc1ccc(NCc2[nH+]ccn2C(C)C)cc1 ZINC000123834093 175152923 /nfs/dbraw/zinc/15/29/23/175152923.db2.gz LWGDEBBITITOLC-UHFFFAOYSA-N 1 2 245.326 3.085 20 0 BGADLO Cc1cc2[nH+]cn(CC3CC3)c2cc1C ZINC000123845088 385914394 /nfs/dbraw/zinc/91/43/94/385914394.db2.gz FUWRRVYZFFNXCP-UHFFFAOYSA-N 1 2 200.285 3.063 20 0 BGADLO CC(C)n1cc[nH+]c1CNc1ccccc1 ZINC000123848512 385914679 /nfs/dbraw/zinc/91/46/79/385914679.db2.gz FGAIYJOXWLXLDD-UHFFFAOYSA-N 1 2 215.300 3.076 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)c1ccc(F)cc1C ZINC000123981947 387600333 /nfs/dbraw/zinc/60/03/33/387600333.db2.gz LYVWZFQRPHJUJN-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1ccc(N[C@@H]2CCCc3occc32)c[nH+]1 ZINC000124098197 384615795 /nfs/dbraw/zinc/61/57/95/384615795.db2.gz KGOAIHTZUXIPFN-CYBMUJFWSA-N 1 2 228.295 3.473 20 0 BGADLO Cc1ccc(N[C@H]2CCCc3occc32)c[nH+]1 ZINC000124098397 384614902 /nfs/dbraw/zinc/61/49/02/384614902.db2.gz KGOAIHTZUXIPFN-ZDUSSCGKSA-N 1 2 228.295 3.473 20 0 BGADLO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C)n2)s1 ZINC000124345822 179097882 /nfs/dbraw/zinc/09/78/82/179097882.db2.gz GIDUNLWOEXNQBF-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C)n2)s1 ZINC000124346021 179100069 /nfs/dbraw/zinc/10/00/69/179100069.db2.gz GIDUNLWOEXNQBF-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO COc1ccc2c(c1)[nH+]ccc2OCC1CC1 ZINC000124349757 175205897 /nfs/dbraw/zinc/20/58/97/175205897.db2.gz ULLCTPAGMKPICR-UHFFFAOYSA-N 1 2 229.279 3.032 20 0 BGADLO CCC[NH+](CCC)Cn1nc(C)sc1=S ZINC000124350182 711711671 /nfs/dbraw/zinc/71/16/71/711711671.db2.gz KLLQSPVEPYVAJW-UHFFFAOYSA-N 1 2 245.417 3.062 20 0 BGADLO CCn1cc[nH+]c1CNc1cc(C)ccc1Cl ZINC000124486248 386635731 /nfs/dbraw/zinc/63/57/31/386635731.db2.gz UWVFSKSVMIKBDM-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CSc1ccc(NCC(C)(C)C)[nH+]c1 ZINC000124557329 490374186 /nfs/dbraw/zinc/37/41/86/490374186.db2.gz QHQICBAHFUTCCP-UHFFFAOYSA-N 1 2 210.346 3.262 20 0 BGADLO CSc1ccc(NCc2ccoc2)[nH+]c1 ZINC000124569568 590059339 /nfs/dbraw/zinc/05/93/39/590059339.db2.gz OLNSWQGKSGPDLB-UHFFFAOYSA-N 1 2 220.297 3.009 20 0 BGADLO CCc1cc(C)c(C(=O)Nc2cc[nH+]cc2C)o1 ZINC000124662382 387625203 /nfs/dbraw/zinc/62/52/03/387625203.db2.gz IBUFVZBWVLYBHQ-UHFFFAOYSA-N 1 2 244.294 3.106 20 0 BGADLO Cc1ccc(CC[N@@H+](CC(F)F)C2CC2)cc1 ZINC000124686649 388664019 /nfs/dbraw/zinc/66/40/19/388664019.db2.gz FUKQFSHUUOGWNG-UHFFFAOYSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1ccc(CC[N@H+](CC(F)F)C2CC2)cc1 ZINC000124686649 388664016 /nfs/dbraw/zinc/66/40/16/388664016.db2.gz FUKQFSHUUOGWNG-UHFFFAOYSA-N 1 2 239.309 3.267 20 0 BGADLO CCc1ccc(CC)c(NCc2[nH+]ccn2C)c1 ZINC000124713198 387628487 /nfs/dbraw/zinc/62/84/87/387628487.db2.gz CQZXSANPUDRXKS-UHFFFAOYSA-N 1 2 243.354 3.157 20 0 BGADLO CSC[C@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000124719775 386683735 /nfs/dbraw/zinc/68/37/35/386683735.db2.gz HKUBZMUDFMOTQO-JTQLQIEISA-N 1 2 239.388 3.072 20 0 BGADLO CSC[C@@H](C)Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000124719927 386685144 /nfs/dbraw/zinc/68/51/44/386685144.db2.gz HKUBZMUDFMOTQO-SNVBAGLBSA-N 1 2 239.388 3.072 20 0 BGADLO CSC[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000124724385 386683472 /nfs/dbraw/zinc/68/34/72/386683472.db2.gz QYSQWHHNCKVMCD-JTQLQIEISA-N 1 2 232.352 3.398 20 0 BGADLO CSC[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000124724630 386683864 /nfs/dbraw/zinc/68/38/64/386683864.db2.gz QYSQWHHNCKVMCD-SNVBAGLBSA-N 1 2 232.352 3.398 20 0 BGADLO Cc1cccc(C(C)C)c1NCc1[nH+]ccn1C ZINC000124765920 384677865 /nfs/dbraw/zinc/67/78/65/384677865.db2.gz LVFRHPOEBSALOK-UHFFFAOYSA-N 1 2 243.354 3.464 20 0 BGADLO CC(C)(C)C[NH2+]c1ccc2c(c1)CCCO2 ZINC000124926672 590102268 /nfs/dbraw/zinc/10/22/68/590102268.db2.gz PTAYUUPTEZHSHU-UHFFFAOYSA-N 1 2 219.328 3.470 20 0 BGADLO CC1CCC(C[N@@H+](C)CC(F)F)CC1 ZINC000125029585 168151433 /nfs/dbraw/zinc/15/14/33/168151433.db2.gz NEAYNHXZRWPCCD-UHFFFAOYSA-N 1 2 205.292 3.010 20 0 BGADLO CC1CCC(C[N@H+](C)CC(F)F)CC1 ZINC000125029585 168151430 /nfs/dbraw/zinc/15/14/30/168151430.db2.gz NEAYNHXZRWPCCD-UHFFFAOYSA-N 1 2 205.292 3.010 20 0 BGADLO Cc1c[nH+]cc(NC2CCC(C)CC2)c1 ZINC000125087312 386222317 /nfs/dbraw/zinc/22/23/17/386222317.db2.gz PZXLVZMVGNHWJN-UHFFFAOYSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCC[C@H](C)C2)c1 ZINC000125092318 388668772 /nfs/dbraw/zinc/66/87/72/388668772.db2.gz JJXWZHPGEVQLTN-CMPLNLGQSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCC[C@H](C)C2)c1 ZINC000125092542 388667984 /nfs/dbraw/zinc/66/79/84/388667984.db2.gz JJXWZHPGEVQLTN-JQWIXIFHSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000125092777 388667933 /nfs/dbraw/zinc/66/79/33/388667933.db2.gz JJXWZHPGEVQLTN-ZYHUDNBSSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCC[C@@H](C)C2)c1 ZINC000125092966 324632556 /nfs/dbraw/zinc/63/25/56/324632556.db2.gz JJXWZHPGEVQLTN-PWSUYJOCSA-N 1 2 204.317 3.381 20 0 BGADLO CCc1ncc(CNc2c[nH+]cc(C)c2)s1 ZINC000125093690 172020672 /nfs/dbraw/zinc/02/06/72/172020672.db2.gz JYWLXWOOQLHSNO-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO Cc1c[nH+]cc(NCc2ccc(Cl)o2)c1 ZINC000125095876 386221909 /nfs/dbraw/zinc/22/19/09/386221909.db2.gz QIXXAOAMAZHMKU-UHFFFAOYSA-N 1 2 222.675 3.249 20 0 BGADLO CCc1ccccc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000125150788 387646916 /nfs/dbraw/zinc/64/69/16/387646916.db2.gz RLRGUFBFXSUTFD-UHFFFAOYSA-N 1 2 240.306 3.205 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)c2ncc(C)s2)o1 ZINC000125176725 384702894 /nfs/dbraw/zinc/70/28/94/384702894.db2.gz OUGJQKDCRSQMJM-JTQLQIEISA-N 1 2 236.340 3.204 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)c2ncc(C)s2)o1 ZINC000125176951 384700291 /nfs/dbraw/zinc/70/02/91/384700291.db2.gz OUGJQKDCRSQMJM-SNVBAGLBSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cnc([C@@H](C)Nc2cccc[nH+]2)s1 ZINC000125199908 386228199 /nfs/dbraw/zinc/22/81/99/386228199.db2.gz FADPPNMUVQSBIP-SECBINFHSA-N 1 2 219.313 3.020 20 0 BGADLO Cc1cnc([C@H](C)Nc2cccc[nH+]2)s1 ZINC000125200124 386228139 /nfs/dbraw/zinc/22/81/39/386228139.db2.gz FADPPNMUVQSBIP-VIFPVBQESA-N 1 2 219.313 3.020 20 0 BGADLO CC[C@H](Nc1nc(Cl)cs1)c1[nH]cc[nH+]1 ZINC000125231329 590157345 /nfs/dbraw/zinc/15/73/45/590157345.db2.gz VXCUHEXFCRLRTL-LURJTMIESA-N 1 2 242.735 3.083 20 0 BGADLO CC[C@@H](Nc1nc(Cl)cs1)c1[nH]cc[nH+]1 ZINC000125231509 590157473 /nfs/dbraw/zinc/15/74/73/590157473.db2.gz VXCUHEXFCRLRTL-ZCFIWIBFSA-N 1 2 242.735 3.083 20 0 BGADLO Cc1cccn2cc(CSCC3CC3)[nH+]c12 ZINC000125300905 179356781 /nfs/dbraw/zinc/35/67/81/179356781.db2.gz LFMVLACFGUIYKK-UHFFFAOYSA-N 1 2 232.352 3.286 20 0 BGADLO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(F)(F)F ZINC000125640366 388672803 /nfs/dbraw/zinc/67/28/03/388672803.db2.gz REUJYDPXVKKJPL-UWVGGRQHSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(F)(F)F ZINC000125640616 388673652 /nfs/dbraw/zinc/67/36/52/388673652.db2.gz REUJYDPXVKKJPL-ZJUUUORDSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)F ZINC000125640791 388673877 /nfs/dbraw/zinc/67/38/77/388673877.db2.gz REUJYDPXVKKJPL-VHSXEESVSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(F)(F)F ZINC000125641064 388673370 /nfs/dbraw/zinc/67/33/70/388673370.db2.gz REUJYDPXVKKJPL-NXEZZACHSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)c1csc(C[NH2+]Cc2ccco2)n1 ZINC000125669409 384737733 /nfs/dbraw/zinc/73/77/33/384737733.db2.gz KIHXEQALBPFRLR-UHFFFAOYSA-N 1 2 236.340 3.149 20 0 BGADLO Cc1c[nH+]cc(NC[C@H]2CC=CCC2)c1 ZINC000125726518 324649696 /nfs/dbraw/zinc/64/96/96/324649696.db2.gz ZEMCBRDLLUAWMO-LBPRGKRZSA-N 1 2 202.301 3.158 20 0 BGADLO Cc1c[nH+]cc(NC[C@@H]2CC=CCC2)c1 ZINC000125726735 324649701 /nfs/dbraw/zinc/64/97/01/324649701.db2.gz ZEMCBRDLLUAWMO-GFCCVEGCSA-N 1 2 202.301 3.158 20 0 BGADLO Cc1c[nH+]cc(NCC2CCCCC2)c1 ZINC000125760752 386315184 /nfs/dbraw/zinc/31/51/84/386315184.db2.gz NVASGHZANQUVBN-UHFFFAOYSA-N 1 2 204.317 3.382 20 0 BGADLO CC(C)=CC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000126006953 384763462 /nfs/dbraw/zinc/76/34/62/384763462.db2.gz PJZPYODBKVQXCY-ZDUSSCGKSA-N 1 2 237.368 3.088 20 0 BGADLO CC(C)=CC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000126006953 384763460 /nfs/dbraw/zinc/76/34/60/384763460.db2.gz PJZPYODBKVQXCY-ZDUSSCGKSA-N 1 2 237.368 3.088 20 0 BGADLO CC(C)=CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000126007225 384763724 /nfs/dbraw/zinc/76/37/24/384763724.db2.gz PJZPYODBKVQXCY-CYBMUJFWSA-N 1 2 237.368 3.088 20 0 BGADLO CC(C)=CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000126007225 384763718 /nfs/dbraw/zinc/76/37/18/384763718.db2.gz PJZPYODBKVQXCY-CYBMUJFWSA-N 1 2 237.368 3.088 20 0 BGADLO Cc1cc(NC(=O)c2cccn2C(C)C)cc[nH+]1 ZINC000126031178 324675875 /nfs/dbraw/zinc/67/58/75/324675875.db2.gz SGZWDCRWNOLBCP-UHFFFAOYSA-N 1 2 243.310 3.025 20 0 BGADLO CCC[C@H](C(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000126037919 324676730 /nfs/dbraw/zinc/67/67/30/324676730.db2.gz PWQNRAOGDPLUCK-ZDUSSCGKSA-N 1 2 234.343 3.401 20 0 BGADLO CCC[C@@H](C(=O)Nc1cc[nH+]c(C)c1)C(C)C ZINC000126038184 388687503 /nfs/dbraw/zinc/68/75/03/388687503.db2.gz PWQNRAOGDPLUCK-CYBMUJFWSA-N 1 2 234.343 3.401 20 0 BGADLO Cc1cc(N)nc(SCCC2CCCC2)[nH+]1 ZINC000126147313 178109678 /nfs/dbraw/zinc/10/96/78/178109678.db2.gz ZIGJWSVGVOIBDY-UHFFFAOYSA-N 1 2 237.372 3.040 20 0 BGADLO Fc1ccc(C[NH+]2CCSCC2)cc1Cl ZINC000126182264 384776219 /nfs/dbraw/zinc/77/62/19/384776219.db2.gz VHWFYKACFWDISI-UHFFFAOYSA-N 1 2 245.750 3.028 20 0 BGADLO CCc1ccc([C@@H]2COCC[N@H+]2CC=C(C)C)o1 ZINC000126214701 371506358 /nfs/dbraw/zinc/50/63/58/371506358.db2.gz UXKQWHHWSVGINJ-AWEZNQCLSA-N 1 2 249.354 3.182 20 0 BGADLO CCc1ccc([C@@H]2COCC[N@@H+]2CC=C(C)C)o1 ZINC000126214701 371506354 /nfs/dbraw/zinc/50/63/54/371506354.db2.gz UXKQWHHWSVGINJ-AWEZNQCLSA-N 1 2 249.354 3.182 20 0 BGADLO CCc1ccc([C@H]2COCC[N@H+]2CC=C(C)C)o1 ZINC000126214934 371506130 /nfs/dbraw/zinc/50/61/30/371506130.db2.gz UXKQWHHWSVGINJ-CQSZACIVSA-N 1 2 249.354 3.182 20 0 BGADLO CCc1ccc([C@H]2COCC[N@@H+]2CC=C(C)C)o1 ZINC000126214934 371506125 /nfs/dbraw/zinc/50/61/25/371506125.db2.gz UXKQWHHWSVGINJ-CQSZACIVSA-N 1 2 249.354 3.182 20 0 BGADLO Fc1ccc(Cl)cc1C[NH+]1CCSCC1 ZINC000126216168 384779425 /nfs/dbraw/zinc/77/94/25/384779425.db2.gz QWGODYYDSUXGJD-UHFFFAOYSA-N 1 2 245.750 3.028 20 0 BGADLO Fc1cc(C[NH+]2CCSCC2)ccc1Cl ZINC000126236820 384779730 /nfs/dbraw/zinc/77/97/30/384779730.db2.gz IMKXRGQZGHPBPP-UHFFFAOYSA-N 1 2 245.750 3.028 20 0 BGADLO Clc1cc(Cn2cc[nH+]c2)c2ccccc2n1 ZINC000126347708 590285741 /nfs/dbraw/zinc/28/57/41/590285741.db2.gz JPHUWMZVULFJDZ-UHFFFAOYSA-N 1 2 243.697 3.133 20 0 BGADLO CCOC1CC([NH2+]c2ccc(N(C)C)cc2C)C1 ZINC000126515009 170329990 /nfs/dbraw/zinc/32/99/90/170329990.db2.gz QOHNCNJAUJRVSL-UHFFFAOYSA-N 1 2 248.370 3.040 20 0 BGADLO CCOC1CC(Nc2ccc([NH+](C)C)cc2C)C1 ZINC000126515009 170329987 /nfs/dbraw/zinc/32/99/87/170329987.db2.gz QOHNCNJAUJRVSL-UHFFFAOYSA-N 1 2 248.370 3.040 20 0 BGADLO CC(C)=CC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126635422 388698001 /nfs/dbraw/zinc/69/80/01/388698001.db2.gz SAJDTCGJZLNOMX-UHFFFAOYSA-N 1 2 240.350 3.492 20 0 BGADLO CC(C)=CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126635422 388697999 /nfs/dbraw/zinc/69/79/99/388697999.db2.gz SAJDTCGJZLNOMX-UHFFFAOYSA-N 1 2 240.350 3.492 20 0 BGADLO Cc1csc([C@H](C)[NH2+]Cc2occc2C)n1 ZINC000126758450 387695829 /nfs/dbraw/zinc/69/58/29/387695829.db2.gz MKDYOZKFCAVYPF-JTQLQIEISA-N 1 2 236.340 3.204 20 0 BGADLO Cc1csc([C@@H](C)[NH2+]Cc2occc2C)n1 ZINC000126758687 387695063 /nfs/dbraw/zinc/69/50/63/387695063.db2.gz MKDYOZKFCAVYPF-SNVBAGLBSA-N 1 2 236.340 3.204 20 0 BGADLO CC[C@H]([NH2+]Cc1occc1C)c1nccs1 ZINC000126927103 387701424 /nfs/dbraw/zinc/70/14/24/387701424.db2.gz GCYHSUIFDDVGLD-JTQLQIEISA-N 1 2 236.340 3.285 20 0 BGADLO CC[C@@H]([NH2+]Cc1occc1C)c1nccs1 ZINC000126927335 387701565 /nfs/dbraw/zinc/70/15/65/387701565.db2.gz GCYHSUIFDDVGLD-SNVBAGLBSA-N 1 2 236.340 3.285 20 0 BGADLO CCc1ccc(CC)c(NCc2c[nH+]cn2C)c1 ZINC000126934268 387700289 /nfs/dbraw/zinc/70/02/89/387700289.db2.gz GNWWXGISXYWXBN-UHFFFAOYSA-N 1 2 243.354 3.157 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000126951015 343718819 /nfs/dbraw/zinc/71/88/19/343718819.db2.gz VSEYSIMOSXFMTL-NMKXLXIOSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000126951015 343718817 /nfs/dbraw/zinc/71/88/17/343718817.db2.gz VSEYSIMOSXFMTL-NMKXLXIOSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000126951254 343718719 /nfs/dbraw/zinc/71/87/19/343718719.db2.gz VSEYSIMOSXFMTL-FMSGJZPZSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000126951254 343718718 /nfs/dbraw/zinc/71/87/18/343718718.db2.gz VSEYSIMOSXFMTL-FMSGJZPZSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000126951481 388709182 /nfs/dbraw/zinc/70/91/82/388709182.db2.gz VSEYSIMOSXFMTL-NRWUCQMLSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000126951481 388709180 /nfs/dbraw/zinc/70/91/80/388709180.db2.gz VSEYSIMOSXFMTL-NRWUCQMLSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000126951702 388710005 /nfs/dbraw/zinc/71/00/05/388710005.db2.gz VSEYSIMOSXFMTL-CIQGVGRVSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000126951702 388710004 /nfs/dbraw/zinc/71/00/04/388710004.db2.gz VSEYSIMOSXFMTL-CIQGVGRVSA-N 1 2 249.354 3.012 20 0 BGADLO Cc1csc([C@H](C)[NH2+]Cc2ccc(C)cn2)n1 ZINC000127019615 324739043 /nfs/dbraw/zinc/73/90/43/324739043.db2.gz CAYQSRFQVDCCFO-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C)cn2)n1 ZINC000127019842 388712105 /nfs/dbraw/zinc/71/21/05/388712105.db2.gz CAYQSRFQVDCCFO-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(C)cn1)c1nccs1 ZINC000127037789 388711467 /nfs/dbraw/zinc/71/14/67/388711467.db2.gz NSWNIHSSMSOYDY-LBPRGKRZSA-N 1 2 247.367 3.087 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(C)cn1)c1nccs1 ZINC000127038036 323004581 /nfs/dbraw/zinc/00/45/81/323004581.db2.gz NSWNIHSSMSOYDY-GFCCVEGCSA-N 1 2 247.367 3.087 20 0 BGADLO C/C=C(\C=C\C(=O)Nc1cc[nH+]c(C)c1)CC ZINC000127168818 187296123 /nfs/dbraw/zinc/29/61/23/187296123.db2.gz DHNFZTRFAJVDEK-QWHRQYHDSA-N 1 2 230.311 3.241 20 0 BGADLO CCNc1cc(N(CC)c2ccccc2)nc[nH+]1 ZINC000127199211 170172805 /nfs/dbraw/zinc/17/28/05/170172805.db2.gz ZZAGSLPRHYGWBK-UHFFFAOYSA-N 1 2 242.326 3.066 20 0 BGADLO Cc1cc(NCc2ccn(C)c2)ccc1[NH+](C)C ZINC000127290291 178174476 /nfs/dbraw/zinc/17/44/76/178174476.db2.gz YTLSEGCIXCKRIS-UHFFFAOYSA-N 1 2 243.354 3.012 20 0 BGADLO OCCCOc1ccc([NH2+]C2CCCCC2)cc1 ZINC000127403066 183061521 /nfs/dbraw/zinc/06/15/21/183061521.db2.gz ADLMIXJAKZZMLP-UHFFFAOYSA-N 1 2 249.354 3.192 20 0 BGADLO CCCCSCc1cc[nH+]c(N(C)C)c1 ZINC000127406904 590653388 /nfs/dbraw/zinc/65/33/88/590653388.db2.gz ZKFVUPVTCYZCHL-UHFFFAOYSA-N 1 2 224.373 3.181 20 0 BGADLO CCc1ccc([C@@H](C)[NH2+]Cc2cscn2)o1 ZINC000127417683 388722416 /nfs/dbraw/zinc/72/24/16/388722416.db2.gz HDBHXASEYMAIQH-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO CCc1ccc([C@H](C)[NH2+]Cc2cscn2)o1 ZINC000127417878 388723258 /nfs/dbraw/zinc/72/32/58/388723258.db2.gz HDBHXASEYMAIQH-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO CN(C)c1cc(CSCC2CCC2)cc[nH+]1 ZINC000127595139 590716443 /nfs/dbraw/zinc/71/64/43/590716443.db2.gz PPTGOUURQLWKNG-UHFFFAOYSA-N 1 2 236.384 3.181 20 0 BGADLO Cc1cc(C(=O)Nc2cc[nH+]c(C)c2)sc1C ZINC000127680916 388730441 /nfs/dbraw/zinc/73/04/41/388730441.db2.gz NWRBXRMMXPKUGQ-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO CCSCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000127736375 324785286 /nfs/dbraw/zinc/78/52/86/324785286.db2.gz OZFYHYKWTFHCDS-UHFFFAOYSA-N 1 2 234.368 3.406 20 0 BGADLO CCCCCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000127748817 590768812 /nfs/dbraw/zinc/76/88/12/590768812.db2.gz SELIPEMVAPRAJE-UHFFFAOYSA-N 1 2 220.316 3.299 20 0 BGADLO CCSCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000127767166 324787052 /nfs/dbraw/zinc/78/70/52/324787052.db2.gz HSFUGDFJYZNQQF-UHFFFAOYSA-N 1 2 242.294 3.068 20 0 BGADLO Cc1cc(CNc2ccc[nH+]c2C)c(C)o1 ZINC000127768750 590775725 /nfs/dbraw/zinc/77/57/25/590775725.db2.gz VOVGJKIMXDIEFR-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO Cc1cc(CNc2c[nH+]cc(C)c2)c(C)o1 ZINC000127769997 590776178 /nfs/dbraw/zinc/77/61/78/590776178.db2.gz MVJRVLNEDLXKPT-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO CCSCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000127867913 387729315 /nfs/dbraw/zinc/72/93/15/387729315.db2.gz RDMQDFJCKBGQLF-UHFFFAOYSA-N 1 2 248.351 3.004 20 0 BGADLO COCc1ccc(CNc2ccc(C)[nH+]c2)cc1 ZINC000128006312 384980441 /nfs/dbraw/zinc/98/04/41/384980441.db2.gz CXMFMUGJIZLIAZ-UHFFFAOYSA-N 1 2 242.322 3.149 20 0 BGADLO Cc1ccc(NCc2cccc(F)c2F)c[nH+]1 ZINC000128009932 388736786 /nfs/dbraw/zinc/73/67/86/388736786.db2.gz GSFFARPBVGPRAC-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1ccsc1CNc1ccc(C)[nH+]c1 ZINC000128016512 398287535 /nfs/dbraw/zinc/28/75/35/398287535.db2.gz MHNBKLKXMPJQJW-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2cccc(F)c2)oc1C ZINC000128026697 388736780 /nfs/dbraw/zinc/73/67/80/388736780.db2.gz CPTWXBRTLBHWBF-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2cccc(F)c2)oc1C ZINC000128026697 388736777 /nfs/dbraw/zinc/73/67/77/388736777.db2.gz CPTWXBRTLBHWBF-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1nc(C)c(CNc2ccc(C)[nH+]c2)s1 ZINC000128032298 324801588 /nfs/dbraw/zinc/80/15/88/324801588.db2.gz GQMZCQQXFZZMQJ-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO CCc1ccc(CNc2ccc(C)[nH+]c2)o1 ZINC000128062339 384988998 /nfs/dbraw/zinc/98/89/98/384988998.db2.gz MLPRYDDJCMFNKI-UHFFFAOYSA-N 1 2 216.284 3.158 20 0 BGADLO CCCCCCSCCn1cc[nH+]c1 ZINC000128063961 590886615 /nfs/dbraw/zinc/88/66/15/590886615.db2.gz VTIQAQDKJKQFCF-UHFFFAOYSA-N 1 2 212.362 3.197 20 0 BGADLO Cc1ccc(F)c(CNc2ccc(C)[nH+]c2)c1 ZINC000128064998 388737290 /nfs/dbraw/zinc/73/72/90/388737290.db2.gz YNRRWQNEZIWZPV-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(NCc2cccc3[nH]ccc32)c[nH+]1 ZINC000128076735 388738194 /nfs/dbraw/zinc/73/81/94/388738194.db2.gz LUSDLGCRLBOUQQ-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO COc1ccc(C)cc1CNc1ccc(C)[nH+]c1 ZINC000128086516 388737432 /nfs/dbraw/zinc/73/74/32/388737432.db2.gz LZVCUNRPJDVDQA-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1cc(C)cc(CNc2cccc[nH+]2)c1 ZINC000128103564 385958360 /nfs/dbraw/zinc/95/83/60/385958360.db2.gz SFSBIMNDJZHECV-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO CCc1ccccc1CNc1[nH+]cccc1OC ZINC000128113778 388739189 /nfs/dbraw/zinc/73/91/89/388739189.db2.gz HIYAYBDIKCGNRY-UHFFFAOYSA-N 1 2 242.322 3.265 20 0 BGADLO Cc1cccc(N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000128125964 179155331 /nfs/dbraw/zinc/15/53/31/179155331.db2.gz CRWNOPWZFITZHV-CQSZACIVSA-N 1 2 241.338 3.292 20 0 BGADLO Cc1cccc(N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000128126175 179157489 /nfs/dbraw/zinc/15/74/89/179157489.db2.gz CRWNOPWZFITZHV-AWEZNQCLSA-N 1 2 241.338 3.292 20 0 BGADLO Cn1cc[nH+]c1[C@H](Nc1ccc(F)cc1)C1CC1 ZINC000128126879 180757099 /nfs/dbraw/zinc/75/70/99/180757099.db2.gz ACAQBFIGSXBRAU-CYBMUJFWSA-N 1 2 245.301 3.122 20 0 BGADLO Cn1cc[nH+]c1[C@@H](Nc1ccc(F)cc1)C1CC1 ZINC000128127121 384995898 /nfs/dbraw/zinc/99/58/98/384995898.db2.gz ACAQBFIGSXBRAU-ZDUSSCGKSA-N 1 2 245.301 3.122 20 0 BGADLO Cc1ccc(N[C@@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000128127351 384995983 /nfs/dbraw/zinc/99/59/83/384995983.db2.gz PBKCBKSJKNHYPM-CQSZACIVSA-N 1 2 241.338 3.292 20 0 BGADLO Cc1ccc(N[C@H](c2[nH+]ccn2C)C2CC2)cc1 ZINC000128127607 384995683 /nfs/dbraw/zinc/99/56/83/384995683.db2.gz PBKCBKSJKNHYPM-AWEZNQCLSA-N 1 2 241.338 3.292 20 0 BGADLO Cn1cc[nH+]c1[C@H](Nc1cccc(F)c1)C1CC1 ZINC000128128317 490573306 /nfs/dbraw/zinc/57/33/06/490573306.db2.gz GLDBEWPDGZZJDR-CYBMUJFWSA-N 1 2 245.301 3.122 20 0 BGADLO Cn1cc[nH+]c1[C@@H](Nc1cccc(F)c1)C1CC1 ZINC000128128549 490571361 /nfs/dbraw/zinc/57/13/61/490571361.db2.gz GLDBEWPDGZZJDR-ZDUSSCGKSA-N 1 2 245.301 3.122 20 0 BGADLO Cc1cc2[nH+]cn(CCCF)c2cc1C ZINC000128178925 178305823 /nfs/dbraw/zinc/30/58/23/178305823.db2.gz TYZBJFRSSQAMAQ-UHFFFAOYSA-N 1 2 206.264 3.013 20 0 BGADLO CC[C@@H](C)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000128186875 388740267 /nfs/dbraw/zinc/74/02/67/388740267.db2.gz VKBWJIGTKADZCL-MRVPVSSYSA-N 1 2 224.254 3.361 20 0 BGADLO CC[C@H](C)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000128187110 388739890 /nfs/dbraw/zinc/73/98/90/388739890.db2.gz VKBWJIGTKADZCL-QMMMGPOBSA-N 1 2 224.254 3.361 20 0 BGADLO CCc1ccc([C@@H](C)[NH2+]Cc2nccs2)o1 ZINC000128238210 384939411 /nfs/dbraw/zinc/93/94/11/384939411.db2.gz WYCJKRSHJRDDJV-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO CCc1ccc([C@H](C)[NH2+]Cc2nccs2)o1 ZINC000128238436 384938515 /nfs/dbraw/zinc/93/85/15/384938515.db2.gz WYCJKRSHJRDDJV-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO C[C@@H]1[C@H](C)SCC[N@H+]1C/C(Cl)=C/Cl ZINC000128252132 590950827 /nfs/dbraw/zinc/95/08/27/590950827.db2.gz AVXNIWYLRJVBTR-XGLHQDMESA-N 1 2 240.199 3.131 20 0 BGADLO C[C@@H]1[C@H](C)SCC[N@@H+]1C/C(Cl)=C/Cl ZINC000128252132 590950822 /nfs/dbraw/zinc/95/08/22/590950822.db2.gz AVXNIWYLRJVBTR-XGLHQDMESA-N 1 2 240.199 3.131 20 0 BGADLO C[C@@H]1SCC[N@@H+](C/C(Cl)=C/Cl)[C@H]1C ZINC000128252390 590951371 /nfs/dbraw/zinc/95/13/71/590951371.db2.gz AVXNIWYLRJVBTR-YBXZGVKSSA-N 1 2 240.199 3.131 20 0 BGADLO C[C@@H]1SCC[N@H+](C/C(Cl)=C/Cl)[C@H]1C ZINC000128252390 590951370 /nfs/dbraw/zinc/95/13/70/590951370.db2.gz AVXNIWYLRJVBTR-YBXZGVKSSA-N 1 2 240.199 3.131 20 0 BGADLO Cc1nc(NCC2(CC(C)C)CC2)cc[nH+]1 ZINC000128266671 324817507 /nfs/dbraw/zinc/81/75/07/324817507.db2.gz HDEDDAVYPMRRGX-UHFFFAOYSA-N 1 2 219.332 3.023 20 0 BGADLO CCCCOCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000128320553 388748044 /nfs/dbraw/zinc/74/80/44/388748044.db2.gz CDJOMOYUTMYSHE-UHFFFAOYSA-N 1 2 246.354 3.470 20 0 BGADLO Cc1cc2[nH+]cn(CC[C@@H]3CCCO3)c2cc1C ZINC000128322292 178304897 /nfs/dbraw/zinc/30/48/97/178304897.db2.gz ZIRWWFOEBGMMBY-ZDUSSCGKSA-N 1 2 244.338 3.222 20 0 BGADLO Cc1cc2[nH+]cn(CC[C@H]3CCCO3)c2cc1C ZINC000128322508 178306317 /nfs/dbraw/zinc/30/63/17/178306317.db2.gz ZIRWWFOEBGMMBY-CYBMUJFWSA-N 1 2 244.338 3.222 20 0 BGADLO Cc1cc2[nH+]cn(CCC3CC3)c2cc1C ZINC000128337109 178305873 /nfs/dbraw/zinc/30/58/73/178305873.db2.gz QMCXJPGEEDUQOA-UHFFFAOYSA-N 1 2 214.312 3.453 20 0 BGADLO c1cc(NCC2(C3CC3)CCC2)nc(C2CC2)[nH+]1 ZINC000128425329 183356890 /nfs/dbraw/zinc/35/68/90/183356890.db2.gz VGFLFVJYJHQTDG-UHFFFAOYSA-N 1 2 243.354 3.346 20 0 BGADLO c1ccc(NCC2(C3CC3)CCC2)[nH+]c1 ZINC000128448056 384950854 /nfs/dbraw/zinc/95/08/54/384950854.db2.gz KGBLTSVVDXBRGH-UHFFFAOYSA-N 1 2 202.301 3.074 20 0 BGADLO CC(C)C[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000128474114 191008602 /nfs/dbraw/zinc/00/86/02/191008602.db2.gz AZZSTHHSPARBTO-SNVBAGLBSA-N 1 2 219.332 3.201 20 0 BGADLO CC(C)C[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000128474337 384945997 /nfs/dbraw/zinc/94/59/97/384945997.db2.gz AZZSTHHSPARBTO-JTQLQIEISA-N 1 2 219.332 3.201 20 0 BGADLO CC(C)[NH2+]c1ccc(N2CCSCC2)cc1 ZINC000128656494 385059419 /nfs/dbraw/zinc/05/94/19/385059419.db2.gz HWIIDCUSGDRCOY-UHFFFAOYSA-N 1 2 236.384 3.060 20 0 BGADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(C)(C)C ZINC000128703623 384959742 /nfs/dbraw/zinc/95/97/42/384959742.db2.gz ZAWSASPPKWVRLO-SECBINFHSA-N 1 2 219.332 3.201 20 0 BGADLO Cc1oc2ccccc2c1C[NH2+]CC(F)F ZINC000128722565 385067921 /nfs/dbraw/zinc/06/79/21/385067921.db2.gz LGXOWUBKDDAGGS-UHFFFAOYSA-N 1 2 225.238 3.096 20 0 BGADLO Cn1cc[nH+]c1[C@H](Nc1ccccc1F)C1CC1 ZINC000128732606 490588051 /nfs/dbraw/zinc/58/80/51/490588051.db2.gz WCKKYALLACWGNK-CYBMUJFWSA-N 1 2 245.301 3.122 20 0 BGADLO Cn1cc[nH+]c1[C@@H](Nc1ccccc1F)C1CC1 ZINC000128732789 490588267 /nfs/dbraw/zinc/58/82/67/490588267.db2.gz WCKKYALLACWGNK-ZDUSSCGKSA-N 1 2 245.301 3.122 20 0 BGADLO CS[C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000128843078 386027610 /nfs/dbraw/zinc/02/76/10/386027610.db2.gz XPPFVHVVRNZKND-SNVBAGLBSA-N 1 2 239.388 3.072 20 0 BGADLO CS[C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000128843298 386028101 /nfs/dbraw/zinc/02/81/01/386028101.db2.gz XPPFVHVVRNZKND-JTQLQIEISA-N 1 2 239.388 3.072 20 0 BGADLO C[C@@H]1C[N@H+](C/C(Cl)=C/Cl)C[C@H](C)S1 ZINC000128932985 591189808 /nfs/dbraw/zinc/18/98/08/591189808.db2.gz CVHABSUBOJODML-VPJUWPHDSA-N 1 2 240.199 3.131 20 0 BGADLO C[C@@H]1C[N@@H+](C/C(Cl)=C/Cl)C[C@H](C)S1 ZINC000128932985 591189805 /nfs/dbraw/zinc/18/98/05/591189805.db2.gz CVHABSUBOJODML-VPJUWPHDSA-N 1 2 240.199 3.131 20 0 BGADLO C[C@@H]1C[NH+](C/C(Cl)=C/Cl)C[C@@H](C)S1 ZINC000128933458 583577656 /nfs/dbraw/zinc/57/76/56/583577656.db2.gz CVHABSUBOJODML-FUIYBJOISA-N 1 2 240.199 3.131 20 0 BGADLO Cc1cc(NC(=O)C[C@@H]2CC[C@H](C)C2)cc[nH+]1 ZINC000128939554 388806839 /nfs/dbraw/zinc/80/68/39/388806839.db2.gz HACHZWGTSNECAW-CMPLNLGQSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cc(NC(=O)C[C@H]2CC[C@H](C)C2)cc[nH+]1 ZINC000128939767 324899472 /nfs/dbraw/zinc/89/94/72/324899472.db2.gz HACHZWGTSNECAW-JQWIXIFHSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cc(NC(=O)C[C@@H]2CC[C@@H](C)C2)cc[nH+]1 ZINC000128939983 388806735 /nfs/dbraw/zinc/80/67/35/388806735.db2.gz HACHZWGTSNECAW-ZYHUDNBSSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cc(NC(=O)C[C@H]2CC[C@@H](C)C2)cc[nH+]1 ZINC000128940186 388805765 /nfs/dbraw/zinc/80/57/65/388805765.db2.gz HACHZWGTSNECAW-PWSUYJOCSA-N 1 2 232.327 3.155 20 0 BGADLO CCC(CC)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000128940637 324898989 /nfs/dbraw/zinc/89/89/89/324898989.db2.gz POXNSZAMWDPNNL-UHFFFAOYSA-N 1 2 220.316 3.155 20 0 BGADLO Fc1cc2[nH+]cn(CCC3CC3)c2cc1F ZINC000129004598 490597005 /nfs/dbraw/zinc/59/70/05/490597005.db2.gz DDSDVPOODUDSRN-UHFFFAOYSA-N 1 2 222.238 3.115 20 0 BGADLO C[C@H]([NH2+]Cc1ccon1)c1cc2ccccc2o1 ZINC000129026468 387760587 /nfs/dbraw/zinc/76/05/87/387760587.db2.gz OTPKORHHMFEENM-JTQLQIEISA-N 1 2 242.278 3.272 20 0 BGADLO C[C@@H]([NH2+]Cc1ccon1)c1cc2ccccc2o1 ZINC000129026673 387762245 /nfs/dbraw/zinc/76/22/45/387762245.db2.gz OTPKORHHMFEENM-SNVBAGLBSA-N 1 2 242.278 3.272 20 0 BGADLO C[C@@H](C[C@H](O)c1cccs1)Nc1cccc[nH+]1 ZINC000129062788 385107787 /nfs/dbraw/zinc/10/77/87/385107787.db2.gz UVMHOUKQYYATNR-QWRGUYRKSA-N 1 2 248.351 3.067 20 0 BGADLO C[C@H](C[C@H](O)c1cccs1)Nc1cccc[nH+]1 ZINC000129062993 385107164 /nfs/dbraw/zinc/10/71/64/385107164.db2.gz UVMHOUKQYYATNR-MNOVXSKESA-N 1 2 248.351 3.067 20 0 BGADLO C[C@@H](C[C@@H](O)c1cccs1)Nc1cccc[nH+]1 ZINC000129063195 385107547 /nfs/dbraw/zinc/10/75/47/385107547.db2.gz UVMHOUKQYYATNR-WDEREUQCSA-N 1 2 248.351 3.067 20 0 BGADLO C[C@H](C[C@@H](O)c1cccs1)Nc1cccc[nH+]1 ZINC000129063426 385106425 /nfs/dbraw/zinc/10/64/25/385106425.db2.gz UVMHOUKQYYATNR-GHMZBOCLSA-N 1 2 248.351 3.067 20 0 BGADLO CC[C@@H](C)CNc1ccc(SC)c[nH+]1 ZINC000129092734 384976392 /nfs/dbraw/zinc/97/63/92/384976392.db2.gz NYOFEWYJKTVCRF-SECBINFHSA-N 1 2 210.346 3.262 20 0 BGADLO CC[C@H](C)CNc1ccc(SC)c[nH+]1 ZINC000129092933 171288168 /nfs/dbraw/zinc/28/81/68/171288168.db2.gz NYOFEWYJKTVCRF-VIFPVBQESA-N 1 2 210.346 3.262 20 0 BGADLO CCC(CC)CC(=O)Nc1cc[nH+]cc1C ZINC000129101737 388816889 /nfs/dbraw/zinc/81/68/89/388816889.db2.gz KHWFCHDVYARYGJ-UHFFFAOYSA-N 1 2 220.316 3.155 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000129101930 385110152 /nfs/dbraw/zinc/11/01/52/385110152.db2.gz HXUYVNLISQCUSG-CMPLNLGQSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000129102145 385109583 /nfs/dbraw/zinc/10/95/83/385109583.db2.gz HXUYVNLISQCUSG-JQWIXIFHSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000129102372 385110394 /nfs/dbraw/zinc/11/03/94/385110394.db2.gz HXUYVNLISQCUSG-ZYHUDNBSSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000129102588 385109482 /nfs/dbraw/zinc/10/94/82/385109482.db2.gz HXUYVNLISQCUSG-PWSUYJOCSA-N 1 2 232.327 3.155 20 0 BGADLO CCC(=CC(=O)Nc1cc[nH+]cc1C)CC ZINC000129102818 168195655 /nfs/dbraw/zinc/19/56/55/168195655.db2.gz XYSGSDPTFDQTLP-UHFFFAOYSA-N 1 2 218.300 3.075 20 0 BGADLO CCC[C@@H](CC)[NH2+]c1ccc2c(c1)NC(=O)CO2 ZINC000129287267 591275649 /nfs/dbraw/zinc/27/56/49/591275649.db2.gz FDIKUTRKPPSXPU-SNVBAGLBSA-N 1 2 248.326 3.008 20 0 BGADLO CCC[C@H](CC)[NH2+]c1ccc2c(c1)NC(=O)CO2 ZINC000129287504 591275623 /nfs/dbraw/zinc/27/56/23/591275623.db2.gz FDIKUTRKPPSXPU-JTQLQIEISA-N 1 2 248.326 3.008 20 0 BGADLO Cc1cnc([C@H](C)[NH2+]Cc2occc2C)s1 ZINC000129571748 385163336 /nfs/dbraw/zinc/16/33/36/385163336.db2.gz RAJBBPFMQXUEMB-JTQLQIEISA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+]Cc2occc2C)s1 ZINC000129571993 385163204 /nfs/dbraw/zinc/16/32/04/385163204.db2.gz RAJBBPFMQXUEMB-SNVBAGLBSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cc(C[NH2+][C@@H](C)c2cscn2)c(C)o1 ZINC000129579943 591328997 /nfs/dbraw/zinc/32/89/97/591328997.db2.gz RNTXYUFJUDUINX-VIFPVBQESA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)c2cscn2)c(C)o1 ZINC000129580151 591329358 /nfs/dbraw/zinc/32/93/58/591329358.db2.gz RNTXYUFJUDUINX-SECBINFHSA-N 1 2 236.340 3.204 20 0 BGADLO CC/C=C(/C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000129632223 640498829 /nfs/dbraw/zinc/49/88/29/640498829.db2.gz GKPDQDUDJAZJCF-CLFYSBASSA-N 1 2 232.327 3.302 20 0 BGADLO Clc1ccc2c(ccn2CCn2cc[nH+]c2)c1 ZINC000129636923 358591078 /nfs/dbraw/zinc/59/10/78/358591078.db2.gz GNOAKICXBLPELW-UHFFFAOYSA-N 1 2 245.713 3.191 20 0 BGADLO CCC(=CC(=O)Nc1cc[nH+]c(C)c1)CC ZINC000129702495 168196075 /nfs/dbraw/zinc/19/60/75/168196075.db2.gz FRKRZOQUHRKPMJ-UHFFFAOYSA-N 1 2 218.300 3.075 20 0 BGADLO CCCC[N@@H+](CC)Cn1nc(C)sc1=S ZINC000129766374 640722351 /nfs/dbraw/zinc/72/23/51/640722351.db2.gz JQUQNNSGJXYFTR-UHFFFAOYSA-N 1 2 245.417 3.062 20 0 BGADLO CCCC[N@H+](CC)Cn1nc(C)sc1=S ZINC000129766374 640722348 /nfs/dbraw/zinc/72/23/48/640722348.db2.gz JQUQNNSGJXYFTR-UHFFFAOYSA-N 1 2 245.417 3.062 20 0 BGADLO CCOc1ccc([NH2+]C2CCC(OC)CC2)cc1 ZINC000129801988 386104962 /nfs/dbraw/zinc/10/49/62/386104962.db2.gz CWNYGRIGSLYYSH-UHFFFAOYSA-N 1 2 249.354 3.455 20 0 BGADLO COc1ccc([NH2+]C2CCC(OC)CC2)cc1 ZINC000129825717 175149653 /nfs/dbraw/zinc/14/96/53/175149653.db2.gz LKEJEWNZXARUCN-UHFFFAOYSA-N 1 2 235.327 3.065 20 0 BGADLO COC1CCC(Nc2ccc([NH+](C)C)cc2)CC1 ZINC000129866662 174025073 /nfs/dbraw/zinc/02/50/73/174025073.db2.gz FYEKWRIFABQPPZ-UHFFFAOYSA-N 1 2 248.370 3.122 20 0 BGADLO COC1CCC([NH2+]c2ccc(N(C)C)cc2)CC1 ZINC000129866662 174025070 /nfs/dbraw/zinc/02/50/70/174025070.db2.gz FYEKWRIFABQPPZ-UHFFFAOYSA-N 1 2 248.370 3.122 20 0 BGADLO COc1cc([NH2+]CCC(C)(C)C)ccc1N ZINC000129938717 591423393 /nfs/dbraw/zinc/42/33/93/591423393.db2.gz DEFJJNDZLWZREH-UHFFFAOYSA-N 1 2 222.332 3.126 20 0 BGADLO Cc1ccc(NC(=O)C2=CCCCC2)c(C)[nH+]1 ZINC000129946705 385205557 /nfs/dbraw/zinc/20/55/57/385205557.db2.gz AZETZESYZRIUCY-UHFFFAOYSA-N 1 2 230.311 3.137 20 0 BGADLO CC[C@@H]1CCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000129948812 358602824 /nfs/dbraw/zinc/60/28/24/358602824.db2.gz CYOXTIATWDWODQ-PWSUYJOCSA-N 1 2 231.343 3.345 20 0 BGADLO CC[C@H]1CCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000129949029 358603121 /nfs/dbraw/zinc/60/31/21/358603121.db2.gz CYOXTIATWDWODQ-JQWIXIFHSA-N 1 2 231.343 3.345 20 0 BGADLO CC[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000129949220 385204512 /nfs/dbraw/zinc/20/45/12/385204512.db2.gz CYOXTIATWDWODQ-ZYHUDNBSSA-N 1 2 231.343 3.345 20 0 BGADLO CC[C@H]1CCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000129949416 358603113 /nfs/dbraw/zinc/60/31/13/358603113.db2.gz CYOXTIATWDWODQ-CMPLNLGQSA-N 1 2 231.343 3.345 20 0 BGADLO COc1ccc([NH2+]C2CCC(OC)CC2)c(C)c1 ZINC000130055741 591433463 /nfs/dbraw/zinc/43/34/63/591433463.db2.gz CDIUMQAEMJOZAQ-UHFFFAOYSA-N 1 2 249.354 3.373 20 0 BGADLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccnc2)cs1 ZINC000130059904 325009318 /nfs/dbraw/zinc/00/93/18/325009318.db2.gz MOOHXRLHAAHRPP-JTQLQIEISA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccnc2)cs1 ZINC000130059904 325009316 /nfs/dbraw/zinc/00/93/16/325009316.db2.gz MOOHXRLHAAHRPP-JTQLQIEISA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nc(C[N@H+](C)[C@H](C)c2cccnc2)cs1 ZINC000130060135 325009115 /nfs/dbraw/zinc/00/91/15/325009115.db2.gz MOOHXRLHAAHRPP-SNVBAGLBSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccnc2)cs1 ZINC000130060135 325009111 /nfs/dbraw/zinc/00/91/11/325009111.db2.gz MOOHXRLHAAHRPP-SNVBAGLBSA-N 1 2 247.367 3.040 20 0 BGADLO COC1CCC(Nc2ccc(C)[nH+]c2C)CC1 ZINC000130090228 174024996 /nfs/dbraw/zinc/02/49/96/174024996.db2.gz QSWKFPJZRHTGCS-UHFFFAOYSA-N 1 2 234.343 3.068 20 0 BGADLO CC(C)OC1CCC(Nc2cccc[nH+]2)CC1 ZINC000130122013 167179530 /nfs/dbraw/zinc/17/95/30/167179530.db2.gz KDAIKSLCLFYBMI-UHFFFAOYSA-N 1 2 234.343 3.230 20 0 BGADLO C[C@]1(CNc2cc[nH+]c(C3CC3)n2)CCCS1 ZINC000130189119 385226702 /nfs/dbraw/zinc/22/67/02/385226702.db2.gz FBXCURSIBRCJNS-CYBMUJFWSA-N 1 2 249.383 3.052 20 0 BGADLO C[C@@]1(CNc2cc[nH+]c(C3CC3)n2)CCCS1 ZINC000130189326 385227265 /nfs/dbraw/zinc/22/72/65/385227265.db2.gz FBXCURSIBRCJNS-ZDUSSCGKSA-N 1 2 249.383 3.052 20 0 BGADLO CCC(CC)C[NH2+]c1ccc(N)c(OC)c1 ZINC000130207754 591448367 /nfs/dbraw/zinc/44/83/67/591448367.db2.gz JWIOHHUUPDFGHY-UHFFFAOYSA-N 1 2 222.332 3.126 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1nc(C)cs1 ZINC000130276326 490368178 /nfs/dbraw/zinc/36/81/78/490368178.db2.gz DLQSJWQYQHYXHX-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1nc(C)cs1 ZINC000130276326 490368172 /nfs/dbraw/zinc/36/81/72/490368172.db2.gz DLQSJWQYQHYXHX-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO Cc1[nH]ncc1C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000130448064 179028124 /nfs/dbraw/zinc/02/81/24/179028124.db2.gz DBBCZNAONCNHNV-UHFFFAOYSA-N 1 2 243.354 3.051 20 0 BGADLO Fc1ccccc1C1([NH2+]Cc2nccs2)CC1 ZINC000130526503 181010506 /nfs/dbraw/zinc/01/05/06/181010506.db2.gz VQLXBMDMMUZXFQ-UHFFFAOYSA-N 1 2 248.326 3.061 20 0 BGADLO C[C@@H]1C[C@H](C)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000130546512 176181491 /nfs/dbraw/zinc/18/14/91/176181491.db2.gz QZUWSVLDKXENOE-VXGBXAGGSA-N 1 2 245.370 3.226 20 0 BGADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@H](C)C1 ZINC000130546742 177171866 /nfs/dbraw/zinc/17/18/66/177171866.db2.gz QZUWSVLDKXENOE-NWDGAFQWSA-N 1 2 245.370 3.226 20 0 BGADLO CCc1cnc(C[NH2+][C@@H](C)c2ccco2)s1 ZINC000130572894 345279531 /nfs/dbraw/zinc/27/95/31/345279531.db2.gz RTTCGRFNWWPEFM-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO CCc1cnc(C[NH2+][C@H](C)c2ccco2)s1 ZINC000130573090 345279857 /nfs/dbraw/zinc/27/98/57/345279857.db2.gz RTTCGRFNWWPEFM-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)Cc1ccc(O)cc1 ZINC000130590448 180226266 /nfs/dbraw/zinc/22/62/66/180226266.db2.gz VDJYEYLFZOOADE-NSHDSACASA-N 1 2 242.322 3.139 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)Cc1ccc(O)cc1 ZINC000130590713 180228563 /nfs/dbraw/zinc/22/85/63/180228563.db2.gz VDJYEYLFZOOADE-LLVKDONJSA-N 1 2 242.322 3.139 20 0 BGADLO Cc1ccc(N[C@@H](C)Cc2ccc(O)cc2)c[nH+]1 ZINC000130610085 385268070 /nfs/dbraw/zinc/26/80/70/385268070.db2.gz CFTWDCQWDQDSCJ-LBPRGKRZSA-N 1 2 242.322 3.139 20 0 BGADLO Cc1ccc(N[C@H](C)Cc2ccc(O)cc2)c[nH+]1 ZINC000130610287 385268610 /nfs/dbraw/zinc/26/86/10/385268610.db2.gz CFTWDCQWDQDSCJ-GFCCVEGCSA-N 1 2 242.322 3.139 20 0 BGADLO Cc1cc2[nH+]cn(C[C@@H]3CCCCO3)c2cc1C ZINC000130722134 343181904 /nfs/dbraw/zinc/18/19/04/343181904.db2.gz QTEQOWLATTYYOQ-ZDUSSCGKSA-N 1 2 244.338 3.222 20 0 BGADLO Cc1cc2[nH+]cn(C[C@H]3CCCCO3)c2cc1C ZINC000130722368 343182206 /nfs/dbraw/zinc/18/22/06/343182206.db2.gz QTEQOWLATTYYOQ-CYBMUJFWSA-N 1 2 244.338 3.222 20 0 BGADLO CSCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000130723052 385057652 /nfs/dbraw/zinc/05/76/52/385057652.db2.gz LGICEOMNGWNGBW-UHFFFAOYSA-N 1 2 220.341 3.016 20 0 BGADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2csnn2)cc1 ZINC000130813042 385284356 /nfs/dbraw/zinc/28/43/56/385284356.db2.gz KDRXWWJPXKLAKN-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2csnn2)cc1 ZINC000130813042 385284349 /nfs/dbraw/zinc/28/43/49/385284349.db2.gz KDRXWWJPXKLAKN-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2csnn2)cc1 ZINC000130813277 385284084 /nfs/dbraw/zinc/28/40/84/385284084.db2.gz KDRXWWJPXKLAKN-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc([C@H](C)[N@H+](C)Cc2csnn2)cc1 ZINC000130813277 385284078 /nfs/dbraw/zinc/28/40/78/385284078.db2.gz KDRXWWJPXKLAKN-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000130821192 385288074 /nfs/dbraw/zinc/28/80/74/385288074.db2.gz IGUYJTDYNKAWFA-CYBMUJFWSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000130821192 385288070 /nfs/dbraw/zinc/28/80/70/385288070.db2.gz IGUYJTDYNKAWFA-CYBMUJFWSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000130821381 385288358 /nfs/dbraw/zinc/28/83/58/385288358.db2.gz IGUYJTDYNKAWFA-ZDUSSCGKSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000130821381 385288356 /nfs/dbraw/zinc/28/83/56/385288356.db2.gz IGUYJTDYNKAWFA-ZDUSSCGKSA-N 1 2 243.354 3.220 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCOCC2(C)C)o1 ZINC000130887383 358651533 /nfs/dbraw/zinc/65/15/33/358651533.db2.gz BJPWOLIKVOEUQY-YPMHNXCESA-N 1 2 249.354 3.014 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOCC2(C)C)o1 ZINC000130887383 358651532 /nfs/dbraw/zinc/65/15/32/358651532.db2.gz BJPWOLIKVOEUQY-YPMHNXCESA-N 1 2 249.354 3.014 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCOCC2(C)C)o1 ZINC000130887614 358651465 /nfs/dbraw/zinc/65/14/65/358651465.db2.gz BJPWOLIKVOEUQY-AAEUAGOBSA-N 1 2 249.354 3.014 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOCC2(C)C)o1 ZINC000130887614 358651464 /nfs/dbraw/zinc/65/14/64/358651464.db2.gz BJPWOLIKVOEUQY-AAEUAGOBSA-N 1 2 249.354 3.014 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCOCC2(C)C)o1 ZINC000130887859 358651492 /nfs/dbraw/zinc/65/14/92/358651492.db2.gz BJPWOLIKVOEUQY-DGCLKSJQSA-N 1 2 249.354 3.014 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCOCC2(C)C)o1 ZINC000130887859 358651490 /nfs/dbraw/zinc/65/14/90/358651490.db2.gz BJPWOLIKVOEUQY-DGCLKSJQSA-N 1 2 249.354 3.014 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCOCC2(C)C)o1 ZINC000130888074 358651387 /nfs/dbraw/zinc/65/13/87/358651387.db2.gz BJPWOLIKVOEUQY-WCQYABFASA-N 1 2 249.354 3.014 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCOCC2(C)C)o1 ZINC000130888074 358651384 /nfs/dbraw/zinc/65/13/84/358651384.db2.gz BJPWOLIKVOEUQY-WCQYABFASA-N 1 2 249.354 3.014 20 0 BGADLO CNc1cc(N[C@H](C)c2ccc(C)s2)[nH+]cn1 ZINC000130894384 632450311 /nfs/dbraw/zinc/45/03/11/632450311.db2.gz KCSWLZYMADSNAX-SECBINFHSA-N 1 2 248.355 3.061 20 0 BGADLO CNc1cc(N[C@H](C)c2ccc(C)s2)nc[nH+]1 ZINC000130894384 632450306 /nfs/dbraw/zinc/45/03/06/632450306.db2.gz KCSWLZYMADSNAX-SECBINFHSA-N 1 2 248.355 3.061 20 0 BGADLO CNc1cc(N[C@@H](C)c2ccc(C)s2)[nH+]cn1 ZINC000130894611 632450438 /nfs/dbraw/zinc/45/04/38/632450438.db2.gz KCSWLZYMADSNAX-VIFPVBQESA-N 1 2 248.355 3.061 20 0 BGADLO CNc1cc(N[C@@H](C)c2ccc(C)s2)nc[nH+]1 ZINC000130894611 632450437 /nfs/dbraw/zinc/45/04/37/632450437.db2.gz KCSWLZYMADSNAX-VIFPVBQESA-N 1 2 248.355 3.061 20 0 BGADLO Cc1cc2[nH+]cn(C/C=C/Cl)c2cc1C ZINC000130904313 591534340 /nfs/dbraw/zinc/53/43/40/591534340.db2.gz PCUIORJJNNWYBR-ONEGZZNKSA-N 1 2 220.703 3.406 20 0 BGADLO Cc1cc2[nH+]cn(CCOC(C)C)c2cc1C ZINC000130905596 178305574 /nfs/dbraw/zinc/30/55/74/178305574.db2.gz ABFUFYHFXIVGEF-UHFFFAOYSA-N 1 2 232.327 3.078 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1cscn1)c1ccoc1 ZINC000130941443 343182127 /nfs/dbraw/zinc/18/21/27/343182127.db2.gz YUAMUGXFJFWFBG-IUCAKERBSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccoc1 ZINC000130941666 343182778 /nfs/dbraw/zinc/18/27/78/343182778.db2.gz YUAMUGXFJFWFBG-BDAKNGLRSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1cscn1 ZINC000130941897 343182721 /nfs/dbraw/zinc/18/27/21/343182721.db2.gz YUAMUGXFJFWFBG-DTWKUNHWSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1cscn1)c1ccoc1 ZINC000130942108 343182605 /nfs/dbraw/zinc/18/26/05/343182605.db2.gz YUAMUGXFJFWFBG-RKDXNWHRSA-N 1 2 222.313 3.148 20 0 BGADLO Cc1cc(C[NH2+]Cc2coc3ccccc23)no1 ZINC000130974602 358655769 /nfs/dbraw/zinc/65/57/69/358655769.db2.gz VCDFFZKCSFNDEO-UHFFFAOYSA-N 1 2 242.278 3.019 20 0 BGADLO Cc1ccoc1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000131090567 179526700 /nfs/dbraw/zinc/52/67/00/179526700.db2.gz PGVNZRHQPGXDPF-UHFFFAOYSA-N 1 2 248.351 3.212 20 0 BGADLO C1=CCC(Nc2ccc3ccccc3[nH+]2)C1 ZINC000131093260 386193507 /nfs/dbraw/zinc/19/35/07/386193507.db2.gz DTMOGULVBZQODL-UHFFFAOYSA-N 1 2 210.280 3.365 20 0 BGADLO CCC[C@@H]1[C@H](C)CCCN1c1cc[nH+]c(C)n1 ZINC000131095374 358659883 /nfs/dbraw/zinc/65/98/83/358659883.db2.gz APROOWOHSADZBP-DGCLKSJQSA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@H]1[C@H](C)CCCN1c1cc[nH+]c(C)n1 ZINC000131095584 358659623 /nfs/dbraw/zinc/65/96/23/358659623.db2.gz APROOWOHSADZBP-YPMHNXCESA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@@H]1[C@@H](C)CCCN1c1cc[nH+]c(C)n1 ZINC000131095809 358660184 /nfs/dbraw/zinc/66/01/84/358660184.db2.gz APROOWOHSADZBP-WCQYABFASA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@H]1[C@@H](C)CCCN1c1cc[nH+]c(C)n1 ZINC000131096007 358659784 /nfs/dbraw/zinc/65/97/84/358659784.db2.gz APROOWOHSADZBP-AAEUAGOBSA-N 1 2 233.359 3.190 20 0 BGADLO FC(F)(F)c1cc[nH+]c(NC2CC=CC2)c1 ZINC000131105294 386194472 /nfs/dbraw/zinc/19/44/72/386194472.db2.gz AYRHMQABIANTNQ-UHFFFAOYSA-N 1 2 228.217 3.231 20 0 BGADLO Cc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)o1 ZINC000131111747 385309532 /nfs/dbraw/zinc/30/95/32/385309532.db2.gz NACAMCKDCCQPIG-UHFFFAOYSA-N 1 2 248.351 3.212 20 0 BGADLO CC(C)CSCc1cc[nH+]c(N(C)C)c1 ZINC000131168505 591564754 /nfs/dbraw/zinc/56/47/54/591564754.db2.gz VQKVMQLNMKVXQK-UHFFFAOYSA-N 1 2 224.373 3.037 20 0 BGADLO Cc1cc(NC(=O)C2=CCCCCC2)cc[nH+]1 ZINC000131216324 178125505 /nfs/dbraw/zinc/12/55/05/178125505.db2.gz AVIVODUXTJHLNV-UHFFFAOYSA-N 1 2 230.311 3.219 20 0 BGADLO Cc1cc(NC2CC(C)C2)nc(C(C)C)[nH+]1 ZINC000131245249 178153016 /nfs/dbraw/zinc/15/30/16/178153016.db2.gz LSHSOSHSYHMMRZ-UHFFFAOYSA-N 1 2 219.332 3.119 20 0 BGADLO Cc1cc(N2CCC3(CCC3)C2)nc(C(C)C)[nH+]1 ZINC000131292971 178112774 /nfs/dbraw/zinc/11/27/74/178112774.db2.gz MYVBBMWHMKCBAU-UHFFFAOYSA-N 1 2 245.370 3.289 20 0 BGADLO CC(C)c1nc(NCC2(C3CC3)CC2)cc[nH+]1 ZINC000131301341 323012795 /nfs/dbraw/zinc/01/27/95/323012795.db2.gz GWEKTKYDRDFOEP-UHFFFAOYSA-N 1 2 231.343 3.202 20 0 BGADLO Cc1cc(NCC2(C3CC3)CC2)nc(C2CC2)[nH+]1 ZINC000131312043 325136322 /nfs/dbraw/zinc/13/63/22/325136322.db2.gz BTDKQIAJWOGIKG-UHFFFAOYSA-N 1 2 243.354 3.265 20 0 BGADLO Cc1cc(N2CCC3(CCC3)C2)nc(C2CC2)[nH+]1 ZINC000131320989 178112952 /nfs/dbraw/zinc/11/29/52/178112952.db2.gz JEJWXXFXGUQMBC-UHFFFAOYSA-N 1 2 243.354 3.043 20 0 BGADLO CCCCOc1ccc(C[NH2+]CC(F)F)cc1 ZINC000131363015 325142953 /nfs/dbraw/zinc/14/29/53/325142953.db2.gz ITAHSJMISFMGOO-UHFFFAOYSA-N 1 2 243.297 3.220 20 0 BGADLO COc1ccc[nH+]c1NC[C@H](C)c1ccccc1 ZINC000131364304 343183263 /nfs/dbraw/zinc/18/32/63/343183263.db2.gz MXXHNSIWDVXELW-LBPRGKRZSA-N 1 2 242.322 3.306 20 0 BGADLO COc1ccc[nH+]c1NC[C@@H](C)c1ccccc1 ZINC000131364506 343182994 /nfs/dbraw/zinc/18/29/94/343182994.db2.gz MXXHNSIWDVXELW-GFCCVEGCSA-N 1 2 242.322 3.306 20 0 BGADLO COCCCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000131528168 174210669 /nfs/dbraw/zinc/21/06/69/174210669.db2.gz VIZKKEOEDLVFSR-UHFFFAOYSA-N 1 2 232.327 3.080 20 0 BGADLO Cc1occc1SCc1cc[nH+]c(N(C)C)c1 ZINC000131542904 591617413 /nfs/dbraw/zinc/61/74/13/591617413.db2.gz LJCKLGIEEKCXFG-UHFFFAOYSA-N 1 2 248.351 3.341 20 0 BGADLO Clc1cccc2c1CCN(c1cccc[nH+]1)C2 ZINC000131642112 358688099 /nfs/dbraw/zinc/68/80/99/358688099.db2.gz DQWFYTZEYXJRHV-UHFFFAOYSA-N 1 2 244.725 3.298 20 0 BGADLO CCc1cc(CC)n(-c2cc[nH+]cc2Cl)n1 ZINC000131651828 411584536 /nfs/dbraw/zinc/58/45/36/411584536.db2.gz ZQWNCIJKNHRGQK-UHFFFAOYSA-N 1 2 235.718 3.046 20 0 BGADLO COC[C@H](C)C[NH2+]c1ccc(OC(C)C)cc1 ZINC000131719688 591645260 /nfs/dbraw/zinc/64/52/60/591645260.db2.gz LIVHXRHFZDRAAU-GFCCVEGCSA-N 1 2 237.343 3.168 20 0 BGADLO COC[C@@H](C)C[NH2+]c1ccc(OC(C)C)cc1 ZINC000131719904 591645295 /nfs/dbraw/zinc/64/52/95/591645295.db2.gz LIVHXRHFZDRAAU-LBPRGKRZSA-N 1 2 237.343 3.168 20 0 BGADLO Cc1nc([C@H](C)[NH2+]Cc2cnccc2C)cs1 ZINC000131733310 358691660 /nfs/dbraw/zinc/69/16/60/358691660.db2.gz PBKQYMFFNQXJME-JTQLQIEISA-N 1 2 247.367 3.006 20 0 BGADLO Cc1nc([C@@H](C)[NH2+]Cc2cnccc2C)cs1 ZINC000131733504 358692240 /nfs/dbraw/zinc/69/22/40/358692240.db2.gz PBKQYMFFNQXJME-SNVBAGLBSA-N 1 2 247.367 3.006 20 0 BGADLO CC(C)[NH2+]CC(F)(F)c1cc(F)cc(F)c1 ZINC000131805480 591664834 /nfs/dbraw/zinc/66/48/34/591664834.db2.gz JLPFKLVMVDLOKQ-UHFFFAOYSA-N 1 2 235.224 3.055 20 0 BGADLO CC(C)[NH2+]CC(F)(F)c1ccc(F)cc1F ZINC000131812517 591664172 /nfs/dbraw/zinc/66/41/72/591664172.db2.gz URHMSEQJZHJSPU-UHFFFAOYSA-N 1 2 235.224 3.055 20 0 BGADLO CCCC[C@@H](COC)Nc1ccc(C)[nH+]c1 ZINC000131866496 191017812 /nfs/dbraw/zinc/01/78/12/191017812.db2.gz OKULBPWIXYUTQF-ZDUSSCGKSA-N 1 2 222.332 3.007 20 0 BGADLO CCCC[C@H](COC)Nc1ccc(C)[nH+]c1 ZINC000131866701 191017554 /nfs/dbraw/zinc/01/75/54/191017554.db2.gz OKULBPWIXYUTQF-CYBMUJFWSA-N 1 2 222.332 3.007 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]C[C@@H](C)COC ZINC000131871107 325188247 /nfs/dbraw/zinc/18/82/47/325188247.db2.gz NIGFXNRVNIWNMA-GFCCVEGCSA-N 1 2 237.343 3.088 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]C[C@H](C)COC ZINC000131871321 325188989 /nfs/dbraw/zinc/18/89/89/325188989.db2.gz NIGFXNRVNIWNMA-LBPRGKRZSA-N 1 2 237.343 3.088 20 0 BGADLO CCOc1ccc([NH2+]C[C@@H](C)COC)c(C)c1 ZINC000131877944 591672374 /nfs/dbraw/zinc/67/23/74/591672374.db2.gz HFPDOPGIFSVMGN-LLVKDONJSA-N 1 2 237.343 3.088 20 0 BGADLO CCOc1ccc([NH2+]C[C@H](C)COC)c(C)c1 ZINC000131878145 591673173 /nfs/dbraw/zinc/67/31/73/591673173.db2.gz HFPDOPGIFSVMGN-NSHDSACASA-N 1 2 237.343 3.088 20 0 BGADLO CC(C)=CCn1c[nH+]c2cc(F)c(F)cc21 ZINC000131881645 358698522 /nfs/dbraw/zinc/69/85/22/358698522.db2.gz JSXRXVZNGCRHKQ-UHFFFAOYSA-N 1 2 222.238 3.281 20 0 BGADLO Cc1cc2[nH+]cn(Cc3cccnc3)c2cc1C ZINC000131895777 398294557 /nfs/dbraw/zinc/29/45/57/398294557.db2.gz PCUWPBRSUFQDMG-UHFFFAOYSA-N 1 2 237.306 3.096 20 0 BGADLO Cc1cc2[nH+]cn(Cc3ccccn3)c2cc1C ZINC000131895954 200666170 /nfs/dbraw/zinc/66/61/70/200666170.db2.gz MFJZOIGITGEASC-UHFFFAOYSA-N 1 2 237.306 3.096 20 0 BGADLO CCCOc1ccc([NH2+]C[C@@H](C)COC)cc1 ZINC000131897527 591674938 /nfs/dbraw/zinc/67/49/38/591674938.db2.gz DXFPQYROHJMWNC-GFCCVEGCSA-N 1 2 237.343 3.170 20 0 BGADLO CCCOc1ccc([NH2+]C[C@H](C)COC)cc1 ZINC000131897728 591676029 /nfs/dbraw/zinc/67/60/29/591676029.db2.gz DXFPQYROHJMWNC-LBPRGKRZSA-N 1 2 237.343 3.170 20 0 BGADLO CC(C)=CC(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000131949735 385368876 /nfs/dbraw/zinc/36/88/76/385368876.db2.gz FGQQHVMLTNKJAY-UHFFFAOYSA-N 1 2 248.326 3.164 20 0 BGADLO Cc1cc(C[NH2+]CC(F)F)ccc1Cl ZINC000132159947 344280915 /nfs/dbraw/zinc/28/09/15/344280915.db2.gz QHTOCWGOFKZIHF-UHFFFAOYSA-N 1 2 219.662 3.003 20 0 BGADLO CCCC[C@@H](COC)Nc1ccc[nH+]c1C ZINC000132181481 191026154 /nfs/dbraw/zinc/02/61/54/191026154.db2.gz VVZBWJYBTNJRCG-LBPRGKRZSA-N 1 2 222.332 3.007 20 0 BGADLO CCCC[C@H](COC)Nc1ccc[nH+]c1C ZINC000132181690 191026937 /nfs/dbraw/zinc/02/69/37/191026937.db2.gz VVZBWJYBTNJRCG-GFCCVEGCSA-N 1 2 222.332 3.007 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)CCc2ccco2)c1 ZINC000132220959 325205209 /nfs/dbraw/zinc/20/52/09/325205209.db2.gz YWIOVFUXMSUKQL-LBPRGKRZSA-N 1 2 230.311 3.416 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)CCc2ccco2)c1 ZINC000132221162 325205303 /nfs/dbraw/zinc/20/53/03/325205303.db2.gz YWIOVFUXMSUKQL-GFCCVEGCSA-N 1 2 230.311 3.416 20 0 BGADLO CCCC[C@@H](COC)Nc1c[nH+]cc(C)c1 ZINC000132225328 191027320 /nfs/dbraw/zinc/02/73/20/191027320.db2.gz UZGRDUTXADHVJJ-LBPRGKRZSA-N 1 2 222.332 3.007 20 0 BGADLO CCCC[C@H](COC)Nc1c[nH+]cc(C)c1 ZINC000132225524 191027899 /nfs/dbraw/zinc/02/78/99/191027899.db2.gz UZGRDUTXADHVJJ-GFCCVEGCSA-N 1 2 222.332 3.007 20 0 BGADLO Cc1cc(NCc2ccoc2)nc(C(C)C)[nH+]1 ZINC000132296486 353379366 /nfs/dbraw/zinc/37/93/66/353379366.db2.gz GJFVGLQUZNBQOF-UHFFFAOYSA-N 1 2 231.299 3.114 20 0 BGADLO CCC[C@@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000132348623 325212412 /nfs/dbraw/zinc/21/24/12/325212412.db2.gz YHLCAQCHHQGMNI-SNVBAGLBSA-N 1 2 220.316 3.155 20 0 BGADLO CCC[C@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000132348789 325212104 /nfs/dbraw/zinc/21/21/04/325212104.db2.gz YHLCAQCHHQGMNI-JTQLQIEISA-N 1 2 220.316 3.155 20 0 BGADLO c1ccc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)[nH+]c1 ZINC000132410293 384229035 /nfs/dbraw/zinc/22/90/35/384229035.db2.gz OMKHBUIHYVSJCM-IIAWOOMASA-N 1 2 236.318 3.079 20 0 BGADLO c1ccc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[nH+]c1 ZINC000132410517 384228998 /nfs/dbraw/zinc/22/89/98/384228998.db2.gz OMKHBUIHYVSJCM-LZWOXQAQSA-N 1 2 236.318 3.079 20 0 BGADLO CCSCc1cc[nH+]c(NC(C)C)c1 ZINC000132456749 191032856 /nfs/dbraw/zinc/03/28/56/191032856.db2.gz RAXUWURHRGJUTB-UHFFFAOYSA-N 1 2 210.346 3.155 20 0 BGADLO COCCCC[NH2+]c1ccc(OC(F)F)cc1 ZINC000132558947 174204418 /nfs/dbraw/zinc/20/44/18/174204418.db2.gz KWBJTZKEUYQYMT-UHFFFAOYSA-N 1 2 245.269 3.127 20 0 BGADLO CCOC(=O)CCCC[N@@H+](CC)c1ccccc1 ZINC000132560762 358728142 /nfs/dbraw/zinc/72/81/42/358728142.db2.gz YCQGFOBCXPCWLN-UHFFFAOYSA-N 1 2 249.354 3.246 20 0 BGADLO CCOC(=O)CCCC[N@H+](CC)c1ccccc1 ZINC000132560762 358728141 /nfs/dbraw/zinc/72/81/41/358728141.db2.gz YCQGFOBCXPCWLN-UHFFFAOYSA-N 1 2 249.354 3.246 20 0 BGADLO Cc1cc(NC(=O)c2ccc(F)cc2C)cc[nH+]1 ZINC000132583826 178150368 /nfs/dbraw/zinc/15/03/68/178150368.db2.gz HPASWXKTRUJFRU-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1cc(Nc2ccc3[nH]ccc3c2)nc(C)[nH+]1 ZINC000132718422 178192260 /nfs/dbraw/zinc/19/22/60/178192260.db2.gz AVBFMQLYNCYBLT-UHFFFAOYSA-N 1 2 238.294 3.318 20 0 BGADLO CCOC(=O)CCCC[N@@H+](C)c1ccc(C)cc1 ZINC000132730981 591733753 /nfs/dbraw/zinc/73/37/53/591733753.db2.gz VWXNYWVCIYCARU-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO CCOC(=O)CCCC[N@H+](C)c1ccc(C)cc1 ZINC000132730981 591733750 /nfs/dbraw/zinc/73/37/50/591733750.db2.gz VWXNYWVCIYCARU-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO Cc1ccccc1CSCc1[nH+]ccn1C ZINC000132996346 325259304 /nfs/dbraw/zinc/25/93/04/325259304.db2.gz AKOBQIAYOMNYIR-UHFFFAOYSA-N 1 2 232.352 3.162 20 0 BGADLO Cc1ccc([NH2+]C(C)C)c(OC[C@@H]2CCCO2)c1 ZINC000133003007 191104066 /nfs/dbraw/zinc/10/40/66/191104066.db2.gz WEHOOVXZDVMXIT-ZDUSSCGKSA-N 1 2 249.354 3.373 20 0 BGADLO Cc1ccc([NH2+]C(C)C)c(OC[C@H]2CCCO2)c1 ZINC000133003177 191104270 /nfs/dbraw/zinc/10/42/70/191104270.db2.gz WEHOOVXZDVMXIT-CYBMUJFWSA-N 1 2 249.354 3.373 20 0 BGADLO CC(C)[NH2+]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000133005944 167148114 /nfs/dbraw/zinc/14/81/14/167148114.db2.gz PMWWQSDYCHVKNI-AWEZNQCLSA-N 1 2 235.327 3.065 20 0 BGADLO CC(C)[NH2+]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000133006134 167148372 /nfs/dbraw/zinc/14/83/72/167148372.db2.gz PMWWQSDYCHVKNI-CQSZACIVSA-N 1 2 235.327 3.065 20 0 BGADLO CC(C)[NH2+]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000133017949 167147355 /nfs/dbraw/zinc/14/73/55/167147355.db2.gz BKYIYGNAYHIHIJ-LSDHHAIUSA-N 1 2 249.354 3.189 20 0 BGADLO CC(C)[NH2+]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000133018188 167146728 /nfs/dbraw/zinc/14/67/28/167146728.db2.gz BKYIYGNAYHIHIJ-GJZGRUSLSA-N 1 2 249.354 3.189 20 0 BGADLO CC(C)[NH2+]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000133018421 167148181 /nfs/dbraw/zinc/14/81/81/167148181.db2.gz BKYIYGNAYHIHIJ-HUUCEWRRSA-N 1 2 249.354 3.189 20 0 BGADLO CC(C)[NH2+]c1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000133018641 167146379 /nfs/dbraw/zinc/14/63/79/167146379.db2.gz BKYIYGNAYHIHIJ-CABCVRRESA-N 1 2 249.354 3.189 20 0 BGADLO CC[C@@H](C)C(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000133028292 358743458 /nfs/dbraw/zinc/74/34/58/358743458.db2.gz YFJGKQDXOFWYSJ-SNVBAGLBSA-N 1 2 244.338 3.268 20 0 BGADLO CC[C@H](C)C(=O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000133028478 358743499 /nfs/dbraw/zinc/74/34/99/358743499.db2.gz YFJGKQDXOFWYSJ-JTQLQIEISA-N 1 2 244.338 3.268 20 0 BGADLO CC(C)[NH2+]c1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000133037349 384270422 /nfs/dbraw/zinc/27/04/22/384270422.db2.gz BXKSUVMEASEFFC-BETUJISGSA-N 1 2 248.370 3.121 20 0 BGADLO CC(C)[NH2+]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000133037517 384268677 /nfs/dbraw/zinc/26/86/77/384268677.db2.gz BXKSUVMEASEFFC-STQMWFEESA-N 1 2 248.370 3.121 20 0 BGADLO CC(C)[NH2+]c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000133037735 384270675 /nfs/dbraw/zinc/27/06/75/384270675.db2.gz BXKSUVMEASEFFC-CHWSQXEVSA-N 1 2 248.370 3.121 20 0 BGADLO Cc1cc([NH2+]C(C)C)ccc1OC1CCOCC1 ZINC000133060398 178153327 /nfs/dbraw/zinc/15/33/27/178153327.db2.gz UOCCWEGWZDWXLO-UHFFFAOYSA-N 1 2 249.354 3.373 20 0 BGADLO CC(C)CC[C@@H]1CCCN1c1cccc[nH+]1 ZINC000133094601 398231264 /nfs/dbraw/zinc/23/12/64/398231264.db2.gz QTORVUGLWXROCI-ZDUSSCGKSA-N 1 2 218.344 3.487 20 0 BGADLO CC(C)CC[C@H]1CCCN1c1cccc[nH+]1 ZINC000133094762 353398494 /nfs/dbraw/zinc/39/84/94/353398494.db2.gz QTORVUGLWXROCI-CYBMUJFWSA-N 1 2 218.344 3.487 20 0 BGADLO Cc1nc(N2CCC[C@@H]2CCC(C)C)cc[nH+]1 ZINC000133114675 358746458 /nfs/dbraw/zinc/74/64/58/358746458.db2.gz OEPSREICTWHSDH-CYBMUJFWSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1nc(N2CCC[C@H]2CCC(C)C)cc[nH+]1 ZINC000133114849 358746267 /nfs/dbraw/zinc/74/62/67/358746267.db2.gz OEPSREICTWHSDH-ZDUSSCGKSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1cc(N2CCC[C@@H]2CCC(C)C)nc[nH+]1 ZINC000133119848 178115402 /nfs/dbraw/zinc/11/54/02/178115402.db2.gz YBBJCWYJSVNNHA-CYBMUJFWSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1cc(N2CCC[C@H]2CCC(C)C)nc[nH+]1 ZINC000133120072 178116139 /nfs/dbraw/zinc/11/61/39/178116139.db2.gz YBBJCWYJSVNNHA-ZDUSSCGKSA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@@H](C)[C@@H]1CCCN1c1cccc[nH+]1 ZINC000133132136 169373282 /nfs/dbraw/zinc/37/32/82/169373282.db2.gz SMOGOXHAYGKHCO-OLZOCXBDSA-N 1 2 218.344 3.487 20 0 BGADLO CCC[C@H](C)[C@@H]1CCCN1c1cccc[nH+]1 ZINC000133132335 386276420 /nfs/dbraw/zinc/27/64/20/386276420.db2.gz SMOGOXHAYGKHCO-STQMWFEESA-N 1 2 218.344 3.487 20 0 BGADLO CCC[C@@H](C)[C@H]1CCCN1c1cccc[nH+]1 ZINC000133132552 169374176 /nfs/dbraw/zinc/37/41/76/169374176.db2.gz SMOGOXHAYGKHCO-CHWSQXEVSA-N 1 2 218.344 3.487 20 0 BGADLO CCC[C@H](C)[C@H]1CCCN1c1cccc[nH+]1 ZINC000133132741 386275511 /nfs/dbraw/zinc/27/55/11/386275511.db2.gz SMOGOXHAYGKHCO-QWHCGFSZSA-N 1 2 218.344 3.487 20 0 BGADLO C[C@H](CNc1cccc[nH+]1)Cc1ccccc1 ZINC000133161997 358747180 /nfs/dbraw/zinc/74/71/80/358747180.db2.gz FIHFFHLNUCXTAS-ZDUSSCGKSA-N 1 2 226.323 3.372 20 0 BGADLO C[C@@H](CNc1cccc[nH+]1)Cc1ccccc1 ZINC000133162197 358746883 /nfs/dbraw/zinc/74/68/83/358746883.db2.gz FIHFFHLNUCXTAS-CYBMUJFWSA-N 1 2 226.323 3.372 20 0 BGADLO CCC[C@@H](C)[C@@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000133162695 364301710 /nfs/dbraw/zinc/30/17/10/364301710.db2.gz ONGFURFDBGDEHQ-YPMHNXCESA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@H](C)[C@@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000133162889 364301543 /nfs/dbraw/zinc/30/15/43/364301543.db2.gz ONGFURFDBGDEHQ-AAEUAGOBSA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@@H](C)[C@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000133163074 325274606 /nfs/dbraw/zinc/27/46/06/325274606.db2.gz ONGFURFDBGDEHQ-DGCLKSJQSA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@H](C)[C@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000133163221 325274411 /nfs/dbraw/zinc/27/44/11/325274411.db2.gz ONGFURFDBGDEHQ-WCQYABFASA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@@H](C)[C@@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000133171735 169373318 /nfs/dbraw/zinc/37/33/18/169373318.db2.gz AITXCKQBLLXKLL-YPMHNXCESA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@H](C)[C@@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000133171890 386297117 /nfs/dbraw/zinc/29/71/17/386297117.db2.gz AITXCKQBLLXKLL-AAEUAGOBSA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@@H](C)[C@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000133172064 169373987 /nfs/dbraw/zinc/37/39/87/169373987.db2.gz AITXCKQBLLXKLL-DGCLKSJQSA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@H](C)[C@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000133172275 169495258 /nfs/dbraw/zinc/49/52/58/169495258.db2.gz AITXCKQBLLXKLL-WCQYABFASA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@@H](CCO)Nc1[nH+]c2ccccc2cc1C ZINC000133207139 386287532 /nfs/dbraw/zinc/28/75/32/386287532.db2.gz LYGHWZTUDJKWQK-ZDUSSCGKSA-N 1 2 244.338 3.116 20 0 BGADLO CC[C@H](CCO)Nc1[nH+]c2ccccc2cc1C ZINC000133207345 386288783 /nfs/dbraw/zinc/28/87/83/386288783.db2.gz LYGHWZTUDJKWQK-CYBMUJFWSA-N 1 2 244.338 3.116 20 0 BGADLO COC(C)(C)CNc1[nH+]c2ccccc2cc1C ZINC000133210237 386287894 /nfs/dbraw/zinc/28/78/94/386287894.db2.gz DLDLHFGWURQGQY-UHFFFAOYSA-N 1 2 244.338 3.380 20 0 BGADLO CC[C@H](O)CCNc1[nH+]c2ccccc2cc1C ZINC000133218048 386287960 /nfs/dbraw/zinc/28/79/60/386287960.db2.gz SSVCUXVPPVZXFJ-ZDUSSCGKSA-N 1 2 244.338 3.116 20 0 BGADLO CC[C@@H](O)CCNc1[nH+]c2ccccc2cc1C ZINC000133218217 353403100 /nfs/dbraw/zinc/40/31/00/353403100.db2.gz SSVCUXVPPVZXFJ-CYBMUJFWSA-N 1 2 244.338 3.116 20 0 BGADLO Cc1nc(N2CCC[C@H](CC(C)C)C2)cc[nH+]1 ZINC000133230898 325279157 /nfs/dbraw/zinc/27/91/57/325279157.db2.gz ATCFSBMJRIRTPA-CYBMUJFWSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1nc(N2CCC[C@@H](CC(C)C)C2)cc[nH+]1 ZINC000133231091 325279193 /nfs/dbraw/zinc/27/91/93/325279193.db2.gz ATCFSBMJRIRTPA-ZDUSSCGKSA-N 1 2 233.359 3.048 20 0 BGADLO CC[C@@H](C)Sc1[nH+]cc2ccccn21 ZINC000133272312 325280950 /nfs/dbraw/zinc/28/09/50/325280950.db2.gz RLFURSYDSNDISW-SECBINFHSA-N 1 2 206.314 3.225 20 0 BGADLO CC[C@H](C)Sc1[nH+]cc2ccccn21 ZINC000133272513 323018393 /nfs/dbraw/zinc/01/83/93/323018393.db2.gz RLFURSYDSNDISW-VIFPVBQESA-N 1 2 206.314 3.225 20 0 BGADLO CCC[N@H+](Cc1ccc(F)cc1)CC(F)F ZINC000133272749 323018317 /nfs/dbraw/zinc/01/83/17/323018317.db2.gz UCKPBNRQTXYCSR-UHFFFAOYSA-N 1 2 231.261 3.303 20 0 BGADLO CCC[N@@H+](Cc1ccc(F)cc1)CC(F)F ZINC000133272749 323018316 /nfs/dbraw/zinc/01/83/16/323018316.db2.gz UCKPBNRQTXYCSR-UHFFFAOYSA-N 1 2 231.261 3.303 20 0 BGADLO CCC[N@H+](Cc1ccc(OC)cc1)CC(F)F ZINC000133334633 325287221 /nfs/dbraw/zinc/28/72/21/325287221.db2.gz CNQFLGHLWZKDNW-UHFFFAOYSA-N 1 2 243.297 3.172 20 0 BGADLO CCC[N@@H+](Cc1ccc(OC)cc1)CC(F)F ZINC000133334633 325287220 /nfs/dbraw/zinc/28/72/20/325287220.db2.gz CNQFLGHLWZKDNW-UHFFFAOYSA-N 1 2 243.297 3.172 20 0 BGADLO CCC[N@H+](Cc1cccc(F)c1)CC(F)F ZINC000133356628 323018676 /nfs/dbraw/zinc/01/86/76/323018676.db2.gz PUZIJLODLHANQO-UHFFFAOYSA-N 1 2 231.261 3.303 20 0 BGADLO CCC[N@@H+](Cc1cccc(F)c1)CC(F)F ZINC000133356628 323018675 /nfs/dbraw/zinc/01/86/75/323018675.db2.gz PUZIJLODLHANQO-UHFFFAOYSA-N 1 2 231.261 3.303 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1nccs1)c1cncs1 ZINC000133357074 591787291 /nfs/dbraw/zinc/78/72/91/591787291.db2.gz BUXIYSCESYOLJO-YUMQZZPRSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1cncs1 ZINC000133357293 591787846 /nfs/dbraw/zinc/78/78/46/591787846.db2.gz BUXIYSCESYOLJO-SFYZADRCSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1nccs1 ZINC000133357501 591787283 /nfs/dbraw/zinc/78/72/83/591787283.db2.gz BUXIYSCESYOLJO-JGVFFNPUSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1nccs1)c1cncs1 ZINC000133357712 591787288 /nfs/dbraw/zinc/78/72/88/591787288.db2.gz BUXIYSCESYOLJO-HTQZYQBOSA-N 1 2 239.369 3.011 20 0 BGADLO CCC[N@@H+](CCOc1ccccc1)CC(F)F ZINC000133378398 325291583 /nfs/dbraw/zinc/29/15/83/325291583.db2.gz KWHBVVZDWQNCDB-UHFFFAOYSA-N 1 2 243.297 3.043 20 0 BGADLO CCC[N@H+](CCOc1ccccc1)CC(F)F ZINC000133378398 325291580 /nfs/dbraw/zinc/29/15/80/325291580.db2.gz KWHBVVZDWQNCDB-UHFFFAOYSA-N 1 2 243.297 3.043 20 0 BGADLO C[C@@H]1CC[N@H+]1Cc1ccc(Br)s1 ZINC000133390609 372036198 /nfs/dbraw/zinc/03/61/98/372036198.db2.gz HCQQHDJPZCMZCV-SSDOTTSWSA-N 1 2 246.173 3.105 20 0 BGADLO C[C@@H]1CC[N@@H+]1Cc1ccc(Br)s1 ZINC000133390609 372036190 /nfs/dbraw/zinc/03/61/90/372036190.db2.gz HCQQHDJPZCMZCV-SSDOTTSWSA-N 1 2 246.173 3.105 20 0 BGADLO C[C@H]1CC[N@H+]1Cc1ccc(Br)s1 ZINC000133390756 372035531 /nfs/dbraw/zinc/03/55/31/372035531.db2.gz HCQQHDJPZCMZCV-ZETCQYMHSA-N 1 2 246.173 3.105 20 0 BGADLO C[C@H]1CC[N@@H+]1Cc1ccc(Br)s1 ZINC000133390756 372035528 /nfs/dbraw/zinc/03/55/28/372035528.db2.gz HCQQHDJPZCMZCV-ZETCQYMHSA-N 1 2 246.173 3.105 20 0 BGADLO CCC[N@H+](Cc1ccccc1)CC(F)F ZINC000133403815 325293616 /nfs/dbraw/zinc/29/36/16/325293616.db2.gz HUFQDNIQDRTQTD-UHFFFAOYSA-N 1 2 213.271 3.164 20 0 BGADLO CCC[N@@H+](Cc1ccccc1)CC(F)F ZINC000133403815 325293614 /nfs/dbraw/zinc/29/36/14/325293614.db2.gz HUFQDNIQDRTQTD-UHFFFAOYSA-N 1 2 213.271 3.164 20 0 BGADLO CCN(c1cc(C)[nH+]c(C(C)C)n1)C(C)C ZINC000133433451 353417877 /nfs/dbraw/zinc/41/78/77/353417877.db2.gz SZGXYOCRVHZZCU-UHFFFAOYSA-N 1 2 221.348 3.143 20 0 BGADLO CCc1nc(C[NH2+][C@@H](C)c2ccoc2)cs1 ZINC000133969359 325334773 /nfs/dbraw/zinc/33/47/73/325334773.db2.gz NDNLSERLNMNDGX-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO CCc1nc(C[NH2+][C@H](C)c2ccoc2)cs1 ZINC000133969536 325334703 /nfs/dbraw/zinc/33/47/03/325334703.db2.gz NDNLSERLNMNDGX-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO CCc1ccc(C[NH2+]Cc2cc(C(C)C)no2)o1 ZINC000134012642 491161464 /nfs/dbraw/zinc/16/14/64/491161464.db2.gz HEUXMBMTNMENIF-UHFFFAOYSA-N 1 2 248.326 3.243 20 0 BGADLO Cc1ccc(N[C@@H](C)c2ccc(F)cn2)c[nH+]1 ZINC000134120881 358780758 /nfs/dbraw/zinc/78/07/58/358780758.db2.gz ZKLYUKFQCRDADB-JTQLQIEISA-N 1 2 231.274 3.097 20 0 BGADLO Cc1ccc(N[C@H](C)c2ccc(F)cn2)c[nH+]1 ZINC000134121075 358781027 /nfs/dbraw/zinc/78/10/27/358781027.db2.gz ZKLYUKFQCRDADB-SNVBAGLBSA-N 1 2 231.274 3.097 20 0 BGADLO Cc1ncc([C@@H](C)Nc2cccc[nH+]2)s1 ZINC000134133436 541355945 /nfs/dbraw/zinc/35/59/45/541355945.db2.gz UKGZHTJHILVFCC-MRVPVSSYSA-N 1 2 219.313 3.020 20 0 BGADLO Cc1ncc([C@H](C)Nc2cccc[nH+]2)s1 ZINC000134133654 541355811 /nfs/dbraw/zinc/35/58/11/541355811.db2.gz UKGZHTJHILVFCC-QMMMGPOBSA-N 1 2 219.313 3.020 20 0 BGADLO CCC(=CC(=O)Nc1ccc(C)[nH+]c1C)CC ZINC000134164901 168195291 /nfs/dbraw/zinc/19/52/91/168195291.db2.gz XSVYXHWYFDTWJN-UHFFFAOYSA-N 1 2 232.327 3.383 20 0 BGADLO CCc1cc(C)c(C(=O)Nc2cc[nH+]c(C)c2)o1 ZINC000134230926 325349954 /nfs/dbraw/zinc/34/99/54/325349954.db2.gz PWHOBXMYEKZDAM-UHFFFAOYSA-N 1 2 244.294 3.106 20 0 BGADLO C[C@H]([NH2+]c1ccc2c(c1)CCO2)C(C)(C)C ZINC000134262561 591907889 /nfs/dbraw/zinc/90/78/89/591907889.db2.gz PEMOOPQEXGJVCQ-JTQLQIEISA-N 1 2 219.328 3.468 20 0 BGADLO C[C@@H]([NH2+]c1ccc2c(c1)CCO2)C(C)(C)C ZINC000134262580 591907506 /nfs/dbraw/zinc/90/75/06/591907506.db2.gz PEMOOPQEXGJVCQ-SNVBAGLBSA-N 1 2 219.328 3.468 20 0 BGADLO CSc1ccc(N[C@@H](C)C2CC2)[nH+]c1 ZINC000134308271 386405609 /nfs/dbraw/zinc/40/56/09/386405609.db2.gz YBKOZQSPDJUTNS-QMMMGPOBSA-N 1 2 208.330 3.014 20 0 BGADLO CSc1ccc(N[C@H](C)C2CC2)[nH+]c1 ZINC000134308293 386406169 /nfs/dbraw/zinc/40/61/69/386406169.db2.gz YBKOZQSPDJUTNS-MRVPVSSYSA-N 1 2 208.330 3.014 20 0 BGADLO CSc1ccc(N[C@H](C)C(C)C)[nH+]c1 ZINC000134308915 372194082 /nfs/dbraw/zinc/19/40/82/372194082.db2.gz VUMYFRTUNYYDSV-SECBINFHSA-N 1 2 210.346 3.260 20 0 BGADLO CSc1ccc(N[C@@H](C)C(C)C)[nH+]c1 ZINC000134308939 372194328 /nfs/dbraw/zinc/19/43/28/372194328.db2.gz VUMYFRTUNYYDSV-VIFPVBQESA-N 1 2 210.346 3.260 20 0 BGADLO CC[C@H](Nc1ccc(SC)c[nH+]1)C1CC1 ZINC000134309619 364398019 /nfs/dbraw/zinc/39/80/19/364398019.db2.gz BHJDUFFGAWXPAM-NSHDSACASA-N 1 2 222.357 3.404 20 0 BGADLO CC[C@@H](Nc1ccc(SC)c[nH+]1)C1CC1 ZINC000134309645 364398590 /nfs/dbraw/zinc/39/85/90/364398590.db2.gz BHJDUFFGAWXPAM-LLVKDONJSA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc(NC(C2CC2)C2CC2)[nH+]c1 ZINC000134310652 325353589 /nfs/dbraw/zinc/35/35/89/325353589.db2.gz DKWHDZFAPSVOKC-UHFFFAOYSA-N 1 2 234.368 3.404 20 0 BGADLO Cc1ncc([C@H](C)Nc2ccc(C)[nH+]c2)s1 ZINC000134314126 491162991 /nfs/dbraw/zinc/16/29/91/491162991.db2.gz UVHUOKXRCCIGMR-VIFPVBQESA-N 1 2 233.340 3.328 20 0 BGADLO Cc1ncc([C@@H](C)Nc2ccc(C)[nH+]c2)s1 ZINC000134314146 491162978 /nfs/dbraw/zinc/16/29/78/491162978.db2.gz UVHUOKXRCCIGMR-SECBINFHSA-N 1 2 233.340 3.328 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCCC2(C)C)c1 ZINC000134339953 325354447 /nfs/dbraw/zinc/35/44/47/325354447.db2.gz PPTGSNBKZVFOSU-GFCCVEGCSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCCC2(C)C)c1 ZINC000134339967 325354369 /nfs/dbraw/zinc/35/43/69/325354369.db2.gz PPTGSNBKZVFOSU-LBPRGKRZSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)CC2CCC2)c1 ZINC000134340107 538111814 /nfs/dbraw/zinc/11/18/14/538111814.db2.gz HKMDNALDHOLLLL-NSHDSACASA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)CC2CCC2)c1 ZINC000134340127 538111812 /nfs/dbraw/zinc/11/18/12/538111812.db2.gz HKMDNALDHOLLLL-LLVKDONJSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCCC[C@@H]2C)c1 ZINC000134340902 325354464 /nfs/dbraw/zinc/35/44/64/325354464.db2.gz KKGRJIZGTDRDRD-WCQYABFASA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCCC[C@@H]2C)c1 ZINC000134340922 325354611 /nfs/dbraw/zinc/35/46/11/325354611.db2.gz KKGRJIZGTDRDRD-AAEUAGOBSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCCC[C@H]2C)c1 ZINC000134340942 325354341 /nfs/dbraw/zinc/35/43/41/325354341.db2.gz KKGRJIZGTDRDRD-DGCLKSJQSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCCC[C@H]2C)c1 ZINC000134340960 325354422 /nfs/dbraw/zinc/35/44/22/325354422.db2.gz KKGRJIZGTDRDRD-YPMHNXCESA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)C2CCCC2)c1 ZINC000134341194 325354483 /nfs/dbraw/zinc/35/44/83/325354483.db2.gz KPJYTTSEJYHXJR-NSHDSACASA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)C2CCCC2)c1 ZINC000134341215 325354275 /nfs/dbraw/zinc/35/42/75/325354275.db2.gz KPJYTTSEJYHXJR-LLVKDONJSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)cn2)s1 ZINC000134393692 325357061 /nfs/dbraw/zinc/35/70/61/325357061.db2.gz RFROMULABGMBIB-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)cn2)s1 ZINC000134393717 325356931 /nfs/dbraw/zinc/35/69/31/325356931.db2.gz RFROMULABGMBIB-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cc(N[C@@H](C)C2CC2)ccc1[NH+](C)C ZINC000134493018 591931441 /nfs/dbraw/zinc/93/14/41/591931441.db2.gz XUNJONAVONTNHD-NSHDSACASA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH2+][C@@H](C)C2CC2)ccc1N(C)C ZINC000134493018 591931438 /nfs/dbraw/zinc/93/14/38/591931438.db2.gz XUNJONAVONTNHD-NSHDSACASA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc(N[C@H](C)C2CC2)ccc1[NH+](C)C ZINC000134493041 591931803 /nfs/dbraw/zinc/93/18/03/591931803.db2.gz XUNJONAVONTNHD-LLVKDONJSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH2+][C@H](C)C2CC2)ccc1N(C)C ZINC000134493041 591931801 /nfs/dbraw/zinc/93/18/01/591931801.db2.gz XUNJONAVONTNHD-LLVKDONJSA-N 1 2 218.344 3.271 20 0 BGADLO C[C@H]([NH2+]c1ccc2c(c1)CCCO2)C1CC1 ZINC000134498797 591931428 /nfs/dbraw/zinc/93/14/28/591931428.db2.gz KLWDSXMENGFNEO-JTQLQIEISA-N 1 2 217.312 3.222 20 0 BGADLO C[C@@H]([NH2+]c1ccc2c(c1)CCCO2)C1CC1 ZINC000134498815 591931573 /nfs/dbraw/zinc/93/15/73/591931573.db2.gz KLWDSXMENGFNEO-SNVBAGLBSA-N 1 2 217.312 3.222 20 0 BGADLO CC(C)[C@@H](C)[NH2+]c1ccc2c(c1)CCCO2 ZINC000134498945 591931503 /nfs/dbraw/zinc/93/15/03/591931503.db2.gz BLIBCIIOCVDSEL-LLVKDONJSA-N 1 2 219.328 3.468 20 0 BGADLO CC(C)[C@H](C)[NH2+]c1ccc2c(c1)CCCO2 ZINC000134498964 591931825 /nfs/dbraw/zinc/93/18/25/591931825.db2.gz BLIBCIIOCVDSEL-NSHDSACASA-N 1 2 219.328 3.468 20 0 BGADLO c1cc(CNc2ccc3ccccc3[nH+]2)co1 ZINC000134508617 325362248 /nfs/dbraw/zinc/36/22/48/325362248.db2.gz DCZMXDFUFQZQNQ-UHFFFAOYSA-N 1 2 224.263 3.440 20 0 BGADLO c1c[nH+]c(CNc2csc3ccccc23)[nH]1 ZINC000134538605 358794731 /nfs/dbraw/zinc/79/47/31/358794731.db2.gz ZOXNSYUNDUEBOO-UHFFFAOYSA-N 1 2 229.308 3.237 20 0 BGADLO C[C@H](Sc1[nH+]cc2ccccn21)C(F)(F)F ZINC000134583925 541358475 /nfs/dbraw/zinc/35/84/75/541358475.db2.gz LWFHNTYQUMJYCU-ZETCQYMHSA-N 1 2 246.257 3.377 20 0 BGADLO C[C@@H](Sc1[nH+]cc2ccccn21)C(F)(F)F ZINC000134583943 491094334 /nfs/dbraw/zinc/09/43/34/491094334.db2.gz LWFHNTYQUMJYCU-SSDOTTSWSA-N 1 2 246.257 3.377 20 0 BGADLO CC(C)[NH2+][C@@H](CC(C)(C)C)C(F)(F)F ZINC000134616683 325367865 /nfs/dbraw/zinc/36/78/65/325367865.db2.gz SKHSZCZTSQJDTC-QMMMGPOBSA-N 1 2 211.271 3.352 20 0 BGADLO CC(C)[NH2+][C@H](CC(C)(C)C)C(F)(F)F ZINC000134616703 325367858 /nfs/dbraw/zinc/36/78/58/325367858.db2.gz SKHSZCZTSQJDTC-MRVPVSSYSA-N 1 2 211.271 3.352 20 0 BGADLO Cc1cc(NC[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000134624997 358799713 /nfs/dbraw/zinc/79/97/13/358799713.db2.gz QQECUHZXUAXPGR-LLVKDONJSA-N 1 2 227.311 3.001 20 0 BGADLO Cc1cc(NC[C@H](C)c2ccccc2)nc[nH+]1 ZINC000134625017 358799694 /nfs/dbraw/zinc/79/96/94/358799694.db2.gz QQECUHZXUAXPGR-NSHDSACASA-N 1 2 227.311 3.001 20 0 BGADLO CCc1cc(NC[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000134649805 342874740 /nfs/dbraw/zinc/87/47/40/342874740.db2.gz LPGNZEPYSMVZLY-GFCCVEGCSA-N 1 2 241.338 3.255 20 0 BGADLO CCc1cc(NC[C@H](C)c2ccccc2)nc[nH+]1 ZINC000134649821 342874761 /nfs/dbraw/zinc/87/47/61/342874761.db2.gz LPGNZEPYSMVZLY-LBPRGKRZSA-N 1 2 241.338 3.255 20 0 BGADLO Cc1cc2[nH+]cn(CC3CCOCC3)c2cc1C ZINC000134762980 178304703 /nfs/dbraw/zinc/30/47/03/178304703.db2.gz DNIQYOMZGQUSSS-UHFFFAOYSA-N 1 2 244.338 3.080 20 0 BGADLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccco1 ZINC000134772707 325375933 /nfs/dbraw/zinc/37/59/33/325375933.db2.gz AZPTUDZAYVBNJR-JTQLQIEISA-N 1 2 249.285 3.278 20 0 BGADLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccco1 ZINC000134772727 325376274 /nfs/dbraw/zinc/37/62/74/325376274.db2.gz AZPTUDZAYVBNJR-SNVBAGLBSA-N 1 2 249.285 3.278 20 0 BGADLO Cc1nc(NC[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000134776786 180200997 /nfs/dbraw/zinc/20/09/97/180200997.db2.gz WBTWRJHNCLNUBJ-LLVKDONJSA-N 1 2 227.311 3.001 20 0 BGADLO Cc1nc(NC[C@H](C)c2ccccc2)cc[nH+]1 ZINC000134776806 180201247 /nfs/dbraw/zinc/20/12/47/180201247.db2.gz WBTWRJHNCLNUBJ-NSHDSACASA-N 1 2 227.311 3.001 20 0 BGADLO CC(C)c1cnc(C[NH2+]Cc2ccco2)s1 ZINC000134840442 325378745 /nfs/dbraw/zinc/37/87/45/325378745.db2.gz JBZFINHQDNBWOO-UHFFFAOYSA-N 1 2 236.340 3.149 20 0 BGADLO CC(C)c1cnc(C[NH2+]Cc2ccoc2)s1 ZINC000134843678 323025836 /nfs/dbraw/zinc/02/58/36/323025836.db2.gz ZICJPMXIPYIHEQ-UHFFFAOYSA-N 1 2 236.340 3.149 20 0 BGADLO CCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000134891093 325381291 /nfs/dbraw/zinc/38/12/91/325381291.db2.gz HSEYMQGUGAQWPH-UHFFFAOYSA-N 1 2 229.327 3.189 20 0 BGADLO CC[N@@H+](Cc1nccs1)Cc1ccccc1 ZINC000134953765 345427369 /nfs/dbraw/zinc/42/73/69/345427369.db2.gz NSTWJJFMIPOQLF-UHFFFAOYSA-N 1 2 232.352 3.165 20 0 BGADLO CC[N@H+](Cc1nccs1)Cc1ccccc1 ZINC000134953765 345427367 /nfs/dbraw/zinc/42/73/67/345427367.db2.gz NSTWJJFMIPOQLF-UHFFFAOYSA-N 1 2 232.352 3.165 20 0 BGADLO CC[N@@H+](Cc1cccs1)Cc1nccs1 ZINC000134955014 345427335 /nfs/dbraw/zinc/42/73/35/345427335.db2.gz CFBKBFPCWIJBHL-UHFFFAOYSA-N 1 2 238.381 3.227 20 0 BGADLO CC[N@H+](Cc1cccs1)Cc1nccs1 ZINC000134955014 345427332 /nfs/dbraw/zinc/42/73/32/345427332.db2.gz CFBKBFPCWIJBHL-UHFFFAOYSA-N 1 2 238.381 3.227 20 0 BGADLO c1ccc2c(c1)CN(c1[nH]c3ccccc3[nH+]1)C2 ZINC000134961190 325384363 /nfs/dbraw/zinc/38/43/63/325384363.db2.gz XKZHQZSANLCKKU-UHFFFAOYSA-N 1 2 235.290 3.083 20 0 BGADLO CC1(C)CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000134980190 353529129 /nfs/dbraw/zinc/52/91/29/353529129.db2.gz RSSIMRAVJZVEGJ-UHFFFAOYSA-N 1 2 229.327 3.189 20 0 BGADLO C[C@@H](c1cccs1)[N@@H+](C)Cc1nccs1 ZINC000134992837 176032938 /nfs/dbraw/zinc/03/29/38/176032938.db2.gz JRVKYGGKLKTUMT-VIFPVBQESA-N 1 2 238.381 3.398 20 0 BGADLO C[C@@H](c1cccs1)[N@H+](C)Cc1nccs1 ZINC000134992837 176032936 /nfs/dbraw/zinc/03/29/36/176032936.db2.gz JRVKYGGKLKTUMT-VIFPVBQESA-N 1 2 238.381 3.398 20 0 BGADLO C[C@H](c1cccs1)[N@@H+](C)Cc1nccs1 ZINC000134992855 177049363 /nfs/dbraw/zinc/04/93/63/177049363.db2.gz JRVKYGGKLKTUMT-SECBINFHSA-N 1 2 238.381 3.398 20 0 BGADLO C[C@H](c1cccs1)[N@H+](C)Cc1nccs1 ZINC000134992855 177049361 /nfs/dbraw/zinc/04/93/61/177049361.db2.gz JRVKYGGKLKTUMT-SECBINFHSA-N 1 2 238.381 3.398 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2nccs2)s1 ZINC000135036540 384409049 /nfs/dbraw/zinc/40/90/49/384409049.db2.gz HGGLNOAGLOPUGD-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2nccs2)s1 ZINC000135036540 384409040 /nfs/dbraw/zinc/40/90/40/384409040.db2.gz HGGLNOAGLOPUGD-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1nccs1 ZINC000135059509 384409693 /nfs/dbraw/zinc/40/96/93/384409693.db2.gz XEUFWKROCLVBCZ-LLVKDONJSA-N 1 2 244.363 3.262 20 0 BGADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1nccs1 ZINC000135059509 384409691 /nfs/dbraw/zinc/40/96/91/384409691.db2.gz XEUFWKROCLVBCZ-LLVKDONJSA-N 1 2 244.363 3.262 20 0 BGADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1nccs1 ZINC000135059527 384409560 /nfs/dbraw/zinc/40/95/60/384409560.db2.gz XEUFWKROCLVBCZ-NSHDSACASA-N 1 2 244.363 3.262 20 0 BGADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1nccs1 ZINC000135059527 384409556 /nfs/dbraw/zinc/40/95/56/384409556.db2.gz XEUFWKROCLVBCZ-NSHDSACASA-N 1 2 244.363 3.262 20 0 BGADLO CCOCCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000135118056 358821464 /nfs/dbraw/zinc/82/14/64/358821464.db2.gz RDKNPYBYGRHULC-UHFFFAOYSA-N 1 2 232.327 3.080 20 0 BGADLO CSCCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000135118076 384413751 /nfs/dbraw/zinc/41/37/51/384413751.db2.gz JKFFMVKMHGUTGO-UHFFFAOYSA-N 1 2 234.368 3.406 20 0 BGADLO CSCCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000135118726 325393940 /nfs/dbraw/zinc/39/39/40/325393940.db2.gz UOXUJPLLEGKUQU-UHFFFAOYSA-N 1 2 242.294 3.068 20 0 BGADLO CCCC[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)OC ZINC000135122446 325395927 /nfs/dbraw/zinc/39/59/27/325395927.db2.gz XQIOYZROIQWBII-JSGCOSHPSA-N 1 2 249.354 3.069 20 0 BGADLO CCCC[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)OC ZINC000135122466 325395986 /nfs/dbraw/zinc/39/59/86/325395986.db2.gz XQIOYZROIQWBII-GXTWGEPZSA-N 1 2 249.354 3.069 20 0 BGADLO CCCC[C@H]([NH2+][C@H](C)c1ccccc1)C(=O)OC ZINC000135122482 325396128 /nfs/dbraw/zinc/39/61/28/325396128.db2.gz XQIOYZROIQWBII-OCCSQVGLSA-N 1 2 249.354 3.069 20 0 BGADLO CCCC[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)OC ZINC000135122499 325395955 /nfs/dbraw/zinc/39/59/55/325395955.db2.gz XQIOYZROIQWBII-TZMCWYRMSA-N 1 2 249.354 3.069 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2nccs2)[C@@H]1c1ccccc1 ZINC000135124318 176312612 /nfs/dbraw/zinc/31/26/12/176312612.db2.gz FOHOBPPPVFXEQI-RISCZKNCSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@@H]1C[N@H+](Cc2nccs2)[C@@H]1c1ccccc1 ZINC000135124318 176312611 /nfs/dbraw/zinc/31/26/11/176312611.db2.gz FOHOBPPPVFXEQI-RISCZKNCSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@H]1C[N@@H+](Cc2nccs2)[C@@H]1c1ccccc1 ZINC000135124339 177272168 /nfs/dbraw/zinc/27/21/68/177272168.db2.gz FOHOBPPPVFXEQI-FZMZJTMJSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@H]1C[N@H+](Cc2nccs2)[C@@H]1c1ccccc1 ZINC000135124339 177272167 /nfs/dbraw/zinc/27/21/67/177272167.db2.gz FOHOBPPPVFXEQI-FZMZJTMJSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1nccs1 ZINC000135188464 176019368 /nfs/dbraw/zinc/01/93/68/176019368.db2.gz GIYUEVMFYBAFRR-JTQLQIEISA-N 1 2 248.351 3.042 20 0 BGADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1nccs1 ZINC000135188464 176019367 /nfs/dbraw/zinc/01/93/67/176019367.db2.gz GIYUEVMFYBAFRR-JTQLQIEISA-N 1 2 248.351 3.042 20 0 BGADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1nccs1 ZINC000135188485 177037333 /nfs/dbraw/zinc/03/73/33/177037333.db2.gz GIYUEVMFYBAFRR-SNVBAGLBSA-N 1 2 248.351 3.042 20 0 BGADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1nccs1 ZINC000135188485 177037331 /nfs/dbraw/zinc/03/73/31/177037331.db2.gz GIYUEVMFYBAFRR-SNVBAGLBSA-N 1 2 248.351 3.042 20 0 BGADLO C[C@@H](c1ccco1)[N@@H+](Cc1nccs1)C1CC1 ZINC000135210424 176032818 /nfs/dbraw/zinc/03/28/18/176032818.db2.gz SUHACNJRWIWVFX-JTQLQIEISA-N 1 2 248.351 3.462 20 0 BGADLO C[C@@H](c1ccco1)[N@H+](Cc1nccs1)C1CC1 ZINC000135210424 176032817 /nfs/dbraw/zinc/03/28/17/176032817.db2.gz SUHACNJRWIWVFX-JTQLQIEISA-N 1 2 248.351 3.462 20 0 BGADLO C[C@H](c1ccco1)[N@@H+](Cc1nccs1)C1CC1 ZINC000135210442 177048454 /nfs/dbraw/zinc/04/84/54/177048454.db2.gz SUHACNJRWIWVFX-SNVBAGLBSA-N 1 2 248.351 3.462 20 0 BGADLO C[C@H](c1ccco1)[N@H+](Cc1nccs1)C1CC1 ZINC000135210442 177048453 /nfs/dbraw/zinc/04/84/53/177048453.db2.gz SUHACNJRWIWVFX-SNVBAGLBSA-N 1 2 248.351 3.462 20 0 BGADLO COC(C)(C)CNc1ccc2ccccc2[nH+]1 ZINC000135261582 386498974 /nfs/dbraw/zinc/49/89/74/386498974.db2.gz JCRDNASSNYPNEU-UHFFFAOYSA-N 1 2 230.311 3.072 20 0 BGADLO CC(C)[N@@H+](CCOc1ccccc1)CC(F)F ZINC000135381385 358834877 /nfs/dbraw/zinc/83/48/77/358834877.db2.gz YQZDCCPUEHFKFL-UHFFFAOYSA-N 1 2 243.297 3.041 20 0 BGADLO CC(C)[N@H+](CCOc1ccccc1)CC(F)F ZINC000135381385 358834873 /nfs/dbraw/zinc/83/48/73/358834873.db2.gz YQZDCCPUEHFKFL-UHFFFAOYSA-N 1 2 243.297 3.041 20 0 BGADLO CC(C)CCOCC[N@@H+](CC(F)F)C(C)C ZINC000135382618 358834299 /nfs/dbraw/zinc/83/42/99/358834299.db2.gz MNNOFZKPNULLQK-UHFFFAOYSA-N 1 2 237.334 3.025 20 0 BGADLO CC(C)CCOCC[N@H+](CC(F)F)C(C)C ZINC000135382618 358834295 /nfs/dbraw/zinc/83/42/95/358834295.db2.gz MNNOFZKPNULLQK-UHFFFAOYSA-N 1 2 237.334 3.025 20 0 BGADLO Cc1ccncc1CNc1ccc([NH+](C)C)cc1 ZINC000135438359 384443614 /nfs/dbraw/zinc/44/36/14/384443614.db2.gz DRZSSVNMAASRTI-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO Cc1ccc(NCc2cnccc2C)c(C)[nH+]1 ZINC000135466183 384448235 /nfs/dbraw/zinc/44/82/35/384448235.db2.gz KIYKJWMPVJNHOY-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO CCOc1cccc(CCNc2cccc[nH+]2)c1 ZINC000135546505 411187276 /nfs/dbraw/zinc/18/72/76/411187276.db2.gz DOIAETOFRHTRBK-UHFFFAOYSA-N 1 2 242.322 3.135 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)s1 ZINC000135593248 384453096 /nfs/dbraw/zinc/45/30/96/384453096.db2.gz UCYRZVKKSYYXKG-WDEREUQCSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccccn2)s1 ZINC000135593265 384453922 /nfs/dbraw/zinc/45/39/22/384453922.db2.gz UCYRZVKKSYYXKG-QWRGUYRKSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccccn2)s1 ZINC000135593281 384452717 /nfs/dbraw/zinc/45/27/17/384452717.db2.gz UCYRZVKKSYYXKG-GHMZBOCLSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccccn2)s1 ZINC000135593299 384453360 /nfs/dbraw/zinc/45/33/60/384453360.db2.gz UCYRZVKKSYYXKG-MNOVXSKESA-N 1 2 247.367 3.258 20 0 BGADLO CCCOc1ccc([NH2+]CCCCOC)cc1 ZINC000135634757 169320049 /nfs/dbraw/zinc/32/00/49/169320049.db2.gz FFXGWDZYQAQGMG-UHFFFAOYSA-N 1 2 237.343 3.314 20 0 BGADLO FC(F)(F)c1cc[nH+]c(NCc2ccoc2)c1 ZINC000135814224 358852269 /nfs/dbraw/zinc/85/22/69/358852269.db2.gz SNMAIUKJYBNKFU-UHFFFAOYSA-N 1 2 242.200 3.306 20 0 BGADLO CC(C)CSCc1cn2ccccc2[nH+]1 ZINC000135990598 388518103 /nfs/dbraw/zinc/51/81/03/388518103.db2.gz MNDHFIZRIWUVRE-UHFFFAOYSA-N 1 2 220.341 3.224 20 0 BGADLO Cc1cnc([C@H](C)[NH2+]Cc2ncccc2C)s1 ZINC000136279367 384487509 /nfs/dbraw/zinc/48/75/09/384487509.db2.gz AOOFVGJTMKCNAV-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+]Cc2ncccc2C)s1 ZINC000136279403 384487113 /nfs/dbraw/zinc/48/71/13/384487113.db2.gz AOOFVGJTMKCNAV-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO C[C@H]([NH2+]CC(F)F)c1ccc2c(c1)CCCC2 ZINC000136572785 491061242 /nfs/dbraw/zinc/06/12/42/491061242.db2.gz MHZFORUVSKLXLE-JTQLQIEISA-N 1 2 239.309 3.481 20 0 BGADLO C[C@@H]([NH2+]CC(F)F)c1ccc2c(c1)CCCC2 ZINC000136572828 491061251 /nfs/dbraw/zinc/06/12/51/491061251.db2.gz MHZFORUVSKLXLE-SNVBAGLBSA-N 1 2 239.309 3.481 20 0 BGADLO CCc1oc2ccccc2c1C[NH2+]CC(F)F ZINC000136575504 358881772 /nfs/dbraw/zinc/88/17/72/358881772.db2.gz JTZHYHVBEKVFHO-UHFFFAOYSA-N 1 2 239.265 3.350 20 0 BGADLO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(F)F)cc1 ZINC000136580893 491061221 /nfs/dbraw/zinc/06/12/21/491061221.db2.gz QOUMMIKUIMCESZ-SNVBAGLBSA-N 1 2 243.297 3.390 20 0 BGADLO CC(C)Oc1ccc([C@H](C)[NH2+]CC(F)F)cc1 ZINC000136580930 491133031 /nfs/dbraw/zinc/13/30/31/491133031.db2.gz QOUMMIKUIMCESZ-JTQLQIEISA-N 1 2 243.297 3.390 20 0 BGADLO CCC[N@@H+](CCc1ccccc1F)CC(F)F ZINC000137582718 388563485 /nfs/dbraw/zinc/56/34/85/388563485.db2.gz DJFWMAAZRLGELY-UHFFFAOYSA-N 1 2 245.288 3.345 20 0 BGADLO CCC[N@H+](CCc1ccccc1F)CC(F)F ZINC000137582718 388563483 /nfs/dbraw/zinc/56/34/83/388563483.db2.gz DJFWMAAZRLGELY-UHFFFAOYSA-N 1 2 245.288 3.345 20 0 BGADLO C[C@H]([NH2+]Cc1cc2ccccc2o1)c1ncc[nH]1 ZINC000138907900 345788606 /nfs/dbraw/zinc/78/86/06/345788606.db2.gz XRHJCRYJKVCJBJ-JTQLQIEISA-N 1 2 241.294 3.007 20 0 BGADLO C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ncc[nH]1 ZINC000138908014 345788566 /nfs/dbraw/zinc/78/85/66/345788566.db2.gz XRHJCRYJKVCJBJ-SNVBAGLBSA-N 1 2 241.294 3.007 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ncc[nH]1 ZINC000138918448 491129645 /nfs/dbraw/zinc/12/96/45/491129645.db2.gz ZOQMXZIXBTZGGT-UWVGGRQHSA-N 1 2 249.745 3.475 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccccc1Cl ZINC000138918543 491129628 /nfs/dbraw/zinc/12/96/28/491129628.db2.gz ZOQMXZIXBTZGGT-ZJUUUORDSA-N 1 2 249.745 3.475 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ncc[nH]1 ZINC000138918664 491129665 /nfs/dbraw/zinc/12/96/65/491129665.db2.gz ZOQMXZIXBTZGGT-VHSXEESVSA-N 1 2 249.745 3.475 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ncc[nH]1 ZINC000138918769 491129639 /nfs/dbraw/zinc/12/96/39/491129639.db2.gz ZOQMXZIXBTZGGT-NXEZZACHSA-N 1 2 249.745 3.475 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccccc1F ZINC000138993136 592331464 /nfs/dbraw/zinc/33/14/64/592331464.db2.gz PSZOYLMUSVTSGY-GWCFXTLKSA-N 1 2 247.317 3.351 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccccc1F ZINC000138993239 592330899 /nfs/dbraw/zinc/33/08/99/592330899.db2.gz PSZOYLMUSVTSGY-GXFFZTMASA-N 1 2 247.317 3.351 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1ncc[nH]1)c1ccccc1F ZINC000138993331 592331044 /nfs/dbraw/zinc/33/10/44/592331044.db2.gz PSZOYLMUSVTSGY-MFKMUULPSA-N 1 2 247.317 3.351 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1ncc[nH]1)c1ccccc1F ZINC000138993431 592331374 /nfs/dbraw/zinc/33/13/74/592331374.db2.gz PSZOYLMUSVTSGY-ZWNOBZJWSA-N 1 2 247.317 3.351 20 0 BGADLO CC[C@H](Nc1nc2ccccc2o1)c1[nH]cc[nH+]1 ZINC000139827843 358915227 /nfs/dbraw/zinc/91/52/27/358915227.db2.gz NVTYUWGRNIIUHC-VIFPVBQESA-N 1 2 242.282 3.114 20 0 BGADLO CC[C@@H](Nc1nc2ccccc2o1)c1[nH]cc[nH+]1 ZINC000139827984 345803539 /nfs/dbraw/zinc/80/35/39/345803539.db2.gz NVTYUWGRNIIUHC-SECBINFHSA-N 1 2 242.282 3.114 20 0 BGADLO C[C@@H](Nc1nc2ccccc2s1)c1[nH]cc[nH+]1 ZINC000139862874 491123597 /nfs/dbraw/zinc/12/35/97/491123597.db2.gz OMUFXHZUOPXGDR-MRVPVSSYSA-N 1 2 244.323 3.193 20 0 BGADLO c1cc2c(nc[nH+]c2SC2CCCCC2)[nH]1 ZINC000140804919 345696875 /nfs/dbraw/zinc/69/68/75/345696875.db2.gz LDEBZSMHHJYQIC-UHFFFAOYSA-N 1 2 233.340 3.383 20 0 BGADLO CCC(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000142508196 345705279 /nfs/dbraw/zinc/70/52/79/345705279.db2.gz WSXIHIAZXMFNDT-UHFFFAOYSA-N 1 2 243.310 3.042 20 0 BGADLO COc1ccc2c(c1)[nH+]ccc2OCC(C)C ZINC000142624030 345700878 /nfs/dbraw/zinc/70/08/78/345700878.db2.gz RWGKNXDXRPBEGV-UHFFFAOYSA-N 1 2 231.295 3.278 20 0 BGADLO Fc1ccc(-c2cn3c([nH+]2)CCCC3)c(F)c1 ZINC000142888444 345864637 /nfs/dbraw/zinc/86/46/37/345864637.db2.gz QMRKQLRGHRPWLG-UHFFFAOYSA-N 1 2 234.249 3.165 20 0 BGADLO Cc1cc(C)cc(C[N@@H+](C)Cc2cscn2)c1 ZINC000143255559 345896957 /nfs/dbraw/zinc/89/69/57/345896957.db2.gz PPTUULFXZVYMCD-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cc(C)cc(C[N@H+](C)Cc2cscn2)c1 ZINC000143255559 345896955 /nfs/dbraw/zinc/89/69/55/345896955.db2.gz PPTUULFXZVYMCD-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cc(COc2cc[nH+]cc2)c(C)s1 ZINC000145098855 345930102 /nfs/dbraw/zinc/93/01/02/345930102.db2.gz OFWMHWBULJICEW-UHFFFAOYSA-N 1 2 219.309 3.339 20 0 BGADLO COc1ccc(NCc2ccc(C)cc2)[nH+]c1 ZINC000146023233 345234102 /nfs/dbraw/zinc/23/41/02/345234102.db2.gz AWUVZOPZDVEJHE-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO FC(F)C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000147266349 384287944 /nfs/dbraw/zinc/28/79/44/384287944.db2.gz KAZFTLIDCCZHES-UHFFFAOYSA-N 1 2 240.080 3.348 20 0 BGADLO CCOc1ccccc1[C@@H](C)[NH2+]CC(F)F ZINC000147267746 538114848 /nfs/dbraw/zinc/11/48/48/538114848.db2.gz YTDVNMILCKOSJZ-SECBINFHSA-N 1 2 229.270 3.001 20 0 BGADLO CCOc1ccccc1[C@H](C)[NH2+]CC(F)F ZINC000147267934 538114833 /nfs/dbraw/zinc/11/48/33/538114833.db2.gz YTDVNMILCKOSJZ-VIFPVBQESA-N 1 2 229.270 3.001 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]CC(F)F)cc1C ZINC000147270769 541364570 /nfs/dbraw/zinc/36/45/70/541364570.db2.gz XSFHYTNTYYRZTF-SNVBAGLBSA-N 1 2 213.271 3.219 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]CC(F)F)cc1C ZINC000147270977 541364401 /nfs/dbraw/zinc/36/44/01/541364401.db2.gz XSFHYTNTYYRZTF-JTQLQIEISA-N 1 2 213.271 3.219 20 0 BGADLO C[C@H]([NH2+]CC(F)F)c1ccc(F)c(Cl)c1 ZINC000147285422 538115915 /nfs/dbraw/zinc/11/59/15/538115915.db2.gz UBWIGXCZRQQEKK-LURJTMIESA-N 1 2 237.652 3.395 20 0 BGADLO C[C@@H]([NH2+]CC(F)F)c1ccc(F)c(Cl)c1 ZINC000147285613 538115952 /nfs/dbraw/zinc/11/59/52/538115952.db2.gz UBWIGXCZRQQEKK-ZCFIWIBFSA-N 1 2 237.652 3.395 20 0 BGADLO C[C@H]([NH2+]CC(F)F)c1cc2ccccc2o1 ZINC000147286705 384834101 /nfs/dbraw/zinc/83/41/01/384834101.db2.gz IIGYOPYJFSDJHJ-QMMMGPOBSA-N 1 2 225.238 3.349 20 0 BGADLO C[C@@H]([NH2+]CC(F)F)c1cc2ccccc2o1 ZINC000147286917 384833846 /nfs/dbraw/zinc/83/38/46/384833846.db2.gz IIGYOPYJFSDJHJ-MRVPVSSYSA-N 1 2 225.238 3.349 20 0 BGADLO FC(F)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000147289085 541365914 /nfs/dbraw/zinc/36/59/14/541365914.db2.gz RDLNJPOELJPYIK-SNVBAGLBSA-N 1 2 217.284 3.054 20 0 BGADLO FC(F)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000147289278 541365626 /nfs/dbraw/zinc/36/56/26/541365626.db2.gz RDLNJPOELJPYIK-JTQLQIEISA-N 1 2 217.284 3.054 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]CC(F)F)c(C)c1 ZINC000147321492 538117197 /nfs/dbraw/zinc/11/71/97/538117197.db2.gz DCWMUZDPYGDDBQ-SNVBAGLBSA-N 1 2 213.271 3.219 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]CC(F)F)c(C)c1 ZINC000147321695 538117200 /nfs/dbraw/zinc/11/72/00/538117200.db2.gz DCWMUZDPYGDDBQ-JTQLQIEISA-N 1 2 213.271 3.219 20 0 BGADLO CC(C)(C)c1ccc(C[NH2+]CC(F)F)cc1 ZINC000147345077 191105699 /nfs/dbraw/zinc/10/56/99/191105699.db2.gz VVWSVQMVAIQJLJ-UHFFFAOYSA-N 1 2 227.298 3.339 20 0 BGADLO CCOc1ccc([C@@H](C)[NH2+]CC(F)F)cc1 ZINC000147350417 538117783 /nfs/dbraw/zinc/11/77/83/538117783.db2.gz BLENWNMABXQRML-SECBINFHSA-N 1 2 229.270 3.001 20 0 BGADLO CCOc1ccc([C@H](C)[NH2+]CC(F)F)cc1 ZINC000147350630 538117781 /nfs/dbraw/zinc/11/77/81/538117781.db2.gz BLENWNMABXQRML-VIFPVBQESA-N 1 2 229.270 3.001 20 0 BGADLO FC(F)C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000147357529 384291333 /nfs/dbraw/zinc/29/13/33/384291333.db2.gz SLDAMPNRJMGTAV-UHFFFAOYSA-N 1 2 240.080 3.348 20 0 BGADLO CC(C)(C)c1ccc(C[NH2+]CC(F)F)s1 ZINC000147366492 191106522 /nfs/dbraw/zinc/10/65/22/191106522.db2.gz SKWMYKLJNRITQA-UHFFFAOYSA-N 1 2 233.327 3.400 20 0 BGADLO CCC[C@H]([NH2+]CC(F)F)c1ccccc1 ZINC000147368301 541369501 /nfs/dbraw/zinc/36/95/01/541369501.db2.gz YZWPYSANQLAOEL-NSHDSACASA-N 1 2 213.271 3.383 20 0 BGADLO CCC[C@@H]([NH2+]CC(F)F)c1ccccc1 ZINC000147368466 541369545 /nfs/dbraw/zinc/36/95/45/541369545.db2.gz YZWPYSANQLAOEL-LLVKDONJSA-N 1 2 213.271 3.383 20 0 BGADLO FC(F)C[NH2+]Cc1csc2ccccc12 ZINC000147372556 384838456 /nfs/dbraw/zinc/83/84/56/384838456.db2.gz WKPPPUVKBSCJEV-UHFFFAOYSA-N 1 2 227.279 3.256 20 0 BGADLO FC(F)C[NH2+]Cc1ccc2ccccc2c1 ZINC000147393471 384452771 /nfs/dbraw/zinc/45/27/71/384452771.db2.gz JSYZUMYGVXJLCK-UHFFFAOYSA-N 1 2 221.250 3.195 20 0 BGADLO CSc1ccc([C@H](C)[NH2+]CC(F)F)cc1 ZINC000147395166 537844241 /nfs/dbraw/zinc/84/42/41/537844241.db2.gz SJKSBGZPFXRCIQ-QMMMGPOBSA-N 1 2 231.311 3.324 20 0 BGADLO CSc1ccc([C@@H](C)[NH2+]CC(F)F)cc1 ZINC000147395382 632485881 /nfs/dbraw/zinc/48/58/81/632485881.db2.gz SJKSBGZPFXRCIQ-MRVPVSSYSA-N 1 2 231.311 3.324 20 0 BGADLO CC(C)Cc1ccc(C[NH2+]CC(F)F)cc1 ZINC000147396705 384454033 /nfs/dbraw/zinc/45/40/33/384454033.db2.gz WTFPWHVDACJADX-UHFFFAOYSA-N 1 2 227.298 3.240 20 0 BGADLO CC[C@H]([NH2+]CC(F)F)c1ccc(OC)cc1 ZINC000147422982 538110685 /nfs/dbraw/zinc/11/06/85/538110685.db2.gz AJDDDEXHUONQLJ-NSHDSACASA-N 1 2 229.270 3.001 20 0 BGADLO CC[C@@H]([NH2+]CC(F)F)c1ccc(OC)cc1 ZINC000147423171 537856247 /nfs/dbraw/zinc/85/62/47/537856247.db2.gz AJDDDEXHUONQLJ-LLVKDONJSA-N 1 2 229.270 3.001 20 0 BGADLO CC[C@H]([NH2+]CC(F)F)c1ccc(C)cc1 ZINC000147423427 537856325 /nfs/dbraw/zinc/85/63/25/537856325.db2.gz JVFREHNUEROPDR-NSHDSACASA-N 1 2 213.271 3.301 20 0 BGADLO CC[C@@H]([NH2+]CC(F)F)c1ccc(C)cc1 ZINC000147423666 537855902 /nfs/dbraw/zinc/85/59/02/537855902.db2.gz JVFREHNUEROPDR-LLVKDONJSA-N 1 2 213.271 3.301 20 0 BGADLO Cc1ccc(C[NH2+]CC(F)F)cc1Cl ZINC000147707583 188156982 /nfs/dbraw/zinc/15/69/82/188156982.db2.gz YNAWCYADIICQGV-UHFFFAOYSA-N 1 2 219.662 3.003 20 0 BGADLO FC(F)C[NH2+]Cc1cc2ccccc2s1 ZINC000147708483 384798433 /nfs/dbraw/zinc/79/84/33/384798433.db2.gz USPZOFRUVRSYIC-UHFFFAOYSA-N 1 2 227.279 3.256 20 0 BGADLO Cc1cc(Cl)cc(C[NH2+]CC(F)F)c1 ZINC000147731160 178064288 /nfs/dbraw/zinc/06/42/88/178064288.db2.gz ILVBOXUXENENGF-UHFFFAOYSA-N 1 2 219.662 3.003 20 0 BGADLO CC(C)Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000148372581 583921984 /nfs/dbraw/zinc/92/19/84/583921984.db2.gz WDSRIEPEKCPAAF-UHFFFAOYSA-N 1 2 214.312 3.130 20 0 BGADLO Cc1cc(C)cc([C@@H](C)[NH2+]CC(F)F)c1 ZINC000148383417 583302775 /nfs/dbraw/zinc/30/27/75/583302775.db2.gz XPFNIYJXSSZNAO-SNVBAGLBSA-N 1 2 213.271 3.219 20 0 BGADLO Cc1cc(C)cc([C@H](C)[NH2+]CC(F)F)c1 ZINC000148383609 583302610 /nfs/dbraw/zinc/30/26/10/583302610.db2.gz XPFNIYJXSSZNAO-JTQLQIEISA-N 1 2 213.271 3.219 20 0 BGADLO c1cn(CCCSc2ccccc2)c[nH+]1 ZINC000148402060 188156547 /nfs/dbraw/zinc/15/65/47/188156547.db2.gz PZNMJZHOUSHMST-UHFFFAOYSA-N 1 2 218.325 3.066 20 0 BGADLO CC(C)(C)c1cccc(Cn2cc[nH+]c2)c1 ZINC000148499046 488103019 /nfs/dbraw/zinc/10/30/19/488103019.db2.gz XFOUIONXDMGXIC-UHFFFAOYSA-N 1 2 214.312 3.229 20 0 BGADLO c1cc(C[NH2+][C@@H]2CCSc3ccccc32)no1 ZINC000148657848 537984161 /nfs/dbraw/zinc/98/41/61/537984161.db2.gz PSIYKJUTQDVSDD-GFCCVEGCSA-N 1 2 246.335 3.001 20 0 BGADLO c1cc(C[NH2+][C@H]2CCSc3ccccc32)no1 ZINC000148658039 537984677 /nfs/dbraw/zinc/98/46/77/537984677.db2.gz PSIYKJUTQDVSDD-LBPRGKRZSA-N 1 2 246.335 3.001 20 0 BGADLO CSc1ccc([C@H](C)[NH2+]Cc2ccon2)cc1 ZINC000148707012 490662727 /nfs/dbraw/zinc/66/27/27/490662727.db2.gz FUHOHWWLSTYEDC-JTQLQIEISA-N 1 2 248.351 3.247 20 0 BGADLO CSc1ccc([C@@H](C)[NH2+]Cc2ccon2)cc1 ZINC000148707242 187299244 /nfs/dbraw/zinc/29/92/44/187299244.db2.gz FUHOHWWLSTYEDC-SNVBAGLBSA-N 1 2 248.351 3.247 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NCc1ccon1 ZINC000148996825 178299133 /nfs/dbraw/zinc/29/91/33/178299133.db2.gz PSRCNSMLBDDBPX-UHFFFAOYSA-N 1 2 239.278 3.143 20 0 BGADLO Clc1ccc(/C=C/Cn2cc[nH+]c2)cc1 ZINC000149004389 385180216 /nfs/dbraw/zinc/18/02/16/385180216.db2.gz YZMUWDMUERKVJC-OWOJBTEDSA-N 1 2 218.687 3.250 20 0 BGADLO COc1cc(C)[nH+]c(COc2ccc(C)cc2)c1 ZINC000149354797 387651844 /nfs/dbraw/zinc/65/18/44/387651844.db2.gz OKBXGPCINYNSPD-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO COc1cc(C)[nH+]c(COc2ccc(F)cc2)c1 ZINC000149355015 384480107 /nfs/dbraw/zinc/48/01/07/384480107.db2.gz KZXHBVMEVGDTFV-UHFFFAOYSA-N 1 2 247.269 3.117 20 0 BGADLO COc1cc(C)[nH+]c(COc2cccc(F)c2)c1 ZINC000149355954 491122001 /nfs/dbraw/zinc/12/20/01/491122001.db2.gz RJJYYCIWJUJLRE-UHFFFAOYSA-N 1 2 247.269 3.117 20 0 BGADLO c1cnn(-c2ccc([NH2+]CC3CCC3)cc2)c1 ZINC000149465291 384476750 /nfs/dbraw/zinc/47/67/50/384476750.db2.gz MBMGTAWKLPBPOC-UHFFFAOYSA-N 1 2 227.311 3.084 20 0 BGADLO c1cc2cc(Nc3[nH+]cnc4[nH]ccc43)ccc2[nH]1 ZINC000149501162 345716104 /nfs/dbraw/zinc/71/61/04/345716104.db2.gz DLLZUNNKHQPKTL-UHFFFAOYSA-N 1 2 249.277 3.183 20 0 BGADLO CC(C)(C)c1ccc(C[NH2+]Cc2ccn[nH]2)s1 ZINC000149781159 384943292 /nfs/dbraw/zinc/94/32/92/384943292.db2.gz FRZODEAVQPMSSO-UHFFFAOYSA-N 1 2 249.383 3.059 20 0 BGADLO COCc1cccc(CNc2ccc(C)[nH+]c2)c1 ZINC000149809946 384947364 /nfs/dbraw/zinc/94/73/64/384947364.db2.gz IURRGOOSJVQSNC-UHFFFAOYSA-N 1 2 242.322 3.149 20 0 BGADLO CCc1ncc(CNc2ccc(C)[nH+]c2)s1 ZINC000149821867 384484341 /nfs/dbraw/zinc/48/43/41/384484341.db2.gz RIHGTRGXXGCUJE-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO Cc1ccc(NCc2ccc(Cl)o2)c[nH+]1 ZINC000149822476 387675497 /nfs/dbraw/zinc/67/54/97/387675497.db2.gz XCHRETQDYLSNRV-UHFFFAOYSA-N 1 2 222.675 3.249 20 0 BGADLO Cc1cc(N[C@@H]2CCCC(C)(C)C2)nc[nH+]1 ZINC000150072839 178181397 /nfs/dbraw/zinc/18/13/97/178181397.db2.gz LXBWRVFJTZSZIM-LLVKDONJSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1cc(N[C@H]2CCCC(C)(C)C2)nc[nH+]1 ZINC000150073065 178189152 /nfs/dbraw/zinc/18/91/52/178189152.db2.gz LXBWRVFJTZSZIM-NSHDSACASA-N 1 2 219.332 3.166 20 0 BGADLO Cc1nc(N[C@@H]2CCCC(C)(C)C2)cc[nH+]1 ZINC000150095084 180202575 /nfs/dbraw/zinc/20/25/75/180202575.db2.gz BAHGQAQWIFUHNE-LLVKDONJSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1nc(N[C@H]2CCCC(C)(C)C2)cc[nH+]1 ZINC000150095313 180206030 /nfs/dbraw/zinc/20/60/30/180206030.db2.gz BAHGQAQWIFUHNE-NSHDSACASA-N 1 2 219.332 3.166 20 0 BGADLO Cc1ccc(CNc2ccc(N(C)C)c[nH+]2)cc1 ZINC000150898036 323002069 /nfs/dbraw/zinc/00/20/69/323002069.db2.gz HUFDEWZLNZNNPO-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO Cc1ccccc1CNc1ccc(N(C)C)c[nH+]1 ZINC000150903806 323002359 /nfs/dbraw/zinc/00/23/59/323002359.db2.gz KRDKSHLFWBSYAO-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO Cc1ccsc1CNc1ccc(N(C)C)c[nH+]1 ZINC000150903991 384522713 /nfs/dbraw/zinc/52/27/13/384522713.db2.gz KAMKCFITPSTUGU-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO Cc1cccc(CNc2ccc(N(C)C)c[nH+]2)c1 ZINC000150905465 323002357 /nfs/dbraw/zinc/00/23/57/323002357.db2.gz MVXQICLGWPNROJ-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO Cc1ccc(CNc2ccc(N(C)C)c[nH+]2)s1 ZINC000150915635 323039637 /nfs/dbraw/zinc/03/96/37/323039637.db2.gz SFUUZIQVSSQRGA-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO Cc1cccc([C@@H]2CCCN2c2cccc[nH+]2)n1 ZINC000150935358 384527562 /nfs/dbraw/zinc/52/75/62/384527562.db2.gz FLLLXEKQUDEZKI-AWEZNQCLSA-N 1 2 239.322 3.127 20 0 BGADLO Cc1cccc([C@H]2CCCN2c2cccc[nH+]2)n1 ZINC000150935404 384527051 /nfs/dbraw/zinc/52/70/51/384527051.db2.gz FLLLXEKQUDEZKI-CQSZACIVSA-N 1 2 239.322 3.127 20 0 BGADLO CC(C)c1ccc(N(C)Cc2c[nH+]cn2C)cc1 ZINC000150964754 385078655 /nfs/dbraw/zinc/07/86/55/385078655.db2.gz MAXGBVCQBAXNOX-UHFFFAOYSA-N 1 2 243.354 3.180 20 0 BGADLO FCCC[N@H+](Cc1ccccc1)CC(F)F ZINC000151378022 385107091 /nfs/dbraw/zinc/10/70/91/385107091.db2.gz NNNLJLVIJQGZOC-UHFFFAOYSA-N 1 2 231.261 3.113 20 0 BGADLO FCCC[N@@H+](Cc1ccccc1)CC(F)F ZINC000151378022 385107088 /nfs/dbraw/zinc/10/70/88/385107088.db2.gz NNNLJLVIJQGZOC-UHFFFAOYSA-N 1 2 231.261 3.113 20 0 BGADLO C(c1noc(C2CCCCC2)n1)[NH+]1CCCCC1 ZINC000151427519 323016210 /nfs/dbraw/zinc/01/62/10/323016210.db2.gz NBKURSLQPXHNMR-UHFFFAOYSA-N 1 2 249.358 3.103 20 0 BGADLO CCSCc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000151556528 384592552 /nfs/dbraw/zinc/59/25/52/384592552.db2.gz BNXHRZSXIIBWAD-UHFFFAOYSA-N 1 2 247.367 3.275 20 0 BGADLO CCCC[C@@H](CC)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000151637594 384667111 /nfs/dbraw/zinc/66/71/11/384667111.db2.gz DOLHKMMFQULHSW-LLVKDONJSA-N 1 2 249.358 3.209 20 0 BGADLO CCCC[C@H](CC)CC(=O)Nc1ccc(N)[nH+]c1 ZINC000151637671 384668261 /nfs/dbraw/zinc/66/82/61/384668261.db2.gz DOLHKMMFQULHSW-NSHDSACASA-N 1 2 249.358 3.209 20 0 BGADLO Cc1cc(NCc2[nH]cc[nH+]2)ccc1OC(C)C ZINC000151880653 178176970 /nfs/dbraw/zinc/17/69/70/178176970.db2.gz XJXBVICITPXEHH-UHFFFAOYSA-N 1 2 245.326 3.117 20 0 BGADLO COc1ccc2[nH+]c(NCCSC)ccc2c1 ZINC000151996149 356673064 /nfs/dbraw/zinc/67/30/64/356673064.db2.gz KSCBCJRQBKMWFQ-UHFFFAOYSA-N 1 2 248.351 3.018 20 0 BGADLO C[C@H]([NH2+]Cc1ccco1)c1cccnc1Cl ZINC000152032322 385147809 /nfs/dbraw/zinc/14/78/09/385147809.db2.gz ZXEORQZNZLACMX-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO C[C@@H]([NH2+]Cc1ccco1)c1cccnc1Cl ZINC000152032401 385149429 /nfs/dbraw/zinc/14/94/29/385149429.db2.gz ZXEORQZNZLACMX-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO CCCCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000152158436 385157170 /nfs/dbraw/zinc/15/71/70/385157170.db2.gz DCYGCRRTHJPZPN-UHFFFAOYSA-N 1 2 235.331 3.010 20 0 BGADLO CCC1(CNC(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000152161515 384976922 /nfs/dbraw/zinc/97/69/22/384976922.db2.gz AHPNSDKDPJWSGY-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO Cc1ccc(NC(=O)N[C@H](C)C(C)(C)C)c(C)[nH+]1 ZINC000152169263 343513316 /nfs/dbraw/zinc/51/33/16/343513316.db2.gz DLNGGLYGFNHTPH-LLVKDONJSA-N 1 2 249.358 3.255 20 0 BGADLO CCC(CC)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152190368 168381740 /nfs/dbraw/zinc/38/17/40/168381740.db2.gz ZYGAAZZCHFIPHF-UHFFFAOYSA-N 1 2 235.331 3.009 20 0 BGADLO Cc1ccc(NC(=O)N2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000152201130 385161230 /nfs/dbraw/zinc/16/12/30/385161230.db2.gz MNVCOMQEPABZPH-NSHDSACASA-N 1 2 247.342 3.105 20 0 BGADLO Cc1ccc(NC(=O)N2CCCC[C@H]2C)c(C)[nH+]1 ZINC000152201193 385162370 /nfs/dbraw/zinc/16/23/70/385162370.db2.gz MNVCOMQEPABZPH-LLVKDONJSA-N 1 2 247.342 3.105 20 0 BGADLO CCC(CC)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000152218229 344492894 /nfs/dbraw/zinc/49/28/94/344492894.db2.gz GVWPIHKPPXTVEQ-UHFFFAOYSA-N 1 2 249.358 3.256 20 0 BGADLO CCCCN(CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000152238053 385166992 /nfs/dbraw/zinc/16/69/92/385166992.db2.gz RLOFNSWDODHFAL-UHFFFAOYSA-N 1 2 249.358 3.352 20 0 BGADLO CCCN(CCC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000152307542 169143602 /nfs/dbraw/zinc/14/36/02/169143602.db2.gz HRVTWQVWLVYYEZ-UHFFFAOYSA-N 1 2 249.358 3.352 20 0 BGADLO Cc1ccc(NC(=O)NCCCC2CC2)c(C)[nH+]1 ZINC000152320519 323174841 /nfs/dbraw/zinc/17/48/41/323174841.db2.gz KJKFYXZKNPZNNT-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO CCC[C@@H]1C[C@@H]1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152365239 385176188 /nfs/dbraw/zinc/17/61/88/385176188.db2.gz XMZZFRRAQOUJSI-YPMHNXCESA-N 1 2 247.342 3.009 20 0 BGADLO CCC[C@H]1C[C@@H]1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152365330 385177177 /nfs/dbraw/zinc/17/71/77/385177177.db2.gz XMZZFRRAQOUJSI-AAEUAGOBSA-N 1 2 247.342 3.009 20 0 BGADLO CCC[C@@H]1C[C@H]1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152365425 385176822 /nfs/dbraw/zinc/17/68/22/385176822.db2.gz XMZZFRRAQOUJSI-DGCLKSJQSA-N 1 2 247.342 3.009 20 0 BGADLO CCC[C@H]1C[C@H]1NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152365511 385177147 /nfs/dbraw/zinc/17/71/47/385177147.db2.gz XMZZFRRAQOUJSI-WCQYABFASA-N 1 2 247.342 3.009 20 0 BGADLO CCCC(C)(C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152388986 323180443 /nfs/dbraw/zinc/18/04/43/323180443.db2.gz RADPKWLUTAWXLG-UHFFFAOYSA-N 1 2 249.358 3.399 20 0 BGADLO CCC(C)(C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000152396540 168294550 /nfs/dbraw/zinc/29/45/50/168294550.db2.gz XSZUHFWNSPBPNL-UHFFFAOYSA-N 1 2 235.331 3.009 20 0 BGADLO CC[C@@H](C)CN(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000152418696 385179650 /nfs/dbraw/zinc/17/96/50/385179650.db2.gz WFCUFFOFLOPFCG-SNVBAGLBSA-N 1 2 249.358 3.208 20 0 BGADLO CC[C@H](C)CN(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000152418792 171270343 /nfs/dbraw/zinc/27/03/43/171270343.db2.gz WFCUFFOFLOPFCG-JTQLQIEISA-N 1 2 249.358 3.208 20 0 BGADLO Cc1ccc(NC(=O)Nc2ccccc2)c(C)[nH+]1 ZINC000152420177 323181702 /nfs/dbraw/zinc/18/17/02/323181702.db2.gz NFPDTXWLDZDNCL-UHFFFAOYSA-N 1 2 241.294 3.342 20 0 BGADLO CCc1ccc(CC)c(NCc2[nH]cc[nH+]2)c1 ZINC000152569182 344610681 /nfs/dbraw/zinc/61/06/81/344610681.db2.gz FMZWIWPYKCDDDN-UHFFFAOYSA-N 1 2 229.327 3.147 20 0 BGADLO CSCC[N@@H+](C)Cc1csc(C(C)C)n1 ZINC000152587080 344640959 /nfs/dbraw/zinc/64/09/59/344640959.db2.gz WFVUNZPNDVJRBC-UHFFFAOYSA-N 1 2 244.429 3.061 20 0 BGADLO CSCC[N@H+](C)Cc1csc(C(C)C)n1 ZINC000152587080 344640955 /nfs/dbraw/zinc/64/09/55/344640955.db2.gz WFVUNZPNDVJRBC-UHFFFAOYSA-N 1 2 244.429 3.061 20 0 BGADLO CC[C@](C)([NH2+]Cc1ccco1)c1nccs1 ZINC000152623467 385198860 /nfs/dbraw/zinc/19/88/60/385198860.db2.gz BNAVPVZFRDACCC-LBPRGKRZSA-N 1 2 236.340 3.151 20 0 BGADLO CC[C@@](C)([NH2+]Cc1ccco1)c1nccs1 ZINC000152623571 171175603 /nfs/dbraw/zinc/17/56/03/171175603.db2.gz BNAVPVZFRDACCC-GFCCVEGCSA-N 1 2 236.340 3.151 20 0 BGADLO CC[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000152801968 344697975 /nfs/dbraw/zinc/69/79/75/344697975.db2.gz MKJGXMQJJVLTQI-GFCCVEGCSA-N 1 2 233.359 3.145 20 0 BGADLO CC[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000152802062 344697904 /nfs/dbraw/zinc/69/79/04/344697904.db2.gz MKJGXMQJJVLTQI-LBPRGKRZSA-N 1 2 233.359 3.145 20 0 BGADLO CC[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000152818992 344697115 /nfs/dbraw/zinc/69/71/15/344697115.db2.gz HTSZIYGQWGAFMR-SECBINFHSA-N 1 2 244.260 3.337 20 0 BGADLO CC[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000152819090 344697239 /nfs/dbraw/zinc/69/72/39/344697239.db2.gz HTSZIYGQWGAFMR-VIFPVBQESA-N 1 2 244.260 3.337 20 0 BGADLO Clc1cnc(C[NH+]2CCCCC2)c(Cl)c1 ZINC000152848582 388887216 /nfs/dbraw/zinc/88/72/16/388887216.db2.gz PXBNZMDZKRUIRR-UHFFFAOYSA-N 1 2 245.153 3.374 20 0 BGADLO Fc1cccc(C2([NH2+]Cc3nccs3)CC2)c1 ZINC000152855677 323034000 /nfs/dbraw/zinc/03/40/00/323034000.db2.gz FPDULTSDLUODDQ-UHFFFAOYSA-N 1 2 248.326 3.061 20 0 BGADLO Fc1cccc(C2([NH2+]Cc3cscn3)CC2)c1 ZINC000152872112 388888985 /nfs/dbraw/zinc/88/89/85/388888985.db2.gz WESKWHGECNKTGZ-UHFFFAOYSA-N 1 2 248.326 3.061 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C1(C)CCCCC1 ZINC000153094814 325898960 /nfs/dbraw/zinc/89/89/60/325898960.db2.gz VHJOIQUGNFCTKL-UHFFFAOYSA-N 1 2 232.327 3.299 20 0 BGADLO FC(F)C[N@@H+](CCCCC(F)(F)F)C1CC1 ZINC000153165714 388946010 /nfs/dbraw/zinc/94/60/10/388946010.db2.gz DKKHNDQMIPBRQD-UHFFFAOYSA-N 1 2 245.235 3.449 20 0 BGADLO FC(F)C[N@H+](CCCCC(F)(F)F)C1CC1 ZINC000153165714 388946008 /nfs/dbraw/zinc/94/60/08/388946008.db2.gz DKKHNDQMIPBRQD-UHFFFAOYSA-N 1 2 245.235 3.449 20 0 BGADLO Cn1cccc1C[N@@H+](C)Cc1ccccc1Cl ZINC000153256976 388955757 /nfs/dbraw/zinc/95/57/57/388955757.db2.gz RCPYGDMBDILANY-UHFFFAOYSA-N 1 2 248.757 3.311 20 0 BGADLO Cn1cccc1C[N@H+](C)Cc1ccccc1Cl ZINC000153256976 388955754 /nfs/dbraw/zinc/95/57/54/388955754.db2.gz RCPYGDMBDILANY-UHFFFAOYSA-N 1 2 248.757 3.311 20 0 BGADLO Cc1cc(NC(=O)C2(C)CCCCC2)cc[nH+]1 ZINC000153313378 388961087 /nfs/dbraw/zinc/96/10/87/388961087.db2.gz UXWGCIJLRFFNCE-UHFFFAOYSA-N 1 2 232.327 3.299 20 0 BGADLO Cc1cccc(C)c1CNc1cc[nH+]c(C)n1 ZINC000153521088 641811905 /nfs/dbraw/zinc/81/19/05/641811905.db2.gz WROSHGZYTYXEDE-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)c1c(C)cccc1C ZINC000153539495 326101269 /nfs/dbraw/zinc/10/12/69/326101269.db2.gz IVTSPWAWDBGOAB-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000153567659 385265582 /nfs/dbraw/zinc/26/55/82/385265582.db2.gz IDSAKBWSQBNYTJ-CYBMUJFWSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000153567659 385265581 /nfs/dbraw/zinc/26/55/81/385265581.db2.gz IDSAKBWSQBNYTJ-CYBMUJFWSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000153567772 385265607 /nfs/dbraw/zinc/26/56/07/385265607.db2.gz IDSAKBWSQBNYTJ-ZDUSSCGKSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000153567772 385265604 /nfs/dbraw/zinc/26/56/04/385265604.db2.gz IDSAKBWSQBNYTJ-ZDUSSCGKSA-N 1 2 247.367 3.117 20 0 BGADLO CSCCCSc1[nH+]cc2ccccn21 ZINC000153723096 397741079 /nfs/dbraw/zinc/74/10/79/397741079.db2.gz CIZHEQBCKHYYKO-UHFFFAOYSA-N 1 2 238.381 3.180 20 0 BGADLO CC[N@@H+](Cc1cn[nH]c1C)Cc1ccccc1C ZINC000153746752 346306936 /nfs/dbraw/zinc/30/69/36/346306936.db2.gz SNWFWOGMSZVLEZ-UHFFFAOYSA-N 1 2 243.354 3.049 20 0 BGADLO Cc1cccc(C)c1CCNc1cc[nH+]c(C)n1 ZINC000153810763 344982088 /nfs/dbraw/zinc/98/20/88/344982088.db2.gz AGRAPHSXCZKGRS-UHFFFAOYSA-N 1 2 241.338 3.056 20 0 BGADLO Cc1cc(NCCc2c(C)cccc2C)nc[nH+]1 ZINC000153813528 134652494 /nfs/dbraw/zinc/65/24/94/134652494.db2.gz WQTNORUODXLVNX-UHFFFAOYSA-N 1 2 241.338 3.056 20 0 BGADLO C[N@@H+](Cc1noc(C2CCCCC2)n1)C1CCC1 ZINC000153828059 326114843 /nfs/dbraw/zinc/11/48/43/326114843.db2.gz XHXCCHFLCRZAIZ-UHFFFAOYSA-N 1 2 249.358 3.102 20 0 BGADLO C[N@H+](Cc1noc(C2CCCCC2)n1)C1CCC1 ZINC000153828059 326114841 /nfs/dbraw/zinc/11/48/41/326114841.db2.gz XHXCCHFLCRZAIZ-UHFFFAOYSA-N 1 2 249.358 3.102 20 0 BGADLO CCC[NH2+][C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000154071472 326129047 /nfs/dbraw/zinc/12/90/47/326129047.db2.gz JEMQDYQVDKKHRV-CYBMUJFWSA-N 1 2 249.354 3.069 20 0 BGADLO CCc1oc(C(=O)Nc2cc[nH+]cc2C)cc1C ZINC000154088928 326130110 /nfs/dbraw/zinc/13/01/10/326130110.db2.gz SRAYOMYOORYIOW-UHFFFAOYSA-N 1 2 244.294 3.106 20 0 BGADLO Cc1cccc(C(=O)Nc2cc[nH+]cc2C)c1F ZINC000154091808 323173758 /nfs/dbraw/zinc/17/37/58/323173758.db2.gz YKGDAXQUQHPPSK-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO C[C@@H]1CCC[N@H+]1Cc1noc(C2CCCCC2)n1 ZINC000154165817 326134098 /nfs/dbraw/zinc/13/40/98/326134098.db2.gz QZBVWKIBCCHTPP-LLVKDONJSA-N 1 2 249.358 3.102 20 0 BGADLO C[C@@H]1CCC[N@@H+]1Cc1noc(C2CCCCC2)n1 ZINC000154165817 326134097 /nfs/dbraw/zinc/13/40/97/326134097.db2.gz QZBVWKIBCCHTPP-LLVKDONJSA-N 1 2 249.358 3.102 20 0 BGADLO C[C@H]1CCC[N@H+]1Cc1noc(C2CCCCC2)n1 ZINC000154165925 326134015 /nfs/dbraw/zinc/13/40/15/326134015.db2.gz QZBVWKIBCCHTPP-NSHDSACASA-N 1 2 249.358 3.102 20 0 BGADLO C[C@H]1CCC[N@@H+]1Cc1noc(C2CCCCC2)n1 ZINC000154165925 326134012 /nfs/dbraw/zinc/13/40/12/326134012.db2.gz QZBVWKIBCCHTPP-NSHDSACASA-N 1 2 249.358 3.102 20 0 BGADLO CC[N@@H+](Cc1cc[nH]n1)Cc1cccc(Cl)c1 ZINC000154166863 410585009 /nfs/dbraw/zinc/58/50/09/410585009.db2.gz QIDANEMLYNHZFK-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO CC[N@H+](Cc1cc[nH]n1)Cc1cccc(Cl)c1 ZINC000154166863 410585002 /nfs/dbraw/zinc/58/50/02/410585002.db2.gz QIDANEMLYNHZFK-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1Cl ZINC000154175971 385307632 /nfs/dbraw/zinc/30/76/32/385307632.db2.gz NDEBOUHHRHWPBG-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1Cl ZINC000154175971 385307628 /nfs/dbraw/zinc/30/76/28/385307628.db2.gz NDEBOUHHRHWPBG-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO Cc1ccc(N[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000154239590 345022372 /nfs/dbraw/zinc/02/23/72/345022372.db2.gz GFHYODQHTBFWPP-OAHLLOKOSA-N 1 2 224.307 3.489 20 0 BGADLO Cc1ccc(N[C@H]2CCc3ccccc32)c[nH+]1 ZINC000154239664 345022292 /nfs/dbraw/zinc/02/22/92/345022292.db2.gz GFHYODQHTBFWPP-HNNXBMFYSA-N 1 2 224.307 3.489 20 0 BGADLO Cc1ccc(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c[nH+]1 ZINC000154247657 385313722 /nfs/dbraw/zinc/31/37/22/385313722.db2.gz IRPRKZBXEGOGIA-MJBXVCDLSA-N 1 2 246.354 3.006 20 0 BGADLO Cc1ccc(N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c[nH+]1 ZINC000154247840 385313624 /nfs/dbraw/zinc/31/36/24/385313624.db2.gz IRPRKZBXEGOGIA-MCIONIFRSA-N 1 2 246.354 3.006 20 0 BGADLO CCO[C@@H]1C[C@H](Nc2ccc(C)[nH+]c2)C12CCC2 ZINC000154248282 384597893 /nfs/dbraw/zinc/59/78/93/384597893.db2.gz JUJRHYRIHSXBEL-UONOGXRCSA-N 1 2 246.354 3.150 20 0 BGADLO CCO[C@H]1C[C@H](Nc2ccc(C)[nH+]c2)C12CCC2 ZINC000154248393 384597867 /nfs/dbraw/zinc/59/78/67/384597867.db2.gz JUJRHYRIHSXBEL-KBPBESRZSA-N 1 2 246.354 3.150 20 0 BGADLO CCO[C@@H]1C[C@@H](Nc2ccc(C)[nH+]c2)C12CCC2 ZINC000154248482 384597120 /nfs/dbraw/zinc/59/71/20/384597120.db2.gz JUJRHYRIHSXBEL-ZIAGYGMSSA-N 1 2 246.354 3.150 20 0 BGADLO CCO[C@H]1C[C@@H](Nc2ccc(C)[nH+]c2)C12CCC2 ZINC000154248596 384597909 /nfs/dbraw/zinc/59/79/09/384597909.db2.gz JUJRHYRIHSXBEL-KGLIPLIRSA-N 1 2 246.354 3.150 20 0 BGADLO Cc1ccc(N[C@@H](C)CCc2ccco2)c[nH+]1 ZINC000154252603 326136994 /nfs/dbraw/zinc/13/69/94/326136994.db2.gz PZIIHAKGAHWFNP-LBPRGKRZSA-N 1 2 230.311 3.416 20 0 BGADLO Cc1ccc(N[C@H](C)CCc2ccco2)c[nH+]1 ZINC000154252710 326137110 /nfs/dbraw/zinc/13/71/10/326137110.db2.gz PZIIHAKGAHWFNP-GFCCVEGCSA-N 1 2 230.311 3.416 20 0 BGADLO CCO[C@@H]1C[C@H](Nc2ccc(C)[nH+]c2)C1(C)C ZINC000154254779 345024827 /nfs/dbraw/zinc/02/48/27/345024827.db2.gz VRMSCGFVWUQTCY-QWHCGFSZSA-N 1 2 234.343 3.006 20 0 BGADLO CCO[C@H]1C[C@H](Nc2ccc(C)[nH+]c2)C1(C)C ZINC000154254903 345024993 /nfs/dbraw/zinc/02/49/93/345024993.db2.gz VRMSCGFVWUQTCY-STQMWFEESA-N 1 2 234.343 3.006 20 0 BGADLO CCO[C@@H]1C[C@@H](Nc2ccc(C)[nH+]c2)C1(C)C ZINC000154254982 345025047 /nfs/dbraw/zinc/02/50/47/345025047.db2.gz VRMSCGFVWUQTCY-CHWSQXEVSA-N 1 2 234.343 3.006 20 0 BGADLO CCO[C@H]1C[C@@H](Nc2ccc(C)[nH+]c2)C1(C)C ZINC000154255071 134668119 /nfs/dbraw/zinc/66/81/19/134668119.db2.gz VRMSCGFVWUQTCY-OLZOCXBDSA-N 1 2 234.343 3.006 20 0 BGADLO Cc1ccc(N[C@@H]2CC(C)(C)OC2(C)C)c[nH+]1 ZINC000154259254 345022737 /nfs/dbraw/zinc/02/27/37/345022737.db2.gz QSXITDIPYYRKBR-GFCCVEGCSA-N 1 2 234.343 3.148 20 0 BGADLO Cc1ccc(N[C@H]2CC(C)(C)OC2(C)C)c[nH+]1 ZINC000154259329 345022760 /nfs/dbraw/zinc/02/27/60/345022760.db2.gz QSXITDIPYYRKBR-LBPRGKRZSA-N 1 2 234.343 3.148 20 0 BGADLO CCCN(Cc1ccccc1)c1cc[nH+]c(C)n1 ZINC000154368952 201275436 /nfs/dbraw/zinc/27/54/36/201275436.db2.gz WPBVEXIDMUYQJB-UHFFFAOYSA-N 1 2 241.338 3.202 20 0 BGADLO CCN(Cc1ccccc1C)c1cc[nH+]c(C)n1 ZINC000154388496 201275906 /nfs/dbraw/zinc/27/59/06/201275906.db2.gz UNRNKDZSXHVHQU-UHFFFAOYSA-N 1 2 241.338 3.120 20 0 BGADLO C[C@@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)c2ccccc21 ZINC000154428412 176233498 /nfs/dbraw/zinc/23/34/98/176233498.db2.gz OTBVDANPMKFMJP-ABAIWWIYSA-N 1 2 241.338 3.138 20 0 BGADLO C[C@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)c2ccccc21 ZINC000154428519 177205363 /nfs/dbraw/zinc/20/53/63/177205363.db2.gz OTBVDANPMKFMJP-NHYWBVRUSA-N 1 2 241.338 3.138 20 0 BGADLO C[C@@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)c2ccccc21 ZINC000154428630 176213445 /nfs/dbraw/zinc/21/34/45/176213445.db2.gz OTBVDANPMKFMJP-IAQYHMDHSA-N 1 2 241.338 3.138 20 0 BGADLO C[C@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)c2ccccc21 ZINC000154428742 177193588 /nfs/dbraw/zinc/19/35/88/177193588.db2.gz OTBVDANPMKFMJP-XHDPSFHLSA-N 1 2 241.338 3.138 20 0 BGADLO Cc1cccc(C)c1C[N@@H+](C)Cc1cscn1 ZINC000154474378 179032761 /nfs/dbraw/zinc/03/27/61/179032761.db2.gz ZEZPNNZPHQDDES-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cccc(C)c1C[N@H+](C)Cc1cscn1 ZINC000154474378 179032758 /nfs/dbraw/zinc/03/27/58/179032758.db2.gz ZEZPNNZPHQDDES-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO c1ccc(N2CCOC3(C2)CCCCCC3)[nH+]c1 ZINC000154551344 385336998 /nfs/dbraw/zinc/33/69/98/385336998.db2.gz BJHCWHMZZSHORZ-UHFFFAOYSA-N 1 2 246.354 3.011 20 0 BGADLO Cc1cccc(C)c1C[N@@H+](C)CC(F)F ZINC000154677402 326157647 /nfs/dbraw/zinc/15/76/47/326157647.db2.gz WAPKEMSJZWHAOM-UHFFFAOYSA-N 1 2 213.271 3.000 20 0 BGADLO Cc1cccc(C)c1C[N@H+](C)CC(F)F ZINC000154677402 326157645 /nfs/dbraw/zinc/15/76/45/326157645.db2.gz WAPKEMSJZWHAOM-UHFFFAOYSA-N 1 2 213.271 3.000 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](Cc1ccccc1)C(C)C ZINC000154679454 206065641 /nfs/dbraw/zinc/06/56/41/206065641.db2.gz NGKPMSWDPONWAL-UHFFFAOYSA-N 1 2 243.354 3.129 20 0 BGADLO Cc1[nH]ncc1C[N@H+](Cc1ccccc1)C(C)C ZINC000154679454 206065637 /nfs/dbraw/zinc/06/56/37/206065637.db2.gz NGKPMSWDPONWAL-UHFFFAOYSA-N 1 2 243.354 3.129 20 0 BGADLO c1cn(C2CCCC2)nc1CNc1cccc[nH+]1 ZINC000154746357 345048401 /nfs/dbraw/zinc/04/84/01/345048401.db2.gz RBLICIXUNRCOPZ-UHFFFAOYSA-N 1 2 242.326 3.005 20 0 BGADLO C[C@H]([NH2+]Cc1ncccc1F)c1ccccc1F ZINC000154883254 326169677 /nfs/dbraw/zinc/16/96/77/326169677.db2.gz CJVVBZRMFPUHQS-JTQLQIEISA-N 1 2 248.276 3.211 20 0 BGADLO C[C@@H]([NH2+]Cc1ncccc1F)c1ccccc1F ZINC000154883368 326169529 /nfs/dbraw/zinc/16/95/29/326169529.db2.gz CJVVBZRMFPUHQS-SNVBAGLBSA-N 1 2 248.276 3.211 20 0 BGADLO c1coc(CSCc2c[nH+]c3ccccn23)c1 ZINC000155858669 326212911 /nfs/dbraw/zinc/21/29/11/326212911.db2.gz IFJFTLOIAVWWDS-UHFFFAOYSA-N 1 2 244.319 3.361 20 0 BGADLO c1[nH+]c2ccccn2c1CSc1ccccn1 ZINC000155870204 326213781 /nfs/dbraw/zinc/21/37/81/326213781.db2.gz HCKXDWPDVVCNHN-UHFFFAOYSA-N 1 2 241.319 3.022 20 0 BGADLO CCCCc1[nH+]c2ccccc2n1C[C@H](O)CC ZINC000156069037 169027512 /nfs/dbraw/zinc/02/75/12/169027512.db2.gz DXDJBJATUBFXLT-GFCCVEGCSA-N 1 2 246.354 3.150 20 0 BGADLO CCCCc1[nH+]c2ccccc2n1C[C@@H](O)CC ZINC000156069160 169027529 /nfs/dbraw/zinc/02/75/29/169027529.db2.gz DXDJBJATUBFXLT-LBPRGKRZSA-N 1 2 246.354 3.150 20 0 BGADLO Cc1ccc(CNc2ccc([NH+](C)C)cc2)cn1 ZINC000156285875 632128516 /nfs/dbraw/zinc/12/85/16/632128516.db2.gz MYSZYLDFAHVDMI-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO COC[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(C)o1 ZINC000156472462 385454217 /nfs/dbraw/zinc/45/42/17/385454217.db2.gz ZJJOXOIESVQJSV-NWDGAFQWSA-N 1 2 249.310 3.219 20 0 BGADLO COC[C@H]([NH2+][C@@H](C)c1ccco1)c1ccc(C)o1 ZINC000156472556 385455122 /nfs/dbraw/zinc/45/51/22/385455122.db2.gz ZJJOXOIESVQJSV-RYUDHWBXSA-N 1 2 249.310 3.219 20 0 BGADLO COC[C@@H]([NH2+][C@H](C)c1ccco1)c1ccc(C)o1 ZINC000156472654 385454793 /nfs/dbraw/zinc/45/47/93/385454793.db2.gz ZJJOXOIESVQJSV-VXGBXAGGSA-N 1 2 249.310 3.219 20 0 BGADLO COC[C@H]([NH2+][C@H](C)c1ccco1)c1ccc(C)o1 ZINC000156472790 385454549 /nfs/dbraw/zinc/45/45/49/385454549.db2.gz ZJJOXOIESVQJSV-NEPJUHHUSA-N 1 2 249.310 3.219 20 0 BGADLO Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccon1 ZINC000156609268 384148585 /nfs/dbraw/zinc/14/85/85/384148585.db2.gz GIEDPDRPWDIYPH-ZDUSSCGKSA-N 1 2 248.713 3.105 20 0 BGADLO Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccon1 ZINC000156609384 385460380 /nfs/dbraw/zinc/46/03/80/385460380.db2.gz GIEDPDRPWDIYPH-CYBMUJFWSA-N 1 2 248.713 3.105 20 0 BGADLO CC(C)c1nc(N2CC[C@@H](C)C[C@H]2C)cc[nH+]1 ZINC000156615047 388011270 /nfs/dbraw/zinc/01/12/70/388011270.db2.gz SGRBYLFIAMOQHC-VXGBXAGGSA-N 1 2 233.359 3.225 20 0 BGADLO Cc1cccc([C@@H](C)[N@@H+](C)CC(F)F)c1 ZINC000156617964 326237420 /nfs/dbraw/zinc/23/74/20/326237420.db2.gz PGIQVYIZVMRNNS-SNVBAGLBSA-N 1 2 213.271 3.253 20 0 BGADLO Cc1cccc([C@@H](C)[N@H+](C)CC(F)F)c1 ZINC000156617964 326237417 /nfs/dbraw/zinc/23/74/17/326237417.db2.gz PGIQVYIZVMRNNS-SNVBAGLBSA-N 1 2 213.271 3.253 20 0 BGADLO Cc1cccc([C@H](C)[N@@H+](C)CC(F)F)c1 ZINC000156618075 326237603 /nfs/dbraw/zinc/23/76/03/326237603.db2.gz PGIQVYIZVMRNNS-JTQLQIEISA-N 1 2 213.271 3.253 20 0 BGADLO Cc1cccc([C@H](C)[N@H+](C)CC(F)F)c1 ZINC000156618075 326237598 /nfs/dbraw/zinc/23/75/98/326237598.db2.gz PGIQVYIZVMRNNS-JTQLQIEISA-N 1 2 213.271 3.253 20 0 BGADLO FC(F)C[N@H+](Cc1ccccc1)CC1CC1 ZINC000156637006 326237763 /nfs/dbraw/zinc/23/77/63/326237763.db2.gz ILPWOOIAFDVWOC-UHFFFAOYSA-N 1 2 225.282 3.164 20 0 BGADLO FC(F)C[N@@H+](Cc1ccccc1)CC1CC1 ZINC000156637006 326237760 /nfs/dbraw/zinc/23/77/60/326237760.db2.gz ILPWOOIAFDVWOC-UHFFFAOYSA-N 1 2 225.282 3.164 20 0 BGADLO C[N@@H+](CC(F)F)[C@@H]1CCCc2ccc(F)cc21 ZINC000156643454 326238564 /nfs/dbraw/zinc/23/85/64/326238564.db2.gz GHDBKPRHVZKSCA-GFCCVEGCSA-N 1 2 243.272 3.400 20 0 BGADLO C[N@H+](CC(F)F)[C@@H]1CCCc2ccc(F)cc21 ZINC000156643454 326238562 /nfs/dbraw/zinc/23/85/62/326238562.db2.gz GHDBKPRHVZKSCA-GFCCVEGCSA-N 1 2 243.272 3.400 20 0 BGADLO C[N@@H+](CC(F)F)[C@H]1CCCc2ccc(F)cc21 ZINC000156643577 326238615 /nfs/dbraw/zinc/23/86/15/326238615.db2.gz GHDBKPRHVZKSCA-LBPRGKRZSA-N 1 2 243.272 3.400 20 0 BGADLO C[N@H+](CC(F)F)[C@H]1CCCc2ccc(F)cc21 ZINC000156643577 326238612 /nfs/dbraw/zinc/23/86/12/326238612.db2.gz GHDBKPRHVZKSCA-LBPRGKRZSA-N 1 2 243.272 3.400 20 0 BGADLO Cc1[nH+]cccc1NC1CC(OC(C)(C)C)C1 ZINC000156890967 180225731 /nfs/dbraw/zinc/22/57/31/180225731.db2.gz HPKOYWALDDSWGU-UHFFFAOYSA-N 1 2 234.343 3.148 20 0 BGADLO Cc1ccc(NC2CC(OC(C)(C)C)C2)c(C)[nH+]1 ZINC000156891760 385012873 /nfs/dbraw/zinc/01/28/73/385012873.db2.gz DBLPPSCNVDUXRH-UHFFFAOYSA-N 1 2 248.370 3.456 20 0 BGADLO Cc1c[nH+]cc(NC2CC(OC(C)(C)C)C2)c1 ZINC000156892242 385472932 /nfs/dbraw/zinc/47/29/32/385472932.db2.gz BOZPFHPBXKPIJT-UHFFFAOYSA-N 1 2 234.343 3.148 20 0 BGADLO Cl/C=C/C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000157271410 640660174 /nfs/dbraw/zinc/66/01/74/640660174.db2.gz RWFRWWQRBZPTDR-QHHAFSJGSA-N 1 2 242.149 3.451 20 0 BGADLO Cl/C=C/C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000157271410 640660165 /nfs/dbraw/zinc/66/01/65/640660165.db2.gz RWFRWWQRBZPTDR-QHHAFSJGSA-N 1 2 242.149 3.451 20 0 BGADLO COc1cccc(Cl)c1CNc1cccc[nH+]1 ZINC000157437191 385178435 /nfs/dbraw/zinc/17/84/35/385178435.db2.gz FZZXHCSPJNEPQU-UHFFFAOYSA-N 1 2 248.713 3.356 20 0 BGADLO c1cc2c(cccc2CNc2cccc[nH+]2)[nH]1 ZINC000157438940 323094853 /nfs/dbraw/zinc/09/48/53/323094853.db2.gz FGMPNDOAXJOLPE-UHFFFAOYSA-N 1 2 223.279 3.175 20 0 BGADLO C1=C(CCNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000157448449 385183032 /nfs/dbraw/zinc/18/30/32/385183032.db2.gz YXHUKLUOLVEIFR-UHFFFAOYSA-N 1 2 229.327 3.266 20 0 BGADLO Cc1ccoc1CNc1ccc([NH+](C)C)cc1 ZINC000157460854 385504340 /nfs/dbraw/zinc/50/43/40/385504340.db2.gz SIPSDVNWWUAHHM-UHFFFAOYSA-N 1 2 230.311 3.266 20 0 BGADLO c1coc(C[N@@H+](Cc2ccon2)C2CCCC2)c1 ZINC000157597846 385510536 /nfs/dbraw/zinc/51/05/36/385510536.db2.gz RIHPMQVTVQDFRF-UHFFFAOYSA-N 1 2 246.310 3.212 20 0 BGADLO c1coc(C[N@H+](Cc2ccon2)C2CCCC2)c1 ZINC000157597846 385510532 /nfs/dbraw/zinc/51/05/32/385510532.db2.gz RIHPMQVTVQDFRF-UHFFFAOYSA-N 1 2 246.310 3.212 20 0 BGADLO C[N@@H+](CCCc1ccc(Cl)cc1)CC(F)F ZINC000157896304 344093111 /nfs/dbraw/zinc/09/31/11/344093111.db2.gz HFXQMNZCIBEHQT-UHFFFAOYSA-N 1 2 247.716 3.470 20 0 BGADLO C[N@H+](CCCc1ccc(Cl)cc1)CC(F)F ZINC000157896304 344093108 /nfs/dbraw/zinc/09/31/08/344093108.db2.gz HFXQMNZCIBEHQT-UHFFFAOYSA-N 1 2 247.716 3.470 20 0 BGADLO Fc1cc2[nH+]cn(CC3CCC3)c2cc1F ZINC000157981286 193047322 /nfs/dbraw/zinc/04/73/22/193047322.db2.gz HPQRYKUKUXVEGC-UHFFFAOYSA-N 1 2 222.238 3.115 20 0 BGADLO c1cn(-c2cccc(OCC3CCC3)c2)c[nH+]1 ZINC000158007617 326304085 /nfs/dbraw/zinc/30/40/85/326304085.db2.gz HSLVFQSAXRZWFA-UHFFFAOYSA-N 1 2 228.295 3.051 20 0 BGADLO CC(C)=CC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000158087101 188333227 /nfs/dbraw/zinc/33/32/27/188333227.db2.gz SGYGDRWRRPIGSV-LBPRGKRZSA-N 1 2 237.368 3.088 20 0 BGADLO CC(C)=CC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000158087101 188333225 /nfs/dbraw/zinc/33/32/25/188333225.db2.gz SGYGDRWRRPIGSV-LBPRGKRZSA-N 1 2 237.368 3.088 20 0 BGADLO CC(C)=CC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000158087259 385547668 /nfs/dbraw/zinc/54/76/68/385547668.db2.gz SGYGDRWRRPIGSV-GFCCVEGCSA-N 1 2 237.368 3.088 20 0 BGADLO CC(C)=CC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000158087259 385547664 /nfs/dbraw/zinc/54/76/64/385547664.db2.gz SGYGDRWRRPIGSV-GFCCVEGCSA-N 1 2 237.368 3.088 20 0 BGADLO CC(C)c1ccc(N(C)Cc2[nH+]ccn2C)cc1 ZINC000158174563 385550411 /nfs/dbraw/zinc/55/04/11/385550411.db2.gz TZVZRPKVWWIWSI-UHFFFAOYSA-N 1 2 243.354 3.180 20 0 BGADLO Cc1cc2[nH+]cn(Cc3nccs3)c2cc1C ZINC000158193606 387938071 /nfs/dbraw/zinc/93/80/71/387938071.db2.gz UCNKEYJOBLADHI-UHFFFAOYSA-N 1 2 243.335 3.158 20 0 BGADLO CC(C)(C)Oc1cc[nH+]cc1NCc1ccco1 ZINC000158435531 384231531 /nfs/dbraw/zinc/23/15/31/384231531.db2.gz ZWAZMGMODASOOR-UHFFFAOYSA-N 1 2 246.310 3.464 20 0 BGADLO CC[NH2+][C@@H](c1cccc(OC(C)C)c1)C(F)F ZINC000158658142 343201206 /nfs/dbraw/zinc/20/12/06/343201206.db2.gz FLOUASPHYXWTNR-LBPRGKRZSA-N 1 2 243.297 3.390 20 0 BGADLO CC[NH2+][C@H](c1cccc(OC(C)C)c1)C(F)F ZINC000158658283 343201416 /nfs/dbraw/zinc/20/14/16/343201416.db2.gz FLOUASPHYXWTNR-GFCCVEGCSA-N 1 2 243.297 3.390 20 0 BGADLO CCSCC[C@@H](C)Nc1cccc[nH+]1 ZINC000158675191 387962369 /nfs/dbraw/zinc/96/23/69/387962369.db2.gz HQEMZUIRLSWYOQ-SNVBAGLBSA-N 1 2 210.346 3.025 20 0 BGADLO CCSCC[C@H](C)Nc1cccc[nH+]1 ZINC000158675339 387962285 /nfs/dbraw/zinc/96/22/85/387962285.db2.gz HQEMZUIRLSWYOQ-JTQLQIEISA-N 1 2 210.346 3.025 20 0 BGADLO CCC[C@H](O)CNc1[nH+]c2ccccc2cc1C ZINC000158732325 345371501 /nfs/dbraw/zinc/37/15/01/345371501.db2.gz LTRXYAXNGLKRAW-ZDUSSCGKSA-N 1 2 244.338 3.116 20 0 BGADLO CCC[C@@H](O)CNc1[nH+]c2ccccc2cc1C ZINC000158732462 345371584 /nfs/dbraw/zinc/37/15/84/345371584.db2.gz LTRXYAXNGLKRAW-CYBMUJFWSA-N 1 2 244.338 3.116 20 0 BGADLO Cc1ccc(CSCc2[nH+]ccn2C)cc1C ZINC000158926403 187301151 /nfs/dbraw/zinc/30/11/51/187301151.db2.gz AGWUJDPOQXEKFM-UHFFFAOYSA-N 1 2 246.379 3.470 20 0 BGADLO CCC(C)(CC)C(=O)Nc1cc[nH+]cc1C ZINC000158994197 538872004 /nfs/dbraw/zinc/87/20/04/538872004.db2.gz GARXSGJLVWPWSW-UHFFFAOYSA-N 1 2 220.316 3.155 20 0 BGADLO Cc1nc([C@@H](C)[NH2+]Cc2ccoc2)c(C)s1 ZINC000159058083 538111398 /nfs/dbraw/zinc/11/13/98/538111398.db2.gz LVZBIRXGCAKNJM-MRVPVSSYSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1nc([C@H](C)[NH2+]Cc2ccoc2)c(C)s1 ZINC000159058219 538872982 /nfs/dbraw/zinc/87/29/82/538872982.db2.gz LVZBIRXGCAKNJM-QMMMGPOBSA-N 1 2 236.340 3.204 20 0 BGADLO CC(C)c1cc(C[NH2+][C@@H](C)c2ccccn2)on1 ZINC000159141918 538874236 /nfs/dbraw/zinc/87/42/36/538874236.db2.gz PLYCHGIXTRPNCC-NSHDSACASA-N 1 2 245.326 3.044 20 0 BGADLO CC(C)c1cc(C[NH2+][C@H](C)c2ccccn2)on1 ZINC000159142042 538874690 /nfs/dbraw/zinc/87/46/90/538874690.db2.gz PLYCHGIXTRPNCC-LLVKDONJSA-N 1 2 245.326 3.044 20 0 BGADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2C)oc1C ZINC000159223377 323074991 /nfs/dbraw/zinc/07/49/91/323074991.db2.gz CXCGYSVELKXCAF-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO CCCCOc1ccccc1NCc1[nH]cc[nH+]1 ZINC000159280843 346415304 /nfs/dbraw/zinc/41/53/04/346415304.db2.gz DUTOFUYWDRKAIM-UHFFFAOYSA-N 1 2 245.326 3.201 20 0 BGADLO CCOc1ccc(SCCn2cc[nH+]c2)cc1 ZINC000159749149 641697914 /nfs/dbraw/zinc/69/79/14/641697914.db2.gz ZDMVXIVFESLEGU-UHFFFAOYSA-N 1 2 248.351 3.074 20 0 BGADLO C[C@H](SCCn1cc[nH+]c1)c1cccs1 ZINC000160145789 643070610 /nfs/dbraw/zinc/07/06/10/643070610.db2.gz UUUAWAVOAWGPFX-JTQLQIEISA-N 1 2 238.381 3.439 20 0 BGADLO C[C@@H](SCCn1cc[nH+]c1)c1cccs1 ZINC000160145925 643071001 /nfs/dbraw/zinc/07/10/01/643071001.db2.gz UUUAWAVOAWGPFX-SNVBAGLBSA-N 1 2 238.381 3.439 20 0 BGADLO Cc1nc(C[NH2+][C@@H](C)c2cccc(C)c2)oc1C ZINC000160247794 179196564 /nfs/dbraw/zinc/19/65/64/179196564.db2.gz YOJUSBMXSFTAJR-LBPRGKRZSA-N 1 2 244.338 3.451 20 0 BGADLO C[C@H]([NH2+]Cc1ccccc1F)c1cscn1 ZINC000161136535 384467701 /nfs/dbraw/zinc/46/77/01/384467701.db2.gz ZLHHEEIWXCAYMZ-VIFPVBQESA-N 1 2 236.315 3.133 20 0 BGADLO C[C@@H]([NH2+]Cc1ccccc1F)c1cscn1 ZINC000161136682 384467406 /nfs/dbraw/zinc/46/74/06/384467406.db2.gz ZLHHEEIWXCAYMZ-SECBINFHSA-N 1 2 236.315 3.133 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cscn2)o1 ZINC000161140929 343204295 /nfs/dbraw/zinc/20/42/95/343204295.db2.gz UANSKJNBKWUDHV-VHSXEESVSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cscn2)o1 ZINC000161141071 343204232 /nfs/dbraw/zinc/20/42/32/343204232.db2.gz UANSKJNBKWUDHV-UWVGGRQHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cscn2)o1 ZINC000161141179 343204256 /nfs/dbraw/zinc/20/42/56/343204256.db2.gz UANSKJNBKWUDHV-NXEZZACHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cscn2)o1 ZINC000161141288 343204171 /nfs/dbraw/zinc/20/41/71/343204171.db2.gz UANSKJNBKWUDHV-ZJUUUORDSA-N 1 2 236.340 3.456 20 0 BGADLO C[C@H]([NH2+]Cc1cccc(F)c1)c1cscn1 ZINC000161150211 384469360 /nfs/dbraw/zinc/46/93/60/384469360.db2.gz WTHPATQADRNNIB-VIFPVBQESA-N 1 2 236.315 3.133 20 0 BGADLO C[C@@H]([NH2+]Cc1cccc(F)c1)c1cscn1 ZINC000161150341 384470147 /nfs/dbraw/zinc/47/01/47/384470147.db2.gz WTHPATQADRNNIB-SECBINFHSA-N 1 2 236.315 3.133 20 0 BGADLO Cc1cc(NC(=O)c2cccc(C)c2F)cc[nH+]1 ZINC000161599073 349484508 /nfs/dbraw/zinc/48/45/08/349484508.db2.gz KZZNFXYMGXTPGF-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Cc1nc(N2CCCC[C@@H]2CC(C)C)cc[nH+]1 ZINC000161631817 323549399 /nfs/dbraw/zinc/54/93/99/323549399.db2.gz NPBZLTGLZDUPHE-CYBMUJFWSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1nc(N2CCCC[C@H]2CC(C)C)cc[nH+]1 ZINC000161631956 323549073 /nfs/dbraw/zinc/54/90/73/323549073.db2.gz NPBZLTGLZDUPHE-ZDUSSCGKSA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@H]([NH2+]Cc1ncccc1C)c1nccs1 ZINC000161813369 349508776 /nfs/dbraw/zinc/50/87/76/349508776.db2.gz CXEYXMCGNLSHQJ-NSHDSACASA-N 1 2 247.367 3.087 20 0 BGADLO CC[C@@H]([NH2+]Cc1ncccc1C)c1nccs1 ZINC000161813465 349508673 /nfs/dbraw/zinc/50/86/73/349508673.db2.gz CXEYXMCGNLSHQJ-LLVKDONJSA-N 1 2 247.367 3.087 20 0 BGADLO Cc1csc([C@H](C)[NH2+]Cc2ncccc2C)n1 ZINC000161813597 349508716 /nfs/dbraw/zinc/50/87/16/349508716.db2.gz RNSPSOVFSHNRLT-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1csc([C@@H](C)[NH2+]Cc2ncccc2C)n1 ZINC000161813697 349508949 /nfs/dbraw/zinc/50/89/49/349508949.db2.gz RNSPSOVFSHNRLT-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cccn2cc(CSCCCF)[nH+]c12 ZINC000161924324 179356377 /nfs/dbraw/zinc/35/63/77/179356377.db2.gz QBXSZYBPIQRBIN-UHFFFAOYSA-N 1 2 238.331 3.236 20 0 BGADLO C[N@@H+](Cc1ccco1)Cc1cnc(C2CC2)s1 ZINC000162179801 541446933 /nfs/dbraw/zinc/44/69/33/541446933.db2.gz VCXGMWIAEQTWFT-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@H+](Cc1ccco1)Cc1cnc(C2CC2)s1 ZINC000162179801 541446929 /nfs/dbraw/zinc/44/69/29/541446929.db2.gz VCXGMWIAEQTWFT-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@@H+](Cc1ccco1)Cc1c(F)cccc1F ZINC000162181773 541446983 /nfs/dbraw/zinc/44/69/83/541446983.db2.gz MMEKNEWNZNFGQU-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO C[N@H+](Cc1ccco1)Cc1c(F)cccc1F ZINC000162181773 541446978 /nfs/dbraw/zinc/44/69/78/541446978.db2.gz MMEKNEWNZNFGQU-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO c1csc(CSc2[nH+]cc3ccccn32)n1 ZINC000162227105 384591293 /nfs/dbraw/zinc/59/12/93/384591293.db2.gz IKQRNZXXWPOBOW-UHFFFAOYSA-N 1 2 247.348 3.083 20 0 BGADLO CCc1noc(C)c1C[N@@H+](C)Cc1ccc(C)o1 ZINC000162258413 388136634 /nfs/dbraw/zinc/13/66/34/388136634.db2.gz LFTRAYHBASBNKY-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1noc(C)c1C[N@H+](C)Cc1ccc(C)o1 ZINC000162258413 388136632 /nfs/dbraw/zinc/13/66/32/388136632.db2.gz LFTRAYHBASBNKY-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1cscn1 ZINC000162356685 384604352 /nfs/dbraw/zinc/60/43/52/384604352.db2.gz UZQGKTOJEJNFRY-GXSJLCMTSA-N 1 2 248.351 3.464 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1cscn1 ZINC000162356804 384605420 /nfs/dbraw/zinc/60/54/20/384605420.db2.gz UZQGKTOJEJNFRY-MWLCHTKSSA-N 1 2 248.351 3.464 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCc2occc21)c1cscn1 ZINC000162356929 384606466 /nfs/dbraw/zinc/60/64/66/384606466.db2.gz UZQGKTOJEJNFRY-ONGXEEELSA-N 1 2 248.351 3.464 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1cscn1 ZINC000162357050 384605251 /nfs/dbraw/zinc/60/52/51/384605251.db2.gz UZQGKTOJEJNFRY-KOLCDFICSA-N 1 2 248.351 3.464 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1cccc(O)c1)c1cscn1 ZINC000162408930 343205379 /nfs/dbraw/zinc/20/53/79/343205379.db2.gz CBBKARPHJLPLNA-UWVGGRQHSA-N 1 2 248.351 3.261 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cccc(O)c1 ZINC000162409060 343205015 /nfs/dbraw/zinc/20/50/15/343205015.db2.gz CBBKARPHJLPLNA-ZJUUUORDSA-N 1 2 248.351 3.261 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1cscn1 ZINC000162409201 343205439 /nfs/dbraw/zinc/20/54/39/343205439.db2.gz CBBKARPHJLPLNA-VHSXEESVSA-N 1 2 248.351 3.261 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1cccc(O)c1)c1cscn1 ZINC000162409287 343205113 /nfs/dbraw/zinc/20/51/13/343205113.db2.gz CBBKARPHJLPLNA-NXEZZACHSA-N 1 2 248.351 3.261 20 0 BGADLO COc1cc([NH2+]C[C@H](C)C(C)(C)C)ccc1N ZINC000162645814 633035269 /nfs/dbraw/zinc/03/52/69/633035269.db2.gz KPRRONQVKMHZPE-JTQLQIEISA-N 1 2 236.359 3.372 20 0 BGADLO COc1cc([NH2+]C[C@@H](C)C(C)(C)C)ccc1N ZINC000162645953 633035552 /nfs/dbraw/zinc/03/55/52/633035552.db2.gz KPRRONQVKMHZPE-SNVBAGLBSA-N 1 2 236.359 3.372 20 0 BGADLO CC(C)c1nc(N2CC[C@@H](C)[C@@H](C)C2)cc[nH+]1 ZINC000162700554 387498080 /nfs/dbraw/zinc/49/80/80/387498080.db2.gz FVTAOXJCVFGSRI-NEPJUHHUSA-N 1 2 233.359 3.082 20 0 BGADLO CC(C)c1nc(N2CC[C@H](C)[C@@H](C)C2)cc[nH+]1 ZINC000162700693 387498534 /nfs/dbraw/zinc/49/85/34/387498534.db2.gz FVTAOXJCVFGSRI-RYUDHWBXSA-N 1 2 233.359 3.082 20 0 BGADLO Cc1[nH]ncc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000162719573 384670617 /nfs/dbraw/zinc/67/06/17/384670617.db2.gz GZWDHKAGOJLSKH-GFCCVEGCSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000162719573 384670613 /nfs/dbraw/zinc/67/06/13/384670613.db2.gz GZWDHKAGOJLSKH-GFCCVEGCSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1[nH]ncc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000162719720 384672547 /nfs/dbraw/zinc/67/25/47/384672547.db2.gz GZWDHKAGOJLSKH-LBPRGKRZSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1[nH]ncc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000162719720 384672542 /nfs/dbraw/zinc/67/25/42/384672542.db2.gz GZWDHKAGOJLSKH-LBPRGKRZSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1nc(N[C@@H](C)c2cccc(F)c2F)cc[nH+]1 ZINC000162859067 324127111 /nfs/dbraw/zinc/12/71/11/324127111.db2.gz FGPFFNTVROXURC-QMMMGPOBSA-N 1 2 249.264 3.236 20 0 BGADLO Cc1nc(N[C@H](C)c2cccc(F)c2F)cc[nH+]1 ZINC000162859166 324126966 /nfs/dbraw/zinc/12/69/66/324126966.db2.gz FGPFFNTVROXURC-MRVPVSSYSA-N 1 2 249.264 3.236 20 0 BGADLO CCCC1(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000162887950 386119041 /nfs/dbraw/zinc/11/90/41/386119041.db2.gz KUXNSJJYCYOTBG-UHFFFAOYSA-N 1 2 231.343 3.346 20 0 BGADLO Cc1ccc(N[C@@H](C)CC2CCC2)c[nH+]1 ZINC000162929950 538925521 /nfs/dbraw/zinc/92/55/21/538925521.db2.gz SZGXVDMQFULSIS-NSHDSACASA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@H](C)CC2CCC2)c[nH+]1 ZINC000162930080 538925466 /nfs/dbraw/zinc/92/54/66/538925466.db2.gz SZGXVDMQFULSIS-LLVKDONJSA-N 1 2 204.317 3.381 20 0 BGADLO CC[C@@H]1CCC[C@@H]1Nc1ccc(C)[nH+]c1 ZINC000162930206 324141487 /nfs/dbraw/zinc/14/14/87/324141487.db2.gz SLKBZGFYJXNNKO-YPMHNXCESA-N 1 2 204.317 3.381 20 0 BGADLO CC[C@H]1CCC[C@@H]1Nc1ccc(C)[nH+]c1 ZINC000162930331 324136182 /nfs/dbraw/zinc/13/61/82/324136182.db2.gz SLKBZGFYJXNNKO-AAEUAGOBSA-N 1 2 204.317 3.381 20 0 BGADLO CC[C@@H]1CCC[C@H]1Nc1ccc(C)[nH+]c1 ZINC000162930465 324136056 /nfs/dbraw/zinc/13/60/56/324136056.db2.gz SLKBZGFYJXNNKO-DGCLKSJQSA-N 1 2 204.317 3.381 20 0 BGADLO CC[C@H]1CCC[C@H]1Nc1ccc(C)[nH+]c1 ZINC000162930603 324136237 /nfs/dbraw/zinc/13/62/37/324136237.db2.gz SLKBZGFYJXNNKO-WCQYABFASA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@@H](C)c2cscn2)c[nH+]1 ZINC000162931026 388254674 /nfs/dbraw/zinc/25/46/74/388254674.db2.gz GVVJXEFTUWCEEI-VIFPVBQESA-N 1 2 219.313 3.020 20 0 BGADLO Cc1ccc(N[C@H](C)c2cscn2)c[nH+]1 ZINC000162931150 388254661 /nfs/dbraw/zinc/25/46/61/388254661.db2.gz GVVJXEFTUWCEEI-SECBINFHSA-N 1 2 219.313 3.020 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)CC1CCC1 ZINC000162941941 538925884 /nfs/dbraw/zinc/92/58/84/538925884.db2.gz KLXNONUXNGRCCX-JTQLQIEISA-N 1 2 204.317 3.381 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)CC1CCC1 ZINC000162942061 538925903 /nfs/dbraw/zinc/92/59/03/538925903.db2.gz KLXNONUXNGRCCX-SNVBAGLBSA-N 1 2 204.317 3.381 20 0 BGADLO C[C@@H](CC1CC1)[NH2+]c1ccc(N(C)C)cc1 ZINC000163029975 633046542 /nfs/dbraw/zinc/04/65/42/633046542.db2.gz UXBSEMJQGRVYCH-NSHDSACASA-N 1 2 218.344 3.353 20 0 BGADLO C[C@H](CC1CC1)[NH2+]c1ccc(N(C)C)cc1 ZINC000163030080 635337131 /nfs/dbraw/zinc/33/71/31/635337131.db2.gz UXBSEMJQGRVYCH-LLVKDONJSA-N 1 2 218.344 3.353 20 0 BGADLO Cc1ccc(F)c(CNc2ccc[nH+]c2C)c1 ZINC000163344947 388261644 /nfs/dbraw/zinc/26/16/44/388261644.db2.gz JHQXCVPPABYJEL-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO CC[C@H]([NH2+]Cc1cc(C)on1)c1ccccc1F ZINC000163525775 487737924 /nfs/dbraw/zinc/73/79/24/487737924.db2.gz XNUPCKJULKJUQS-AWEZNQCLSA-N 1 2 248.301 3.363 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc(C)on1)c1ccccc1F ZINC000163525886 487737790 /nfs/dbraw/zinc/73/77/90/487737790.db2.gz XNUPCKJULKJUQS-CQSZACIVSA-N 1 2 248.301 3.363 20 0 BGADLO Fc1cc2[nH+]cn(C3CCCC3)c2cc1F ZINC000163949260 388107759 /nfs/dbraw/zinc/10/77/59/388107759.db2.gz WQYGFINBKYGCHK-UHFFFAOYSA-N 1 2 222.238 3.430 20 0 BGADLO CCc1nc([C@@H](C)[NH2+]Cc2ccoc2)cs1 ZINC000163964856 640432600 /nfs/dbraw/zinc/43/26/00/640432600.db2.gz GSODVLKUYBNBRW-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO CCc1nc([C@H](C)[NH2+]Cc2ccoc2)cs1 ZINC000163964962 640431043 /nfs/dbraw/zinc/43/10/43/640431043.db2.gz GSODVLKUYBNBRW-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO CC[C@H]([NH2+]Cc1ccon1)c1ccccc1F ZINC000164068880 487791921 /nfs/dbraw/zinc/79/19/21/487791921.db2.gz MVAZVKMTKNCESZ-ZDUSSCGKSA-N 1 2 234.274 3.055 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccon1)c1ccccc1F ZINC000164068989 487791866 /nfs/dbraw/zinc/79/18/66/487791866.db2.gz MVAZVKMTKNCESZ-CYBMUJFWSA-N 1 2 234.274 3.055 20 0 BGADLO Cc1csc(C(C)(C)[NH2+]Cc2ccoc2)n1 ZINC000164098026 633071002 /nfs/dbraw/zinc/07/10/02/633071002.db2.gz MKHRUQBMTMMJBD-UHFFFAOYSA-N 1 2 236.340 3.069 20 0 BGADLO CC1(C)CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000164230107 135217250 /nfs/dbraw/zinc/21/72/50/135217250.db2.gz YQQHQIAEDXNANW-NSHDSACASA-N 1 2 204.317 3.462 20 0 BGADLO CC1(C)CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000164230235 535300772 /nfs/dbraw/zinc/30/07/72/535300772.db2.gz YQQHQIAEDXNANW-LLVKDONJSA-N 1 2 204.317 3.462 20 0 BGADLO CC[C@](C)([NH2+]Cc1ccoc1)c1nccs1 ZINC000164307647 633076984 /nfs/dbraw/zinc/07/69/84/633076984.db2.gz RBQOTISNIXBFSB-LBPRGKRZSA-N 1 2 236.340 3.151 20 0 BGADLO CC[C@@](C)([NH2+]Cc1ccoc1)c1nccs1 ZINC000164307774 633076419 /nfs/dbraw/zinc/07/64/19/633076419.db2.gz RBQOTISNIXBFSB-GFCCVEGCSA-N 1 2 236.340 3.151 20 0 BGADLO Cc1ccoc1C[NH2+][C@@H](C)c1csc(C)n1 ZINC000164532280 180052016 /nfs/dbraw/zinc/05/20/16/180052016.db2.gz FQYMSYORXHPBFJ-VIFPVBQESA-N 1 2 236.340 3.204 20 0 BGADLO Cc1ccoc1C[NH2+][C@H](C)c1csc(C)n1 ZINC000164532395 180037096 /nfs/dbraw/zinc/03/70/96/180037096.db2.gz FQYMSYORXHPBFJ-SECBINFHSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1nc([C@H](C)Nc2ccc(C)[nH+]c2)cs1 ZINC000164551795 385008278 /nfs/dbraw/zinc/00/82/78/385008278.db2.gz ZKSLAUCQHXZILY-VIFPVBQESA-N 1 2 233.340 3.328 20 0 BGADLO Cc1nc([C@@H](C)Nc2ccc(C)[nH+]c2)cs1 ZINC000164551915 385009856 /nfs/dbraw/zinc/00/98/56/385009856.db2.gz ZKSLAUCQHXZILY-SECBINFHSA-N 1 2 233.340 3.328 20 0 BGADLO Cc1ccc(N[C@@H](C)c2ccoc2)c[nH+]1 ZINC000164561304 388380631 /nfs/dbraw/zinc/38/06/31/388380631.db2.gz SBQDHVDTGMASKP-JTQLQIEISA-N 1 2 202.257 3.156 20 0 BGADLO Cc1ccc(N[C@H](C)c2ccoc2)c[nH+]1 ZINC000164561433 323077256 /nfs/dbraw/zinc/07/72/56/323077256.db2.gz SBQDHVDTGMASKP-SNVBAGLBSA-N 1 2 202.257 3.156 20 0 BGADLO Cc1ccoc1C[NH2+]C(C)(C)c1nccs1 ZINC000164582327 385019766 /nfs/dbraw/zinc/01/97/66/385019766.db2.gz VZGAADVBAFHSFA-UHFFFAOYSA-N 1 2 236.340 3.069 20 0 BGADLO Cc1ccc(N[C@@H]2CCC(C)(C)C2)c[nH+]1 ZINC000164701840 388246894 /nfs/dbraw/zinc/24/68/94/388246894.db2.gz CYUVUKJITYOAPS-LLVKDONJSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@H]2CCC(C)(C)C2)c[nH+]1 ZINC000164701957 388246878 /nfs/dbraw/zinc/24/68/78/388246878.db2.gz CYUVUKJITYOAPS-NSHDSACASA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(NCc2cc(C)c(O)c(C)c2)c[nH+]1 ZINC000164711508 385032556 /nfs/dbraw/zinc/03/25/56/385032556.db2.gz KMUFMWGVKWVNER-UHFFFAOYSA-N 1 2 242.322 3.325 20 0 BGADLO Cc1ccc(N[C@@H]2CCc3ccccc3C2)c[nH+]1 ZINC000164722389 203367063 /nfs/dbraw/zinc/36/70/63/203367063.db2.gz JDSIWOAYDUAEOO-OAHLLOKOSA-N 1 2 238.334 3.359 20 0 BGADLO Cc1ccc(N[C@H]2CCc3ccccc3C2)c[nH+]1 ZINC000164722489 203367054 /nfs/dbraw/zinc/36/70/54/203367054.db2.gz JDSIWOAYDUAEOO-HNNXBMFYSA-N 1 2 238.334 3.359 20 0 BGADLO Cc1ccc(N[C@@H]2CCCC2(C)C)c[nH+]1 ZINC000164749300 388247602 /nfs/dbraw/zinc/24/76/02/388247602.db2.gz LBTHNUSRLWRXCO-GFCCVEGCSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@H]2CCCC2(C)C)c[nH+]1 ZINC000164749403 388247668 /nfs/dbraw/zinc/24/76/68/388247668.db2.gz LBTHNUSRLWRXCO-LBPRGKRZSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@@H]2CCO[C@H](C(C)C)C2)c[nH+]1 ZINC000164813090 386325689 /nfs/dbraw/zinc/32/56/89/386325689.db2.gz WYSCBGWYHOORLK-OCCSQVGLSA-N 1 2 234.343 3.006 20 0 BGADLO Cc1ccc(N[C@H]2CCO[C@H](C(C)C)C2)c[nH+]1 ZINC000164813218 386326993 /nfs/dbraw/zinc/32/69/93/386326993.db2.gz WYSCBGWYHOORLK-JSGCOSHPSA-N 1 2 234.343 3.006 20 0 BGADLO Cc1ccc(N[C@@H]2CCO[C@@H](C(C)C)C2)c[nH+]1 ZINC000164813330 386327343 /nfs/dbraw/zinc/32/73/43/386327343.db2.gz WYSCBGWYHOORLK-TZMCWYRMSA-N 1 2 234.343 3.006 20 0 BGADLO Cc1ccc(N[C@H]2CCO[C@@H](C(C)C)C2)c[nH+]1 ZINC000164813465 135443215 /nfs/dbraw/zinc/44/32/15/135443215.db2.gz WYSCBGWYHOORLK-GXTWGEPZSA-N 1 2 234.343 3.006 20 0 BGADLO Cc1ccc(N[C@@H](C)C2CCCC2)c[nH+]1 ZINC000164841951 203382035 /nfs/dbraw/zinc/38/20/35/203382035.db2.gz QNEBTZOXQKVAAH-NSHDSACASA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@H](C)C2CCCC2)c[nH+]1 ZINC000164842071 203381782 /nfs/dbraw/zinc/38/17/82/203381782.db2.gz QNEBTZOXQKVAAH-LLVKDONJSA-N 1 2 204.317 3.381 20 0 BGADLO COc1ccc([NH2+][C@@H](C)CC2CC2)c(OC)c1 ZINC000164904979 640514133 /nfs/dbraw/zinc/51/41/33/640514133.db2.gz QLTYVOIUYJGDDU-JTQLQIEISA-N 1 2 235.327 3.304 20 0 BGADLO COc1ccc([NH2+][C@H](C)CC2CC2)c(OC)c1 ZINC000164905113 640514181 /nfs/dbraw/zinc/51/41/81/640514181.db2.gz QLTYVOIUYJGDDU-SNVBAGLBSA-N 1 2 235.327 3.304 20 0 BGADLO CCOc1ccc([NH2+][C@@H](C)[C@@H]2CCOC2)c(C)c1 ZINC000164941406 170553633 /nfs/dbraw/zinc/55/36/33/170553633.db2.gz LABRDJVSRMBRDK-QWHCGFSZSA-N 1 2 249.354 3.231 20 0 BGADLO CCOc1ccc([NH2+][C@H](C)[C@@H]2CCOC2)c(C)c1 ZINC000164941516 385054599 /nfs/dbraw/zinc/05/45/99/385054599.db2.gz LABRDJVSRMBRDK-CHWSQXEVSA-N 1 2 249.354 3.231 20 0 BGADLO CCOc1ccc([NH2+][C@@H](C)[C@H]2CCOC2)c(C)c1 ZINC000164941633 170553548 /nfs/dbraw/zinc/55/35/48/170553548.db2.gz LABRDJVSRMBRDK-STQMWFEESA-N 1 2 249.354 3.231 20 0 BGADLO CCOc1ccc([NH2+][C@H](C)[C@H]2CCOC2)c(C)c1 ZINC000164941757 170553662 /nfs/dbraw/zinc/55/36/62/170553662.db2.gz LABRDJVSRMBRDK-OLZOCXBDSA-N 1 2 249.354 3.231 20 0 BGADLO CCOC[C@@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000164983804 640524947 /nfs/dbraw/zinc/52/49/47/640524947.db2.gz ZSNVKZKZBLKRCW-CYBMUJFWSA-N 1 2 248.370 3.124 20 0 BGADLO CCOC[C@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000164983927 640525925 /nfs/dbraw/zinc/52/59/25/640525925.db2.gz ZSNVKZKZBLKRCW-ZDUSSCGKSA-N 1 2 248.370 3.124 20 0 BGADLO CO[C@H](C)[C@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000164985006 640525967 /nfs/dbraw/zinc/52/59/67/640525967.db2.gz OZHOKTDHZPDKHT-QWHCGFSZSA-N 1 2 248.370 3.122 20 0 BGADLO CO[C@H](C)[C@@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000164985130 640525725 /nfs/dbraw/zinc/52/57/25/640525725.db2.gz OZHOKTDHZPDKHT-CHWSQXEVSA-N 1 2 248.370 3.122 20 0 BGADLO CO[C@@H](C)[C@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000164985259 633084370 /nfs/dbraw/zinc/08/43/70/633084370.db2.gz OZHOKTDHZPDKHT-STQMWFEESA-N 1 2 248.370 3.122 20 0 BGADLO CO[C@@H](C)[C@@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000164985386 640525572 /nfs/dbraw/zinc/52/55/72/640525572.db2.gz OZHOKTDHZPDKHT-OLZOCXBDSA-N 1 2 248.370 3.122 20 0 BGADLO C[C@@H](CC1CC1)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000165041696 229172053 /nfs/dbraw/zinc/17/20/53/229172053.db2.gz ICPBZYINKMCINY-LBPRGKRZSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@H](CC1CC1)[NH2+]c1ccc(-n2cccn2)cc1 ZINC000165041763 533767237 /nfs/dbraw/zinc/76/72/37/533767237.db2.gz ICPBZYINKMCINY-GFCCVEGCSA-N 1 2 241.338 3.473 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000165055293 167297206 /nfs/dbraw/zinc/29/72/06/167297206.db2.gz AJLDPYLKLRNPEC-QWHCGFSZSA-N 1 2 249.354 3.311 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000165055414 167297782 /nfs/dbraw/zinc/29/77/82/167297782.db2.gz AJLDPYLKLRNPEC-CHWSQXEVSA-N 1 2 249.354 3.311 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000165055529 167297434 /nfs/dbraw/zinc/29/74/34/167297434.db2.gz AJLDPYLKLRNPEC-STQMWFEESA-N 1 2 249.354 3.311 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000165055659 167297690 /nfs/dbraw/zinc/29/76/90/167297690.db2.gz AJLDPYLKLRNPEC-OLZOCXBDSA-N 1 2 249.354 3.311 20 0 BGADLO C[C@@H](CC1CC1)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000165316921 203383277 /nfs/dbraw/zinc/38/32/77/203383277.db2.gz LGGBZWJZXZBCPL-LBPRGKRZSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H](CC1CC1)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000165317046 387520655 /nfs/dbraw/zinc/52/06/55/387520655.db2.gz LGGBZWJZXZBCPL-GFCCVEGCSA-N 1 2 245.370 3.282 20 0 BGADLO CCCOc1ccc([NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000165340006 169319832 /nfs/dbraw/zinc/31/98/32/169319832.db2.gz BWUICJXCXFUUDE-QWHCGFSZSA-N 1 2 249.354 3.312 20 0 BGADLO CCCOc1ccc([NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000165340145 169319767 /nfs/dbraw/zinc/31/97/67/169319767.db2.gz BWUICJXCXFUUDE-CHWSQXEVSA-N 1 2 249.354 3.312 20 0 BGADLO CCCOc1ccc([NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000165340264 169320044 /nfs/dbraw/zinc/32/00/44/169320044.db2.gz BWUICJXCXFUUDE-STQMWFEESA-N 1 2 249.354 3.312 20 0 BGADLO CCCOc1ccc([NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000165340384 169319973 /nfs/dbraw/zinc/31/99/73/169319973.db2.gz BWUICJXCXFUUDE-OLZOCXBDSA-N 1 2 249.354 3.312 20 0 BGADLO Cc1cnc(C(C)(C)[NH2+]Cc2ccoc2)s1 ZINC000165510740 633093117 /nfs/dbraw/zinc/09/31/17/633093117.db2.gz NAVOCINJCTVZET-UHFFFAOYSA-N 1 2 236.340 3.069 20 0 BGADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1cscn1 ZINC000165511156 385139240 /nfs/dbraw/zinc/13/92/40/385139240.db2.gz WXVVAQKNAKNVGD-JTQLQIEISA-N 1 2 247.367 3.382 20 0 BGADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1cscn1 ZINC000165511285 385139933 /nfs/dbraw/zinc/13/99/33/385139933.db2.gz WXVVAQKNAKNVGD-SNVBAGLBSA-N 1 2 247.367 3.382 20 0 BGADLO CCOc1ccc([NH2+][C@@H](C)CC2CC2)cc1CO ZINC000165728784 386547247 /nfs/dbraw/zinc/54/72/47/386547247.db2.gz YMKBXIZAMOPRAA-NSHDSACASA-N 1 2 249.354 3.178 20 0 BGADLO CCOc1ccc([NH2+][C@H](C)CC2CC2)cc1CO ZINC000165728903 386547092 /nfs/dbraw/zinc/54/70/92/386547092.db2.gz YMKBXIZAMOPRAA-LLVKDONJSA-N 1 2 249.354 3.178 20 0 BGADLO CC(C)(C)c1ccc(C[NH2+]Cc2c[nH]cn2)s1 ZINC000166044426 633105743 /nfs/dbraw/zinc/10/57/43/633105743.db2.gz CDKJMXWFKXSTBP-UHFFFAOYSA-N 1 2 249.383 3.059 20 0 BGADLO CCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000166101769 345721085 /nfs/dbraw/zinc/72/10/85/345721085.db2.gz KRJDBGAAWKDMCW-UHFFFAOYSA-N 1 2 212.296 3.108 20 0 BGADLO CC(C)c1csc(C[NH2+]Cc2ccoc2)n1 ZINC000166152952 633107633 /nfs/dbraw/zinc/10/76/33/633107633.db2.gz XQLVKBXKQGDYOA-UHFFFAOYSA-N 1 2 236.340 3.149 20 0 BGADLO CC(C)(C)CNc1[nH]c2cc(F)ccc2[nH+]1 ZINC000166205532 534613843 /nfs/dbraw/zinc/61/38/43/534613843.db2.gz NGGOMFGYLAUTGO-UHFFFAOYSA-N 1 2 221.279 3.160 20 0 BGADLO C[C@H](Nc1ccc2ccccc2[nH+]1)[C@@H]1CCOC1 ZINC000166425759 386928497 /nfs/dbraw/zinc/92/84/97/386928497.db2.gz FECVQPYUDYOHTG-WCQYABFASA-N 1 2 242.322 3.072 20 0 BGADLO C[C@@H](Nc1ccc2ccccc2[nH+]1)[C@@H]1CCOC1 ZINC000166425873 386928088 /nfs/dbraw/zinc/92/80/88/386928088.db2.gz FECVQPYUDYOHTG-DGCLKSJQSA-N 1 2 242.322 3.072 20 0 BGADLO C[C@H](Nc1ccc2ccccc2[nH+]1)[C@H]1CCOC1 ZINC000166425990 386927613 /nfs/dbraw/zinc/92/76/13/386927613.db2.gz FECVQPYUDYOHTG-AAEUAGOBSA-N 1 2 242.322 3.072 20 0 BGADLO C[C@@H](Nc1ccc2ccccc2[nH+]1)[C@H]1CCOC1 ZINC000166426122 175932097 /nfs/dbraw/zinc/93/20/97/175932097.db2.gz FECVQPYUDYOHTG-YPMHNXCESA-N 1 2 242.322 3.072 20 0 BGADLO CC[C@H]([NH2+]Cc1cn[nH]c1C)c1cccc(F)c1 ZINC000166531259 385249598 /nfs/dbraw/zinc/24/95/98/385249598.db2.gz YQMWNRRQKRIRQP-AWEZNQCLSA-N 1 2 247.317 3.098 20 0 BGADLO CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1cccc(F)c1 ZINC000166531365 346679667 /nfs/dbraw/zinc/67/96/67/346679667.db2.gz YQMWNRRQKRIRQP-CQSZACIVSA-N 1 2 247.317 3.098 20 0 BGADLO CC1CC([NH2+]CCSc2ccccc2)C1 ZINC000166615147 136361680 /nfs/dbraw/zinc/36/16/80/136361680.db2.gz FCLWDBMIORQUFZ-UHFFFAOYSA-N 1 2 221.369 3.167 20 0 BGADLO CC[C@H]([NH2+]Cc1ccon1)c1cccc(F)c1 ZINC000166633811 633118733 /nfs/dbraw/zinc/11/87/33/633118733.db2.gz MMJIHYBUILGPEP-ZDUSSCGKSA-N 1 2 234.274 3.055 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccon1)c1cccc(F)c1 ZINC000166633904 633119759 /nfs/dbraw/zinc/11/97/59/633119759.db2.gz MMJIHYBUILGPEP-CYBMUJFWSA-N 1 2 234.274 3.055 20 0 BGADLO CCOC(C)(C)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000166942926 136368104 /nfs/dbraw/zinc/36/81/04/136368104.db2.gz WSNTZERFFBWCCH-YNEHKIRRSA-N 1 2 227.392 3.216 20 0 BGADLO CCOC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000166943074 136368081 /nfs/dbraw/zinc/36/80/81/136368081.db2.gz WSNTZERFFBWCCH-JHJVBQTASA-N 1 2 227.392 3.216 20 0 BGADLO C[C@@H]1C[C@@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000167110349 355957887 /nfs/dbraw/zinc/95/78/87/355957887.db2.gz YYNSQNLNUSCJBX-HTQZYQBOSA-N 1 2 230.233 3.168 20 0 BGADLO C[C@H]1C[C@@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000167110455 355957825 /nfs/dbraw/zinc/95/78/25/355957825.db2.gz YYNSQNLNUSCJBX-JGVFFNPUSA-N 1 2 230.233 3.168 20 0 BGADLO C[C@@H]1C[C@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000167110555 355958075 /nfs/dbraw/zinc/95/80/75/355958075.db2.gz YYNSQNLNUSCJBX-SFYZADRCSA-N 1 2 230.233 3.168 20 0 BGADLO C[C@H]1C[C@H]1CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000167110660 355958209 /nfs/dbraw/zinc/95/82/09/355958209.db2.gz YYNSQNLNUSCJBX-YUMQZZPRSA-N 1 2 230.233 3.168 20 0 BGADLO C[C@@H]1C[C@@H]1CNc1ccc2ccccc2[nH+]1 ZINC000167130392 206145646 /nfs/dbraw/zinc/14/56/46/206145646.db2.gz JZVHSEUKKWCYMG-ZYHUDNBSSA-N 1 2 212.296 3.303 20 0 BGADLO C[C@H]1C[C@@H]1CNc1ccc2ccccc2[nH+]1 ZINC000167130456 323409006 /nfs/dbraw/zinc/40/90/06/323409006.db2.gz JZVHSEUKKWCYMG-CMPLNLGQSA-N 1 2 212.296 3.303 20 0 BGADLO C[C@@H]1C[C@H]1CNc1ccc2ccccc2[nH+]1 ZINC000167130525 206146025 /nfs/dbraw/zinc/14/60/25/206146025.db2.gz JZVHSEUKKWCYMG-PWSUYJOCSA-N 1 2 212.296 3.303 20 0 BGADLO C[C@H]1C[C@H]1CNc1ccc2ccccc2[nH+]1 ZINC000167130584 206143353 /nfs/dbraw/zinc/14/33/53/206143353.db2.gz JZVHSEUKKWCYMG-JQWIXIFHSA-N 1 2 212.296 3.303 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccoc2)cs1 ZINC000167460780 538941583 /nfs/dbraw/zinc/94/15/83/538941583.db2.gz NPBBCIPFPLKGDW-DTWKUNHWSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccoc2)cs1 ZINC000167460881 538942075 /nfs/dbraw/zinc/94/20/75/538942075.db2.gz NPBBCIPFPLKGDW-IUCAKERBSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccoc2)cs1 ZINC000167460978 538942044 /nfs/dbraw/zinc/94/20/44/538942044.db2.gz NPBBCIPFPLKGDW-RKDXNWHRSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccoc2)cs1 ZINC000167461074 538942106 /nfs/dbraw/zinc/94/21/06/538942106.db2.gz NPBBCIPFPLKGDW-BDAKNGLRSA-N 1 2 236.340 3.456 20 0 BGADLO CC[C@H]([NH2+]CC(F)F)c1ccccc1F ZINC000168120008 487484131 /nfs/dbraw/zinc/48/41/31/487484131.db2.gz OAESVLHIRHCWRK-JTQLQIEISA-N 1 2 217.234 3.132 20 0 BGADLO CC[C@@H]([NH2+]CC(F)F)c1ccccc1F ZINC000168120098 487483633 /nfs/dbraw/zinc/48/36/33/487483633.db2.gz OAESVLHIRHCWRK-SNVBAGLBSA-N 1 2 217.234 3.132 20 0 BGADLO CCc1cnc(C[NH2+][C@@H](C)c2ccoc2)s1 ZINC000168410237 364922696 /nfs/dbraw/zinc/92/26/96/364922696.db2.gz TUOZXYUOYUSRNP-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO CCc1cnc(C[NH2+][C@H](C)c2ccoc2)s1 ZINC000168410330 364922571 /nfs/dbraw/zinc/92/25/71/364922571.db2.gz TUOZXYUOYUSRNP-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO CC(C)OCCNc1ccc2ccccc2[nH+]1 ZINC000168646197 167246647 /nfs/dbraw/zinc/24/66/47/167246647.db2.gz ATRJBSJLPLEFIA-UHFFFAOYSA-N 1 2 230.311 3.072 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NCCOC(C)C ZINC000168650352 178298703 /nfs/dbraw/zinc/29/87/03/178298703.db2.gz GMGWXQZZBHRLPE-UHFFFAOYSA-N 1 2 244.338 3.380 20 0 BGADLO CC(C)(C)Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000168843081 487542828 /nfs/dbraw/zinc/54/28/28/487542828.db2.gz CGUAJNMXXBNMCU-UHFFFAOYSA-N 1 2 216.284 3.254 20 0 BGADLO COc1cc(C)[nH+]c(COc2ccccc2F)c1 ZINC000168874764 536695302 /nfs/dbraw/zinc/69/53/02/536695302.db2.gz UYIALCVWGYRLGL-UHFFFAOYSA-N 1 2 247.269 3.117 20 0 BGADLO COc1ccc[nH+]c1NCc1cccc(Cl)c1 ZINC000169026619 365058749 /nfs/dbraw/zinc/05/87/49/365058749.db2.gz JNQOTLMMBURWBT-UHFFFAOYSA-N 1 2 248.713 3.356 20 0 BGADLO COc1ccc[nH+]c1NCc1ccccc1Cl ZINC000169026716 365059541 /nfs/dbraw/zinc/05/95/41/365059541.db2.gz FIOIBRJZZBVSKA-UHFFFAOYSA-N 1 2 248.713 3.356 20 0 BGADLO COc1ccc[nH+]c1NCc1ccc(C)cc1 ZINC000169026905 365059545 /nfs/dbraw/zinc/05/95/45/365059545.db2.gz HQWLFWONGUYJJQ-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO COc1ccc[nH+]c1NCc1ccccc1C ZINC000169027581 344848061 /nfs/dbraw/zinc/84/80/61/344848061.db2.gz NYUSEFZICSJDNU-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO COc1ccc[nH+]c1NCc1ccc(Cl)cc1 ZINC000169028093 365058844 /nfs/dbraw/zinc/05/88/44/365058844.db2.gz LLRCXKJMYXHWHK-UHFFFAOYSA-N 1 2 248.713 3.356 20 0 BGADLO COc1ccc[nH+]c1NCc1cccc(C)c1 ZINC000169028377 365059518 /nfs/dbraw/zinc/05/95/18/365059518.db2.gz ZJYGUIUAFWXXOH-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO COc1ccc[nH+]c1N[C@@H](C)CCc1ccco1 ZINC000169140440 538946944 /nfs/dbraw/zinc/94/69/44/538946944.db2.gz PBJAYVWDKAXJID-NSHDSACASA-N 1 2 246.310 3.116 20 0 BGADLO COc1ccc[nH+]c1N[C@H](C)CCc1ccco1 ZINC000169140525 538946748 /nfs/dbraw/zinc/94/67/48/538946748.db2.gz PBJAYVWDKAXJID-LLVKDONJSA-N 1 2 246.310 3.116 20 0 BGADLO COc1ccc[nH+]c1N[C@@H](C)Cc1ccsc1 ZINC000169140949 365080947 /nfs/dbraw/zinc/08/09/47/365080947.db2.gz DINUHCDFTUJWSE-JTQLQIEISA-N 1 2 248.351 3.195 20 0 BGADLO COc1ccc[nH+]c1N[C@H](C)Cc1ccsc1 ZINC000169141028 365080728 /nfs/dbraw/zinc/08/07/28/365080728.db2.gz DINUHCDFTUJWSE-SNVBAGLBSA-N 1 2 248.351 3.195 20 0 BGADLO CC[C@@H]1CCCCN1c1[nH]c2ccccc2[nH+]1 ZINC000169176588 345723832 /nfs/dbraw/zinc/72/38/32/345723832.db2.gz SNSLEVHYLQEVRF-LLVKDONJSA-N 1 2 229.327 3.332 20 0 BGADLO CC[C@H]1CCCCN1c1[nH]c2ccccc2[nH+]1 ZINC000169176664 345723681 /nfs/dbraw/zinc/72/36/81/345723681.db2.gz SNSLEVHYLQEVRF-NSHDSACASA-N 1 2 229.327 3.332 20 0 BGADLO CC(C)c1cc(C[NH2+][C@@H](C)c2ccco2)on1 ZINC000169259972 538946876 /nfs/dbraw/zinc/94/68/76/538946876.db2.gz UWAXQFRFDVMFCD-JTQLQIEISA-N 1 2 234.299 3.242 20 0 BGADLO CC(C)c1cc(C[NH2+][C@H](C)c2ccco2)on1 ZINC000169260055 538946767 /nfs/dbraw/zinc/94/67/67/538946767.db2.gz UWAXQFRFDVMFCD-SNVBAGLBSA-N 1 2 234.299 3.242 20 0 BGADLO CC1(CNc2cc[nH+]c(C3CC3)n2)CCCC1 ZINC000170624887 168048784 /nfs/dbraw/zinc/04/87/84/168048784.db2.gz HCBSQECIUGNAAK-UHFFFAOYSA-N 1 2 231.343 3.346 20 0 BGADLO C[C@@H]1CCCC[C@@H]1N(C)c1cc[nH+]c(C2CC2)n1 ZINC000170626378 176079254 /nfs/dbraw/zinc/07/92/54/176079254.db2.gz OSMPMKDRUNQFHX-YPMHNXCESA-N 1 2 245.370 3.369 20 0 BGADLO C[C@H]1CCCC[C@@H]1N(C)c1cc[nH+]c(C2CC2)n1 ZINC000170626379 177081937 /nfs/dbraw/zinc/08/19/37/177081937.db2.gz OSMPMKDRUNQFHX-AAEUAGOBSA-N 1 2 245.370 3.369 20 0 BGADLO C[C@@H]1CCCC[C@H]1N(C)c1cc[nH+]c(C2CC2)n1 ZINC000170626380 176086736 /nfs/dbraw/zinc/08/67/36/176086736.db2.gz OSMPMKDRUNQFHX-DGCLKSJQSA-N 1 2 245.370 3.369 20 0 BGADLO C[C@H]1CCCC[C@H]1N(C)c1cc[nH+]c(C2CC2)n1 ZINC000170626381 177087388 /nfs/dbraw/zinc/08/73/88/177087388.db2.gz OSMPMKDRUNQFHX-WCQYABFASA-N 1 2 245.370 3.369 20 0 BGADLO Cc1cc(C[N@H+]2CCc3ccccc3[C@@H]2C)no1 ZINC000170954833 178003900 /nfs/dbraw/zinc/00/39/00/178003900.db2.gz DCRMSWORFYKKNA-LBPRGKRZSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2C)no1 ZINC000170954833 178003898 /nfs/dbraw/zinc/00/38/98/178003898.db2.gz DCRMSWORFYKKNA-LBPRGKRZSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cc(C[N@H+]2CCc3ccccc3[C@H]2C)no1 ZINC000170954836 178002875 /nfs/dbraw/zinc/00/28/75/178002875.db2.gz DCRMSWORFYKKNA-GFCCVEGCSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cc(C[N@@H+]2CCc3ccccc3[C@H]2C)no1 ZINC000170954836 178002872 /nfs/dbraw/zinc/00/28/72/178002872.db2.gz DCRMSWORFYKKNA-GFCCVEGCSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)CCc1cccs1 ZINC000170957285 346490306 /nfs/dbraw/zinc/49/03/06/346490306.db2.gz HDIOEHFMRJZSSE-UHFFFAOYSA-N 1 2 246.335 3.023 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2cscn2)s1 ZINC000171161334 365172429 /nfs/dbraw/zinc/17/24/29/365172429.db2.gz KBTJPWYBNBAMHT-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2cscn2)s1 ZINC000171161334 365172425 /nfs/dbraw/zinc/17/24/25/365172425.db2.gz KBTJPWYBNBAMHT-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Fc1ccc(F)c(C[NH+]2Cc3ccccc3C2)c1 ZINC000171573342 134259135 /nfs/dbraw/zinc/25/91/35/134259135.db2.gz FISLFNIGNORNCI-UHFFFAOYSA-N 1 2 245.272 3.481 20 0 BGADLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cscn1 ZINC000171629524 385501030 /nfs/dbraw/zinc/50/10/30/385501030.db2.gz MYRWOVYJGWYDNM-LLVKDONJSA-N 1 2 244.363 3.262 20 0 BGADLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cscn1 ZINC000171629524 385501027 /nfs/dbraw/zinc/50/10/27/385501027.db2.gz MYRWOVYJGWYDNM-LLVKDONJSA-N 1 2 244.363 3.262 20 0 BGADLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cscn1 ZINC000171629526 385502023 /nfs/dbraw/zinc/50/20/23/385502023.db2.gz MYRWOVYJGWYDNM-NSHDSACASA-N 1 2 244.363 3.262 20 0 BGADLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cscn1 ZINC000171629526 385502019 /nfs/dbraw/zinc/50/20/19/385502019.db2.gz MYRWOVYJGWYDNM-NSHDSACASA-N 1 2 244.363 3.262 20 0 BGADLO FC(F)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000171668491 372726199 /nfs/dbraw/zinc/72/61/99/372726199.db2.gz PRLZQYGYDKSPMV-UHFFFAOYSA-N 1 2 239.309 3.206 20 0 BGADLO COc1ccc([C@@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000171668602 372725981 /nfs/dbraw/zinc/72/59/81/372725981.db2.gz DHYUZCRKPFXMJS-LBPRGKRZSA-N 1 2 241.281 3.097 20 0 BGADLO COc1ccc([C@@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000171668602 372725974 /nfs/dbraw/zinc/72/59/74/372725974.db2.gz DHYUZCRKPFXMJS-LBPRGKRZSA-N 1 2 241.281 3.097 20 0 BGADLO COc1ccc([C@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000171668605 363925301 /nfs/dbraw/zinc/92/53/01/363925301.db2.gz DHYUZCRKPFXMJS-GFCCVEGCSA-N 1 2 241.281 3.097 20 0 BGADLO COc1ccc([C@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000171668605 363925292 /nfs/dbraw/zinc/92/52/92/363925292.db2.gz DHYUZCRKPFXMJS-GFCCVEGCSA-N 1 2 241.281 3.097 20 0 BGADLO FC(F)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000171668621 372725564 /nfs/dbraw/zinc/72/55/64/372725564.db2.gz GOVPVHXOXVDCDE-QMMMGPOBSA-N 1 2 217.284 3.150 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000171668621 372725556 /nfs/dbraw/zinc/72/55/56/372725556.db2.gz GOVPVHXOXVDCDE-QMMMGPOBSA-N 1 2 217.284 3.150 20 0 BGADLO FC(F)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000171668625 372725809 /nfs/dbraw/zinc/72/58/09/372725809.db2.gz GOVPVHXOXVDCDE-MRVPVSSYSA-N 1 2 217.284 3.150 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000171668625 372725801 /nfs/dbraw/zinc/72/58/01/372725801.db2.gz GOVPVHXOXVDCDE-MRVPVSSYSA-N 1 2 217.284 3.150 20 0 BGADLO CC[N@@H+](CC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000171669273 372726417 /nfs/dbraw/zinc/72/64/17/372726417.db2.gz YNIXUJZSEFVQEK-JTQLQIEISA-N 1 2 243.297 3.343 20 0 BGADLO CC[N@H+](CC(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000171669273 372726406 /nfs/dbraw/zinc/72/64/06/372726406.db2.gz YNIXUJZSEFVQEK-JTQLQIEISA-N 1 2 243.297 3.343 20 0 BGADLO CC[N@@H+](CC(F)F)[C@H](C)c1cccc(OC)c1 ZINC000171669278 372726005 /nfs/dbraw/zinc/72/60/05/372726005.db2.gz YNIXUJZSEFVQEK-SNVBAGLBSA-N 1 2 243.297 3.343 20 0 BGADLO CC[N@H+](CC(F)F)[C@H](C)c1cccc(OC)c1 ZINC000171669278 372725998 /nfs/dbraw/zinc/72/59/98/372725998.db2.gz YNIXUJZSEFVQEK-SNVBAGLBSA-N 1 2 243.297 3.343 20 0 BGADLO Cc1ccc([C@@H](C)[N@@H+](C)CC(F)F)cc1 ZINC000171669315 346833043 /nfs/dbraw/zinc/83/30/43/346833043.db2.gz IURHGNFVQGESDL-SNVBAGLBSA-N 1 2 213.271 3.253 20 0 BGADLO Cc1ccc([C@@H](C)[N@H+](C)CC(F)F)cc1 ZINC000171669315 346833041 /nfs/dbraw/zinc/83/30/41/346833041.db2.gz IURHGNFVQGESDL-SNVBAGLBSA-N 1 2 213.271 3.253 20 0 BGADLO Cc1ccc([C@H](C)[N@@H+](C)CC(F)F)cc1 ZINC000171669317 372726721 /nfs/dbraw/zinc/72/67/21/372726721.db2.gz IURHGNFVQGESDL-JTQLQIEISA-N 1 2 213.271 3.253 20 0 BGADLO Cc1ccc([C@H](C)[N@H+](C)CC(F)F)cc1 ZINC000171669317 372726717 /nfs/dbraw/zinc/72/67/17/372726717.db2.gz IURHGNFVQGESDL-JTQLQIEISA-N 1 2 213.271 3.253 20 0 BGADLO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(F)F ZINC000171669434 363928483 /nfs/dbraw/zinc/92/84/83/363928483.db2.gz WMBWTGNSFQEBLB-LBPRGKRZSA-N 1 2 225.282 3.397 20 0 BGADLO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC(F)F ZINC000171669434 363928479 /nfs/dbraw/zinc/92/84/79/363928479.db2.gz WMBWTGNSFQEBLB-LBPRGKRZSA-N 1 2 225.282 3.397 20 0 BGADLO Cc1ccccc1[C@H]1CCC[N@H+]1CC(F)F ZINC000171669437 363928584 /nfs/dbraw/zinc/92/85/84/363928584.db2.gz WMBWTGNSFQEBLB-GFCCVEGCSA-N 1 2 225.282 3.397 20 0 BGADLO Cc1ccccc1[C@H]1CCC[N@@H+]1CC(F)F ZINC000171669437 363928581 /nfs/dbraw/zinc/92/85/81/363928581.db2.gz WMBWTGNSFQEBLB-GFCCVEGCSA-N 1 2 225.282 3.397 20 0 BGADLO FC(F)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000171669563 372728044 /nfs/dbraw/zinc/72/80/44/372728044.db2.gz RWVBAWIUZZJGAU-ZDUSSCGKSA-N 1 2 237.293 3.403 20 0 BGADLO FC(F)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000171669563 372728039 /nfs/dbraw/zinc/72/80/39/372728039.db2.gz RWVBAWIUZZJGAU-ZDUSSCGKSA-N 1 2 237.293 3.403 20 0 BGADLO FC(F)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000171669565 372728184 /nfs/dbraw/zinc/72/81/84/372728184.db2.gz RWVBAWIUZZJGAU-CYBMUJFWSA-N 1 2 237.293 3.403 20 0 BGADLO FC(F)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000171669565 372728177 /nfs/dbraw/zinc/72/81/77/372728177.db2.gz RWVBAWIUZZJGAU-CYBMUJFWSA-N 1 2 237.293 3.403 20 0 BGADLO CC(C)c1nc(N[C@@H](C)c2ccccn2)cc[nH+]1 ZINC000171675286 534911090 /nfs/dbraw/zinc/91/10/90/534911090.db2.gz JKTCPNBFVFVNEN-NSHDSACASA-N 1 2 242.326 3.168 20 0 BGADLO CC(C)c1nc(N[C@H](C)c2ccccn2)cc[nH+]1 ZINC000171675290 534912207 /nfs/dbraw/zinc/91/22/07/534912207.db2.gz JKTCPNBFVFVNEN-LLVKDONJSA-N 1 2 242.326 3.168 20 0 BGADLO Cc1ccc(Cc2nc(C3CCCC3)no2)c[nH+]1 ZINC000171793385 385517174 /nfs/dbraw/zinc/51/71/74/385517174.db2.gz DBXBSWXJMSKNHD-UHFFFAOYSA-N 1 2 243.310 3.021 20 0 BGADLO CC(C)c1nc(NC(C2CC2)C2CC2)cc[nH+]1 ZINC000171813271 365243176 /nfs/dbraw/zinc/24/31/76/365243176.db2.gz JXKLVHUCULXMSL-UHFFFAOYSA-N 1 2 231.343 3.201 20 0 BGADLO CC(C)c1nc(NCCc2ccsc2)cc[nH+]1 ZINC000171813979 365243183 /nfs/dbraw/zinc/24/31/83/365243183.db2.gz AIVBTLDFPDWUJW-UHFFFAOYSA-N 1 2 247.367 3.316 20 0 BGADLO Cc1ccc([N@@H+](C)CC2CCOCC2)c(C)c1 ZINC000171825400 641015239 /nfs/dbraw/zinc/01/52/39/641015239.db2.gz JGHJKICOKJNJKH-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc([N@H+](C)CC2CCOCC2)c(C)c1 ZINC000171825400 641015236 /nfs/dbraw/zinc/01/52/36/641015236.db2.gz JGHJKICOKJNJKH-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@@H+](CC1CCOCC1)c1ccccc1C ZINC000171825420 365245583 /nfs/dbraw/zinc/24/55/83/365245583.db2.gz HEHCYBJWILFYJC-UHFFFAOYSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](CC1CCOCC1)c1ccccc1C ZINC000171825420 365245580 /nfs/dbraw/zinc/24/55/80/365245580.db2.gz HEHCYBJWILFYJC-UHFFFAOYSA-N 1 2 233.355 3.248 20 0 BGADLO Cc1ccc(C)c([N@@H+](C)CC2CCOCC2)c1 ZINC000171825451 372785832 /nfs/dbraw/zinc/78/58/32/372785832.db2.gz WHEKQVAHRNXWJV-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc(C)c([N@H+](C)CC2CCOCC2)c1 ZINC000171825451 372785827 /nfs/dbraw/zinc/78/58/27/372785827.db2.gz WHEKQVAHRNXWJV-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cccc([N@@H+](C)CC2CCOCC2)c1C ZINC000171825456 365245273 /nfs/dbraw/zinc/24/52/73/365245273.db2.gz PMEJRNRPSAHHIK-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cccc([N@H+](C)CC2CCOCC2)c1C ZINC000171825456 365245268 /nfs/dbraw/zinc/24/52/68/365245268.db2.gz PMEJRNRPSAHHIK-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cc(C)cc([N@@H+](C)CC2CCOCC2)c1 ZINC000171825460 372786059 /nfs/dbraw/zinc/78/60/59/372786059.db2.gz MAUGAIYGFPCSLE-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cc(C)cc([N@H+](C)CC2CCOCC2)c1 ZINC000171825460 372786051 /nfs/dbraw/zinc/78/60/51/372786051.db2.gz MAUGAIYGFPCSLE-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO CC(C)[N@@H+](CC1CCOCC1)c1ccccc1 ZINC000171825640 346839962 /nfs/dbraw/zinc/83/99/62/346839962.db2.gz OQELSGIINDPPEU-UHFFFAOYSA-N 1 2 233.355 3.328 20 0 BGADLO CC(C)[N@H+](CC1CCOCC1)c1ccccc1 ZINC000171825640 346839957 /nfs/dbraw/zinc/83/99/57/346839957.db2.gz OQELSGIINDPPEU-UHFFFAOYSA-N 1 2 233.355 3.328 20 0 BGADLO Cc1ccc2c(c1)[N@H+](CC1CCOCC1)CCC2 ZINC000171829618 365245750 /nfs/dbraw/zinc/24/57/50/365245750.db2.gz NOBYTVVHEBVRAZ-UHFFFAOYSA-N 1 2 245.366 3.174 20 0 BGADLO Cc1ccc2c(c1)[N@@H+](CC1CCOCC1)CCC2 ZINC000171829618 365245744 /nfs/dbraw/zinc/24/57/44/365245744.db2.gz NOBYTVVHEBVRAZ-UHFFFAOYSA-N 1 2 245.366 3.174 20 0 BGADLO COc1ccc2[nH+]c(NCC3CC3)ccc2c1 ZINC000171830116 372788523 /nfs/dbraw/zinc/78/85/23/372788523.db2.gz FXSKQIUDJHVSRL-UHFFFAOYSA-N 1 2 228.295 3.065 20 0 BGADLO CC(C)c1nc(NCc2ccsc2)cc[nH+]1 ZINC000171838667 398343540 /nfs/dbraw/zinc/34/35/40/398343540.db2.gz SUBLAALFHGAMTJ-UHFFFAOYSA-N 1 2 233.340 3.274 20 0 BGADLO Cc1occc1CN(C)c1cc[nH+]c(C(C)C)n1 ZINC000171861571 372800977 /nfs/dbraw/zinc/80/09/77/372800977.db2.gz IJBSUZDLISHJKC-UHFFFAOYSA-N 1 2 245.326 3.138 20 0 BGADLO CC(C)c1nc(NCC(C)(C)C)cc[nH+]1 ZINC000171862232 259358469 /nfs/dbraw/zinc/35/84/69/259358469.db2.gz VBSUWBAIUDOGDF-UHFFFAOYSA-N 1 2 207.321 3.058 20 0 BGADLO CC(C)c1nc(N2CCC[C@@H](C)CC2)cc[nH+]1 ZINC000171879386 398236843 /nfs/dbraw/zinc/23/68/43/398236843.db2.gz LBVOQJQTYGUASE-GFCCVEGCSA-N 1 2 233.359 3.226 20 0 BGADLO CC(C)c1nc(N2CCC[C@H](C)CC2)cc[nH+]1 ZINC000171879387 398236637 /nfs/dbraw/zinc/23/66/37/398236637.db2.gz LBVOQJQTYGUASE-LBPRGKRZSA-N 1 2 233.359 3.226 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000171916903 372819093 /nfs/dbraw/zinc/81/90/93/372819093.db2.gz NANIBNGLOGGYTH-NSHDSACASA-N 1 2 234.343 3.237 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@H](C)C(C)C)c(C)[nH+]1 ZINC000171916906 372819554 /nfs/dbraw/zinc/81/95/54/372819554.db2.gz NANIBNGLOGGYTH-LLVKDONJSA-N 1 2 234.343 3.237 20 0 BGADLO CC[N@H+](Cc1ccccc1C)CC(F)F ZINC000171990593 134263892 /nfs/dbraw/zinc/26/38/92/134263892.db2.gz CVZXFQKKHIZQAH-UHFFFAOYSA-N 1 2 213.271 3.082 20 0 BGADLO CC[N@@H+](Cc1ccccc1C)CC(F)F ZINC000171990593 134263891 /nfs/dbraw/zinc/26/38/91/134263891.db2.gz CVZXFQKKHIZQAH-UHFFFAOYSA-N 1 2 213.271 3.082 20 0 BGADLO CC[N@H+](Cc1cccc(C)c1)CC(F)F ZINC000171990634 365266237 /nfs/dbraw/zinc/26/62/37/365266237.db2.gz VJVLECVLIYCIDZ-UHFFFAOYSA-N 1 2 213.271 3.082 20 0 BGADLO CC[N@@H+](Cc1cccc(C)c1)CC(F)F ZINC000171990634 365266233 /nfs/dbraw/zinc/26/62/33/365266233.db2.gz VJVLECVLIYCIDZ-UHFFFAOYSA-N 1 2 213.271 3.082 20 0 BGADLO Fc1cccc(C[C@@H]2CCC[N@@H+]2CC(F)F)c1 ZINC000171990763 372847259 /nfs/dbraw/zinc/84/72/59/372847259.db2.gz FSAAFKIPFOUTJR-LBPRGKRZSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1cccc(C[C@@H]2CCC[N@H+]2CC(F)F)c1 ZINC000171990763 372847248 /nfs/dbraw/zinc/84/72/48/372847248.db2.gz FSAAFKIPFOUTJR-LBPRGKRZSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1cccc(C[C@H]2CCC[N@@H+]2CC(F)F)c1 ZINC000171990765 372847517 /nfs/dbraw/zinc/84/75/17/372847517.db2.gz FSAAFKIPFOUTJR-GFCCVEGCSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1cccc(C[C@H]2CCC[N@H+]2CC(F)F)c1 ZINC000171990765 372847509 /nfs/dbraw/zinc/84/75/09/372847509.db2.gz FSAAFKIPFOUTJR-GFCCVEGCSA-N 1 2 243.272 3.098 20 0 BGADLO C[N@@H+](CCCCc1ccccc1)CC(F)F ZINC000171990770 365265394 /nfs/dbraw/zinc/26/53/94/365265394.db2.gz XBZFPSZHKYWYJY-UHFFFAOYSA-N 1 2 227.298 3.206 20 0 BGADLO C[N@H+](CCCCc1ccccc1)CC(F)F ZINC000171990770 365265390 /nfs/dbraw/zinc/26/53/90/365265390.db2.gz XBZFPSZHKYWYJY-UHFFFAOYSA-N 1 2 227.298 3.206 20 0 BGADLO C[C@@H](CCc1ccccc1)[N@@H+](C)CC(F)F ZINC000171991138 365265725 /nfs/dbraw/zinc/26/57/25/365265725.db2.gz LWCSFGFJBZAREC-NSHDSACASA-N 1 2 227.298 3.205 20 0 BGADLO C[C@@H](CCc1ccccc1)[N@H+](C)CC(F)F ZINC000171991138 365265722 /nfs/dbraw/zinc/26/57/22/365265722.db2.gz LWCSFGFJBZAREC-NSHDSACASA-N 1 2 227.298 3.205 20 0 BGADLO C[C@H](CCc1ccccc1)[N@@H+](C)CC(F)F ZINC000171991140 365265682 /nfs/dbraw/zinc/26/56/82/365265682.db2.gz LWCSFGFJBZAREC-LLVKDONJSA-N 1 2 227.298 3.205 20 0 BGADLO C[C@H](CCc1ccccc1)[N@H+](C)CC(F)F ZINC000171991140 365265679 /nfs/dbraw/zinc/26/56/79/365265679.db2.gz LWCSFGFJBZAREC-LLVKDONJSA-N 1 2 227.298 3.205 20 0 BGADLO CC[N@H+](Cc1ccc(C)cc1)CC(F)F ZINC000171991153 365265576 /nfs/dbraw/zinc/26/55/76/365265576.db2.gz JMDVXJKPFZZGHQ-UHFFFAOYSA-N 1 2 213.271 3.082 20 0 BGADLO CC[N@@H+](Cc1ccc(C)cc1)CC(F)F ZINC000171991153 365265574 /nfs/dbraw/zinc/26/55/74/365265574.db2.gz JMDVXJKPFZZGHQ-UHFFFAOYSA-N 1 2 213.271 3.082 20 0 BGADLO C[N@@H+](CCC1CCCCC1)CC(F)F ZINC000171991827 365265469 /nfs/dbraw/zinc/26/54/69/365265469.db2.gz AMICSFIQUONVEM-UHFFFAOYSA-N 1 2 205.292 3.154 20 0 BGADLO C[N@H+](CCC1CCCCC1)CC(F)F ZINC000171991827 365265462 /nfs/dbraw/zinc/26/54/62/365265462.db2.gz AMICSFIQUONVEM-UHFFFAOYSA-N 1 2 205.292 3.154 20 0 BGADLO FC(F)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000171992162 372848628 /nfs/dbraw/zinc/84/86/28/372848628.db2.gz XQFHYDJYUCFYMR-ZDUSSCGKSA-N 1 2 225.282 3.383 20 0 BGADLO FC(F)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000171992163 346087609 /nfs/dbraw/zinc/08/76/09/346087609.db2.gz XQFHYDJYUCFYMR-CYBMUJFWSA-N 1 2 225.282 3.383 20 0 BGADLO Cc1ccccc1C1CC[NH+](CC(F)F)CC1 ZINC000171994311 372851371 /nfs/dbraw/zinc/85/13/71/372851371.db2.gz AJUOMWUIGZAWPE-UHFFFAOYSA-N 1 2 239.309 3.440 20 0 BGADLO Fc1ccc(C2([NH2+]CC(F)F)CCCC2)cc1 ZINC000171994395 372851297 /nfs/dbraw/zinc/85/12/97/372851297.db2.gz TUEZQFHOEDXIPX-UHFFFAOYSA-N 1 2 243.272 3.450 20 0 BGADLO FC(F)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000171994680 372852822 /nfs/dbraw/zinc/85/28/22/372852822.db2.gz XYRPHGCDEJJLRY-UHFFFAOYSA-N 1 2 217.303 3.298 20 0 BGADLO FC(F)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000171994680 372852815 /nfs/dbraw/zinc/85/28/15/372852815.db2.gz XYRPHGCDEJJLRY-UHFFFAOYSA-N 1 2 217.303 3.298 20 0 BGADLO Fc1ccc(C[N@@H+](CC(F)F)CC2CC2)cc1 ZINC000172010995 372855357 /nfs/dbraw/zinc/85/53/57/372855357.db2.gz VYHNWZXKAPMLAL-UHFFFAOYSA-N 1 2 243.272 3.303 20 0 BGADLO Fc1ccc(C[N@H+](CC(F)F)CC2CC2)cc1 ZINC000172010995 372855345 /nfs/dbraw/zinc/85/53/45/372855345.db2.gz VYHNWZXKAPMLAL-UHFFFAOYSA-N 1 2 243.272 3.303 20 0 BGADLO CC(C)n1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)n1 ZINC000172012978 385541033 /nfs/dbraw/zinc/54/10/33/385541033.db2.gz QANPFODOKMYYSP-LBPRGKRZSA-N 1 2 247.342 3.250 20 0 BGADLO CC(C)n1ccc(C[N@H+](C)[C@@H](C)c2ccco2)n1 ZINC000172012978 385541026 /nfs/dbraw/zinc/54/10/26/385541026.db2.gz QANPFODOKMYYSP-LBPRGKRZSA-N 1 2 247.342 3.250 20 0 BGADLO CC(C)n1ccc(C[N@@H+](C)[C@H](C)c2ccco2)n1 ZINC000172012982 385540974 /nfs/dbraw/zinc/54/09/74/385540974.db2.gz QANPFODOKMYYSP-GFCCVEGCSA-N 1 2 247.342 3.250 20 0 BGADLO CC(C)n1ccc(C[N@H+](C)[C@H](C)c2ccco2)n1 ZINC000172012982 385540967 /nfs/dbraw/zinc/54/09/67/385540967.db2.gz QANPFODOKMYYSP-GFCCVEGCSA-N 1 2 247.342 3.250 20 0 BGADLO CC[C@@H]1COCC[N@H+]1Cc1ccc(Cl)s1 ZINC000172013190 535834908 /nfs/dbraw/zinc/83/49/08/535834908.db2.gz QGJIDFVPXOLGNZ-SECBINFHSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000172013190 535834905 /nfs/dbraw/zinc/83/49/05/535834905.db2.gz QGJIDFVPXOLGNZ-SECBINFHSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1COCC[N@H+]1Cc1ccc(Cl)s1 ZINC000172013191 134264318 /nfs/dbraw/zinc/26/43/18/134264318.db2.gz QGJIDFVPXOLGNZ-VIFPVBQESA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1COCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000172013191 134264317 /nfs/dbraw/zinc/26/43/17/134264317.db2.gz QGJIDFVPXOLGNZ-VIFPVBQESA-N 1 2 245.775 3.012 20 0 BGADLO Cc1cc(N(C)C2CCCC2)nc(C2CC2)[nH+]1 ZINC000172014363 372857109 /nfs/dbraw/zinc/85/71/09/372857109.db2.gz KISQBIVMPWCIRY-UHFFFAOYSA-N 1 2 231.343 3.041 20 0 BGADLO Cc1cc(NCC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000172014676 384939829 /nfs/dbraw/zinc/93/98/29/384939829.db2.gz FXECDTPDQWENAQ-UHFFFAOYSA-N 1 2 219.332 3.120 20 0 BGADLO Cc1ccc([C@@H]2COCC[N@H+]2[C@H]2C=CCCC2)o1 ZINC000172025326 385542788 /nfs/dbraw/zinc/54/27/88/385542788.db2.gz JBLAGDYNESAZBM-KBPBESRZSA-N 1 2 247.338 3.070 20 0 BGADLO Cc1ccc([C@@H]2COCC[N@@H+]2[C@H]2C=CCCC2)o1 ZINC000172025326 385542785 /nfs/dbraw/zinc/54/27/85/385542785.db2.gz JBLAGDYNESAZBM-KBPBESRZSA-N 1 2 247.338 3.070 20 0 BGADLO Cc1ccc([C@H]2COCC[N@H+]2[C@H]2C=CCCC2)o1 ZINC000172025330 385543616 /nfs/dbraw/zinc/54/36/16/385543616.db2.gz JBLAGDYNESAZBM-UONOGXRCSA-N 1 2 247.338 3.070 20 0 BGADLO Cc1ccc([C@H]2COCC[N@@H+]2[C@H]2C=CCCC2)o1 ZINC000172025330 385543607 /nfs/dbraw/zinc/54/36/07/385543607.db2.gz JBLAGDYNESAZBM-UONOGXRCSA-N 1 2 247.338 3.070 20 0 BGADLO CC(C)(C)C1CC[NH+](CC(F)F)CC1 ZINC000172033423 372859183 /nfs/dbraw/zinc/85/91/83/372859183.db2.gz XWEXIQHXYJPUAV-UHFFFAOYSA-N 1 2 205.292 3.010 20 0 BGADLO COCCCC[N@@H+](C)c1cccc(C)c1C ZINC000172075034 134261314 /nfs/dbraw/zinc/26/13/14/134261314.db2.gz OURRVAZBYWZEEG-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO COCCCC[N@H+](C)c1cccc(C)c1C ZINC000172075034 134261313 /nfs/dbraw/zinc/26/13/13/134261313.db2.gz OURRVAZBYWZEEG-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO COCCCC[N@@H+](C)c1cc(C)cc(C)c1 ZINC000172075040 134261249 /nfs/dbraw/zinc/26/12/49/134261249.db2.gz KEPBPHGGWUJPDW-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO COCCCC[N@H+](C)c1cc(C)cc(C)c1 ZINC000172075040 134261248 /nfs/dbraw/zinc/26/12/48/134261248.db2.gz KEPBPHGGWUJPDW-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO Cc1ccc(C[C@@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000172077568 344777879 /nfs/dbraw/zinc/77/78/79/344777879.db2.gz CNMULRMUZVDAFD-ZDUSSCGKSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1ccc(C[C@@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000172077568 344777876 /nfs/dbraw/zinc/77/78/76/344777876.db2.gz CNMULRMUZVDAFD-ZDUSSCGKSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1ccc(C[C@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000172077570 344778076 /nfs/dbraw/zinc/77/80/76/344778076.db2.gz CNMULRMUZVDAFD-CYBMUJFWSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1ccc(C[C@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000172077570 344778075 /nfs/dbraw/zinc/77/80/75/344778075.db2.gz CNMULRMUZVDAFD-CYBMUJFWSA-N 1 2 239.309 3.267 20 0 BGADLO C[C@]1(c2ccccc2)CCC[N@@H+](CC(F)F)C1 ZINC000172078289 372865138 /nfs/dbraw/zinc/86/51/38/372865138.db2.gz OKEBTWQGVRMHHX-AWEZNQCLSA-N 1 2 239.309 3.305 20 0 BGADLO C[C@]1(c2ccccc2)CCC[N@H+](CC(F)F)C1 ZINC000172078289 372865130 /nfs/dbraw/zinc/86/51/30/372865130.db2.gz OKEBTWQGVRMHHX-AWEZNQCLSA-N 1 2 239.309 3.305 20 0 BGADLO C[C@@]1(c2ccccc2)CCC[N@@H+](CC(F)F)C1 ZINC000172078293 372865729 /nfs/dbraw/zinc/86/57/29/372865729.db2.gz OKEBTWQGVRMHHX-CQSZACIVSA-N 1 2 239.309 3.305 20 0 BGADLO C[C@@]1(c2ccccc2)CCC[N@H+](CC(F)F)C1 ZINC000172078293 372865723 /nfs/dbraw/zinc/86/57/23/372865723.db2.gz OKEBTWQGVRMHHX-CQSZACIVSA-N 1 2 239.309 3.305 20 0 BGADLO C[N@@H+](CCc1ccc(Cl)cc1)CC(F)F ZINC000172079804 365289371 /nfs/dbraw/zinc/28/93/71/365289371.db2.gz XFJMPURTSLXEED-UHFFFAOYSA-N 1 2 233.689 3.079 20 0 BGADLO C[N@H+](CCc1ccc(Cl)cc1)CC(F)F ZINC000172079804 365289368 /nfs/dbraw/zinc/28/93/68/365289368.db2.gz XFJMPURTSLXEED-UHFFFAOYSA-N 1 2 233.689 3.079 20 0 BGADLO CCC[N@@H+](CCc1cccc(F)c1)CC(F)F ZINC000172080221 372865681 /nfs/dbraw/zinc/86/56/81/372865681.db2.gz CPZLVKDWLHTOMA-UHFFFAOYSA-N 1 2 245.288 3.345 20 0 BGADLO CCC[N@H+](CCc1cccc(F)c1)CC(F)F ZINC000172080221 372865677 /nfs/dbraw/zinc/86/56/77/372865677.db2.gz CPZLVKDWLHTOMA-UHFFFAOYSA-N 1 2 245.288 3.345 20 0 BGADLO C[C@H](Nc1cc[nH+]c(C2CC2)n1)C1CCCC1 ZINC000172145967 134262216 /nfs/dbraw/zinc/26/22/16/134262216.db2.gz VUICGRDQDQNPMB-JTQLQIEISA-N 1 2 231.343 3.345 20 0 BGADLO C[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CCCC1 ZINC000172145974 134262252 /nfs/dbraw/zinc/26/22/52/134262252.db2.gz VUICGRDQDQNPMB-SNVBAGLBSA-N 1 2 231.343 3.345 20 0 BGADLO FC(F)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000172283707 372930269 /nfs/dbraw/zinc/93/02/69/372930269.db2.gz JBCCNOGKZLBPNV-GFCCVEGCSA-N 1 2 215.287 3.074 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000172283707 372930265 /nfs/dbraw/zinc/93/02/65/372930265.db2.gz JBCCNOGKZLBPNV-GFCCVEGCSA-N 1 2 215.287 3.074 20 0 BGADLO FC(F)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000172283712 372930459 /nfs/dbraw/zinc/93/04/59/372930459.db2.gz JBCCNOGKZLBPNV-LBPRGKRZSA-N 1 2 215.287 3.074 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000172283712 372930457 /nfs/dbraw/zinc/93/04/57/372930457.db2.gz JBCCNOGKZLBPNV-LBPRGKRZSA-N 1 2 215.287 3.074 20 0 BGADLO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(F)F ZINC000172308137 372935474 /nfs/dbraw/zinc/93/54/74/372935474.db2.gz ARKZSZCYXCVZEO-PWSUYJOCSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(F)F ZINC000172308137 372935466 /nfs/dbraw/zinc/93/54/66/372935466.db2.gz ARKZSZCYXCVZEO-PWSUYJOCSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC(F)F ZINC000172308140 372936087 /nfs/dbraw/zinc/93/60/87/372936087.db2.gz ARKZSZCYXCVZEO-JQWIXIFHSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(F)F ZINC000172308140 372936085 /nfs/dbraw/zinc/93/60/85/372936085.db2.gz ARKZSZCYXCVZEO-JQWIXIFHSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(F)F ZINC000172308144 372935650 /nfs/dbraw/zinc/93/56/50/372935650.db2.gz ARKZSZCYXCVZEO-ZYHUDNBSSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(F)F ZINC000172308144 372935643 /nfs/dbraw/zinc/93/56/43/372935643.db2.gz ARKZSZCYXCVZEO-ZYHUDNBSSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(F)F ZINC000172308148 372936416 /nfs/dbraw/zinc/93/64/16/372936416.db2.gz ARKZSZCYXCVZEO-CMPLNLGQSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(F)F ZINC000172308148 372936412 /nfs/dbraw/zinc/93/64/12/372936412.db2.gz ARKZSZCYXCVZEO-CMPLNLGQSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(F)F ZINC000172329776 372942759 /nfs/dbraw/zinc/94/27/59/372942759.db2.gz RZKGPPPSJNIQGC-KOLCDFICSA-N 1 2 243.272 3.269 20 0 BGADLO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(F)F ZINC000172329776 372942756 /nfs/dbraw/zinc/94/27/56/372942756.db2.gz RZKGPPPSJNIQGC-KOLCDFICSA-N 1 2 243.272 3.269 20 0 BGADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC(F)F ZINC000172329783 372943814 /nfs/dbraw/zinc/94/38/14/372943814.db2.gz RZKGPPPSJNIQGC-ONGXEEELSA-N 1 2 243.272 3.269 20 0 BGADLO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(F)F ZINC000172329783 372943804 /nfs/dbraw/zinc/94/38/04/372943804.db2.gz RZKGPPPSJNIQGC-ONGXEEELSA-N 1 2 243.272 3.269 20 0 BGADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(F)F ZINC000172329790 372943211 /nfs/dbraw/zinc/94/32/11/372943211.db2.gz RZKGPPPSJNIQGC-MWLCHTKSSA-N 1 2 243.272 3.269 20 0 BGADLO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(F)F ZINC000172329790 372943204 /nfs/dbraw/zinc/94/32/04/372943204.db2.gz RZKGPPPSJNIQGC-MWLCHTKSSA-N 1 2 243.272 3.269 20 0 BGADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC(F)F ZINC000172329797 372944161 /nfs/dbraw/zinc/94/41/61/372944161.db2.gz RZKGPPPSJNIQGC-GXSJLCMTSA-N 1 2 243.272 3.269 20 0 BGADLO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(F)F ZINC000172329797 372944152 /nfs/dbraw/zinc/94/41/52/372944152.db2.gz RZKGPPPSJNIQGC-GXSJLCMTSA-N 1 2 243.272 3.269 20 0 BGADLO CC(C)n1ccc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000172332343 384570542 /nfs/dbraw/zinc/57/05/42/384570542.db2.gz VDMYIIMSGPZXQD-UHFFFAOYSA-N 1 2 243.354 3.096 20 0 BGADLO CC(C)n1ccc(C[N@H+](C)Cc2ccccc2)n1 ZINC000172332343 384570537 /nfs/dbraw/zinc/57/05/37/384570537.db2.gz VDMYIIMSGPZXQD-UHFFFAOYSA-N 1 2 243.354 3.096 20 0 BGADLO Cc1csc(C[N@H+](C)Cc2ccc(C)cc2)n1 ZINC000172401903 384581780 /nfs/dbraw/zinc/58/17/80/384581780.db2.gz QORAMPZQOMIXBD-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1csc(C[N@@H+](C)Cc2ccc(C)cc2)n1 ZINC000172401903 384581769 /nfs/dbraw/zinc/58/17/69/384581769.db2.gz QORAMPZQOMIXBD-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO CC(C)c1nc(N[C@H]2CC=CCC2)cc[nH+]1 ZINC000172411341 205531829 /nfs/dbraw/zinc/53/18/29/205531829.db2.gz MNEUBUCXOHDLAB-NSHDSACASA-N 1 2 217.316 3.121 20 0 BGADLO CC(C)c1nc(N[C@@H]2CC=CCC2)cc[nH+]1 ZINC000172411344 385531224 /nfs/dbraw/zinc/53/12/24/385531224.db2.gz MNEUBUCXOHDLAB-LLVKDONJSA-N 1 2 217.316 3.121 20 0 BGADLO Cc1ccc(C[C@@H](C)[N@@H+](C)CC(F)F)cc1 ZINC000172573483 373013843 /nfs/dbraw/zinc/01/38/43/373013843.db2.gz IZLVRVNEZREECX-LLVKDONJSA-N 1 2 227.298 3.123 20 0 BGADLO Cc1ccc(C[C@@H](C)[N@H+](C)CC(F)F)cc1 ZINC000172573483 373013838 /nfs/dbraw/zinc/01/38/38/373013838.db2.gz IZLVRVNEZREECX-LLVKDONJSA-N 1 2 227.298 3.123 20 0 BGADLO Cc1ccc(C[C@H](C)[N@@H+](C)CC(F)F)cc1 ZINC000172573485 373013446 /nfs/dbraw/zinc/01/34/46/373013446.db2.gz IZLVRVNEZREECX-NSHDSACASA-N 1 2 227.298 3.123 20 0 BGADLO Cc1ccc(C[C@H](C)[N@H+](C)CC(F)F)cc1 ZINC000172573485 373013443 /nfs/dbraw/zinc/01/34/43/373013443.db2.gz IZLVRVNEZREECX-NSHDSACASA-N 1 2 227.298 3.123 20 0 BGADLO CC(C)[C@@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000172615130 385004855 /nfs/dbraw/zinc/00/48/55/385004855.db2.gz JIIQAARTWNQAEU-JTQLQIEISA-N 1 2 219.332 3.058 20 0 BGADLO CC(C)[C@H](C)CNc1cc[nH+]c(C2CC2)n1 ZINC000172615137 385003937 /nfs/dbraw/zinc/00/39/37/385003937.db2.gz JIIQAARTWNQAEU-SNVBAGLBSA-N 1 2 219.332 3.058 20 0 BGADLO CC(C)([NH2+]Cc1c[nH]cn1)c1cccc(Cl)c1 ZINC000172631243 535250073 /nfs/dbraw/zinc/25/00/73/535250073.db2.gz OIOWUILQHSFOTN-UHFFFAOYSA-N 1 2 249.745 3.088 20 0 BGADLO Fc1cccc([C@@H]2CCC[N@H+]2Cc2ccon2)c1 ZINC000172651544 134267017 /nfs/dbraw/zinc/26/70/17/134267017.db2.gz IDLYMSDVEMFFHF-AWEZNQCLSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ccon2)c1 ZINC000172651544 134267016 /nfs/dbraw/zinc/26/70/16/134267016.db2.gz IDLYMSDVEMFFHF-AWEZNQCLSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1cccc([C@H]2CCC[N@H+]2Cc2ccon2)c1 ZINC000172651549 134266954 /nfs/dbraw/zinc/26/69/54/134266954.db2.gz IDLYMSDVEMFFHF-CQSZACIVSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccon2)c1 ZINC000172651549 134266953 /nfs/dbraw/zinc/26/69/53/134266953.db2.gz IDLYMSDVEMFFHF-CQSZACIVSA-N 1 2 246.285 3.151 20 0 BGADLO CC(C)c1ccc(C[N@@H+](C)Cc2ccon2)cc1 ZINC000172653815 384616177 /nfs/dbraw/zinc/61/61/77/384616177.db2.gz YXMYHIMZWMYMTE-UHFFFAOYSA-N 1 2 244.338 3.430 20 0 BGADLO CC(C)c1ccc(C[N@H+](C)Cc2ccon2)cc1 ZINC000172653815 384616174 /nfs/dbraw/zinc/61/61/74/384616174.db2.gz YXMYHIMZWMYMTE-UHFFFAOYSA-N 1 2 244.338 3.430 20 0 BGADLO CC(C)c1nc(N2CCC[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000172765858 534908140 /nfs/dbraw/zinc/90/81/40/534908140.db2.gz UTAYMQIVGAHQCF-VXGBXAGGSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N2CCC[C@H](C)[C@H]2C)cc[nH+]1 ZINC000172765865 534908171 /nfs/dbraw/zinc/90/81/71/534908171.db2.gz UTAYMQIVGAHQCF-NWDGAFQWSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N2CCC[C@H]3CCC[C@@H]32)cc[nH+]1 ZINC000172773962 534907108 /nfs/dbraw/zinc/90/71/08/534907108.db2.gz LFHCBVHKJFXUEH-OLZOCXBDSA-N 1 2 245.370 3.369 20 0 BGADLO CC(C)c1nc(N2CCC[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000172773966 534908724 /nfs/dbraw/zinc/90/87/24/534908724.db2.gz LFHCBVHKJFXUEH-STQMWFEESA-N 1 2 245.370 3.369 20 0 BGADLO COc1ccc2[nH+]c(N3CCC[C@H]3C)ccc2c1 ZINC000172811992 541499672 /nfs/dbraw/zinc/49/96/72/541499672.db2.gz COOYEECLLRKCJJ-LLVKDONJSA-N 1 2 242.322 3.232 20 0 BGADLO COc1ccc2[nH+]c(N3CCC[C@@H]3C)ccc2c1 ZINC000172811997 541499726 /nfs/dbraw/zinc/49/97/26/541499726.db2.gz COOYEECLLRKCJJ-NSHDSACASA-N 1 2 242.322 3.232 20 0 BGADLO CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(F)F ZINC000172929004 491106855 /nfs/dbraw/zinc/10/68/55/491106855.db2.gz QURCTOAKTJUTIN-LBPRGKRZSA-N 1 2 227.298 3.205 20 0 BGADLO CC[C@@H](Cc1ccccc1)[N@H+](C)CC(F)F ZINC000172929004 491106854 /nfs/dbraw/zinc/10/68/54/491106854.db2.gz QURCTOAKTJUTIN-LBPRGKRZSA-N 1 2 227.298 3.205 20 0 BGADLO CC[C@H](Cc1ccccc1)[N@@H+](C)CC(F)F ZINC000172929010 491106866 /nfs/dbraw/zinc/10/68/66/491106866.db2.gz QURCTOAKTJUTIN-GFCCVEGCSA-N 1 2 227.298 3.205 20 0 BGADLO CC[C@H](Cc1ccccc1)[N@H+](C)CC(F)F ZINC000172929010 491106865 /nfs/dbraw/zinc/10/68/65/491106865.db2.gz QURCTOAKTJUTIN-GFCCVEGCSA-N 1 2 227.298 3.205 20 0 BGADLO C[C@@H]1C[N@@H+](CC(F)F)CC[C@@H]1c1ccccc1 ZINC000172942584 388412413 /nfs/dbraw/zinc/41/24/13/388412413.db2.gz REZLJQFMBFZTSM-YPMHNXCESA-N 1 2 239.309 3.377 20 0 BGADLO C[C@@H]1C[N@H+](CC(F)F)CC[C@@H]1c1ccccc1 ZINC000172942584 388412411 /nfs/dbraw/zinc/41/24/11/388412411.db2.gz REZLJQFMBFZTSM-YPMHNXCESA-N 1 2 239.309 3.377 20 0 BGADLO C[C@H]1C[N@@H+](CC(F)F)CC[C@@H]1c1ccccc1 ZINC000172942591 388412699 /nfs/dbraw/zinc/41/26/99/388412699.db2.gz REZLJQFMBFZTSM-AAEUAGOBSA-N 1 2 239.309 3.377 20 0 BGADLO C[C@H]1C[N@H+](CC(F)F)CC[C@@H]1c1ccccc1 ZINC000172942591 388412696 /nfs/dbraw/zinc/41/26/96/388412696.db2.gz REZLJQFMBFZTSM-AAEUAGOBSA-N 1 2 239.309 3.377 20 0 BGADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cscn1 ZINC000172995691 365393690 /nfs/dbraw/zinc/39/36/90/365393690.db2.gz FDCHIXMWGYXVRR-LLVKDONJSA-N 1 2 244.363 3.090 20 0 BGADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cscn1 ZINC000172995691 365393686 /nfs/dbraw/zinc/39/36/86/365393686.db2.gz FDCHIXMWGYXVRR-LLVKDONJSA-N 1 2 244.363 3.090 20 0 BGADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cscn1 ZINC000172995697 365393830 /nfs/dbraw/zinc/39/38/30/365393830.db2.gz FDCHIXMWGYXVRR-NSHDSACASA-N 1 2 244.363 3.090 20 0 BGADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cscn1 ZINC000172995697 365393826 /nfs/dbraw/zinc/39/38/26/365393826.db2.gz FDCHIXMWGYXVRR-NSHDSACASA-N 1 2 244.363 3.090 20 0 BGADLO Cc1cc(F)cc(C(=O)Nc2cc[nH+]cc2C)c1 ZINC000173124221 365406426 /nfs/dbraw/zinc/40/64/26/365406426.db2.gz RONLQQDJNZJFSI-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO C[C@@H]1c2cccn2CC[N@@H+]1C/C(Cl)=C/Cl ZINC000173179255 384660749 /nfs/dbraw/zinc/66/07/49/384660749.db2.gz MAPWEHJECFBPNX-SBMLRHLQSA-N 1 2 245.153 3.184 20 0 BGADLO C[C@@H]1c2cccn2CC[N@H+]1C/C(Cl)=C/Cl ZINC000173179255 384660744 /nfs/dbraw/zinc/66/07/44/384660744.db2.gz MAPWEHJECFBPNX-SBMLRHLQSA-N 1 2 245.153 3.184 20 0 BGADLO C[C@H]1c2cccn2CC[N@@H+]1C/C(Cl)=C/Cl ZINC000173179266 384660230 /nfs/dbraw/zinc/66/02/30/384660230.db2.gz MAPWEHJECFBPNX-CBFJXKFUSA-N 1 2 245.153 3.184 20 0 BGADLO C[C@H]1c2cccn2CC[N@H+]1C/C(Cl)=C/Cl ZINC000173179266 384660225 /nfs/dbraw/zinc/66/02/25/384660225.db2.gz MAPWEHJECFBPNX-CBFJXKFUSA-N 1 2 245.153 3.184 20 0 BGADLO CC[N@@H+](CCCCCO)c1cc(C)ccc1C ZINC000173234020 385548658 /nfs/dbraw/zinc/54/86/58/385548658.db2.gz LZJVXWAYGOZXKM-UHFFFAOYSA-N 1 2 235.371 3.292 20 0 BGADLO CC[N@H+](CCCCCO)c1cc(C)ccc1C ZINC000173234020 385548653 /nfs/dbraw/zinc/54/86/53/385548653.db2.gz LZJVXWAYGOZXKM-UHFFFAOYSA-N 1 2 235.371 3.292 20 0 BGADLO CC[N@@H+](CCCCCO)c1ccc(C)cc1C ZINC000173234813 641160025 /nfs/dbraw/zinc/16/00/25/641160025.db2.gz BRXVZFCQPZMLQX-UHFFFAOYSA-N 1 2 235.371 3.292 20 0 BGADLO CC[N@H+](CCCCCO)c1ccc(C)cc1C ZINC000173234813 641160020 /nfs/dbraw/zinc/16/00/20/641160020.db2.gz BRXVZFCQPZMLQX-UHFFFAOYSA-N 1 2 235.371 3.292 20 0 BGADLO CC[N@@H+](CCCCCO)c1cc(C)cc(C)c1 ZINC000173234988 385549827 /nfs/dbraw/zinc/54/98/27/385549827.db2.gz JEEBAVUYZAPWJS-UHFFFAOYSA-N 1 2 235.371 3.292 20 0 BGADLO CC[N@H+](CCCCCO)c1cc(C)cc(C)c1 ZINC000173234988 385549824 /nfs/dbraw/zinc/54/98/24/385549824.db2.gz JEEBAVUYZAPWJS-UHFFFAOYSA-N 1 2 235.371 3.292 20 0 BGADLO Cc1ccc([N@H+](CCCCCO)C(C)C)cc1 ZINC000173280700 641166046 /nfs/dbraw/zinc/16/60/46/641166046.db2.gz RSTFJQOEBJKSBG-UHFFFAOYSA-N 1 2 235.371 3.372 20 0 BGADLO Cc1ccc([N@@H+](CCCCCO)C(C)C)cc1 ZINC000173280700 641166034 /nfs/dbraw/zinc/16/60/34/641166034.db2.gz RSTFJQOEBJKSBG-UHFFFAOYSA-N 1 2 235.371 3.372 20 0 BGADLO CC[N@@H+](Cc1ncc(C)o1)Cc1ccccc1 ZINC000173454803 346870618 /nfs/dbraw/zinc/87/06/18/346870618.db2.gz IHKAKXSDYCMXPV-UHFFFAOYSA-N 1 2 230.311 3.005 20 0 BGADLO CC[N@H+](Cc1ncc(C)o1)Cc1ccccc1 ZINC000173454803 346870616 /nfs/dbraw/zinc/87/06/16/346870616.db2.gz IHKAKXSDYCMXPV-UHFFFAOYSA-N 1 2 230.311 3.005 20 0 BGADLO CC[N@H+](Cc1cccs1)Cc1ncc(C)o1 ZINC000173457131 346870608 /nfs/dbraw/zinc/87/06/08/346870608.db2.gz IRCYDRACCYTKBW-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CC[N@@H+](Cc1cccs1)Cc1ncc(C)o1 ZINC000173457131 346870606 /nfs/dbraw/zinc/87/06/06/346870606.db2.gz IRCYDRACCYTKBW-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO Cc1cnc(C[N@@H+](Cc2ccccc2)C2CC2)o1 ZINC000173472651 384685577 /nfs/dbraw/zinc/68/55/77/384685577.db2.gz OCWRWTFHTCYRKW-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO Cc1cnc(C[N@H+](Cc2ccccc2)C2CC2)o1 ZINC000173472651 384685573 /nfs/dbraw/zinc/68/55/73/384685573.db2.gz OCWRWTFHTCYRKW-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO Cc1cnc(C[N@@H+](Cc2cccs2)C2CC2)o1 ZINC000173474357 384684308 /nfs/dbraw/zinc/68/43/08/384684308.db2.gz BGVVJNWOHBLQSV-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO Cc1cnc(C[N@H+](Cc2cccs2)C2CC2)o1 ZINC000173474357 384684302 /nfs/dbraw/zinc/68/43/02/384684302.db2.gz BGVVJNWOHBLQSV-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO C[N@@H+](Cc1ccccc1)Cc1ccncc1Cl ZINC000173491989 530000302 /nfs/dbraw/zinc/00/03/02/530000302.db2.gz ISWBJELXXUQQCP-UHFFFAOYSA-N 1 2 246.741 3.367 20 0 BGADLO C[N@H+](Cc1ccccc1)Cc1ccncc1Cl ZINC000173491989 530000300 /nfs/dbraw/zinc/00/03/00/530000300.db2.gz ISWBJELXXUQQCP-UHFFFAOYSA-N 1 2 246.741 3.367 20 0 BGADLO Cc1cnc(C[N@H+]2CCc3ccccc3[C@@H]2C)o1 ZINC000173710104 384714169 /nfs/dbraw/zinc/71/41/69/384714169.db2.gz XTLXCHZAIOZRJG-LBPRGKRZSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cnc(C[N@@H+]2CCc3ccccc3[C@@H]2C)o1 ZINC000173710104 384714163 /nfs/dbraw/zinc/71/41/63/384714163.db2.gz XTLXCHZAIOZRJG-LBPRGKRZSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cnc(C[N@H+]2CCc3ccccc3[C@H]2C)o1 ZINC000173710121 384714475 /nfs/dbraw/zinc/71/44/75/384714475.db2.gz XTLXCHZAIOZRJG-GFCCVEGCSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cnc(C[N@@H+]2CCc3ccccc3[C@H]2C)o1 ZINC000173710121 384714469 /nfs/dbraw/zinc/71/44/69/384714469.db2.gz XTLXCHZAIOZRJG-GFCCVEGCSA-N 1 2 242.322 3.102 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)CC[C@@H]2C)cc[nH+]1 ZINC000173783791 384260353 /nfs/dbraw/zinc/26/03/53/384260353.db2.gz WBHVLDCMCCOSRX-NEPJUHHUSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N2C[C@@H](C)CC[C@@H]2C)cc[nH+]1 ZINC000173783807 384259258 /nfs/dbraw/zinc/25/92/58/384259258.db2.gz WBHVLDCMCCOSRX-RYUDHWBXSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)CC[C@H]2C)cc[nH+]1 ZINC000173783821 384260770 /nfs/dbraw/zinc/26/07/70/384260770.db2.gz WBHVLDCMCCOSRX-VXGBXAGGSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N2C[C@@H](C)CC[C@H]2C)cc[nH+]1 ZINC000173783834 384259928 /nfs/dbraw/zinc/25/99/28/384259928.db2.gz WBHVLDCMCCOSRX-NWDGAFQWSA-N 1 2 233.359 3.225 20 0 BGADLO COCCCCCn1c[nH+]c2cc(C)c(C)cc21 ZINC000174090562 174188988 /nfs/dbraw/zinc/18/89/88/174188988.db2.gz VLQRRDYPKVXEEV-UHFFFAOYSA-N 1 2 246.354 3.470 20 0 BGADLO CCSCc1[nH+]ccn1Cc1ccccc1 ZINC000174250846 384768768 /nfs/dbraw/zinc/76/87/68/384768768.db2.gz YDXOOIKMUVGNNK-UHFFFAOYSA-N 1 2 232.352 3.185 20 0 BGADLO CCC[C@]1(C)CCC[N@@H+](CC(F)F)C1 ZINC000174453949 374217761 /nfs/dbraw/zinc/21/77/61/374217761.db2.gz KNVGCVCWAWKDAN-LLVKDONJSA-N 1 2 205.292 3.154 20 0 BGADLO CCC[C@]1(C)CCC[N@H+](CC(F)F)C1 ZINC000174453949 374217754 /nfs/dbraw/zinc/21/77/54/374217754.db2.gz KNVGCVCWAWKDAN-LLVKDONJSA-N 1 2 205.292 3.154 20 0 BGADLO CCC[C@@]1(C)CCC[N@@H+](CC(F)F)C1 ZINC000174453963 374217724 /nfs/dbraw/zinc/21/77/24/374217724.db2.gz KNVGCVCWAWKDAN-NSHDSACASA-N 1 2 205.292 3.154 20 0 BGADLO CCC[C@@]1(C)CCC[N@H+](CC(F)F)C1 ZINC000174453963 374217717 /nfs/dbraw/zinc/21/77/17/374217717.db2.gz KNVGCVCWAWKDAN-NSHDSACASA-N 1 2 205.292 3.154 20 0 BGADLO Cc1csc([C@H]([NH2+]Cc2ccco2)C2CC2)n1 ZINC000174541507 179796472 /nfs/dbraw/zinc/79/64/72/179796472.db2.gz LZAWZAFNXNNYKB-GFCCVEGCSA-N 1 2 248.351 3.285 20 0 BGADLO Cc1csc([C@@H]([NH2+]Cc2ccco2)C2CC2)n1 ZINC000174541521 179795279 /nfs/dbraw/zinc/79/52/79/179795279.db2.gz LZAWZAFNXNNYKB-LBPRGKRZSA-N 1 2 248.351 3.285 20 0 BGADLO Cc1cnc([C@H]([NH2+]Cc2ccco2)C2CC2)s1 ZINC000174544781 346884014 /nfs/dbraw/zinc/88/40/14/346884014.db2.gz LSINPSVXVPQYOY-GFCCVEGCSA-N 1 2 248.351 3.285 20 0 BGADLO Cc1cnc([C@@H]([NH2+]Cc2ccco2)C2CC2)s1 ZINC000174544793 365495547 /nfs/dbraw/zinc/49/55/47/365495547.db2.gz LSINPSVXVPQYOY-LBPRGKRZSA-N 1 2 248.351 3.285 20 0 BGADLO CCC(CC)c1cc(C[NH2+]Cc2ccco2)on1 ZINC000174546351 384805730 /nfs/dbraw/zinc/80/57/30/384805730.db2.gz IOXZRXQJQDNWCB-UHFFFAOYSA-N 1 2 248.326 3.461 20 0 BGADLO COCCCC[N@H+]1CCCCc2ccccc21 ZINC000174803124 134283743 /nfs/dbraw/zinc/28/37/43/134283743.db2.gz UZTOFPJBKAFGPQ-UHFFFAOYSA-N 1 2 233.355 3.256 20 0 BGADLO COCCCC[N@@H+]1CCCCc2ccccc21 ZINC000174803124 134283742 /nfs/dbraw/zinc/28/37/42/134283742.db2.gz UZTOFPJBKAFGPQ-UHFFFAOYSA-N 1 2 233.355 3.256 20 0 BGADLO Clc1cnccc1C[NH+]1Cc2ccccc2C1 ZINC000174851770 365516550 /nfs/dbraw/zinc/51/65/50/365516550.db2.gz MCVZKTLNSOIKOY-UHFFFAOYSA-N 1 2 244.725 3.251 20 0 BGADLO CC(C)CC[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000174885788 384845579 /nfs/dbraw/zinc/84/55/79/384845579.db2.gz VPRQGRWEKZDIEH-OAHLLOKOSA-N 1 2 249.354 3.312 20 0 BGADLO CC(C)CC[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000174885801 384847595 /nfs/dbraw/zinc/84/75/95/384847595.db2.gz VPRQGRWEKZDIEH-HNNXBMFYSA-N 1 2 249.354 3.312 20 0 BGADLO Cc1cc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)no1 ZINC000174980613 178007757 /nfs/dbraw/zinc/00/77/57/178007757.db2.gz OHMVOPGKRLWQOW-XHDPSFHLSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)no1 ZINC000174980613 178007755 /nfs/dbraw/zinc/00/77/55/178007755.db2.gz OHMVOPGKRLWQOW-XHDPSFHLSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)no1 ZINC000174980633 178005748 /nfs/dbraw/zinc/00/57/48/178005748.db2.gz OHMVOPGKRLWQOW-IAQYHMDHSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)no1 ZINC000174980633 178005746 /nfs/dbraw/zinc/00/57/46/178005746.db2.gz OHMVOPGKRLWQOW-IAQYHMDHSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1ccccc1C[N@@H+](C)Cc1nccs1 ZINC000175052601 179270229 /nfs/dbraw/zinc/27/02/29/179270229.db2.gz RZSCXMSYQAREKZ-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Cc1ccccc1C[N@H+](C)Cc1nccs1 ZINC000175052601 179270225 /nfs/dbraw/zinc/27/02/25/179270225.db2.gz RZSCXMSYQAREKZ-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Cc1cccc(C[N@@H+](C)Cc2nccs2)c1 ZINC000175053780 179070533 /nfs/dbraw/zinc/07/05/33/179070533.db2.gz ANERMSGWJLBENP-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Cc1cccc(C[N@H+](C)Cc2nccs2)c1 ZINC000175053780 179070531 /nfs/dbraw/zinc/07/05/31/179070531.db2.gz ANERMSGWJLBENP-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nccs1 ZINC000175058082 176020491 /nfs/dbraw/zinc/02/04/91/176020491.db2.gz QHZFGTZLQHZTGS-NSHDSACASA-N 1 2 232.352 3.336 20 0 BGADLO C[C@@H](c1ccccc1)[N@H+](C)Cc1nccs1 ZINC000175058082 176020490 /nfs/dbraw/zinc/02/04/90/176020490.db2.gz QHZFGTZLQHZTGS-NSHDSACASA-N 1 2 232.352 3.336 20 0 BGADLO C[C@H](c1ccccc1)[N@@H+](C)Cc1nccs1 ZINC000175058099 177038924 /nfs/dbraw/zinc/03/89/24/177038924.db2.gz QHZFGTZLQHZTGS-LLVKDONJSA-N 1 2 232.352 3.336 20 0 BGADLO C[C@H](c1ccccc1)[N@H+](C)Cc1nccs1 ZINC000175058099 177038923 /nfs/dbraw/zinc/03/89/23/177038923.db2.gz QHZFGTZLQHZTGS-LLVKDONJSA-N 1 2 232.352 3.336 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2nccs2)cc1 ZINC000175064155 384861492 /nfs/dbraw/zinc/86/14/92/384861492.db2.gz NVDHOTUFQHSBLK-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2nccs2)cc1 ZINC000175064155 384861485 /nfs/dbraw/zinc/86/14/85/384861485.db2.gz NVDHOTUFQHSBLK-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Cc1ccc(C)c(C[N@@H+](C)Cc2nccs2)c1 ZINC000175073237 384866008 /nfs/dbraw/zinc/86/60/08/384866008.db2.gz KLAGALKNYBEHPA-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1ccc(C)c(C[N@H+](C)Cc2nccs2)c1 ZINC000175073237 384866002 /nfs/dbraw/zinc/86/60/02/384866002.db2.gz KLAGALKNYBEHPA-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cccc(C)c1C[N@@H+](C)Cc1nccs1 ZINC000175083656 179033451 /nfs/dbraw/zinc/03/34/51/179033451.db2.gz HROIFXAYBFVNOH-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cccc(C)c1C[N@H+](C)Cc1nccs1 ZINC000175083656 179033446 /nfs/dbraw/zinc/03/34/46/179033446.db2.gz HROIFXAYBFVNOH-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO C[N@@H+](C/C=C/c1ccccc1)Cc1nccs1 ZINC000175090695 134284247 /nfs/dbraw/zinc/28/42/47/134284247.db2.gz YFOSPCKFHGPMHK-VMPITWQZSA-N 1 2 244.363 3.288 20 0 BGADLO C[N@H+](C/C=C/c1ccccc1)Cc1nccs1 ZINC000175090695 134284246 /nfs/dbraw/zinc/28/42/46/134284246.db2.gz YFOSPCKFHGPMHK-VMPITWQZSA-N 1 2 244.363 3.288 20 0 BGADLO Cc1cc(C)cc(C[N@@H+](C)Cc2nccs2)c1 ZINC000175092260 384865140 /nfs/dbraw/zinc/86/51/40/384865140.db2.gz FLSMATTWVUXPJZ-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cc(C)cc(C[N@H+](C)Cc2nccs2)c1 ZINC000175092260 384865133 /nfs/dbraw/zinc/86/51/33/384865133.db2.gz FLSMATTWVUXPJZ-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cc(C)c(NC(=O)CC2CCC2)c(C)[nH+]1 ZINC000175102680 365529928 /nfs/dbraw/zinc/52/99/28/365529928.db2.gz DQUGDBDRPKPEHN-UHFFFAOYSA-N 1 2 232.327 3.136 20 0 BGADLO CCc1ccc(C[N@@H+](C)Cc2nccs2)cc1 ZINC000175106618 384869595 /nfs/dbraw/zinc/86/95/95/384869595.db2.gz AIGHBELRJRSTBC-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CCc1ccc(C[N@H+](C)Cc2nccs2)cc1 ZINC000175106618 384869588 /nfs/dbraw/zinc/86/95/88/384869588.db2.gz AIGHBELRJRSTBC-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO C[C@@H]1CC[N@@H+](CC(F)F)[C@@H]1c1cccc(F)c1 ZINC000175154094 538949695 /nfs/dbraw/zinc/94/96/95/538949695.db2.gz QVFQGAUHXMRNDU-RNCFNFMXSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@@H]1CC[N@H+](CC(F)F)[C@@H]1c1cccc(F)c1 ZINC000175154094 538949694 /nfs/dbraw/zinc/94/96/94/538949694.db2.gz QVFQGAUHXMRNDU-RNCFNFMXSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@H]1CC[N@@H+](CC(F)F)[C@@H]1c1cccc(F)c1 ZINC000175154113 538949557 /nfs/dbraw/zinc/94/95/57/538949557.db2.gz QVFQGAUHXMRNDU-ZANVPECISA-N 1 2 243.272 3.474 20 0 BGADLO C[C@H]1CC[N@H+](CC(F)F)[C@@H]1c1cccc(F)c1 ZINC000175154113 538949555 /nfs/dbraw/zinc/94/95/55/538949555.db2.gz QVFQGAUHXMRNDU-ZANVPECISA-N 1 2 243.272 3.474 20 0 BGADLO Cc1nc(N[C@@H](C)[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000175169195 134285569 /nfs/dbraw/zinc/28/55/69/134285569.db2.gz HUJFTHQNIDEZMJ-NEPJUHHUSA-N 1 2 241.338 3.389 20 0 BGADLO Cc1nc(N[C@H](C)[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000175169213 134285732 /nfs/dbraw/zinc/28/57/32/134285732.db2.gz HUJFTHQNIDEZMJ-VXGBXAGGSA-N 1 2 241.338 3.389 20 0 BGADLO Cc1nc(N[C@@H](C)[C@H](C)c2ccccc2)cc[nH+]1 ZINC000175169231 134285501 /nfs/dbraw/zinc/28/55/01/134285501.db2.gz HUJFTHQNIDEZMJ-RYUDHWBXSA-N 1 2 241.338 3.389 20 0 BGADLO Cc1nc(N[C@H](C)[C@H](C)c2ccccc2)cc[nH+]1 ZINC000175169244 134285740 /nfs/dbraw/zinc/28/57/40/134285740.db2.gz HUJFTHQNIDEZMJ-NWDGAFQWSA-N 1 2 241.338 3.389 20 0 BGADLO C[N@H+](Cc1ccon1)Cc1cc2ccccc2o1 ZINC000175178787 134285989 /nfs/dbraw/zinc/28/59/89/134285989.db2.gz PCFZUOQWZDQRNW-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO C[N@@H+](Cc1ccon1)Cc1cc2ccccc2o1 ZINC000175178787 134285988 /nfs/dbraw/zinc/28/59/88/134285988.db2.gz PCFZUOQWZDQRNW-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C(C)(C)CC(C)C ZINC000175390522 179705218 /nfs/dbraw/zinc/70/52/18/179705218.db2.gz IHGOUFNOMSFHLJ-UHFFFAOYSA-N 1 2 234.343 3.401 20 0 BGADLO C[N@@H+](Cc1ccc[nH]1)Cc1ccccc1Cl ZINC000175427045 134287112 /nfs/dbraw/zinc/28/71/12/134287112.db2.gz GCIWFGPIFPCXNI-UHFFFAOYSA-N 1 2 234.730 3.300 20 0 BGADLO C[N@H+](Cc1ccc[nH]1)Cc1ccccc1Cl ZINC000175427045 134287111 /nfs/dbraw/zinc/28/71/11/134287111.db2.gz GCIWFGPIFPCXNI-UHFFFAOYSA-N 1 2 234.730 3.300 20 0 BGADLO CC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000175473435 642685950 /nfs/dbraw/zinc/68/59/50/642685950.db2.gz PHCQVMSQYVXDJR-TZMCWYRMSA-N 1 2 249.354 3.021 20 0 BGADLO CC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000175473435 642685945 /nfs/dbraw/zinc/68/59/45/642685945.db2.gz PHCQVMSQYVXDJR-TZMCWYRMSA-N 1 2 249.354 3.021 20 0 BGADLO CC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000175473454 642686873 /nfs/dbraw/zinc/68/68/73/642686873.db2.gz PHCQVMSQYVXDJR-GXTWGEPZSA-N 1 2 249.354 3.021 20 0 BGADLO CC[C@H](C)OC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000175473454 642686866 /nfs/dbraw/zinc/68/68/66/642686866.db2.gz PHCQVMSQYVXDJR-GXTWGEPZSA-N 1 2 249.354 3.021 20 0 BGADLO CC[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000175473473 642685325 /nfs/dbraw/zinc/68/53/25/642685325.db2.gz PHCQVMSQYVXDJR-OCCSQVGLSA-N 1 2 249.354 3.021 20 0 BGADLO CC[C@@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000175473473 642685320 /nfs/dbraw/zinc/68/53/20/642685320.db2.gz PHCQVMSQYVXDJR-OCCSQVGLSA-N 1 2 249.354 3.021 20 0 BGADLO CC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000175473494 642685994 /nfs/dbraw/zinc/68/59/94/642685994.db2.gz PHCQVMSQYVXDJR-JSGCOSHPSA-N 1 2 249.354 3.021 20 0 BGADLO CC[C@H](C)OC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000175473494 642685990 /nfs/dbraw/zinc/68/59/90/642685990.db2.gz PHCQVMSQYVXDJR-JSGCOSHPSA-N 1 2 249.354 3.021 20 0 BGADLO Cc1cnc(C[NH2+]C2(c3ccccc3)CCC2)o1 ZINC000175521347 384920282 /nfs/dbraw/zinc/92/02/82/384920282.db2.gz XIEWOGFTLLTAKI-UHFFFAOYSA-N 1 2 242.322 3.152 20 0 BGADLO CCc1cnc(C[N@@H+](C)Cc2ccccc2)s1 ZINC000175524045 346897591 /nfs/dbraw/zinc/89/75/91/346897591.db2.gz ZBNRFDPKOUFJIO-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CCc1cnc(C[N@H+](C)Cc2ccccc2)s1 ZINC000175524045 346897588 /nfs/dbraw/zinc/89/75/88/346897588.db2.gz ZBNRFDPKOUFJIO-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CCc1cnc(C[N@@H+](C)CC=C(C)C)s1 ZINC000175525230 346897952 /nfs/dbraw/zinc/89/79/52/346897952.db2.gz PZTRANSNJQYOCG-UHFFFAOYSA-N 1 2 224.373 3.104 20 0 BGADLO CCc1cnc(C[N@H+](C)CC=C(C)C)s1 ZINC000175525230 346897950 /nfs/dbraw/zinc/89/79/50/346897950.db2.gz PZTRANSNJQYOCG-UHFFFAOYSA-N 1 2 224.373 3.104 20 0 BGADLO Cc1cc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)on1 ZINC000175685058 384945532 /nfs/dbraw/zinc/94/55/32/384945532.db2.gz MNTOLIGBSDWGND-NSHDSACASA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)on1 ZINC000175685058 384945529 /nfs/dbraw/zinc/94/55/29/384945529.db2.gz MNTOLIGBSDWGND-NSHDSACASA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cc(C[N@H+]([C@H](C)c2ccco2)C2CC2)on1 ZINC000175685082 384945446 /nfs/dbraw/zinc/94/54/46/384945446.db2.gz MNTOLIGBSDWGND-LLVKDONJSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)on1 ZINC000175685082 384945438 /nfs/dbraw/zinc/94/54/38/384945438.db2.gz MNTOLIGBSDWGND-LLVKDONJSA-N 1 2 246.310 3.302 20 0 BGADLO COc1ccc2[nH+]c(N(C)C3CCC3)ccc2c1 ZINC000175723571 585029087 /nfs/dbraw/zinc/02/90/87/585029087.db2.gz LVGQAOULWPBAQE-UHFFFAOYSA-N 1 2 242.322 3.232 20 0 BGADLO CC(C)CSCc1ccc(-n2cc[nH+]c2)nc1 ZINC000175930650 188164592 /nfs/dbraw/zinc/16/45/92/188164592.db2.gz WAJXRUCVWIAYND-UHFFFAOYSA-N 1 2 247.367 3.157 20 0 BGADLO Cc1ccc(NC(=O)CCC2CCC2)c(C)[nH+]1 ZINC000176186646 385033870 /nfs/dbraw/zinc/03/38/70/385033870.db2.gz IIPVTFFEUKDUAM-UHFFFAOYSA-N 1 2 232.327 3.217 20 0 BGADLO Cc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)s1 ZINC000176188677 365686537 /nfs/dbraw/zinc/68/65/37/365686537.db2.gz IBGALFUNYIVPBP-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO Cc1cscc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000176194983 365687486 /nfs/dbraw/zinc/68/74/86/365687486.db2.gz GOCYUJFFICVCLY-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO Cc1ccc(NC(=O)c2ccsc2)c(C)[nH+]1 ZINC000176197626 365687556 /nfs/dbraw/zinc/68/75/56/365687556.db2.gz MXXBIFCFBCMTCC-UHFFFAOYSA-N 1 2 232.308 3.012 20 0 BGADLO COCC[C@H](C)[NH2+]c1ccc(OCC2CC2)cc1 ZINC000176228538 385043261 /nfs/dbraw/zinc/04/32/61/385043261.db2.gz DYJXOXHGXGZQRH-LBPRGKRZSA-N 1 2 249.354 3.312 20 0 BGADLO COCC[C@@H](C)[NH2+]c1ccc(OCC2CC2)cc1 ZINC000176228553 174386315 /nfs/dbraw/zinc/38/63/15/174386315.db2.gz DYJXOXHGXGZQRH-GFCCVEGCSA-N 1 2 249.354 3.312 20 0 BGADLO Cc1csc(C[N@@H+](C)Cc2cccs2)n1 ZINC000176321019 385061287 /nfs/dbraw/zinc/06/12/87/385061287.db2.gz OWDKNJXHZGTAIR-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1csc(C[N@H+](C)Cc2cccs2)n1 ZINC000176321019 385061276 /nfs/dbraw/zinc/06/12/76/385061276.db2.gz OWDKNJXHZGTAIR-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1nc(C[NH+]2Cc3ccccc3C2)sc1C ZINC000176362052 179962907 /nfs/dbraw/zinc/96/29/07/179962907.db2.gz NJXVEGUDQYKCIU-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000176618472 365848112 /nfs/dbraw/zinc/84/81/12/365848112.db2.gz IYEDYASUOPIONO-BXUZGUMPSA-N 1 2 232.327 3.073 20 0 BGADLO CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000176618489 365848197 /nfs/dbraw/zinc/84/81/97/365848197.db2.gz IYEDYASUOPIONO-RISCZKNCSA-N 1 2 232.327 3.073 20 0 BGADLO CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000176618509 365847989 /nfs/dbraw/zinc/84/79/89/365847989.db2.gz IYEDYASUOPIONO-SMDDNHRTSA-N 1 2 232.327 3.073 20 0 BGADLO CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000176618524 365848442 /nfs/dbraw/zinc/84/84/42/365848442.db2.gz IYEDYASUOPIONO-FZMZJTMJSA-N 1 2 232.327 3.073 20 0 BGADLO CC(C(=O)Nc1cc[nH+]cc1C)=C1CCCC1 ZINC000176627125 385121001 /nfs/dbraw/zinc/12/10/01/385121001.db2.gz WUCCVTFDWLXVSC-UHFFFAOYSA-N 1 2 230.311 3.219 20 0 BGADLO CC(C(=O)Nc1cc[nH+]c(C)c1)=C1CCCC1 ZINC000176636992 385124534 /nfs/dbraw/zinc/12/45/34/385124534.db2.gz QLOGQBGYFLTAHH-UHFFFAOYSA-N 1 2 230.311 3.219 20 0 BGADLO Cc1ccc(NC(=O)N2[C@H](C)CC[C@@H]2C)c(C)[nH+]1 ZINC000176684188 345112987 /nfs/dbraw/zinc/11/29/87/345112987.db2.gz HXJLHWFFOBUZKX-PHIMTYICSA-N 1 2 247.342 3.103 20 0 BGADLO Cc1ccc(NC(=O)N2[C@@H](C)CC[C@@H]2C)c(C)[nH+]1 ZINC000176684205 345112887 /nfs/dbraw/zinc/11/28/87/345112887.db2.gz HXJLHWFFOBUZKX-QWRGUYRKSA-N 1 2 247.342 3.103 20 0 BGADLO Cc1ccc(NC(=O)N2[C@H](C)CC[C@H]2C)c(C)[nH+]1 ZINC000176684223 345113026 /nfs/dbraw/zinc/11/30/26/345113026.db2.gz HXJLHWFFOBUZKX-GHMZBOCLSA-N 1 2 247.342 3.103 20 0 BGADLO CCN(CC(C)C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000176704444 385142021 /nfs/dbraw/zinc/14/20/21/385142021.db2.gz FXBCJDRJMUUWKC-UHFFFAOYSA-N 1 2 249.358 3.208 20 0 BGADLO CCC1(NC(=O)Nc2ccc(C)[nH+]c2C)CCC1 ZINC000176705853 385141604 /nfs/dbraw/zinc/14/16/04/385141604.db2.gz KRILBPIJVXRQMQ-UHFFFAOYSA-N 1 2 247.342 3.153 20 0 BGADLO Cc1ccc(NC(=O)NCC2(C)CCC2)c(C)[nH+]1 ZINC000176706205 134292832 /nfs/dbraw/zinc/29/28/32/134292832.db2.gz YOIZPERKXFVTEN-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO Cc1ccc(NC(=O)N2CCCC2(C)C)c(C)[nH+]1 ZINC000176706731 385141868 /nfs/dbraw/zinc/14/18/68/385141868.db2.gz UTJSPMGQWDYEDS-UHFFFAOYSA-N 1 2 247.342 3.105 20 0 BGADLO CC[C@@H](C)[C@@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000176706955 385142841 /nfs/dbraw/zinc/14/28/41/385142841.db2.gz OXZWFUKSWPVKSN-MWLCHTKSSA-N 1 2 249.358 3.255 20 0 BGADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000176706970 171362847 /nfs/dbraw/zinc/36/28/47/171362847.db2.gz OXZWFUKSWPVKSN-GXSJLCMTSA-N 1 2 249.358 3.255 20 0 BGADLO CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000176706984 385141815 /nfs/dbraw/zinc/14/18/15/385141815.db2.gz OXZWFUKSWPVKSN-KOLCDFICSA-N 1 2 249.358 3.255 20 0 BGADLO CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000176706996 171387494 /nfs/dbraw/zinc/38/74/94/171387494.db2.gz OXZWFUKSWPVKSN-ONGXEEELSA-N 1 2 249.358 3.255 20 0 BGADLO CCCN(C(=O)Nc1ccc(C)[nH+]c1C)C1CC1 ZINC000176719561 169043779 /nfs/dbraw/zinc/04/37/79/169043779.db2.gz HXBKGUBOMJPPHT-UHFFFAOYSA-N 1 2 247.342 3.105 20 0 BGADLO Cc1ccc(NC(=O)N(C)CCC(C)C)c(C)[nH+]1 ZINC000176722402 538950620 /nfs/dbraw/zinc/95/06/20/538950620.db2.gz CUDRJFTYKSYFPL-UHFFFAOYSA-N 1 2 249.358 3.208 20 0 BGADLO Cc1ccc(NC(=O)NCCCC(C)C)c(C)[nH+]1 ZINC000176724677 384764037 /nfs/dbraw/zinc/76/40/37/384764037.db2.gz ZIHPFMWBJNXBDC-UHFFFAOYSA-N 1 2 249.358 3.256 20 0 BGADLO Cc1ccc(NC(=O)NC[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000176738444 384756348 /nfs/dbraw/zinc/75/63/48/384756348.db2.gz MWCYUVMZEXEJIN-SNVBAGLBSA-N 1 2 249.358 3.112 20 0 BGADLO Cc1ccc(NC(=O)NC[C@H](C)C(C)C)c(C)[nH+]1 ZINC000176738461 384756748 /nfs/dbraw/zinc/75/67/48/384756748.db2.gz MWCYUVMZEXEJIN-JTQLQIEISA-N 1 2 249.358 3.112 20 0 BGADLO Cc1ccc(NC(=O)N(C)C2CCCC2)c(C)[nH+]1 ZINC000176738909 365895973 /nfs/dbraw/zinc/89/59/73/365895973.db2.gz VMSUCUGHNUMTTI-UHFFFAOYSA-N 1 2 247.342 3.105 20 0 BGADLO Cc1ccc(NC(=O)N[C@@H](C)CC2CC2)c(C)[nH+]1 ZINC000176751529 134292517 /nfs/dbraw/zinc/29/25/17/134292517.db2.gz SOKYVCGMNTXWDZ-JTQLQIEISA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)N[C@H](C)CC2CC2)c(C)[nH+]1 ZINC000176751547 134292489 /nfs/dbraw/zinc/29/24/89/134292489.db2.gz SOKYVCGMNTXWDZ-SNVBAGLBSA-N 1 2 247.342 3.009 20 0 BGADLO CCC[C@@H](CC)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000176771907 169377197 /nfs/dbraw/zinc/37/71/97/169377197.db2.gz VNFVGIIDSRJGGG-GFCCVEGCSA-N 1 2 249.358 3.399 20 0 BGADLO CCC[C@H](CC)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000176771922 385146380 /nfs/dbraw/zinc/14/63/80/385146380.db2.gz VNFVGIIDSRJGGG-LBPRGKRZSA-N 1 2 249.358 3.399 20 0 BGADLO CCC(C)(CC)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000176787493 384771396 /nfs/dbraw/zinc/77/13/96/384771396.db2.gz SYKGPAVETAFPMU-UHFFFAOYSA-N 1 2 249.358 3.399 20 0 BGADLO CC(C)c1nc(N(C)[C@@H](C)C2(C)CC2)cc[nH+]1 ZINC000176856332 385151397 /nfs/dbraw/zinc/15/13/97/385151397.db2.gz WBBZJPIBUZKFMK-NSHDSACASA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N(C)[C@H](C)C2(C)CC2)cc[nH+]1 ZINC000176856349 384791235 /nfs/dbraw/zinc/79/12/35/384791235.db2.gz WBBZJPIBUZKFMK-LLVKDONJSA-N 1 2 233.359 3.225 20 0 BGADLO CCCSCc1cn2cccc(C)c2[nH+]1 ZINC000176898008 384805807 /nfs/dbraw/zinc/80/58/07/384805807.db2.gz YDZLCIREFIMYIJ-UHFFFAOYSA-N 1 2 220.341 3.286 20 0 BGADLO C/C=C/CSCc1cn2ccccc2[nH+]1 ZINC000176902271 385157911 /nfs/dbraw/zinc/15/79/11/385157911.db2.gz RIIJBSMNYLHDPQ-NSCUHMNNSA-N 1 2 218.325 3.144 20 0 BGADLO Cc1ccccc1NCc1[nH+]ccn1C(C)C ZINC000176957894 179306123 /nfs/dbraw/zinc/30/61/23/179306123.db2.gz CESZGOPDFMLILY-UHFFFAOYSA-N 1 2 229.327 3.385 20 0 BGADLO Cc1ccc(NCc2[nH+]ccn2C(C)C)cc1 ZINC000176962355 178768349 /nfs/dbraw/zinc/76/83/49/178768349.db2.gz YJKIXOLFVYCSKK-UHFFFAOYSA-N 1 2 229.327 3.385 20 0 BGADLO c1cc([C@@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)cs1 ZINC000176972447 188341251 /nfs/dbraw/zinc/34/12/51/188341251.db2.gz PKQAVRYEJBJNTO-KBPBESRZSA-N 1 2 249.379 3.230 20 0 BGADLO c1cc([C@@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)cs1 ZINC000176972447 188341249 /nfs/dbraw/zinc/34/12/49/188341249.db2.gz PKQAVRYEJBJNTO-KBPBESRZSA-N 1 2 249.379 3.230 20 0 BGADLO c1cc([C@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)cs1 ZINC000176972463 187307400 /nfs/dbraw/zinc/30/74/00/187307400.db2.gz PKQAVRYEJBJNTO-UONOGXRCSA-N 1 2 249.379 3.230 20 0 BGADLO c1cc([C@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)cs1 ZINC000176972463 187307398 /nfs/dbraw/zinc/30/73/98/187307398.db2.gz PKQAVRYEJBJNTO-UONOGXRCSA-N 1 2 249.379 3.230 20 0 BGADLO CCC1(CNc2cc[nH+]c(C(C)C)n2)CC1 ZINC000176973205 134295147 /nfs/dbraw/zinc/29/51/47/134295147.db2.gz GVIJLZJHHYNJJT-UHFFFAOYSA-N 1 2 219.332 3.202 20 0 BGADLO CC(C)c1nc(N2C[C@@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000176974412 384835573 /nfs/dbraw/zinc/83/55/73/384835573.db2.gz IXGJNMCEQKBCOO-BETUJISGSA-N 1 2 245.370 3.226 20 0 BGADLO CC(C)c1nc(N2C[C@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000176974428 384835616 /nfs/dbraw/zinc/83/56/16/384835616.db2.gz IXGJNMCEQKBCOO-CHWSQXEVSA-N 1 2 245.370 3.226 20 0 BGADLO CC(C)c1nc(N2C[C@@H]3CCCC[C@H]3C2)cc[nH+]1 ZINC000176974446 384834399 /nfs/dbraw/zinc/83/43/99/384834399.db2.gz IXGJNMCEQKBCOO-STQMWFEESA-N 1 2 245.370 3.226 20 0 BGADLO Cc1cc(NCC2(C)CCC2)nc(C2CC2)[nH+]1 ZINC000176975150 205597659 /nfs/dbraw/zinc/59/76/59/205597659.db2.gz OSLWDEYVRRYKDR-UHFFFAOYSA-N 1 2 231.343 3.265 20 0 BGADLO CC(C)c1nc(NCC2(C)CCC2)cc[nH+]1 ZINC000176975357 534911445 /nfs/dbraw/zinc/91/14/45/534911445.db2.gz FDHRCPSKYHMUCV-UHFFFAOYSA-N 1 2 219.332 3.202 20 0 BGADLO Cc1ccc(NC(=O)C[C@@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000177046566 188165488 /nfs/dbraw/zinc/16/54/88/188165488.db2.gz DIECOPQDEGFTMV-GXFFZTMASA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)C[C@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000177046582 385171662 /nfs/dbraw/zinc/17/16/62/385171662.db2.gz DIECOPQDEGFTMV-GWCFXTLKSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000177046597 323081324 /nfs/dbraw/zinc/08/13/24/323081324.db2.gz DIECOPQDEGFTMV-ZWNOBZJWSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)C[C@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000177046611 385171915 /nfs/dbraw/zinc/17/19/15/385171915.db2.gz DIECOPQDEGFTMV-MFKMUULPSA-N 1 2 246.354 3.463 20 0 BGADLO c1ccc([N@@H+](CC2CC2)CC2CCOCC2)cc1 ZINC000177174408 365986262 /nfs/dbraw/zinc/98/62/62/365986262.db2.gz SDWCFMXJOJVOKN-UHFFFAOYSA-N 1 2 245.366 3.330 20 0 BGADLO c1ccc([N@H+](CC2CC2)CC2CCOCC2)cc1 ZINC000177174408 365986256 /nfs/dbraw/zinc/98/62/56/365986256.db2.gz SDWCFMXJOJVOKN-UHFFFAOYSA-N 1 2 245.366 3.330 20 0 BGADLO COCCCC[N@@H+](CC1CC1)c1ccccc1 ZINC000177177284 134296287 /nfs/dbraw/zinc/29/62/87/134296287.db2.gz MBEURWFTXBKPOH-UHFFFAOYSA-N 1 2 233.355 3.330 20 0 BGADLO COCCCC[N@H+](CC1CC1)c1ccccc1 ZINC000177177284 134296286 /nfs/dbraw/zinc/29/62/86/134296286.db2.gz MBEURWFTXBKPOH-UHFFFAOYSA-N 1 2 233.355 3.330 20 0 BGADLO OCCCCC[N@@H+](CC1CCC1)c1ccccc1 ZINC000177180421 397790364 /nfs/dbraw/zinc/79/03/64/397790364.db2.gz GUHIIJALPMDPCE-UHFFFAOYSA-N 1 2 247.382 3.456 20 0 BGADLO OCCCCC[N@H+](CC1CCC1)c1ccccc1 ZINC000177180421 397790361 /nfs/dbraw/zinc/79/03/61/397790361.db2.gz GUHIIJALPMDPCE-UHFFFAOYSA-N 1 2 247.382 3.456 20 0 BGADLO Cc1csc(C[N@H+](C)[C@@H](C)c2ccccn2)n1 ZINC000177202101 385197417 /nfs/dbraw/zinc/19/74/17/385197417.db2.gz ZVSQDEGWQQZLPH-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1csc(C[N@@H+](C)[C@@H](C)c2ccccn2)n1 ZINC000177202101 385197410 /nfs/dbraw/zinc/19/74/10/385197410.db2.gz ZVSQDEGWQQZLPH-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1csc(C[N@H+](C)[C@H](C)c2ccccn2)n1 ZINC000177202125 385197972 /nfs/dbraw/zinc/19/79/72/385197972.db2.gz ZVSQDEGWQQZLPH-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1csc(C[N@@H+](C)[C@H](C)c2ccccn2)n1 ZINC000177202125 385197964 /nfs/dbraw/zinc/19/79/64/385197964.db2.gz ZVSQDEGWQQZLPH-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO COCCOc1ccc([NH2+][C@@H](C)C2CC2)c(C)c1 ZINC000177340083 174368323 /nfs/dbraw/zinc/36/83/23/174368323.db2.gz NXZFDSISXOUCED-LBPRGKRZSA-N 1 2 249.354 3.231 20 0 BGADLO COCCOc1ccc([NH2+][C@H](C)C2CC2)c(C)c1 ZINC000177340096 174368781 /nfs/dbraw/zinc/36/87/81/174368781.db2.gz NXZFDSISXOUCED-GFCCVEGCSA-N 1 2 249.354 3.231 20 0 BGADLO C[C@H]([NH2+]c1ccc(O[C@@H]2CCOC2)cc1)C1CC1 ZINC000177360636 385227602 /nfs/dbraw/zinc/22/76/02/385227602.db2.gz FQBGDLDIEJAOBC-XHDPSFHLSA-N 1 2 247.338 3.065 20 0 BGADLO C[C@@H]([NH2+]c1ccc(O[C@@H]2CCOC2)cc1)C1CC1 ZINC000177360651 385227741 /nfs/dbraw/zinc/22/77/41/385227741.db2.gz FQBGDLDIEJAOBC-IAQYHMDHSA-N 1 2 247.338 3.065 20 0 BGADLO C[C@H]([NH2+]c1ccc(O[C@H]2CCOC2)cc1)C1CC1 ZINC000177360671 385227503 /nfs/dbraw/zinc/22/75/03/385227503.db2.gz FQBGDLDIEJAOBC-NHYWBVRUSA-N 1 2 247.338 3.065 20 0 BGADLO C[C@@H]([NH2+]c1ccc(O[C@H]2CCOC2)cc1)C1CC1 ZINC000177360688 385228635 /nfs/dbraw/zinc/22/86/35/385228635.db2.gz FQBGDLDIEJAOBC-ABAIWWIYSA-N 1 2 247.338 3.065 20 0 BGADLO CC(C)C[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000177391532 538628919 /nfs/dbraw/zinc/62/89/19/538628919.db2.gz UVNSAPSIFUJIFE-JTQLQIEISA-N 1 2 205.292 3.010 20 0 BGADLO CC(C)C[C@@H]1CCC[N@H+](CC(F)F)C1 ZINC000177391532 538628908 /nfs/dbraw/zinc/62/89/08/538628908.db2.gz UVNSAPSIFUJIFE-JTQLQIEISA-N 1 2 205.292 3.010 20 0 BGADLO CC(C)C[C@H]1CCC[N@@H+](CC(F)F)C1 ZINC000177391546 538951671 /nfs/dbraw/zinc/95/16/71/538951671.db2.gz UVNSAPSIFUJIFE-SNVBAGLBSA-N 1 2 205.292 3.010 20 0 BGADLO CC(C)C[C@H]1CCC[N@H+](CC(F)F)C1 ZINC000177391546 538951669 /nfs/dbraw/zinc/95/16/69/538951669.db2.gz UVNSAPSIFUJIFE-SNVBAGLBSA-N 1 2 205.292 3.010 20 0 BGADLO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(F)F ZINC000177558984 538951804 /nfs/dbraw/zinc/95/18/04/538951804.db2.gz BHUHSRJWRXYOMI-ZYHUDNBSSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(F)F ZINC000177558984 538951803 /nfs/dbraw/zinc/95/18/03/538951803.db2.gz BHUHSRJWRXYOMI-ZYHUDNBSSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(F)F ZINC000177559003 538951811 /nfs/dbraw/zinc/95/18/11/538951811.db2.gz BHUHSRJWRXYOMI-CMPLNLGQSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(F)F ZINC000177559003 538951810 /nfs/dbraw/zinc/95/18/10/538951810.db2.gz BHUHSRJWRXYOMI-CMPLNLGQSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(F)F ZINC000177559012 538951561 /nfs/dbraw/zinc/95/15/61/538951561.db2.gz BHUHSRJWRXYOMI-PWSUYJOCSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(F)F ZINC000177559012 538951560 /nfs/dbraw/zinc/95/15/60/538951560.db2.gz BHUHSRJWRXYOMI-PWSUYJOCSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(F)F ZINC000177559026 538951658 /nfs/dbraw/zinc/95/16/58/538951658.db2.gz BHUHSRJWRXYOMI-JQWIXIFHSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(F)F ZINC000177559026 538951657 /nfs/dbraw/zinc/95/16/57/538951657.db2.gz BHUHSRJWRXYOMI-JQWIXIFHSA-N 1 2 225.282 3.130 20 0 BGADLO Cc1cc(C)c(NC(=O)C2=CCCC2)c(C)[nH+]1 ZINC000177811356 366065206 /nfs/dbraw/zinc/06/52/06/366065206.db2.gz OYLICYXYYBFCEP-UHFFFAOYSA-N 1 2 230.311 3.056 20 0 BGADLO Cc1nc(N2CCCC(C)(C)C2)c(C)c(C)[nH+]1 ZINC000177826130 388492513 /nfs/dbraw/zinc/49/25/13/388492513.db2.gz IJNQOKJJYSWGEM-UHFFFAOYSA-N 1 2 233.359 3.028 20 0 BGADLO CCSCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177827228 385290167 /nfs/dbraw/zinc/29/01/67/385290167.db2.gz ZHLHVBQNVBWRAX-UHFFFAOYSA-N 1 2 218.325 3.125 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cscn2)[C@@H]1c1ccccc1 ZINC000177828350 176310464 /nfs/dbraw/zinc/31/04/64/176310464.db2.gz RPWJQMBNQFTIAT-RISCZKNCSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cscn2)[C@@H]1c1ccccc1 ZINC000177828350 176310463 /nfs/dbraw/zinc/31/04/63/176310463.db2.gz RPWJQMBNQFTIAT-RISCZKNCSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@H]1C[N@@H+](Cc2cscn2)[C@@H]1c1ccccc1 ZINC000177828362 177270258 /nfs/dbraw/zinc/27/02/58/177270258.db2.gz RPWJQMBNQFTIAT-FZMZJTMJSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@H]1C[N@H+](Cc2cscn2)[C@@H]1c1ccccc1 ZINC000177828362 177270256 /nfs/dbraw/zinc/27/02/56/177270256.db2.gz RPWJQMBNQFTIAT-FZMZJTMJSA-N 1 2 244.363 3.336 20 0 BGADLO CC[C@@H](C)C[N@@H+](CC)Cc1noc(C(C)C)n1 ZINC000177859786 385131612 /nfs/dbraw/zinc/13/16/12/385131612.db2.gz MAGKIWWPSQNSPA-LLVKDONJSA-N 1 2 239.363 3.061 20 0 BGADLO CC[C@@H](C)C[N@H+](CC)Cc1noc(C(C)C)n1 ZINC000177859786 385131606 /nfs/dbraw/zinc/13/16/06/385131606.db2.gz MAGKIWWPSQNSPA-LLVKDONJSA-N 1 2 239.363 3.061 20 0 BGADLO CC[C@H](C)C[N@@H+](CC)Cc1noc(C(C)C)n1 ZINC000177859797 385130774 /nfs/dbraw/zinc/13/07/74/385130774.db2.gz MAGKIWWPSQNSPA-NSHDSACASA-N 1 2 239.363 3.061 20 0 BGADLO CC[C@H](C)C[N@H+](CC)Cc1noc(C(C)C)n1 ZINC000177859797 385130770 /nfs/dbraw/zinc/13/07/70/385130770.db2.gz MAGKIWWPSQNSPA-NSHDSACASA-N 1 2 239.363 3.061 20 0 BGADLO COC[C@@H]([NH2+][C@@H](C)c1ccoc1)c1ccc(C)o1 ZINC000178229448 366106453 /nfs/dbraw/zinc/10/64/53/366106453.db2.gz DTVDEGNJKZFQDT-WCQYABFASA-N 1 2 249.310 3.219 20 0 BGADLO COC[C@H]([NH2+][C@@H](C)c1ccoc1)c1ccc(C)o1 ZINC000178229463 366106347 /nfs/dbraw/zinc/10/63/47/366106347.db2.gz DTVDEGNJKZFQDT-AAEUAGOBSA-N 1 2 249.310 3.219 20 0 BGADLO COC[C@@H]([NH2+][C@H](C)c1ccoc1)c1ccc(C)o1 ZINC000178229474 366106368 /nfs/dbraw/zinc/10/63/68/366106368.db2.gz DTVDEGNJKZFQDT-DGCLKSJQSA-N 1 2 249.310 3.219 20 0 BGADLO COC[C@H]([NH2+][C@H](C)c1ccoc1)c1ccc(C)o1 ZINC000178229488 344653731 /nfs/dbraw/zinc/65/37/31/344653731.db2.gz DTVDEGNJKZFQDT-YPMHNXCESA-N 1 2 249.310 3.219 20 0 BGADLO CCSc1cccc(NCc2c[nH+]cn2C)c1 ZINC000178234789 385345403 /nfs/dbraw/zinc/34/54/03/385345403.db2.gz ITYDVYATJMSQPL-UHFFFAOYSA-N 1 2 247.367 3.144 20 0 BGADLO Cl/C=C/C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178528805 385387475 /nfs/dbraw/zinc/38/74/75/385387475.db2.gz FVAKLJLEHKUAJV-XVNBXDOJSA-N 1 2 246.741 3.279 20 0 BGADLO Cl/C=C/C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178528805 385387469 /nfs/dbraw/zinc/38/74/69/385387469.db2.gz FVAKLJLEHKUAJV-XVNBXDOJSA-N 1 2 246.741 3.279 20 0 BGADLO CC(C)[N@@H+](CC(F)F)[C@H]1C=CCCC1 ZINC000178559932 535043687 /nfs/dbraw/zinc/04/36/87/535043687.db2.gz OZIYYAHDLUARKL-JTQLQIEISA-N 1 2 203.276 3.071 20 0 BGADLO CC(C)[N@H+](CC(F)F)[C@H]1C=CCCC1 ZINC000178559932 535043684 /nfs/dbraw/zinc/04/36/84/535043684.db2.gz OZIYYAHDLUARKL-JTQLQIEISA-N 1 2 203.276 3.071 20 0 BGADLO CC(C)[N@@H+](CC(F)F)[C@@H]1C=CCCC1 ZINC000178559945 535043969 /nfs/dbraw/zinc/04/39/69/535043969.db2.gz OZIYYAHDLUARKL-SNVBAGLBSA-N 1 2 203.276 3.071 20 0 BGADLO CC(C)[N@H+](CC(F)F)[C@@H]1C=CCCC1 ZINC000178559945 535043964 /nfs/dbraw/zinc/04/39/64/535043964.db2.gz OZIYYAHDLUARKL-SNVBAGLBSA-N 1 2 203.276 3.071 20 0 BGADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(Cl)s1 ZINC000178596450 385395611 /nfs/dbraw/zinc/39/56/11/385395611.db2.gz QIPJNAITJHLJMB-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000178596450 385395607 /nfs/dbraw/zinc/39/56/07/385395607.db2.gz QIPJNAITJHLJMB-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1OCC[N@@H+](Cc2ccc(Cl)s2)[C@H]1C ZINC000178596462 385396413 /nfs/dbraw/zinc/39/64/13/385396413.db2.gz QIPJNAITJHLJMB-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1OCC[N@H+](Cc2ccc(Cl)s2)[C@H]1C ZINC000178596462 385396411 /nfs/dbraw/zinc/39/64/11/385396411.db2.gz QIPJNAITJHLJMB-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@@H+](Cc2ccc(Cl)s2)[C@@H]1C ZINC000178596474 177398964 /nfs/dbraw/zinc/39/89/64/177398964.db2.gz QIPJNAITJHLJMB-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@H+](Cc2ccc(Cl)s2)[C@@H]1C ZINC000178596474 177398963 /nfs/dbraw/zinc/39/89/63/177398963.db2.gz QIPJNAITJHLJMB-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@@H+](Cc2ccc(Cl)s2)[C@H]1C ZINC000178596482 385396213 /nfs/dbraw/zinc/39/62/13/385396213.db2.gz QIPJNAITJHLJMB-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@H+](Cc2ccc(Cl)s2)[C@H]1C ZINC000178596482 385396210 /nfs/dbraw/zinc/39/62/10/385396210.db2.gz QIPJNAITJHLJMB-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO Cc1ccc(NC(=O)N[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC000178839328 385421455 /nfs/dbraw/zinc/42/14/55/385421455.db2.gz BKHWGPZGWYTEJV-NSHDSACASA-N 1 2 249.358 3.255 20 0 BGADLO Cc1ccc(NC(=O)N[C@H](C)CC(C)C)c(C)[nH+]1 ZINC000178839339 385421132 /nfs/dbraw/zinc/42/11/32/385421132.db2.gz BKHWGPZGWYTEJV-LLVKDONJSA-N 1 2 249.358 3.255 20 0 BGADLO Cc1cc2[nH+]cn(CCCCCCO)c2cc1C ZINC000178850891 178305727 /nfs/dbraw/zinc/30/57/27/178305727.db2.gz PZWQBZKVWHNQCW-UHFFFAOYSA-N 1 2 246.354 3.206 20 0 BGADLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cscn1 ZINC000178860468 176019334 /nfs/dbraw/zinc/01/93/34/176019334.db2.gz IZNVPOILPJYMNG-JTQLQIEISA-N 1 2 248.351 3.042 20 0 BGADLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cscn1 ZINC000178860468 176019333 /nfs/dbraw/zinc/01/93/33/176019333.db2.gz IZNVPOILPJYMNG-JTQLQIEISA-N 1 2 248.351 3.042 20 0 BGADLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cscn1 ZINC000178860477 177037750 /nfs/dbraw/zinc/03/77/50/177037750.db2.gz IZNVPOILPJYMNG-SNVBAGLBSA-N 1 2 248.351 3.042 20 0 BGADLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cscn1 ZINC000178860477 177037749 /nfs/dbraw/zinc/03/77/49/177037749.db2.gz IZNVPOILPJYMNG-SNVBAGLBSA-N 1 2 248.351 3.042 20 0 BGADLO CC[N@@H+](Cc1noc(C2CCCCC2)n1)C1CC1 ZINC000178911142 344685013 /nfs/dbraw/zinc/68/50/13/344685013.db2.gz YGORQAASRFVIKF-UHFFFAOYSA-N 1 2 249.358 3.102 20 0 BGADLO CC[N@H+](Cc1noc(C2CCCCC2)n1)C1CC1 ZINC000178911142 344685011 /nfs/dbraw/zinc/68/50/11/344685011.db2.gz YGORQAASRFVIKF-UHFFFAOYSA-N 1 2 249.358 3.102 20 0 BGADLO CC1(c2ccccc2)CC[NH+](CC(F)F)CC1 ZINC000178986286 538954379 /nfs/dbraw/zinc/95/43/79/538954379.db2.gz CQKUWPLBKYOSRL-UHFFFAOYSA-N 1 2 239.309 3.305 20 0 BGADLO C[C@@H](c1ccco1)[N@@H+](Cc1cscn1)C1CC1 ZINC000179000514 176033470 /nfs/dbraw/zinc/03/34/70/176033470.db2.gz NOQKVFWDRUDWNL-JTQLQIEISA-N 1 2 248.351 3.462 20 0 BGADLO C[C@@H](c1ccco1)[N@H+](Cc1cscn1)C1CC1 ZINC000179000514 176033469 /nfs/dbraw/zinc/03/34/69/176033469.db2.gz NOQKVFWDRUDWNL-JTQLQIEISA-N 1 2 248.351 3.462 20 0 BGADLO C[C@H](c1ccco1)[N@@H+](Cc1cscn1)C1CC1 ZINC000179000521 177049411 /nfs/dbraw/zinc/04/94/11/177049411.db2.gz NOQKVFWDRUDWNL-SNVBAGLBSA-N 1 2 248.351 3.462 20 0 BGADLO C[C@H](c1ccco1)[N@H+](Cc1cscn1)C1CC1 ZINC000179000521 177049410 /nfs/dbraw/zinc/04/94/10/177049410.db2.gz NOQKVFWDRUDWNL-SNVBAGLBSA-N 1 2 248.351 3.462 20 0 BGADLO Cc1oc2ccccc2c1C[NH2+]Cc1cocn1 ZINC000179006283 366198471 /nfs/dbraw/zinc/19/84/71/366198471.db2.gz VYXTWAOAWZMRQW-UHFFFAOYSA-N 1 2 242.278 3.019 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2nccs2)c(C)c1 ZINC000179185721 385448890 /nfs/dbraw/zinc/44/88/90/385448890.db2.gz YBCHCEXYVKIWQF-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2nccs2)c(C)c1 ZINC000179185721 385448886 /nfs/dbraw/zinc/44/88/86/385448886.db2.gz YBCHCEXYVKIWQF-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cccc2c1CC[N@@H+](Cc1nccs1)C2 ZINC000179211535 711796293 /nfs/dbraw/zinc/79/62/93/711796293.db2.gz BSTKUTFITKVWSL-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1cccc2c1CC[N@H+](Cc1nccs1)C2 ZINC000179211535 711796292 /nfs/dbraw/zinc/79/62/92/711796292.db2.gz BSTKUTFITKVWSL-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1nccs1 ZINC000179222841 366226687 /nfs/dbraw/zinc/22/66/87/366226687.db2.gz FVCRRBBTPBSYJG-LLVKDONJSA-N 1 2 244.363 3.090 20 0 BGADLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nccs1 ZINC000179222841 366226685 /nfs/dbraw/zinc/22/66/85/366226685.db2.gz FVCRRBBTPBSYJG-LLVKDONJSA-N 1 2 244.363 3.090 20 0 BGADLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1nccs1 ZINC000179222850 366227017 /nfs/dbraw/zinc/22/70/17/366227017.db2.gz FVCRRBBTPBSYJG-NSHDSACASA-N 1 2 244.363 3.090 20 0 BGADLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1nccs1 ZINC000179222850 366227014 /nfs/dbraw/zinc/22/70/14/366227014.db2.gz FVCRRBBTPBSYJG-NSHDSACASA-N 1 2 244.363 3.090 20 0 BGADLO CCOc1ccc([NH2+]CCCCOC)c(C)c1 ZINC000179278298 385456786 /nfs/dbraw/zinc/45/67/86/385456786.db2.gz MRYMXKMWGYTZBH-UHFFFAOYSA-N 1 2 237.343 3.232 20 0 BGADLO COCCCC[NH2+]c1ccc(OCC2CC2)cc1 ZINC000179283080 174205115 /nfs/dbraw/zinc/20/51/15/174205115.db2.gz KWRYAUNZFUBRSB-UHFFFAOYSA-N 1 2 249.354 3.314 20 0 BGADLO CC[N@@H+](Cc1cnc[nH]1)Cc1cccc(Cl)c1 ZINC000179313203 386634749 /nfs/dbraw/zinc/63/47/49/386634749.db2.gz JUZQPFXJUGSOTI-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO CC[N@H+](Cc1cnc[nH]1)Cc1cccc(Cl)c1 ZINC000179313203 386634741 /nfs/dbraw/zinc/63/47/41/386634741.db2.gz JUZQPFXJUGSOTI-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO Cc1cc(NC(=O)N2CCC[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000179358311 178137347 /nfs/dbraw/zinc/13/73/47/178137347.db2.gz DWJKFJCHORBBEZ-JQWIXIFHSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(NC(=O)N2CCC[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000179358319 178137867 /nfs/dbraw/zinc/13/78/67/178137867.db2.gz DWJKFJCHORBBEZ-PWSUYJOCSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(NC(=O)N2CCC[C@H](C)[C@H]2C)cc[nH+]1 ZINC000179358332 178137735 /nfs/dbraw/zinc/13/77/35/178137735.db2.gz DWJKFJCHORBBEZ-CMPLNLGQSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(NC(=O)N2CCC[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000179358344 178137419 /nfs/dbraw/zinc/13/74/19/178137419.db2.gz DWJKFJCHORBBEZ-ZYHUDNBSSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](C)[C@@H]1C ZINC000179358406 366248687 /nfs/dbraw/zinc/24/86/87/366248687.db2.gz YOISTQQIUNPJQY-JQWIXIFHSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000179358417 366248422 /nfs/dbraw/zinc/24/84/22/366248422.db2.gz YOISTQQIUNPJQY-PWSUYJOCSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](C)[C@H]1C ZINC000179358432 366248511 /nfs/dbraw/zinc/24/85/11/366248511.db2.gz YOISTQQIUNPJQY-CMPLNLGQSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](C)[C@H]1C ZINC000179358445 366248344 /nfs/dbraw/zinc/24/83/44/366248344.db2.gz YOISTQQIUNPJQY-ZYHUDNBSSA-N 1 2 247.342 3.042 20 0 BGADLO CCC[C@@H]1CCCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000179522366 535411207 /nfs/dbraw/zinc/41/12/07/535411207.db2.gz XSSQZHSWEFQDCN-GFCCVEGCSA-N 1 2 249.358 3.102 20 0 BGADLO CCC[C@@H]1CCCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000179522366 535411205 /nfs/dbraw/zinc/41/12/05/535411205.db2.gz XSSQZHSWEFQDCN-GFCCVEGCSA-N 1 2 249.358 3.102 20 0 BGADLO CCC[C@H]1CCCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000179522376 134321393 /nfs/dbraw/zinc/32/13/93/134321393.db2.gz XSSQZHSWEFQDCN-LBPRGKRZSA-N 1 2 249.358 3.102 20 0 BGADLO CCC[C@H]1CCCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000179522376 134321392 /nfs/dbraw/zinc/32/13/92/134321392.db2.gz XSSQZHSWEFQDCN-LBPRGKRZSA-N 1 2 249.358 3.102 20 0 BGADLO CCc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)o1 ZINC000179566101 259304553 /nfs/dbraw/zinc/30/45/53/259304553.db2.gz XVOKHZDXZIZUFB-LBPRGKRZSA-N 1 2 244.338 3.220 20 0 BGADLO CCc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)o1 ZINC000179566101 259304551 /nfs/dbraw/zinc/30/45/51/259304551.db2.gz XVOKHZDXZIZUFB-LBPRGKRZSA-N 1 2 244.338 3.220 20 0 BGADLO CCc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)o1 ZINC000179566116 259304514 /nfs/dbraw/zinc/30/45/14/259304514.db2.gz XVOKHZDXZIZUFB-GFCCVEGCSA-N 1 2 244.338 3.220 20 0 BGADLO CCc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)o1 ZINC000179566116 259304512 /nfs/dbraw/zinc/30/45/12/259304512.db2.gz XVOKHZDXZIZUFB-GFCCVEGCSA-N 1 2 244.338 3.220 20 0 BGADLO Cc1cnc(C[NH2+]C(C)(C)c2cccc(F)c2)o1 ZINC000179574508 366272055 /nfs/dbraw/zinc/27/20/55/366272055.db2.gz GAKUYGAGXSOGPK-UHFFFAOYSA-N 1 2 248.301 3.147 20 0 BGADLO Cc1cc(C[NH2+]C(C)(C)c2cccc(F)c2)no1 ZINC000179576449 178016462 /nfs/dbraw/zinc/01/64/62/178016462.db2.gz UWWKDQBSVPFQNR-UHFFFAOYSA-N 1 2 248.301 3.147 20 0 BGADLO Cc1cnc(C[NH2+]C(C)(C)c2cccc(C)c2)o1 ZINC000179591591 179028079 /nfs/dbraw/zinc/02/80/79/179028079.db2.gz CPNFTGOFSKYNQP-UHFFFAOYSA-N 1 2 244.338 3.316 20 0 BGADLO Cc1cccc(C(C)(C)[NH2+]CC(F)F)c1 ZINC000179593542 538955516 /nfs/dbraw/zinc/95/55/16/538955516.db2.gz GICYUAADCZRASN-UHFFFAOYSA-N 1 2 213.271 3.085 20 0 BGADLO CC(C)c1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000179604290 385478395 /nfs/dbraw/zinc/47/83/95/385478395.db2.gz SIHUZZWFZZTFLM-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)c1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000179604290 385478394 /nfs/dbraw/zinc/47/83/94/385478394.db2.gz SIHUZZWFZZTFLM-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)([NH2+]CC(F)F)c1cccc(Cl)c1 ZINC000179605427 538955458 /nfs/dbraw/zinc/95/54/58/538955458.db2.gz XVHYUMYSVHWJBQ-UHFFFAOYSA-N 1 2 233.689 3.430 20 0 BGADLO Clc1cccc(C2([NH2+]Cc3ccon3)CC2)c1 ZINC000179673203 385482154 /nfs/dbraw/zinc/48/21/54/385482154.db2.gz ATHQMVJEINRGCC-UHFFFAOYSA-N 1 2 248.713 3.107 20 0 BGADLO FC(F)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179674599 538114885 /nfs/dbraw/zinc/11/48/85/538114885.db2.gz NNOAUAJDBRXBNZ-UHFFFAOYSA-N 1 2 231.673 3.184 20 0 BGADLO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(F)F)c1 ZINC000179676985 538955243 /nfs/dbraw/zinc/95/52/43/538955243.db2.gz YXORURFDRNXMNT-SNVBAGLBSA-N 1 2 243.297 3.390 20 0 BGADLO CC(C)Oc1cccc([C@H](C)[NH2+]CC(F)F)c1 ZINC000179676998 538955641 /nfs/dbraw/zinc/95/56/41/538955641.db2.gz YXORURFDRNXMNT-JTQLQIEISA-N 1 2 243.297 3.390 20 0 BGADLO CCOc1ccccc1[C@H](CC)[NH2+]CC(F)F ZINC000179747401 538956266 /nfs/dbraw/zinc/95/62/66/538956266.db2.gz LDFAWSHESPUUDC-NSHDSACASA-N 1 2 243.297 3.391 20 0 BGADLO CCOc1ccccc1[C@@H](CC)[NH2+]CC(F)F ZINC000179747410 538955978 /nfs/dbraw/zinc/95/59/78/538955978.db2.gz LDFAWSHESPUUDC-LLVKDONJSA-N 1 2 243.297 3.391 20 0 BGADLO CC[C@H](Nc1ccc(C)cc1F)c1[nH+]ccn1C ZINC000179769344 385490261 /nfs/dbraw/zinc/49/02/61/385490261.db2.gz MLTDJMKYRFQWSL-LBPRGKRZSA-N 1 2 247.317 3.431 20 0 BGADLO CC[C@@H](Nc1ccc(C)cc1F)c1[nH+]ccn1C ZINC000179769358 346996152 /nfs/dbraw/zinc/99/61/52/346996152.db2.gz MLTDJMKYRFQWSL-GFCCVEGCSA-N 1 2 247.317 3.431 20 0 BGADLO CC[C@H](Nc1cc(C)ccc1F)c1[nH+]ccn1C ZINC000179772723 385489788 /nfs/dbraw/zinc/48/97/88/385489788.db2.gz UJHJKQGVVBKTAQ-LBPRGKRZSA-N 1 2 247.317 3.431 20 0 BGADLO CC[C@@H](Nc1cc(C)ccc1F)c1[nH+]ccn1C ZINC000179772737 346997083 /nfs/dbraw/zinc/99/70/83/346997083.db2.gz UJHJKQGVVBKTAQ-GFCCVEGCSA-N 1 2 247.317 3.431 20 0 BGADLO Cc1cc(NC(=O)N(CC(C)C)C2CC2)cc[nH+]1 ZINC000179803798 178136008 /nfs/dbraw/zinc/13/60/08/178136008.db2.gz UNGMBIZIOVCLGH-UHFFFAOYSA-N 1 2 247.342 3.042 20 0 BGADLO COCCOc1ccc([NH2+][C@@H](C)C2CCC2)cc1 ZINC000179812383 174368529 /nfs/dbraw/zinc/36/85/29/174368529.db2.gz GTKFQGOWZFERDD-LBPRGKRZSA-N 1 2 249.354 3.312 20 0 BGADLO COCCOc1ccc([NH2+][C@H](C)C2CCC2)cc1 ZINC000179812395 174368593 /nfs/dbraw/zinc/36/85/93/174368593.db2.gz GTKFQGOWZFERDD-GFCCVEGCSA-N 1 2 249.354 3.312 20 0 BGADLO Cc1cc(NC(=O)NCCC2CCCC2)cc[nH+]1 ZINC000179815317 134323359 /nfs/dbraw/zinc/32/33/59/134323359.db2.gz MGKOMVRZBVMUOS-UHFFFAOYSA-N 1 2 247.342 3.092 20 0 BGADLO Cc1cc(NC(=O)N2CCC[C@H](C)CC2)cc[nH+]1 ZINC000179829930 178137310 /nfs/dbraw/zinc/13/73/10/178137310.db2.gz IQCCMHUSRYIHEN-NSHDSACASA-N 1 2 247.342 3.044 20 0 BGADLO Cc1cc(NC(=O)N2CCC[C@@H](C)CC2)cc[nH+]1 ZINC000179829943 178137361 /nfs/dbraw/zinc/13/73/61/178137361.db2.gz IQCCMHUSRYIHEN-LLVKDONJSA-N 1 2 247.342 3.044 20 0 BGADLO Cc1cc(NC(=O)N[C@@H](C)C2CCCC2)cc[nH+]1 ZINC000179834151 178140611 /nfs/dbraw/zinc/14/06/11/178140611.db2.gz FHAMTHSQOOAIPA-NSHDSACASA-N 1 2 247.342 3.090 20 0 BGADLO Cc1cc(NC(=O)N[C@H](C)C2CCCC2)cc[nH+]1 ZINC000179834164 178142004 /nfs/dbraw/zinc/14/20/04/178142004.db2.gz FHAMTHSQOOAIPA-LLVKDONJSA-N 1 2 247.342 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N(CC(C)C)C1CC1 ZINC000179848598 385493652 /nfs/dbraw/zinc/49/36/52/385493652.db2.gz SJCSQWCHMCXLGV-UHFFFAOYSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)NCCC1CCCC1 ZINC000179857518 385496428 /nfs/dbraw/zinc/49/64/28/385496428.db2.gz YGBZDGYGOMDAGG-UHFFFAOYSA-N 1 2 247.342 3.092 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H](C)CC1 ZINC000179866273 385495554 /nfs/dbraw/zinc/49/55/54/385495554.db2.gz NFULTZKPVWMOCJ-NSHDSACASA-N 1 2 247.342 3.044 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H](C)CC1 ZINC000179866290 385495305 /nfs/dbraw/zinc/49/53/05/385495305.db2.gz NFULTZKPVWMOCJ-LLVKDONJSA-N 1 2 247.342 3.044 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)C1CCCC1 ZINC000179873232 385495696 /nfs/dbraw/zinc/49/56/96/385495696.db2.gz BRQLPHPXGIHVPC-NSHDSACASA-N 1 2 247.342 3.090 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)C1CCCC1 ZINC000179873257 385495419 /nfs/dbraw/zinc/49/54/19/385495419.db2.gz BRQLPHPXGIHVPC-LLVKDONJSA-N 1 2 247.342 3.090 20 0 BGADLO c1[nH+]c2ccccn2c1CSc1ccncc1 ZINC000179906147 398246321 /nfs/dbraw/zinc/24/63/21/398246321.db2.gz AHIOACHBEFGYMV-UHFFFAOYSA-N 1 2 241.319 3.022 20 0 BGADLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)C1CC1 ZINC000179916901 347003410 /nfs/dbraw/zinc/00/34/10/347003410.db2.gz WMYXNBUESDJFMX-LBPRGKRZSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)C1CC1 ZINC000179916917 366334009 /nfs/dbraw/zinc/33/40/09/366334009.db2.gz WMYXNBUESDJFMX-GFCCVEGCSA-N 1 2 245.370 3.282 20 0 BGADLO CC[C@@H](C)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000179918524 366334846 /nfs/dbraw/zinc/33/48/46/366334846.db2.gz BQAZPYQVRQIUON-GFCCVEGCSA-N 1 2 233.359 3.282 20 0 BGADLO CC[C@H](C)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000179918539 366334883 /nfs/dbraw/zinc/33/48/83/366334883.db2.gz BQAZPYQVRQIUON-LBPRGKRZSA-N 1 2 233.359 3.282 20 0 BGADLO Cc1cccc(N[C@@H](C)c2[nH+]ccn2C)c1F ZINC000179929536 366336776 /nfs/dbraw/zinc/33/67/76/366336776.db2.gz NURQUIIJRHFLDI-JTQLQIEISA-N 1 2 233.290 3.041 20 0 BGADLO Cc1cccc(N[C@H](C)c2[nH+]ccn2C)c1F ZINC000179929555 366336389 /nfs/dbraw/zinc/33/63/89/366336389.db2.gz NURQUIIJRHFLDI-SNVBAGLBSA-N 1 2 233.290 3.041 20 0 BGADLO CC[C@@H]1C[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CCO1 ZINC000179930663 259305837 /nfs/dbraw/zinc/30/58/37/259305837.db2.gz BGSMICRXEQJIOL-OUCADQQQSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CCO1 ZINC000179930663 259305834 /nfs/dbraw/zinc/30/58/34/259305834.db2.gz BGSMICRXEQJIOL-OUCADQQQSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@H](Nc1cccc(C)c1F)c1[nH+]ccn1C ZINC000179930733 385500818 /nfs/dbraw/zinc/50/08/18/385500818.db2.gz YWJOIQBSKLWRAQ-NSHDSACASA-N 1 2 247.317 3.431 20 0 BGADLO CC[C@@H](Nc1cccc(C)c1F)c1[nH+]ccn1C ZINC000179930858 347004248 /nfs/dbraw/zinc/00/42/48/347004248.db2.gz YWJOIQBSKLWRAQ-LLVKDONJSA-N 1 2 247.317 3.431 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2cc(F)ccc2C)no1 ZINC000179938801 410910865 /nfs/dbraw/zinc/91/08/65/410910865.db2.gz LYZGXTYSMJMVJB-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2cc(F)ccc2C)no1 ZINC000179938801 410910858 /nfs/dbraw/zinc/91/08/58/410910858.db2.gz LYZGXTYSMJMVJB-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Fc1c(Cl)cccc1C[NH+]1CCSCC1 ZINC000179948296 259305565 /nfs/dbraw/zinc/30/55/65/259305565.db2.gz NMONMSOFMOQLOS-UHFFFAOYSA-N 1 2 245.750 3.028 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000179958119 538956900 /nfs/dbraw/zinc/95/69/00/538956900.db2.gz JFHJZLJPYYLKCL-SECBINFHSA-N 1 2 249.745 3.222 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000179958138 538956858 /nfs/dbraw/zinc/95/68/58/538956858.db2.gz JFHJZLJPYYLKCL-VIFPVBQESA-N 1 2 249.745 3.222 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000179975291 538956430 /nfs/dbraw/zinc/95/64/30/538956430.db2.gz RIZZHOZQICPCON-WDEREUQCSA-N 1 2 229.327 3.130 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000179975300 538957017 /nfs/dbraw/zinc/95/70/17/538957017.db2.gz RIZZHOZQICPCON-QWRGUYRKSA-N 1 2 229.327 3.130 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000179975312 538957012 /nfs/dbraw/zinc/95/70/12/538957012.db2.gz RIZZHOZQICPCON-GHMZBOCLSA-N 1 2 229.327 3.130 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000179975322 538957030 /nfs/dbraw/zinc/95/70/30/538957030.db2.gz RIZZHOZQICPCON-MNOVXSKESA-N 1 2 229.327 3.130 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000179975453 538956989 /nfs/dbraw/zinc/95/69/89/538956989.db2.gz DJDFGDOKSUUXJE-SECBINFHSA-N 1 2 249.745 3.222 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000179975466 538956976 /nfs/dbraw/zinc/95/69/76/538956976.db2.gz DJDFGDOKSUUXJE-VIFPVBQESA-N 1 2 249.745 3.222 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000179976926 385263387 /nfs/dbraw/zinc/26/33/87/385263387.db2.gz IMOJYSHAXYMWIL-NEPJUHHUSA-N 1 2 243.354 3.438 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000179976956 385263218 /nfs/dbraw/zinc/26/32/18/385263218.db2.gz IMOJYSHAXYMWIL-VXGBXAGGSA-N 1 2 243.354 3.438 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000180027976 541507118 /nfs/dbraw/zinc/50/71/18/541507118.db2.gz JDCSCCSDBPPQFZ-JTQLQIEISA-N 1 2 247.317 3.016 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000180027990 541507187 /nfs/dbraw/zinc/50/71/87/541507187.db2.gz JDCSCCSDBPPQFZ-SNVBAGLBSA-N 1 2 247.317 3.016 20 0 BGADLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cnc[nH]1 ZINC000180036973 176016876 /nfs/dbraw/zinc/01/68/76/176016876.db2.gz PPWMTZODZOJKRT-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1cnc[nH]1 ZINC000180036973 176016875 /nfs/dbraw/zinc/01/68/75/176016875.db2.gz PPWMTZODZOJKRT-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cnc[nH]1 ZINC000180036989 177037003 /nfs/dbraw/zinc/03/70/03/177037003.db2.gz PPWMTZODZOJKRT-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1cnc[nH]1 ZINC000180036989 177037002 /nfs/dbraw/zinc/03/70/02/177037002.db2.gz PPWMTZODZOJKRT-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnc[nH]1 ZINC000180049583 176014174 /nfs/dbraw/zinc/01/41/74/176014174.db2.gz AZZWPYAURZEOIP-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnc[nH]1 ZINC000180049583 176014173 /nfs/dbraw/zinc/01/41/73/176014173.db2.gz AZZWPYAURZEOIP-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnc[nH]1 ZINC000180049598 177032635 /nfs/dbraw/zinc/03/26/35/177032635.db2.gz AZZWPYAURZEOIP-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cnc[nH]1 ZINC000180049598 177032634 /nfs/dbraw/zinc/03/26/34/177032634.db2.gz AZZWPYAURZEOIP-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO CCCc1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000180050205 397855616 /nfs/dbraw/zinc/85/56/16/397855616.db2.gz FNALTLWLWZTRGL-UHFFFAOYSA-N 1 2 230.311 3.079 20 0 BGADLO CCCC[C@@H](CC)COCc1[nH]cc[nH+]1 ZINC000180055691 541506976 /nfs/dbraw/zinc/50/69/76/541506976.db2.gz QOTOGGVINWQZKQ-LLVKDONJSA-N 1 2 210.321 3.143 20 0 BGADLO CCCC[C@H](CC)COCc1[nH]cc[nH+]1 ZINC000180055705 541507101 /nfs/dbraw/zinc/50/71/01/541507101.db2.gz QOTOGGVINWQZKQ-NSHDSACASA-N 1 2 210.321 3.143 20 0 BGADLO c1c[nH+]c(COCc2ccc3ccccc3c2)[nH]1 ZINC000180056919 345923340 /nfs/dbraw/zinc/92/33/40/345923340.db2.gz ODIBGYZKTGQECM-UHFFFAOYSA-N 1 2 238.290 3.280 20 0 BGADLO Cc1scc(C(=O)Nc2cc[nH+]cc2C)c1C ZINC000180078341 366371763 /nfs/dbraw/zinc/37/17/63/366371763.db2.gz NBFGTEWUPYZKQD-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO CC(C)CCCSCc1[nH+]ccn1C ZINC000180093328 385507980 /nfs/dbraw/zinc/50/79/80/385507980.db2.gz FPQURKZWRXJCSE-UHFFFAOYSA-N 1 2 212.362 3.090 20 0 BGADLO CC(C)CCCSCCn1cc[nH+]c1 ZINC000180100059 366376431 /nfs/dbraw/zinc/37/64/31/366376431.db2.gz SWPRVJCZPPCGDI-UHFFFAOYSA-N 1 2 212.362 3.053 20 0 BGADLO CCc1ccc(C(C)(C)[NH2+]CC(F)F)cc1 ZINC000180102268 538957349 /nfs/dbraw/zinc/95/73/49/538957349.db2.gz OEGDHYMCSAITBI-UHFFFAOYSA-N 1 2 227.298 3.339 20 0 BGADLO CCc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2C)s1 ZINC000180123317 538957117 /nfs/dbraw/zinc/95/71/17/538957117.db2.gz IGRYDTOUDNHUPY-VIFPVBQESA-N 1 2 249.383 3.193 20 0 BGADLO CCc1ccc(C[NH2+][C@H](C)c2cn[nH]c2C)s1 ZINC000180123333 538957240 /nfs/dbraw/zinc/95/72/40/538957240.db2.gz IGRYDTOUDNHUPY-SECBINFHSA-N 1 2 249.383 3.193 20 0 BGADLO CCC[C@@H](C)C[N@@H+](CC(F)F)C1CC1 ZINC000180155372 366386348 /nfs/dbraw/zinc/38/63/48/366386348.db2.gz BHCUKIQOHWWRFG-SECBINFHSA-N 1 2 205.292 3.152 20 0 BGADLO CCC[C@@H](C)C[N@H+](CC(F)F)C1CC1 ZINC000180155372 366386341 /nfs/dbraw/zinc/38/63/41/366386341.db2.gz BHCUKIQOHWWRFG-SECBINFHSA-N 1 2 205.292 3.152 20 0 BGADLO CCC[C@H](C)C[N@@H+](CC(F)F)C1CC1 ZINC000180155388 366386658 /nfs/dbraw/zinc/38/66/58/366386658.db2.gz BHCUKIQOHWWRFG-VIFPVBQESA-N 1 2 205.292 3.152 20 0 BGADLO CCC[C@H](C)C[N@H+](CC(F)F)C1CC1 ZINC000180155388 366386652 /nfs/dbraw/zinc/38/66/52/366386652.db2.gz BHCUKIQOHWWRFG-VIFPVBQESA-N 1 2 205.292 3.152 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000180161314 538957324 /nfs/dbraw/zinc/95/73/24/538957324.db2.gz LRDSAJMQYVDICH-LBPRGKRZSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000180161326 538957488 /nfs/dbraw/zinc/95/74/88/538957488.db2.gz LRDSAJMQYVDICH-GFCCVEGCSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000180167905 538957380 /nfs/dbraw/zinc/95/73/80/538957380.db2.gz LYBISEJVDWTCIJ-NEPJUHHUSA-N 1 2 243.354 3.438 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000180167917 538957424 /nfs/dbraw/zinc/95/74/24/538957424.db2.gz LYBISEJVDWTCIJ-RYUDHWBXSA-N 1 2 243.354 3.438 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000180167933 538957647 /nfs/dbraw/zinc/95/76/47/538957647.db2.gz LYBISEJVDWTCIJ-VXGBXAGGSA-N 1 2 243.354 3.438 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000180167949 538957330 /nfs/dbraw/zinc/95/73/30/538957330.db2.gz LYBISEJVDWTCIJ-NWDGAFQWSA-N 1 2 243.354 3.438 20 0 BGADLO Fc1c[nH+]ccc1NCc1ccc(Cl)cc1 ZINC000180186864 385384648 /nfs/dbraw/zinc/38/46/48/385384648.db2.gz RQCZLISATYURFK-UHFFFAOYSA-N 1 2 236.677 3.486 20 0 BGADLO Fc1c[nH+]ccc1NCc1ccccc1Cl ZINC000180187025 385385932 /nfs/dbraw/zinc/38/59/32/385385932.db2.gz RJCKBQVKESXEGJ-UHFFFAOYSA-N 1 2 236.677 3.486 20 0 BGADLO Fc1c[nH+]ccc1NCc1cccc(Cl)c1 ZINC000180187051 385385031 /nfs/dbraw/zinc/38/50/31/385385031.db2.gz IMDAFPIAMOEUDS-UHFFFAOYSA-N 1 2 236.677 3.486 20 0 BGADLO Cc1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000180187530 385384924 /nfs/dbraw/zinc/38/49/24/385384924.db2.gz WHPFXPOUNOZUFJ-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1ccccc1CNc1cc[nH+]cc1F ZINC000180188758 385385957 /nfs/dbraw/zinc/38/59/57/385385957.db2.gz AUFLAVUPXRPJMM-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO Cc1ccc(CNc2cc[nH+]cc2F)cc1F ZINC000180189773 366392514 /nfs/dbraw/zinc/39/25/14/366392514.db2.gz FGWWXWUEHGFYQG-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1cc(CNc2cc[nH+]cc2F)ccc1F ZINC000180189990 538957124 /nfs/dbraw/zinc/95/71/24/538957124.db2.gz OYTHXHFFRHJHPC-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO CCC[NH2+][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000180273352 384471828 /nfs/dbraw/zinc/47/18/28/384471828.db2.gz JEMQDYQVDKKHRV-ZDUSSCGKSA-N 1 2 249.354 3.069 20 0 BGADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000180302512 385518275 /nfs/dbraw/zinc/51/82/75/385518275.db2.gz QPANYGBSRBOGRZ-MWLCHTKSSA-N 1 2 220.316 3.011 20 0 BGADLO CC[C@H](C)[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000180302525 171360672 /nfs/dbraw/zinc/36/06/72/171360672.db2.gz QPANYGBSRBOGRZ-GXSJLCMTSA-N 1 2 220.316 3.011 20 0 BGADLO CC[C@@H](C)[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000180302543 385518298 /nfs/dbraw/zinc/51/82/98/385518298.db2.gz QPANYGBSRBOGRZ-KOLCDFICSA-N 1 2 220.316 3.011 20 0 BGADLO CC[C@H](C)[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000180302562 171385343 /nfs/dbraw/zinc/38/53/43/171385343.db2.gz QPANYGBSRBOGRZ-ONGXEEELSA-N 1 2 220.316 3.011 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C1C[C@H](C)C[C@H](C)C1 ZINC000180302825 385518152 /nfs/dbraw/zinc/51/81/52/385518152.db2.gz KDOJVIPAVIEASP-QYJAPNMZSA-N 1 2 246.354 3.401 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000180302842 385517573 /nfs/dbraw/zinc/51/75/73/385517573.db2.gz KDOJVIPAVIEASP-QWRGUYRKSA-N 1 2 246.354 3.401 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000180302857 385518565 /nfs/dbraw/zinc/51/85/65/385518565.db2.gz KDOJVIPAVIEASP-GHMZBOCLSA-N 1 2 246.354 3.401 20 0 BGADLO C=CCCC[N@H+](C)Cc1cccc(Cl)c1O ZINC000180343104 642788763 /nfs/dbraw/zinc/78/87/63/642788763.db2.gz CJUMMPHQZUFKBS-UHFFFAOYSA-N 1 2 239.746 3.444 20 0 BGADLO C=CCCC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180343104 642788757 /nfs/dbraw/zinc/78/87/57/642788757.db2.gz CJUMMPHQZUFKBS-UHFFFAOYSA-N 1 2 239.746 3.444 20 0 BGADLO CCCSCc1[nH+]cc(C)c(OC)c1C ZINC000180361863 366434298 /nfs/dbraw/zinc/43/42/98/366434298.db2.gz KFXRKEKAXXNXBZ-UHFFFAOYSA-N 1 2 225.357 3.350 20 0 BGADLO COc1c(C)c[nH+]c(CSC(C)C)c1C ZINC000180378726 366438720 /nfs/dbraw/zinc/43/87/20/366438720.db2.gz TZVHYUMSIDKYKN-UHFFFAOYSA-N 1 2 225.357 3.349 20 0 BGADLO COc1c(C)c[nH+]c(CSCC2CC2)c1C ZINC000180406279 366448142 /nfs/dbraw/zinc/44/81/42/366448142.db2.gz MRTLOJYLJMRYAO-UHFFFAOYSA-N 1 2 237.368 3.350 20 0 BGADLO COc1c(C)c[nH+]c(CSCCCF)c1C ZINC000180406547 385521935 /nfs/dbraw/zinc/52/19/35/385521935.db2.gz FHBBBRYJCOAXOO-UHFFFAOYSA-N 1 2 243.347 3.300 20 0 BGADLO Cc1cnc(C[N@H+]2CCc3ccccc3C2)s1 ZINC000180409692 385521808 /nfs/dbraw/zinc/52/18/08/385521808.db2.gz LDXVRRACULPNGL-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1cnc(C[N@@H+]2CCc3ccccc3C2)s1 ZINC000180409692 385521805 /nfs/dbraw/zinc/52/18/05/385521805.db2.gz LDXVRRACULPNGL-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000180420375 385521081 /nfs/dbraw/zinc/52/10/81/385521081.db2.gz VYZFBDKQGUHGNS-MWLCHTKSSA-N 1 2 234.343 3.319 20 0 BGADLO CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000180420391 171361163 /nfs/dbraw/zinc/36/11/63/171361163.db2.gz VYZFBDKQGUHGNS-GXSJLCMTSA-N 1 2 234.343 3.319 20 0 BGADLO CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000180420406 385521520 /nfs/dbraw/zinc/52/15/20/385521520.db2.gz VYZFBDKQGUHGNS-KOLCDFICSA-N 1 2 234.343 3.319 20 0 BGADLO CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000180420425 171385156 /nfs/dbraw/zinc/38/51/56/171385156.db2.gz VYZFBDKQGUHGNS-ONGXEEELSA-N 1 2 234.343 3.319 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2ccc(C)cc2)s1 ZINC000180421372 385520869 /nfs/dbraw/zinc/52/08/69/385520869.db2.gz QWZCDURQOBSKNH-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2ccc(C)cc2)s1 ZINC000180421372 385520867 /nfs/dbraw/zinc/52/08/67/385520867.db2.gz QWZCDURQOBSKNH-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2ccccc2)s1 ZINC000180421726 385520853 /nfs/dbraw/zinc/52/08/53/385520853.db2.gz SGHSLFDGXBHDNY-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2ccccc2)s1 ZINC000180421726 385520851 /nfs/dbraw/zinc/52/08/51/385520851.db2.gz SGHSLFDGXBHDNY-UHFFFAOYSA-N 1 2 232.352 3.084 20 0 BGADLO Fc1ccc(SCCCn2cc[nH+]c2)cc1 ZINC000180426704 385523013 /nfs/dbraw/zinc/52/30/13/385523013.db2.gz ZXNPBAUDDUCHIR-UHFFFAOYSA-N 1 2 236.315 3.205 20 0 BGADLO Fc1ccccc1SCCCn1cc[nH+]c1 ZINC000180427018 134326915 /nfs/dbraw/zinc/32/69/15/134326915.db2.gz VHVPOVVXHKJEIE-UHFFFAOYSA-N 1 2 236.315 3.205 20 0 BGADLO c1cn(CCCSC2CCCCC2)c[nH+]1 ZINC000180428558 385522492 /nfs/dbraw/zinc/52/24/92/385522492.db2.gz YTQUQUJZRACPMT-UHFFFAOYSA-N 1 2 224.373 3.339 20 0 BGADLO COc1ccc(SCCCn2cc[nH+]c2)cc1 ZINC000180432127 175174988 /nfs/dbraw/zinc/17/49/88/175174988.db2.gz VQYTVMVWTNPAIS-UHFFFAOYSA-N 1 2 248.351 3.074 20 0 BGADLO COc1cccc(SCCCn2cc[nH+]c2)c1 ZINC000180435032 175285379 /nfs/dbraw/zinc/28/53/79/175285379.db2.gz PHXRXEAVXLIBEY-UHFFFAOYSA-N 1 2 248.351 3.074 20 0 BGADLO c1csc(SCCCn2cc[nH+]c2)c1 ZINC000180435598 385523501 /nfs/dbraw/zinc/52/35/01/385523501.db2.gz VWEIDRKUADWBKV-UHFFFAOYSA-N 1 2 224.354 3.127 20 0 BGADLO Cc1ccccc1SCCCn1cc[nH+]c1 ZINC000180435865 187308028 /nfs/dbraw/zinc/30/80/28/187308028.db2.gz PUYYRDILOUKQKK-UHFFFAOYSA-N 1 2 232.352 3.374 20 0 BGADLO COc1ccccc1SCCCn1cc[nH+]c1 ZINC000180436019 175343955 /nfs/dbraw/zinc/34/39/55/175343955.db2.gz TYFDFKGSFSARBC-UHFFFAOYSA-N 1 2 248.351 3.074 20 0 BGADLO Cc1cccc(SCCCn2cc[nH+]c2)c1 ZINC000180436042 179176709 /nfs/dbraw/zinc/17/67/09/179176709.db2.gz WDASCPZZWVTTMA-UHFFFAOYSA-N 1 2 232.352 3.374 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccco2)s1 ZINC000180450348 179586066 /nfs/dbraw/zinc/58/60/66/179586066.db2.gz CRINKIJATDWLSC-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccco2)s1 ZINC000180450348 179586063 /nfs/dbraw/zinc/58/60/63/179586063.db2.gz CRINKIJATDWLSC-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccco2)s1 ZINC000180450368 385523304 /nfs/dbraw/zinc/52/33/04/385523304.db2.gz CRINKIJATDWLSC-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccco2)s1 ZINC000180450368 385523302 /nfs/dbraw/zinc/52/33/02/385523302.db2.gz CRINKIJATDWLSC-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO CCCCc1nc(C[NH+](C(C)C)C(C)C)no1 ZINC000180453852 535095600 /nfs/dbraw/zinc/09/56/00/535095600.db2.gz HBLMCNKPDSGOCM-UHFFFAOYSA-N 1 2 239.363 3.031 20 0 BGADLO C[N@@H+](C/C=C/Cl)Cc1cc(F)c(F)c(F)c1 ZINC000180489614 385524978 /nfs/dbraw/zinc/52/49/78/385524978.db2.gz JOGCBACTVJTAJC-NSCUHMNNSA-N 1 2 249.663 3.288 20 0 BGADLO C[N@H+](C/C=C/Cl)Cc1cc(F)c(F)c(F)c1 ZINC000180489614 385524976 /nfs/dbraw/zinc/52/49/76/385524976.db2.gz JOGCBACTVJTAJC-NSCUHMNNSA-N 1 2 249.663 3.288 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000180532452 711888470 /nfs/dbraw/zinc/88/84/70/711888470.db2.gz YMQVPRLRVHKOHQ-UVMWJGKXSA-N 1 2 241.338 3.082 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000180532475 711888418 /nfs/dbraw/zinc/88/84/18/711888418.db2.gz YMQVPRLRVHKOHQ-LZGFCCKTSA-N 1 2 241.338 3.082 20 0 BGADLO CCc1ccc(NCc2c[nH+]cn2C)cc1CC ZINC000180592419 366516441 /nfs/dbraw/zinc/51/64/41/366516441.db2.gz NAFMMGLRTFATEX-UHFFFAOYSA-N 1 2 243.354 3.157 20 0 BGADLO CCc1ccccc1C[NH2+][C@@H](C)c1cn[nH]c1C ZINC000180603084 538958083 /nfs/dbraw/zinc/95/80/83/538958083.db2.gz BJDJTSYFPXEFCV-NSHDSACASA-N 1 2 243.354 3.131 20 0 BGADLO CCc1ccccc1C[NH2+][C@H](C)c1cn[nH]c1C ZINC000180603103 538958220 /nfs/dbraw/zinc/95/82/20/538958220.db2.gz BJDJTSYFPXEFCV-LLVKDONJSA-N 1 2 243.354 3.131 20 0 BGADLO CCOc1cccc([C@@H](C)[NH2+]CC(F)F)c1 ZINC000180708316 538958912 /nfs/dbraw/zinc/95/89/12/538958912.db2.gz LHRAGSKJYBNXDA-SECBINFHSA-N 1 2 229.270 3.001 20 0 BGADLO CCOc1cccc([C@H](C)[NH2+]CC(F)F)c1 ZINC000180708335 538959155 /nfs/dbraw/zinc/95/91/55/538959155.db2.gz LHRAGSKJYBNXDA-VIFPVBQESA-N 1 2 229.270 3.001 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccncc2)s1 ZINC000180787648 385546901 /nfs/dbraw/zinc/54/69/01/385546901.db2.gz RGVGWMKWERVZPL-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccncc2)s1 ZINC000180787648 385546897 /nfs/dbraw/zinc/54/68/97/385546897.db2.gz RGVGWMKWERVZPL-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccncc2)s1 ZINC000180787666 385547743 /nfs/dbraw/zinc/54/77/43/385547743.db2.gz RGVGWMKWERVZPL-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccncc2)s1 ZINC000180787666 385547740 /nfs/dbraw/zinc/54/77/40/385547740.db2.gz RGVGWMKWERVZPL-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2cccnc2)s1 ZINC000180796651 385546920 /nfs/dbraw/zinc/54/69/20/385546920.db2.gz QMBATYINTFYBIN-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2cccnc2)s1 ZINC000180796651 385546914 /nfs/dbraw/zinc/54/69/14/385546914.db2.gz QMBATYINTFYBIN-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@H](C)c2cccnc2)s1 ZINC000180796668 385547880 /nfs/dbraw/zinc/54/78/80/385547880.db2.gz QMBATYINTFYBIN-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2cccnc2)s1 ZINC000180796668 385547876 /nfs/dbraw/zinc/54/78/76/385547876.db2.gz QMBATYINTFYBIN-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2ccccn2)s1 ZINC000180812271 385547816 /nfs/dbraw/zinc/54/78/16/385547816.db2.gz MSEHGCXNMLMQTH-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2ccccn2)s1 ZINC000180812271 385547814 /nfs/dbraw/zinc/54/78/14/385547814.db2.gz MSEHGCXNMLMQTH-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@H](C)c2ccccn2)s1 ZINC000180812292 385547774 /nfs/dbraw/zinc/54/77/74/385547774.db2.gz MSEHGCXNMLMQTH-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2ccccn2)s1 ZINC000180812292 385547771 /nfs/dbraw/zinc/54/77/71/385547771.db2.gz MSEHGCXNMLMQTH-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO CC(C)([NH2+]CC(F)F)c1ccc(F)c(F)c1 ZINC000180874106 538958919 /nfs/dbraw/zinc/95/89/19/538958919.db2.gz QXWRUGJRROWKHY-UHFFFAOYSA-N 1 2 235.224 3.055 20 0 BGADLO C=C(C)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000181043514 642834342 /nfs/dbraw/zinc/83/43/42/642834342.db2.gz RVXFURQIJPACGA-UHFFFAOYSA-N 1 2 225.719 3.054 20 0 BGADLO C=C(C)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000181043514 642834339 /nfs/dbraw/zinc/83/43/39/642834339.db2.gz RVXFURQIJPACGA-UHFFFAOYSA-N 1 2 225.719 3.054 20 0 BGADLO CC[C@@H](C)[C@@H](C)[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000181148151 384460644 /nfs/dbraw/zinc/46/06/44/384460644.db2.gz CLVZSCVOQWPPIO-VXGBXAGGSA-N 1 2 244.342 3.114 20 0 BGADLO CC[C@H](C)[C@@H](C)[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000181148165 384461285 /nfs/dbraw/zinc/46/12/85/384461285.db2.gz CLVZSCVOQWPPIO-NWDGAFQWSA-N 1 2 244.342 3.114 20 0 BGADLO CC[C@@H](C)[C@H](C)[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000181148188 384460912 /nfs/dbraw/zinc/46/09/12/384460912.db2.gz CLVZSCVOQWPPIO-NEPJUHHUSA-N 1 2 244.342 3.114 20 0 BGADLO CC[C@H](C)[C@H](C)[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000181148203 384461625 /nfs/dbraw/zinc/46/16/25/384461625.db2.gz CLVZSCVOQWPPIO-RYUDHWBXSA-N 1 2 244.342 3.114 20 0 BGADLO CC[C@H]([NH2+]c1ccc(-n2ccnn2)cc1)C(C)C ZINC000181148228 366790801 /nfs/dbraw/zinc/79/08/01/366790801.db2.gz FBYQBGHXMGIMGZ-AWEZNQCLSA-N 1 2 244.342 3.114 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(-n2ccnn2)cc1)C(C)C ZINC000181148244 366790855 /nfs/dbraw/zinc/79/08/55/366790855.db2.gz FBYQBGHXMGIMGZ-CQSZACIVSA-N 1 2 244.342 3.114 20 0 BGADLO c1ccc(N[C@@H]2CC23CCCCC3)[nH+]c1 ZINC000181264053 385405036 /nfs/dbraw/zinc/40/50/36/385405036.db2.gz SJSWABNGEJGQDJ-LLVKDONJSA-N 1 2 202.301 3.216 20 0 BGADLO c1ccc(N[C@H]2CC23CCCCC3)[nH+]c1 ZINC000181264076 385404318 /nfs/dbraw/zinc/40/43/18/385404318.db2.gz SJSWABNGEJGQDJ-NSHDSACASA-N 1 2 202.301 3.216 20 0 BGADLO CO[C@@H]1CCc2[nH+]c3ccccc3c(C)c2C1 ZINC000181306984 385570652 /nfs/dbraw/zinc/57/06/52/385570652.db2.gz MCENBOJTNOOZSU-LLVKDONJSA-N 1 2 227.307 3.047 20 0 BGADLO CO[C@H]1CCc2[nH+]c3ccccc3c(C)c2C1 ZINC000181307003 385569781 /nfs/dbraw/zinc/56/97/81/385569781.db2.gz MCENBOJTNOOZSU-NSHDSACASA-N 1 2 227.307 3.047 20 0 BGADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000181317705 385569870 /nfs/dbraw/zinc/56/98/70/385569870.db2.gz CWNOHMVGASMZES-MWLCHTKSSA-N 1 2 220.316 3.011 20 0 BGADLO CC[C@H](C)[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000181317719 171360970 /nfs/dbraw/zinc/36/09/70/171360970.db2.gz CWNOHMVGASMZES-GXSJLCMTSA-N 1 2 220.316 3.011 20 0 BGADLO CC[C@@H](C)[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000181317735 385569987 /nfs/dbraw/zinc/56/99/87/385569987.db2.gz CWNOHMVGASMZES-KOLCDFICSA-N 1 2 220.316 3.011 20 0 BGADLO CC[C@H](C)[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000181317755 171385509 /nfs/dbraw/zinc/38/55/09/171385509.db2.gz CWNOHMVGASMZES-ONGXEEELSA-N 1 2 220.316 3.011 20 0 BGADLO CC(C)c1nc(C[NH2+][C@@H](C)c2ccccc2)no1 ZINC000181361495 385572370 /nfs/dbraw/zinc/57/23/70/385572370.db2.gz OYTKGGPFSGDFSP-NSHDSACASA-N 1 2 245.326 3.044 20 0 BGADLO CC(C)c1nc(C[NH2+][C@H](C)c2ccccc2)no1 ZINC000181361511 385572377 /nfs/dbraw/zinc/57/23/77/385572377.db2.gz OYTKGGPFSGDFSP-LLVKDONJSA-N 1 2 245.326 3.044 20 0 BGADLO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccoc1 ZINC000181367406 366805381 /nfs/dbraw/zinc/80/53/81/366805381.db2.gz JEPPPHXIVHKGAS-VIFPVBQESA-N 1 2 248.351 3.464 20 0 BGADLO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccoc1 ZINC000181367422 366806007 /nfs/dbraw/zinc/80/60/07/366806007.db2.gz JEPPPHXIVHKGAS-SECBINFHSA-N 1 2 248.351 3.464 20 0 BGADLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccccc2)o1 ZINC000181369369 385574145 /nfs/dbraw/zinc/57/41/45/385574145.db2.gz AYSRIQUGEXQPLR-NSHDSACASA-N 1 2 245.326 3.044 20 0 BGADLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccccc2)o1 ZINC000181369388 385573653 /nfs/dbraw/zinc/57/36/53/385573653.db2.gz AYSRIQUGEXQPLR-LLVKDONJSA-N 1 2 245.326 3.044 20 0 BGADLO CCCSCc1cn2c(cccc2C)[nH+]1 ZINC000181476861 134337032 /nfs/dbraw/zinc/33/70/32/134337032.db2.gz ZOUMWELBPQVJGY-UHFFFAOYSA-N 1 2 220.341 3.286 20 0 BGADLO Cc1cccc2[nH+]c(CSC(C)C)cn21 ZINC000181484223 179230105 /nfs/dbraw/zinc/23/01/05/179230105.db2.gz SNELYVWQQGDRQD-UHFFFAOYSA-N 1 2 220.341 3.284 20 0 BGADLO C/C=C/CSCc1cn2c(cccc2C)[nH+]1 ZINC000181485744 134337235 /nfs/dbraw/zinc/33/72/35/134337235.db2.gz ZHTMEKZWKZVDKT-ONEGZZNKSA-N 1 2 232.352 3.452 20 0 BGADLO Cc1cccc2[nH+]c(CSCC3CC3)cn21 ZINC000181491556 134337049 /nfs/dbraw/zinc/33/70/49/134337049.db2.gz GFGIEGWFHIXJRO-UHFFFAOYSA-N 1 2 232.352 3.286 20 0 BGADLO Cc1cccc2[nH+]c(CSCCCF)cn21 ZINC000181491775 179229765 /nfs/dbraw/zinc/22/97/65/179229765.db2.gz HESGXAXNVQHXQA-UHFFFAOYSA-N 1 2 238.331 3.236 20 0 BGADLO C[C@H]([NH2+]C/C(Cl)=C/Cl)c1cccc(O)c1 ZINC000181495380 397808607 /nfs/dbraw/zinc/80/86/07/397808607.db2.gz WGXYLINTEPBJHH-KZSPTFSBSA-N 1 2 246.137 3.362 20 0 BGADLO C[C@@H]([NH2+]C/C(Cl)=C/Cl)c1cccc(O)c1 ZINC000181495400 397808513 /nfs/dbraw/zinc/80/85/13/397808513.db2.gz WGXYLINTEPBJHH-NDVARNPJSA-N 1 2 246.137 3.362 20 0 BGADLO Cc1cc2[nH+]cn(CCOCC3CC3)c2cc1C ZINC000181538050 134337585 /nfs/dbraw/zinc/33/75/85/134337585.db2.gz FVSLDGUKHFKNRY-UHFFFAOYSA-N 1 2 244.338 3.080 20 0 BGADLO Cc1cnc(C[NH2+][C@H](C)c2ccccc2C)o1 ZINC000181550041 385583199 /nfs/dbraw/zinc/58/31/99/385583199.db2.gz TYVGVRDLWDXGPE-GFCCVEGCSA-N 1 2 230.311 3.142 20 0 BGADLO CC[N@@H+](Cc1nc(C2CCCCC2)no1)C1CC1 ZINC000181608515 538960706 /nfs/dbraw/zinc/96/07/06/538960706.db2.gz WGFPVXQJGTZIRS-UHFFFAOYSA-N 1 2 249.358 3.102 20 0 BGADLO CC[N@H+](Cc1nc(C2CCCCC2)no1)C1CC1 ZINC000181608515 538960704 /nfs/dbraw/zinc/96/07/04/538960704.db2.gz WGFPVXQJGTZIRS-UHFFFAOYSA-N 1 2 249.358 3.102 20 0 BGADLO CCOCCOc1cc(CC)[nH+]c2ccccc21 ZINC000181734226 366844090 /nfs/dbraw/zinc/84/40/90/366844090.db2.gz MLKPBPNAXIXELS-UHFFFAOYSA-N 1 2 245.322 3.213 20 0 BGADLO CCc1cc(OC[C@@H](C)OC)c2ccccc2[nH+]1 ZINC000181734249 366844450 /nfs/dbraw/zinc/84/44/50/366844450.db2.gz WUOBIJRHCOODCS-LLVKDONJSA-N 1 2 245.322 3.211 20 0 BGADLO CCc1cc(OC[C@H](C)OC)c2ccccc2[nH+]1 ZINC000181734266 366844010 /nfs/dbraw/zinc/84/40/10/366844010.db2.gz WUOBIJRHCOODCS-NSHDSACASA-N 1 2 245.322 3.211 20 0 BGADLO CCC[C@H]([NH2+]Cc1noc(C)n1)c1ccccc1 ZINC000181768651 385604255 /nfs/dbraw/zinc/60/42/55/385604255.db2.gz BWHLXRPBWGPSNY-ZDUSSCGKSA-N 1 2 245.326 3.009 20 0 BGADLO CCC[C@@H]([NH2+]Cc1noc(C)n1)c1ccccc1 ZINC000181768669 385603461 /nfs/dbraw/zinc/60/34/61/385603461.db2.gz BWHLXRPBWGPSNY-CYBMUJFWSA-N 1 2 245.326 3.009 20 0 BGADLO c1cn(-c2cccc(OC3CCCC3)c2)c[nH+]1 ZINC000181887897 366852667 /nfs/dbraw/zinc/85/26/67/366852667.db2.gz OASJRFRAKWEBJP-UHFFFAOYSA-N 1 2 228.295 3.194 20 0 BGADLO CCCCCOC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181979270 642935612 /nfs/dbraw/zinc/93/56/12/642935612.db2.gz WMEOQELRADRAGI-CQSZACIVSA-N 1 2 249.354 3.023 20 0 BGADLO CCCCCOC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181979357 642935120 /nfs/dbraw/zinc/93/51/20/642935120.db2.gz WMEOQELRADRAGI-AWEZNQCLSA-N 1 2 249.354 3.023 20 0 BGADLO CCC[C@@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181997151 642941444 /nfs/dbraw/zinc/94/14/44/642941444.db2.gz DNONXBZJTOQZME-TZMCWYRMSA-N 1 2 249.354 3.021 20 0 BGADLO CCC[C@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000181997173 642942272 /nfs/dbraw/zinc/94/22/72/642942272.db2.gz DNONXBZJTOQZME-GXTWGEPZSA-N 1 2 249.354 3.021 20 0 BGADLO CCC[C@@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181997189 642942591 /nfs/dbraw/zinc/94/25/91/642942591.db2.gz DNONXBZJTOQZME-OCCSQVGLSA-N 1 2 249.354 3.021 20 0 BGADLO CCC[C@H](C)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000181997210 642941886 /nfs/dbraw/zinc/94/18/86/642941886.db2.gz DNONXBZJTOQZME-JSGCOSHPSA-N 1 2 249.354 3.021 20 0 BGADLO CC(C)c1noc(C[NH2+][C@@H](C)c2ccccc2)n1 ZINC000182034408 385630577 /nfs/dbraw/zinc/63/05/77/385630577.db2.gz JRJTYEQRMCBAFN-NSHDSACASA-N 1 2 245.326 3.044 20 0 BGADLO CCc1ccc(NCc2[nH]cc[nH+]2)cc1CC ZINC000182044775 345057817 /nfs/dbraw/zinc/05/78/17/345057817.db2.gz JINMGEXXERBWHK-UHFFFAOYSA-N 1 2 229.327 3.147 20 0 BGADLO COc1ccc([C@@H]([NH2+]CC(F)F)C(C)C)cc1 ZINC000182055266 538961581 /nfs/dbraw/zinc/96/15/81/538961581.db2.gz IMFHXXZCLNOBJO-ZDUSSCGKSA-N 1 2 243.297 3.247 20 0 BGADLO COc1ccc([C@H]([NH2+]CC(F)F)C(C)C)cc1 ZINC000182055288 538961680 /nfs/dbraw/zinc/96/16/80/538961680.db2.gz IMFHXXZCLNOBJO-CYBMUJFWSA-N 1 2 243.297 3.247 20 0 BGADLO CC(C)c1noc(C[NH2+][C@H](C)c2ccccc2)n1 ZINC000182056431 385632838 /nfs/dbraw/zinc/63/28/38/385632838.db2.gz JRJTYEQRMCBAFN-LLVKDONJSA-N 1 2 245.326 3.044 20 0 BGADLO Clc1cccc2c1CC[C@@H]2[NH2+]Cc1cocn1 ZINC000182061012 385632548 /nfs/dbraw/zinc/63/25/48/385632548.db2.gz DMOYACXVAVHUNU-ZDUSSCGKSA-N 1 2 248.713 3.105 20 0 BGADLO Clc1cccc2c1CC[C@H]2[NH2+]Cc1cocn1 ZINC000182061033 385633373 /nfs/dbraw/zinc/63/33/73/385633373.db2.gz DMOYACXVAVHUNU-CYBMUJFWSA-N 1 2 248.713 3.105 20 0 BGADLO C[C@H]([NH2+]Cc1cocn1)c1ccc(Cl)cc1 ZINC000182061908 385428597 /nfs/dbraw/zinc/42/85/97/385428597.db2.gz ZHVGAZALPBQVJP-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(Cl)cc1 ZINC000182061927 385428766 /nfs/dbraw/zinc/42/87/66/385428766.db2.gz ZHVGAZALPBQVJP-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO c1nc(C[NH2+][C@@H]2CCSc3ccccc32)co1 ZINC000182071186 385428487 /nfs/dbraw/zinc/42/84/87/385428487.db2.gz FQUSMGKKYOGTGO-GFCCVEGCSA-N 1 2 246.335 3.001 20 0 BGADLO c1nc(C[NH2+][C@H]2CCSc3ccccc32)co1 ZINC000182071205 385428460 /nfs/dbraw/zinc/42/84/60/385428460.db2.gz FQUSMGKKYOGTGO-LBPRGKRZSA-N 1 2 246.335 3.001 20 0 BGADLO Clc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cocn1 ZINC000182071738 366864937 /nfs/dbraw/zinc/86/49/37/366864937.db2.gz BSBSAKPIMNCFTC-ZDUSSCGKSA-N 1 2 248.713 3.105 20 0 BGADLO Clc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cocn1 ZINC000182071759 366864964 /nfs/dbraw/zinc/86/49/64/366864964.db2.gz BSBSAKPIMNCFTC-CYBMUJFWSA-N 1 2 248.713 3.105 20 0 BGADLO C[C@H]([NH2+]Cc1cocn1)c1ccc(Cl)s1 ZINC000182076961 385428287 /nfs/dbraw/zinc/42/82/87/385428287.db2.gz FFLVLCPWLSBYCB-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@@H]([NH2+]Cc1cocn1)c1ccc(Cl)s1 ZINC000182076982 385428070 /nfs/dbraw/zinc/42/80/70/385428070.db2.gz FFLVLCPWLSBYCB-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO CSCCCCCCNc1cc[nH+]c(C)n1 ZINC000182100001 385635912 /nfs/dbraw/zinc/63/59/12/385635912.db2.gz CBRFZHVXOPNZAE-UHFFFAOYSA-N 1 2 239.388 3.120 20 0 BGADLO CSCCCCCCNc1cccc[nH+]1 ZINC000182101342 385430158 /nfs/dbraw/zinc/43/01/58/385430158.db2.gz BKRNIPDUTTZBTP-UHFFFAOYSA-N 1 2 224.373 3.417 20 0 BGADLO Clc1ccccc1CCCn1cc[nH+]c1 ZINC000182104661 385635903 /nfs/dbraw/zinc/63/59/03/385635903.db2.gz DTCREJAMDPHUSK-UHFFFAOYSA-N 1 2 220.703 3.169 20 0 BGADLO CC[C@@H](C)[NH2+]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000182141450 385637509 /nfs/dbraw/zinc/63/75/09/385637509.db2.gz BNRIAVXOMDYPDF-DOMZBBRYSA-N 1 2 249.354 3.455 20 0 BGADLO CC[C@H](C)[NH2+]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000182141469 187308904 /nfs/dbraw/zinc/30/89/04/187308904.db2.gz BNRIAVXOMDYPDF-WFASDCNBSA-N 1 2 249.354 3.455 20 0 BGADLO CC[C@@H](C)[NH2+]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000182141486 385638151 /nfs/dbraw/zinc/63/81/51/385638151.db2.gz BNRIAVXOMDYPDF-IUODEOHRSA-N 1 2 249.354 3.455 20 0 BGADLO CC[C@H](C)[NH2+]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000182141503 385637626 /nfs/dbraw/zinc/63/76/26/385637626.db2.gz BNRIAVXOMDYPDF-SWLSCSKDSA-N 1 2 249.354 3.455 20 0 BGADLO CC(C)[C@@H](C)[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000182196392 167385290 /nfs/dbraw/zinc/38/52/90/167385290.db2.gz YUXNLMYCAUGSQE-IUODEOHRSA-N 1 2 249.354 3.311 20 0 BGADLO CC(C)[C@H](C)[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000182196409 385642561 /nfs/dbraw/zinc/64/25/61/385642561.db2.gz YUXNLMYCAUGSQE-SWLSCSKDSA-N 1 2 249.354 3.311 20 0 BGADLO CC(C)[C@@H](C)[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000182196429 167385294 /nfs/dbraw/zinc/38/52/94/167385294.db2.gz YUXNLMYCAUGSQE-DOMZBBRYSA-N 1 2 249.354 3.311 20 0 BGADLO CC(C)[C@H](C)[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000182196448 385642965 /nfs/dbraw/zinc/64/29/65/385642965.db2.gz YUXNLMYCAUGSQE-WFASDCNBSA-N 1 2 249.354 3.311 20 0 BGADLO CCC[C@H]([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000182333247 134344031 /nfs/dbraw/zinc/34/40/31/134344031.db2.gz ITVKAKVGTLKPTA-ZDUSSCGKSA-N 1 2 245.326 3.009 20 0 BGADLO CCC[C@@H]([NH2+]Cc1nnc(C)o1)c1ccccc1 ZINC000182333267 134344090 /nfs/dbraw/zinc/34/40/90/134344090.db2.gz ITVKAKVGTLKPTA-CYBMUJFWSA-N 1 2 245.326 3.009 20 0 BGADLO Cc1cnc(C[NH2+][C@H](C)c2ccc(C)cc2)o1 ZINC000182333514 385437885 /nfs/dbraw/zinc/43/78/85/385437885.db2.gz JQCNXISAXZCZGN-GFCCVEGCSA-N 1 2 230.311 3.142 20 0 BGADLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C)cc2)o1 ZINC000182333536 385438393 /nfs/dbraw/zinc/43/83/93/385438393.db2.gz JQCNXISAXZCZGN-LBPRGKRZSA-N 1 2 230.311 3.142 20 0 BGADLO CCOc1ccc([NH2+][C@@H](C)CCCOC)cc1 ZINC000182463746 385449432 /nfs/dbraw/zinc/44/94/32/385449432.db2.gz KPFOUQLONPAHTE-LBPRGKRZSA-N 1 2 237.343 3.312 20 0 BGADLO CCOc1ccc([NH2+][C@H](C)CCCOC)cc1 ZINC000182463763 385449095 /nfs/dbraw/zinc/44/90/95/385449095.db2.gz KPFOUQLONPAHTE-GFCCVEGCSA-N 1 2 237.343 3.312 20 0 BGADLO C[C@H]([NH2+]c1ccc(N(C)C)cc1)C1CCC1 ZINC000182489687 643026577 /nfs/dbraw/zinc/02/65/77/643026577.db2.gz XOOFPWZBNXVMTF-NSHDSACASA-N 1 2 218.344 3.353 20 0 BGADLO C[C@@H]([NH2+]c1ccc(N(C)C)cc1)C1CCC1 ZINC000182489703 643025706 /nfs/dbraw/zinc/02/57/06/643025706.db2.gz XOOFPWZBNXVMTF-LLVKDONJSA-N 1 2 218.344 3.353 20 0 BGADLO CC[C@H](Nc1cccc(C)c1)c1[nH+]ccn1C ZINC000182649531 385691042 /nfs/dbraw/zinc/69/10/42/385691042.db2.gz XBFDMIGTEZIWRO-ZDUSSCGKSA-N 1 2 229.327 3.292 20 0 BGADLO CC[C@@H](Nc1cccc(C)c1)c1[nH+]ccn1C ZINC000182649551 347101230 /nfs/dbraw/zinc/10/12/30/347101230.db2.gz XBFDMIGTEZIWRO-CYBMUJFWSA-N 1 2 229.327 3.292 20 0 BGADLO CC[C@H](Nc1ccc(F)cc1)c1[nH+]ccn1C ZINC000182666179 366928983 /nfs/dbraw/zinc/92/89/83/366928983.db2.gz YGZQQNTWPPFPQU-LBPRGKRZSA-N 1 2 233.290 3.122 20 0 BGADLO CC[C@@H](Nc1ccc(F)cc1)c1[nH+]ccn1C ZINC000182666201 366929235 /nfs/dbraw/zinc/92/92/35/366929235.db2.gz YGZQQNTWPPFPQU-GFCCVEGCSA-N 1 2 233.290 3.122 20 0 BGADLO CC[C@H](Nc1ccc(C)cc1)c1[nH+]ccn1C ZINC000182670950 397863258 /nfs/dbraw/zinc/86/32/58/397863258.db2.gz AJRXCHGMNBNZGT-ZDUSSCGKSA-N 1 2 229.327 3.292 20 0 BGADLO CC[C@@H](Nc1ccc(C)cc1)c1[nH+]ccn1C ZINC000182670968 397863178 /nfs/dbraw/zinc/86/31/78/397863178.db2.gz AJRXCHGMNBNZGT-CYBMUJFWSA-N 1 2 229.327 3.292 20 0 BGADLO CC[C@H](Nc1cccc(F)c1)c1[nH+]ccn1C ZINC000182683187 171551383 /nfs/dbraw/zinc/55/13/83/171551383.db2.gz IENMVFSTYPABGI-LBPRGKRZSA-N 1 2 233.290 3.122 20 0 BGADLO CC[C@@H](Nc1cccc(F)c1)c1[nH+]ccn1C ZINC000182683205 347103166 /nfs/dbraw/zinc/10/31/66/347103166.db2.gz IENMVFSTYPABGI-GFCCVEGCSA-N 1 2 233.290 3.122 20 0 BGADLO Cc1cc(CNc2cc[nH+]c(C)n2)ccc1Cl ZINC000182715471 366934822 /nfs/dbraw/zinc/93/48/22/366934822.db2.gz UFQNOJJWFAHWKB-UHFFFAOYSA-N 1 2 247.729 3.359 20 0 BGADLO CC[C@H](Nc1cc(C)cc(F)c1)c1[nH+]ccn1C ZINC000182755069 366937492 /nfs/dbraw/zinc/93/74/92/366937492.db2.gz JRACPTWIDIZIJR-ZDUSSCGKSA-N 1 2 247.317 3.431 20 0 BGADLO CC[C@@H](Nc1cc(C)cc(F)c1)c1[nH+]ccn1C ZINC000182755085 366937833 /nfs/dbraw/zinc/93/78/33/366937833.db2.gz JRACPTWIDIZIJR-CYBMUJFWSA-N 1 2 247.317 3.431 20 0 BGADLO COCCC[C@H](C)[NH2+]c1ccc(OC)cc1C ZINC000182762723 174264969 /nfs/dbraw/zinc/26/49/69/174264969.db2.gz SRLNVHOFAYNVTD-LBPRGKRZSA-N 1 2 237.343 3.231 20 0 BGADLO COCCC[C@@H](C)[NH2+]c1ccc(OC)cc1C ZINC000182762744 174261508 /nfs/dbraw/zinc/26/15/08/174261508.db2.gz SRLNVHOFAYNVTD-GFCCVEGCSA-N 1 2 237.343 3.231 20 0 BGADLO CC[C@H](Nc1ccc(C)c(F)c1)c1[nH+]ccn1C ZINC000182763759 366939764 /nfs/dbraw/zinc/93/97/64/366939764.db2.gz LYLVHDRIELDJOV-ZDUSSCGKSA-N 1 2 247.317 3.431 20 0 BGADLO CC[C@@H](Nc1ccc(C)c(F)c1)c1[nH+]ccn1C ZINC000182763776 366939273 /nfs/dbraw/zinc/93/92/73/366939273.db2.gz LYLVHDRIELDJOV-CYBMUJFWSA-N 1 2 247.317 3.431 20 0 BGADLO C[C@H](Nc1cccc(-n2cc[nH+]c2)c1)C1CCC1 ZINC000182866512 346817970 /nfs/dbraw/zinc/81/79/70/346817970.db2.gz BSXFWLQMTTWDNQ-LBPRGKRZSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@@H](Nc1cccc(-n2cc[nH+]c2)c1)C1CCC1 ZINC000182866533 346817788 /nfs/dbraw/zinc/81/77/88/346817788.db2.gz BSXFWLQMTTWDNQ-GFCCVEGCSA-N 1 2 241.338 3.473 20 0 BGADLO CC(C)N(CCCn1cc[nH+]c1)c1ccccc1 ZINC000182877709 366954379 /nfs/dbraw/zinc/95/43/79/366954379.db2.gz WQWPUAIYLARGEF-UHFFFAOYSA-N 1 2 243.354 3.188 20 0 BGADLO COCCC[C@H](C)[NH2+]c1ccc(C)cc1OC ZINC000182898128 538964545 /nfs/dbraw/zinc/96/45/45/538964545.db2.gz VMXCKWILSNKGBT-LBPRGKRZSA-N 1 2 237.343 3.231 20 0 BGADLO COCCC[C@@H](C)[NH2+]c1ccc(C)cc1OC ZINC000182898144 538964618 /nfs/dbraw/zinc/96/46/18/538964618.db2.gz VMXCKWILSNKGBT-GFCCVEGCSA-N 1 2 237.343 3.231 20 0 BGADLO CCOc1ccc([NH2+][C@@H](C)C2CCC2)cc1CO ZINC000182902367 385487363 /nfs/dbraw/zinc/48/73/63/385487363.db2.gz FRWVSDDTWOFHMH-NSHDSACASA-N 1 2 249.354 3.178 20 0 BGADLO CCOc1ccc([NH2+][C@H](C)C2CCC2)cc1CO ZINC000182902387 385486456 /nfs/dbraw/zinc/48/64/56/385486456.db2.gz FRWVSDDTWOFHMH-LLVKDONJSA-N 1 2 249.354 3.178 20 0 BGADLO Cc1ccc(N[C@@H](C)c2cccc(CO)c2)c[nH+]1 ZINC000182907300 385720814 /nfs/dbraw/zinc/72/08/14/385720814.db2.gz FIMZFUDXHORKMF-LBPRGKRZSA-N 1 2 242.322 3.055 20 0 BGADLO Cc1ccc(N[C@H](C)c2cccc(CO)c2)c[nH+]1 ZINC000182907320 385720643 /nfs/dbraw/zinc/72/06/43/385720643.db2.gz FIMZFUDXHORKMF-GFCCVEGCSA-N 1 2 242.322 3.055 20 0 BGADLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000182908729 385720770 /nfs/dbraw/zinc/72/07/70/385720770.db2.gz WCPYNVQKIKNLBW-JTQLQIEISA-N 1 2 245.301 3.222 20 0 BGADLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000182908752 385720063 /nfs/dbraw/zinc/72/00/63/385720063.db2.gz WCPYNVQKIKNLBW-SNVBAGLBSA-N 1 2 245.301 3.222 20 0 BGADLO Cc1ccc(N[C@@H](C)c2cncc(F)c2)c[nH+]1 ZINC000182909906 366956064 /nfs/dbraw/zinc/95/60/64/366956064.db2.gz WSTMTLDWDLHUIT-JTQLQIEISA-N 1 2 231.274 3.097 20 0 BGADLO Cc1ccc(N[C@H](C)c2cncc(F)c2)c[nH+]1 ZINC000182909930 366955601 /nfs/dbraw/zinc/95/56/01/366955601.db2.gz WSTMTLDWDLHUIT-SNVBAGLBSA-N 1 2 231.274 3.097 20 0 BGADLO CC(C)[C@@H](C)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000182910122 366955767 /nfs/dbraw/zinc/95/57/67/366955767.db2.gz RESJNDUXPAASCI-LLVKDONJSA-N 1 2 247.317 3.468 20 0 BGADLO CC(C)[C@H](C)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000182910141 366955995 /nfs/dbraw/zinc/95/59/95/366955995.db2.gz RESJNDUXPAASCI-NSHDSACASA-N 1 2 247.317 3.468 20 0 BGADLO Cc1ccc(N[C@@H](C)c2cnn(C(C)C)c2)c[nH+]1 ZINC000182911395 385720928 /nfs/dbraw/zinc/72/09/28/385720928.db2.gz NKSMNNOVAIDAPL-LBPRGKRZSA-N 1 2 244.342 3.341 20 0 BGADLO Cc1ccc(N[C@H](C)c2cnn(C(C)C)c2)c[nH+]1 ZINC000182911416 385721046 /nfs/dbraw/zinc/72/10/46/385721046.db2.gz NKSMNNOVAIDAPL-GFCCVEGCSA-N 1 2 244.342 3.341 20 0 BGADLO Cc1cnc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)o1 ZINC000182914940 385720838 /nfs/dbraw/zinc/72/08/38/385720838.db2.gz URZZVXNPWBRCOF-CYBMUJFWSA-N 1 2 244.338 3.451 20 0 BGADLO Cc1cnc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)o1 ZINC000182914958 385720766 /nfs/dbraw/zinc/72/07/66/385720766.db2.gz URZZVXNPWBRCOF-ZDUSSCGKSA-N 1 2 244.338 3.451 20 0 BGADLO C[C@H]([NH2+]c1ccc2c(c1)CCCN2C)C1CC1 ZINC000182953380 633963866 /nfs/dbraw/zinc/96/38/66/633963866.db2.gz HBJIKVBTMSPWGF-NSHDSACASA-N 1 2 230.355 3.279 20 0 BGADLO C[C@@H]([NH2+]c1ccc2c(c1)CCCN2C)C1CC1 ZINC000182953393 633963756 /nfs/dbraw/zinc/96/37/56/633963756.db2.gz HBJIKVBTMSPWGF-LLVKDONJSA-N 1 2 230.355 3.279 20 0 BGADLO c1ccc2[nH+]c(N[C@@H]3CCCOCC3)ccc2c1 ZINC000182991491 385498006 /nfs/dbraw/zinc/49/80/06/385498006.db2.gz FVXWQXARCNDFPC-CYBMUJFWSA-N 1 2 242.322 3.216 20 0 BGADLO c1ccc2[nH+]c(N[C@H]3CCCOCC3)ccc2c1 ZINC000182991511 385497547 /nfs/dbraw/zinc/49/75/47/385497547.db2.gz FVXWQXARCNDFPC-ZDUSSCGKSA-N 1 2 242.322 3.216 20 0 BGADLO COCCC[C@H](C)[NH2+]c1ccc2c(c1)CCCO2 ZINC000183072191 174264810 /nfs/dbraw/zinc/26/48/10/174264810.db2.gz VLZJYPBDNLOZBD-LBPRGKRZSA-N 1 2 249.354 3.239 20 0 BGADLO COCCC[C@@H](C)[NH2+]c1ccc2c(c1)CCCO2 ZINC000183072210 174261847 /nfs/dbraw/zinc/26/18/47/174261847.db2.gz VLZJYPBDNLOZBD-GFCCVEGCSA-N 1 2 249.354 3.239 20 0 BGADLO CCc1ccc(N[C@@H](C)c2[nH+]ccn2C)cc1F ZINC000183112421 366977054 /nfs/dbraw/zinc/97/70/54/366977054.db2.gz FHATVKBOHQKAFY-JTQLQIEISA-N 1 2 247.317 3.295 20 0 BGADLO CCc1ccc(N[C@H](C)c2[nH+]ccn2C)cc1F ZINC000183112443 366977310 /nfs/dbraw/zinc/97/73/10/366977310.db2.gz FHATVKBOHQKAFY-SNVBAGLBSA-N 1 2 247.317 3.295 20 0 BGADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)C1CCC1 ZINC000183147783 366979481 /nfs/dbraw/zinc/97/94/81/366979481.db2.gz WQWHGJBUYIGJAN-LBPRGKRZSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)C1CCC1 ZINC000183147802 366979695 /nfs/dbraw/zinc/97/96/95/366979695.db2.gz WQWHGJBUYIGJAN-GFCCVEGCSA-N 1 2 245.370 3.282 20 0 BGADLO CC(C)CSCc1c[nH+]c2ccccn12 ZINC000183151544 366979998 /nfs/dbraw/zinc/97/99/98/366979998.db2.gz LBNAWVLXRIQCPK-UHFFFAOYSA-N 1 2 220.341 3.224 20 0 BGADLO Cc1ccc(N(C)CCCn2cc[nH+]c2)c(C)c1 ZINC000183164385 385737676 /nfs/dbraw/zinc/73/76/76/385737676.db2.gz YAUSSNPTZPQFSF-UHFFFAOYSA-N 1 2 243.354 3.026 20 0 BGADLO Cc1ccc(C)c(N(C)CCCn2cc[nH+]c2)c1 ZINC000183165163 385738201 /nfs/dbraw/zinc/73/82/01/385738201.db2.gz MESTXDAJBHOHQS-UHFFFAOYSA-N 1 2 243.354 3.026 20 0 BGADLO Cc1cccc(N(C)CCCn2cc[nH+]c2)c1C ZINC000183165196 179115596 /nfs/dbraw/zinc/11/55/96/179115596.db2.gz FLVDOSSXAKUGIB-UHFFFAOYSA-N 1 2 243.354 3.026 20 0 BGADLO Cc1cc(C)cc(N(C)CCCn2cc[nH+]c2)c1 ZINC000183165232 385738304 /nfs/dbraw/zinc/73/83/04/385738304.db2.gz JZPFIPFODHMOBJ-UHFFFAOYSA-N 1 2 243.354 3.026 20 0 BGADLO Cc1ccc(N[C@@H](C)C2CCC2)c(C)[nH+]1 ZINC000183186155 385511433 /nfs/dbraw/zinc/51/14/33/385511433.db2.gz RNZVEKWAYTXJRQ-JTQLQIEISA-N 1 2 204.317 3.299 20 0 BGADLO Cc1ccc(N[C@H](C)C2CCC2)c(C)[nH+]1 ZINC000183186177 385511503 /nfs/dbraw/zinc/51/15/03/385511503.db2.gz RNZVEKWAYTXJRQ-SNVBAGLBSA-N 1 2 204.317 3.299 20 0 BGADLO CCN(CCCn1cc[nH+]c1)c1ccccc1C ZINC000183188187 385739976 /nfs/dbraw/zinc/73/99/76/385739976.db2.gz OQKCQLVKDGULIS-UHFFFAOYSA-N 1 2 243.354 3.108 20 0 BGADLO CCO[C@@H]1C[C@H](Nc2c[nH+]cc(C)c2)C12CCC2 ZINC000183190839 385511650 /nfs/dbraw/zinc/51/16/50/385511650.db2.gz RHVVQNUPKWIZBS-UONOGXRCSA-N 1 2 246.354 3.150 20 0 BGADLO CCO[C@H]1C[C@H](Nc2c[nH+]cc(C)c2)C12CCC2 ZINC000183190857 385512665 /nfs/dbraw/zinc/51/26/65/385512665.db2.gz RHVVQNUPKWIZBS-KBPBESRZSA-N 1 2 246.354 3.150 20 0 BGADLO CCO[C@@H]1C[C@@H](Nc2c[nH+]cc(C)c2)C12CCC2 ZINC000183190872 385512273 /nfs/dbraw/zinc/51/22/73/385512273.db2.gz RHVVQNUPKWIZBS-ZIAGYGMSSA-N 1 2 246.354 3.150 20 0 BGADLO CCO[C@H]1C[C@@H](Nc2c[nH+]cc(C)c2)C12CCC2 ZINC000183190887 385511960 /nfs/dbraw/zinc/51/19/60/385511960.db2.gz RHVVQNUPKWIZBS-KGLIPLIRSA-N 1 2 246.354 3.150 20 0 BGADLO Cc1cc(NC(=O)[C@H](C)c2ccccc2)cc[nH+]1 ZINC000183263109 367005875 /nfs/dbraw/zinc/00/58/75/367005875.db2.gz VJLFAMOOQNICHQ-GFCCVEGCSA-N 1 2 240.306 3.132 20 0 BGADLO Cc1cc(NC(=O)[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000183263182 367006255 /nfs/dbraw/zinc/00/62/55/367006255.db2.gz VJLFAMOOQNICHQ-LBPRGKRZSA-N 1 2 240.306 3.132 20 0 BGADLO CC[C@H](Nc1ccc(F)c(C)c1)c1[nH+]ccn1C ZINC000183279171 385749625 /nfs/dbraw/zinc/74/96/25/385749625.db2.gz UDRDYRZOFXCNLR-ZDUSSCGKSA-N 1 2 247.317 3.431 20 0 BGADLO CC[C@@H](Nc1ccc(F)c(C)c1)c1[nH+]ccn1C ZINC000183279188 347123144 /nfs/dbraw/zinc/12/31/44/347123144.db2.gz UDRDYRZOFXCNLR-CYBMUJFWSA-N 1 2 247.317 3.431 20 0 BGADLO C[C@@H](CSCCn1cc[nH+]c1)c1ccccc1 ZINC000183340216 385754463 /nfs/dbraw/zinc/75/44/63/385754463.db2.gz VPQOHKIFOKGCFZ-ZDUSSCGKSA-N 1 2 246.379 3.420 20 0 BGADLO C[C@H](CSCCn1cc[nH+]c1)c1ccccc1 ZINC000183340231 385754593 /nfs/dbraw/zinc/75/45/93/385754593.db2.gz VPQOHKIFOKGCFZ-CYBMUJFWSA-N 1 2 246.379 3.420 20 0 BGADLO Cc1cc(C)cc([C@@H]2CC[N@@H+](CC(F)F)C2)c1 ZINC000183463098 538966922 /nfs/dbraw/zinc/96/69/22/538966922.db2.gz OMKICMJEAWVRDR-GFCCVEGCSA-N 1 2 239.309 3.358 20 0 BGADLO Cc1cc(C)cc([C@@H]2CC[N@H+](CC(F)F)C2)c1 ZINC000183463098 538966921 /nfs/dbraw/zinc/96/69/21/538966921.db2.gz OMKICMJEAWVRDR-GFCCVEGCSA-N 1 2 239.309 3.358 20 0 BGADLO Cc1cc(C)cc([C@H]2CC[N@@H+](CC(F)F)C2)c1 ZINC000183463114 538967046 /nfs/dbraw/zinc/96/70/46/538967046.db2.gz OMKICMJEAWVRDR-LBPRGKRZSA-N 1 2 239.309 3.358 20 0 BGADLO Cc1cc(C)cc([C@H]2CC[N@H+](CC(F)F)C2)c1 ZINC000183463114 538967044 /nfs/dbraw/zinc/96/70/44/538967044.db2.gz OMKICMJEAWVRDR-LBPRGKRZSA-N 1 2 239.309 3.358 20 0 BGADLO C=CC[NH+](CC=C)Cc1cccc(Cl)c1O ZINC000183464238 643132353 /nfs/dbraw/zinc/13/23/53/643132353.db2.gz RRFBLYJFYZUJNY-UHFFFAOYSA-N 1 2 237.730 3.220 20 0 BGADLO C=C(C)C[N@H+](CC)Cc1cccc(Cl)c1O ZINC000183476441 643134666 /nfs/dbraw/zinc/13/46/66/643134666.db2.gz LQEVLYHFHOIGGG-UHFFFAOYSA-N 1 2 239.746 3.444 20 0 BGADLO C=C(C)C[N@@H+](CC)Cc1cccc(Cl)c1O ZINC000183476441 643134660 /nfs/dbraw/zinc/13/46/60/643134660.db2.gz LQEVLYHFHOIGGG-UHFFFAOYSA-N 1 2 239.746 3.444 20 0 BGADLO Cc1cnc(C[NH2+][C@H](C)c2cccc(C)c2C)o1 ZINC000183724042 385791562 /nfs/dbraw/zinc/79/15/62/385791562.db2.gz JGUOAWSCCYKQGF-CYBMUJFWSA-N 1 2 244.338 3.451 20 0 BGADLO Cc1cnc(C[NH2+][C@@H](C)c2cccc(C)c2C)o1 ZINC000183724052 385791115 /nfs/dbraw/zinc/79/11/15/385791115.db2.gz JGUOAWSCCYKQGF-ZDUSSCGKSA-N 1 2 244.338 3.451 20 0 BGADLO Cc1cccc([C@@H](C)[NH2+]CC(F)F)c1C ZINC000183727896 538967455 /nfs/dbraw/zinc/96/74/55/538967455.db2.gz OFNZWBVRFGLFFI-SNVBAGLBSA-N 1 2 213.271 3.219 20 0 BGADLO Cc1cccc([C@H](C)[NH2+]CC(F)F)c1C ZINC000183727919 538967477 /nfs/dbraw/zinc/96/74/77/538967477.db2.gz OFNZWBVRFGLFFI-JTQLQIEISA-N 1 2 213.271 3.219 20 0 BGADLO CCCC[C@@H](CC)C[N@@H+](C)Cc1noc(C)n1 ZINC000183736075 134353903 /nfs/dbraw/zinc/35/39/03/134353903.db2.gz DETCPZWCGJUDRZ-GFCCVEGCSA-N 1 2 239.363 3.026 20 0 BGADLO CCCC[C@@H](CC)C[N@H+](C)Cc1noc(C)n1 ZINC000183736075 134353902 /nfs/dbraw/zinc/35/39/02/134353902.db2.gz DETCPZWCGJUDRZ-GFCCVEGCSA-N 1 2 239.363 3.026 20 0 BGADLO CCCC[C@H](CC)C[N@@H+](C)Cc1noc(C)n1 ZINC000183736093 134353819 /nfs/dbraw/zinc/35/38/19/134353819.db2.gz DETCPZWCGJUDRZ-LBPRGKRZSA-N 1 2 239.363 3.026 20 0 BGADLO CCCC[C@H](CC)C[N@H+](C)Cc1noc(C)n1 ZINC000183736093 134353818 /nfs/dbraw/zinc/35/38/18/134353818.db2.gz DETCPZWCGJUDRZ-LBPRGKRZSA-N 1 2 239.363 3.026 20 0 BGADLO CCC(=O)CCCSc1[nH+]cc2ccccn21 ZINC000183847896 168201289 /nfs/dbraw/zinc/20/12/89/168201289.db2.gz AFWPNBQPKQNCFR-UHFFFAOYSA-N 1 2 248.351 3.186 20 0 BGADLO CC[N@@H+](CC(F)F)[C@@H](C)Cc1ccsc1 ZINC000184092058 367064995 /nfs/dbraw/zinc/06/49/95/367064995.db2.gz LNHOSYKYSODHRQ-VIFPVBQESA-N 1 2 233.327 3.266 20 0 BGADLO CC[N@H+](CC(F)F)[C@@H](C)Cc1ccsc1 ZINC000184092058 367064991 /nfs/dbraw/zinc/06/49/91/367064991.db2.gz LNHOSYKYSODHRQ-VIFPVBQESA-N 1 2 233.327 3.266 20 0 BGADLO CC[N@@H+](CC(F)F)[C@H](C)Cc1ccsc1 ZINC000184092077 367064839 /nfs/dbraw/zinc/06/48/39/367064839.db2.gz LNHOSYKYSODHRQ-SECBINFHSA-N 1 2 233.327 3.266 20 0 BGADLO CC[N@H+](CC(F)F)[C@H](C)Cc1ccsc1 ZINC000184092077 367064832 /nfs/dbraw/zinc/06/48/32/367064832.db2.gz LNHOSYKYSODHRQ-SECBINFHSA-N 1 2 233.327 3.266 20 0 BGADLO CC[N@H+](Cc1cccc(C)c1C)CC(F)F ZINC000184092820 347148627 /nfs/dbraw/zinc/14/86/27/347148627.db2.gz KKBDWSQILKHZNY-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO CC[N@@H+](Cc1cccc(C)c1C)CC(F)F ZINC000184092820 347148624 /nfs/dbraw/zinc/14/86/24/347148624.db2.gz KKBDWSQILKHZNY-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO CC[N@H+](Cc1cccc2[nH]ccc21)CC(F)F ZINC000184093507 347148894 /nfs/dbraw/zinc/14/88/94/347148894.db2.gz SRYAZTFVMBPCPB-UHFFFAOYSA-N 1 2 238.281 3.255 20 0 BGADLO CC[N@@H+](Cc1cccc2[nH]ccc21)CC(F)F ZINC000184093507 347148891 /nfs/dbraw/zinc/14/88/91/347148891.db2.gz SRYAZTFVMBPCPB-UHFFFAOYSA-N 1 2 238.281 3.255 20 0 BGADLO CC[N@H+](Cc1sccc1C)CC(F)F ZINC000184093617 367064957 /nfs/dbraw/zinc/06/49/57/367064957.db2.gz KXUKRIKVOLLKRK-UHFFFAOYSA-N 1 2 219.300 3.144 20 0 BGADLO CC[N@@H+](Cc1sccc1C)CC(F)F ZINC000184093617 367064955 /nfs/dbraw/zinc/06/49/55/367064955.db2.gz KXUKRIKVOLLKRK-UHFFFAOYSA-N 1 2 219.300 3.144 20 0 BGADLO CCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC000184143066 134359132 /nfs/dbraw/zinc/35/91/32/134359132.db2.gz FMFRCGRWHZLDTK-UHFFFAOYSA-N 1 2 231.343 3.041 20 0 BGADLO Oc1cc(F)cc(C[NH+]2Cc3ccccc3C2)c1 ZINC000184149866 134359078 /nfs/dbraw/zinc/35/90/78/134359078.db2.gz SMRMNCSNWFWPCD-UHFFFAOYSA-N 1 2 243.281 3.047 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2cscn2)c(C)c1 ZINC000184266531 384589038 /nfs/dbraw/zinc/58/90/38/384589038.db2.gz OMLRZVZZBAMDOF-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2cscn2)c(C)c1 ZINC000184266531 384589031 /nfs/dbraw/zinc/58/90/31/384589031.db2.gz OMLRZVZZBAMDOF-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cncc([C@H](C)Nc2ccc(C)[nH+]c2)c1 ZINC000184450499 384609485 /nfs/dbraw/zinc/60/94/85/384609485.db2.gz HLXNSQOUTZSJNM-LBPRGKRZSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1cncc([C@@H](C)Nc2ccc(C)[nH+]c2)c1 ZINC000184450516 179685596 /nfs/dbraw/zinc/68/55/96/179685596.db2.gz HLXNSQOUTZSJNM-GFCCVEGCSA-N 1 2 227.311 3.267 20 0 BGADLO CC/C=C/CC[N@@H+](CC(F)F)C1CC1 ZINC000184538417 384613912 /nfs/dbraw/zinc/61/39/12/384613912.db2.gz DMZCOWVFYVWUEH-ONEGZZNKSA-N 1 2 203.276 3.072 20 0 BGADLO CC/C=C/CC[N@H+](CC(F)F)C1CC1 ZINC000184538417 384613906 /nfs/dbraw/zinc/61/39/06/384613906.db2.gz DMZCOWVFYVWUEH-ONEGZZNKSA-N 1 2 203.276 3.072 20 0 BGADLO CC1CCC(CSCCn2cc[nH+]c2)CC1 ZINC000184674524 367090110 /nfs/dbraw/zinc/09/01/10/367090110.db2.gz IDYSZIJAUGUHLF-UHFFFAOYSA-N 1 2 238.400 3.443 20 0 BGADLO Cc1ccc(NC(=O)C[C@@H]2CCC[C@@H]2C)c(C)[nH+]1 ZINC000184761094 384647418 /nfs/dbraw/zinc/64/74/18/384647418.db2.gz XSSMKJYVEKXBLH-GWCFXTLKSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)C[C@H]2CCC[C@@H]2C)c(C)[nH+]1 ZINC000184761111 384646492 /nfs/dbraw/zinc/64/64/92/384646492.db2.gz XSSMKJYVEKXBLH-GXFFZTMASA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2C)c(C)[nH+]1 ZINC000184761131 188169596 /nfs/dbraw/zinc/16/95/96/188169596.db2.gz XSSMKJYVEKXBLH-MFKMUULPSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)C[C@H]2CCC[C@H]2C)c(C)[nH+]1 ZINC000184761151 384646082 /nfs/dbraw/zinc/64/60/82/384646082.db2.gz XSSMKJYVEKXBLH-ZWNOBZJWSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc(CSCc2ccc(C)[nH+]c2C)no1 ZINC000184809277 134369041 /nfs/dbraw/zinc/36/90/41/134369041.db2.gz GSJOSYCAXMPQDY-UHFFFAOYSA-N 1 2 248.351 3.428 20 0 BGADLO Cc1ccc(CSCCOC(C)C)c(C)[nH+]1 ZINC000184822238 134369540 /nfs/dbraw/zinc/36/95/40/134369540.db2.gz GFEYQHWMUFBPIL-UHFFFAOYSA-N 1 2 239.384 3.357 20 0 BGADLO Cc1ccc(CSCc2ccon2)c(C)[nH+]1 ZINC000184825479 134369238 /nfs/dbraw/zinc/36/92/38/134369238.db2.gz ZIDGIIRHHGXVGS-UHFFFAOYSA-N 1 2 234.324 3.120 20 0 BGADLO Cc1ccc(CSCC2CC2)c(C)[nH+]1 ZINC000184830582 134369325 /nfs/dbraw/zinc/36/93/25/134369325.db2.gz QUSBMHVVNBTRBJ-UHFFFAOYSA-N 1 2 207.342 3.342 20 0 BGADLO Cc1ccc(CSCCCF)c(C)[nH+]1 ZINC000184830705 134369517 /nfs/dbraw/zinc/36/95/17/134369517.db2.gz WTEJMCFKZJHVTO-UHFFFAOYSA-N 1 2 213.321 3.291 20 0 BGADLO Cc1cc(N2CCCC3(CC3)C2)nc(C2CC2)[nH+]1 ZINC000184831849 384654534 /nfs/dbraw/zinc/65/45/34/384654534.db2.gz IENWETUOMNAUHW-UHFFFAOYSA-N 1 2 243.354 3.043 20 0 BGADLO CCCC[C@H]([NH2+]CC(F)(F)F)C1CCC1 ZINC000184895837 385717774 /nfs/dbraw/zinc/71/77/74/385717774.db2.gz GCPWHTUAVNZGNY-JTQLQIEISA-N 1 2 223.282 3.497 20 0 BGADLO CCCC[C@@H]([NH2+]CC(F)(F)F)C1CCC1 ZINC000184895856 385716640 /nfs/dbraw/zinc/71/66/40/385716640.db2.gz GCPWHTUAVNZGNY-SNVBAGLBSA-N 1 2 223.282 3.497 20 0 BGADLO Cc1oncc1C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000185189751 367125427 /nfs/dbraw/zinc/12/54/27/367125427.db2.gz ZRAROBATSJFZCQ-JTQLQIEISA-N 1 2 248.301 3.315 20 0 BGADLO Cc1oncc1C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000185189751 367125422 /nfs/dbraw/zinc/12/54/22/367125422.db2.gz ZRAROBATSJFZCQ-JTQLQIEISA-N 1 2 248.301 3.315 20 0 BGADLO Cc1oncc1C[N@H+](C)[C@H](C)c1ccccc1F ZINC000185189765 367125223 /nfs/dbraw/zinc/12/52/23/367125223.db2.gz ZRAROBATSJFZCQ-SNVBAGLBSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1oncc1C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000185189765 367125219 /nfs/dbraw/zinc/12/52/19/367125219.db2.gz ZRAROBATSJFZCQ-SNVBAGLBSA-N 1 2 248.301 3.315 20 0 BGADLO COc1cc[nH+]cc1NC(=O)/C(C)=C/C(C)(C)C ZINC000185210501 175374330 /nfs/dbraw/zinc/37/43/30/175374330.db2.gz KNGOMCBIQNIDRC-CSKARUKUSA-N 1 2 248.326 3.021 20 0 BGADLO Cc1ccc(Cn2cnc3ccccc32)c(C)[nH+]1 ZINC000185231424 134375403 /nfs/dbraw/zinc/37/54/03/134375403.db2.gz SKAWTAQUSURQII-UHFFFAOYSA-N 1 2 237.306 3.096 20 0 BGADLO Cc1ccc(COc2ccccc2F)c(C)[nH+]1 ZINC000185232248 136219764 /nfs/dbraw/zinc/21/97/64/136219764.db2.gz BXDUBOAINFKHBF-UHFFFAOYSA-N 1 2 231.270 3.417 20 0 BGADLO Cc1ccc(COc2ccc(F)cc2)c(C)[nH+]1 ZINC000185233069 134375647 /nfs/dbraw/zinc/37/56/47/134375647.db2.gz HEJFHHBVAAOKET-UHFFFAOYSA-N 1 2 231.270 3.417 20 0 BGADLO Cc1ccc(COc2ccccc2)c(C)[nH+]1 ZINC000185233229 134375451 /nfs/dbraw/zinc/37/54/51/134375451.db2.gz GNBNWVCZWLQJEC-UHFFFAOYSA-N 1 2 213.280 3.277 20 0 BGADLO COc1ccccc1OCc1ccc(C)[nH+]c1C ZINC000185234038 537098905 /nfs/dbraw/zinc/09/89/05/537098905.db2.gz JBDLQVJPQHXGME-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO Cc1ccc(COc2cccc(F)c2)c(C)[nH+]1 ZINC000185234187 367126753 /nfs/dbraw/zinc/12/67/53/367126753.db2.gz KHKCTPDTCJLKAF-UHFFFAOYSA-N 1 2 231.270 3.417 20 0 BGADLO COc1ccc(OCc2ccc(C)[nH+]c2C)cc1 ZINC000185234926 134375454 /nfs/dbraw/zinc/37/54/54/134375454.db2.gz MQGFXNVRUGEGDH-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO COc1cccc(OCc2ccc(C)[nH+]c2C)c1 ZINC000185240693 134375475 /nfs/dbraw/zinc/37/54/75/134375475.db2.gz SPVXRFVYYZOBHR-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO C/C(=C\C(C)(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000185345279 384708685 /nfs/dbraw/zinc/70/86/85/384708685.db2.gz MWTHAXJAFROIPJ-CSKARUKUSA-N 1 2 232.327 3.321 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)CC(C)C ZINC000185347503 384708579 /nfs/dbraw/zinc/70/85/79/384708579.db2.gz PJDFQBAFIBOMBK-JTQLQIEISA-N 1 2 220.316 3.011 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)CC(C)C ZINC000185347520 384709360 /nfs/dbraw/zinc/70/93/60/384709360.db2.gz PJDFQBAFIBOMBK-SNVBAGLBSA-N 1 2 220.316 3.011 20 0 BGADLO Cc1ccc(CN(C#N)c2ccccc2)c(C)[nH+]1 ZINC000185379466 134377368 /nfs/dbraw/zinc/37/73/68/134377368.db2.gz XUTCPQWYOCJIDA-UHFFFAOYSA-N 1 2 237.306 3.186 20 0 BGADLO CSc1cccc(C)c1NCc1[nH+]ccn1C ZINC000185444682 388588054 /nfs/dbraw/zinc/58/80/54/388588054.db2.gz DLBYIHPPUOPEQR-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO Cc1ccc(NC(=O)[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC000185501586 384732615 /nfs/dbraw/zinc/73/26/15/384732615.db2.gz UPPMFZQFLAKWPH-JTQLQIEISA-N 1 2 234.343 3.319 20 0 BGADLO Cc1ccc(NC(=O)[C@H](C)CC(C)C)c(C)[nH+]1 ZINC000185501601 384732401 /nfs/dbraw/zinc/73/24/01/384732401.db2.gz UPPMFZQFLAKWPH-SNVBAGLBSA-N 1 2 234.343 3.319 20 0 BGADLO Cc1nc(NCc2ccc(C(F)F)cc2)cc[nH+]1 ZINC000185519715 134381764 /nfs/dbraw/zinc/38/17/64/134381764.db2.gz GHIKIACVLSISCX-UHFFFAOYSA-N 1 2 249.264 3.335 20 0 BGADLO CCC(CC)SCCCn1cc[nH+]c1 ZINC000185538844 168395933 /nfs/dbraw/zinc/39/59/33/168395933.db2.gz VVCJYAMKGRONJH-UHFFFAOYSA-N 1 2 212.362 3.195 20 0 BGADLO Cc1cc(NC(=O)[C@@H](C)CC(C)C)cc[nH+]1 ZINC000185551907 178143560 /nfs/dbraw/zinc/14/35/60/178143560.db2.gz DRPUXGVWDYDYEP-JTQLQIEISA-N 1 2 220.316 3.011 20 0 BGADLO Cc1cc(NC(=O)[C@H](C)CC(C)C)cc[nH+]1 ZINC000185551928 178146427 /nfs/dbraw/zinc/14/64/27/178146427.db2.gz DRPUXGVWDYDYEP-SNVBAGLBSA-N 1 2 220.316 3.011 20 0 BGADLO CC(C)[C@@H](C)SCCCn1cc[nH+]c1 ZINC000185559101 167388422 /nfs/dbraw/zinc/38/84/22/167388422.db2.gz CNAKUMAJCNJPIO-LLVKDONJSA-N 1 2 212.362 3.051 20 0 BGADLO CC(C)[C@H](C)SCCCn1cc[nH+]c1 ZINC000185559119 384736494 /nfs/dbraw/zinc/73/64/94/384736494.db2.gz CNAKUMAJCNJPIO-NSHDSACASA-N 1 2 212.362 3.051 20 0 BGADLO CC[C@@H](C)CSCCCn1cc[nH+]c1 ZINC000185564435 170714017 /nfs/dbraw/zinc/71/40/17/170714017.db2.gz KCMCKHNLKCAXFQ-LLVKDONJSA-N 1 2 212.362 3.053 20 0 BGADLO CC[C@H](C)CSCCCn1cc[nH+]c1 ZINC000185564452 171293624 /nfs/dbraw/zinc/29/36/24/171293624.db2.gz KCMCKHNLKCAXFQ-NSHDSACASA-N 1 2 212.362 3.053 20 0 BGADLO CCCCCSCCCn1cc[nH+]c1 ZINC000185649481 384751466 /nfs/dbraw/zinc/75/14/66/384751466.db2.gz MWISARLTPKRLKS-UHFFFAOYSA-N 1 2 212.362 3.197 20 0 BGADLO CC(C)CCCSCCCn1cc[nH+]c1 ZINC000185649609 384751906 /nfs/dbraw/zinc/75/19/06/384751906.db2.gz YJBRPYIYDWBLSH-UHFFFAOYSA-N 1 2 226.389 3.443 20 0 BGADLO CC1(C)CCC(COCc2[nH]cc[nH+]2)CC1 ZINC000185697478 367140911 /nfs/dbraw/zinc/14/09/11/367140911.db2.gz IYXDAXPWKMGTLB-UHFFFAOYSA-N 1 2 222.332 3.143 20 0 BGADLO CC[N@@H+](CC(F)F)C[C@@H](C)c1ccccc1 ZINC000185745017 367142366 /nfs/dbraw/zinc/14/23/66/367142366.db2.gz GVAHVRRABAQXLP-LLVKDONJSA-N 1 2 227.298 3.377 20 0 BGADLO CC[N@H+](CC(F)F)C[C@@H](C)c1ccccc1 ZINC000185745017 367142363 /nfs/dbraw/zinc/14/23/63/367142363.db2.gz GVAHVRRABAQXLP-LLVKDONJSA-N 1 2 227.298 3.377 20 0 BGADLO CC[N@@H+](CC(F)F)C[C@H](C)c1ccccc1 ZINC000185745038 367142778 /nfs/dbraw/zinc/14/27/78/367142778.db2.gz GVAHVRRABAQXLP-NSHDSACASA-N 1 2 227.298 3.377 20 0 BGADLO CC[N@H+](CC(F)F)C[C@H](C)c1ccccc1 ZINC000185745038 367142772 /nfs/dbraw/zinc/14/27/72/367142772.db2.gz GVAHVRRABAQXLP-NSHDSACASA-N 1 2 227.298 3.377 20 0 BGADLO CC[C@@H]1Cc2ccccc2C[N@H+]1CC(F)F ZINC000185805123 538970617 /nfs/dbraw/zinc/97/06/17/538970617.db2.gz DXMWAQMUOOKBMW-GFCCVEGCSA-N 1 2 225.282 3.088 20 0 BGADLO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC(F)F ZINC000185805123 538970615 /nfs/dbraw/zinc/97/06/15/538970615.db2.gz DXMWAQMUOOKBMW-GFCCVEGCSA-N 1 2 225.282 3.088 20 0 BGADLO CC[C@H]1Cc2ccccc2C[N@H+]1CC(F)F ZINC000185805140 538970562 /nfs/dbraw/zinc/97/05/62/538970562.db2.gz DXMWAQMUOOKBMW-LBPRGKRZSA-N 1 2 225.282 3.088 20 0 BGADLO CC[C@H]1Cc2ccccc2C[N@@H+]1CC(F)F ZINC000185805140 538970559 /nfs/dbraw/zinc/97/05/59/538970559.db2.gz DXMWAQMUOOKBMW-LBPRGKRZSA-N 1 2 225.282 3.088 20 0 BGADLO Cc1cc(N2CCCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000185859815 134398016 /nfs/dbraw/zinc/39/80/16/134398016.db2.gz BFBSVXLULUIQAH-NSHDSACASA-N 1 2 245.370 3.289 20 0 BGADLO Cc1cc(N2CCCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000185859838 134397609 /nfs/dbraw/zinc/39/76/09/134397609.db2.gz BFBSVXLULUIQAH-LLVKDONJSA-N 1 2 245.370 3.289 20 0 BGADLO FC(F)c1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000185897146 343349578 /nfs/dbraw/zinc/34/95/78/343349578.db2.gz PWXZRSWFFPFDPR-UHFFFAOYSA-N 1 2 238.237 3.064 20 0 BGADLO CC[C@@H]1[C@H](C)CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000185930696 535962007 /nfs/dbraw/zinc/96/20/07/535962007.db2.gz ZJVYSQUXRWVGSP-ZWNOBZJWSA-N 1 2 245.370 3.287 20 0 BGADLO CC[C@H]1[C@H](C)CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000185930712 134397155 /nfs/dbraw/zinc/39/71/55/134397155.db2.gz ZJVYSQUXRWVGSP-MFKMUULPSA-N 1 2 245.370 3.287 20 0 BGADLO CC[C@@H]1[C@@H](C)CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000185930727 535951426 /nfs/dbraw/zinc/95/14/26/535951426.db2.gz ZJVYSQUXRWVGSP-GXFFZTMASA-N 1 2 245.370 3.287 20 0 BGADLO CC[C@H]1[C@@H](C)CCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000185930749 134397248 /nfs/dbraw/zinc/39/72/48/134397248.db2.gz ZJVYSQUXRWVGSP-GWCFXTLKSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000185942278 384792055 /nfs/dbraw/zinc/79/20/55/384792055.db2.gz CWWXQESKYYNWLO-JQWIXIFHSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCC[C@@H]1C ZINC000185942295 384793623 /nfs/dbraw/zinc/79/36/23/384793623.db2.gz CWWXQESKYYNWLO-CMPLNLGQSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCC[C@H]1C ZINC000185942314 384792466 /nfs/dbraw/zinc/79/24/66/384792466.db2.gz CWWXQESKYYNWLO-PWSUYJOCSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCC[C@H]1C ZINC000185942332 384792435 /nfs/dbraw/zinc/79/24/35/384792435.db2.gz CWWXQESKYYNWLO-ZYHUDNBSSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)cc[nH+]1 ZINC000185998184 134399525 /nfs/dbraw/zinc/39/95/25/134399525.db2.gz VXWCCHOBEYWUJP-JSGCOSHPSA-N 1 2 232.327 3.011 20 0 BGADLO Cc1cc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)cc[nH+]1 ZINC000185998200 134399759 /nfs/dbraw/zinc/39/97/59/134399759.db2.gz VXWCCHOBEYWUJP-OCCSQVGLSA-N 1 2 232.327 3.011 20 0 BGADLO Cc1cc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)cc[nH+]1 ZINC000185998222 134399367 /nfs/dbraw/zinc/39/93/67/134399367.db2.gz VXWCCHOBEYWUJP-GXTWGEPZSA-N 1 2 232.327 3.011 20 0 BGADLO Cc1cc(NC(=O)[C@H]2C[C@]2(C)C(C)C)cc[nH+]1 ZINC000185998244 134399908 /nfs/dbraw/zinc/39/99/08/134399908.db2.gz VXWCCHOBEYWUJP-TZMCWYRMSA-N 1 2 232.327 3.011 20 0 BGADLO C/C(=C\C(C)(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000186025142 384813524 /nfs/dbraw/zinc/81/35/24/384813524.db2.gz IHSGWKKOULMQMZ-MDZDMXLPSA-N 1 2 232.327 3.321 20 0 BGADLO CC(C)C1(C)CC[NH+](CC(F)F)CC1 ZINC000186196618 537788248 /nfs/dbraw/zinc/78/82/48/537788248.db2.gz BTSJEJVOWHJQTQ-UHFFFAOYSA-N 1 2 205.292 3.010 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000186272797 384833095 /nfs/dbraw/zinc/83/30/95/384833095.db2.gz PRDQMKZQRPULDW-FZMZJTMJSA-N 1 2 232.327 3.011 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000186272818 384833664 /nfs/dbraw/zinc/83/36/64/384833664.db2.gz PRDQMKZQRPULDW-RISCZKNCSA-N 1 2 232.327 3.011 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000186272832 384830966 /nfs/dbraw/zinc/83/09/66/384830966.db2.gz PRDQMKZQRPULDW-SMDDNHRTSA-N 1 2 232.327 3.011 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000186272849 384832824 /nfs/dbraw/zinc/83/28/24/384832824.db2.gz PRDQMKZQRPULDW-BXUZGUMPSA-N 1 2 232.327 3.011 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C1=CCCCCC1 ZINC000186273084 384831777 /nfs/dbraw/zinc/83/17/77/384831777.db2.gz VIBSLTTUKNULNO-UHFFFAOYSA-N 1 2 230.311 3.219 20 0 BGADLO Cc1ccc(F)cc1CNc1cc[nH+]cc1F ZINC000186425948 398053509 /nfs/dbraw/zinc/05/35/09/398053509.db2.gz UGBUBFJIIYHZAG-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1cccc(CNc2cc[nH+]cc2F)c1 ZINC000186426766 398066265 /nfs/dbraw/zinc/06/62/65/398066265.db2.gz AKZOWYMUIWVBPM-UHFFFAOYSA-N 1 2 216.259 3.141 20 0 BGADLO CCOc1cccc(CNc2cc[nH+]cc2F)c1 ZINC000186427023 398053588 /nfs/dbraw/zinc/05/35/88/398053588.db2.gz DOTCGLHWAVVDLH-UHFFFAOYSA-N 1 2 246.285 3.232 20 0 BGADLO Cc1ccc(N[C@@H](C)CCC2CC2)c[nH+]1 ZINC000186466076 385763815 /nfs/dbraw/zinc/76/38/15/385763815.db2.gz FQFGKOAUSMUPSN-NSHDSACASA-N 1 2 204.317 3.381 20 0 BGADLO Cc1ccc(N[C@H](C)CCC2CC2)c[nH+]1 ZINC000186466094 385764158 /nfs/dbraw/zinc/76/41/58/385764158.db2.gz FQFGKOAUSMUPSN-LLVKDONJSA-N 1 2 204.317 3.381 20 0 BGADLO CCC1(CC)CC[NH+](CC(F)F)CC1 ZINC000186546303 566343531 /nfs/dbraw/zinc/34/35/31/566343531.db2.gz IKPYPQMAQVJXDB-UHFFFAOYSA-N 1 2 205.292 3.154 20 0 BGADLO Cc1ccc(CN(C)c2ccccc2)c(C)[nH+]1 ZINC000186559601 387109917 /nfs/dbraw/zinc/10/99/17/387109917.db2.gz WLOCOBCWIJBFDN-UHFFFAOYSA-N 1 2 226.323 3.335 20 0 BGADLO Cc1ccc(CN2CCc3ccccc32)c(C)[nH+]1 ZINC000186560536 387109587 /nfs/dbraw/zinc/10/95/87/387109587.db2.gz KPRQOVHZZBJYGG-UHFFFAOYSA-N 1 2 238.334 3.261 20 0 BGADLO Cc1cnc(SCc2ccc(C)[nH+]c2C)nc1 ZINC000186591121 388601255 /nfs/dbraw/zinc/60/12/55/388601255.db2.gz MMRSXGHYFVHWSZ-UHFFFAOYSA-N 1 2 245.351 3.089 20 0 BGADLO CCc1c[nH]c(SCc2ccc(C)[nH+]c2C)n1 ZINC000186631833 387117610 /nfs/dbraw/zinc/11/76/10/387117610.db2.gz DCDNHNCRZYSLJX-UHFFFAOYSA-N 1 2 247.367 3.276 20 0 BGADLO Cc1ccc(CS[C@@H]2CCO[C@@H]2C)c(C)[nH+]1 ZINC000186650270 346526581 /nfs/dbraw/zinc/52/65/81/346526581.db2.gz VOXPIXIRMXNHCI-DGCLKSJQSA-N 1 2 237.368 3.109 20 0 BGADLO Cc1ccc(CS[C@H]2CCO[C@@H]2C)c(C)[nH+]1 ZINC000186650291 346526795 /nfs/dbraw/zinc/52/67/95/346526795.db2.gz VOXPIXIRMXNHCI-YPMHNXCESA-N 1 2 237.368 3.109 20 0 BGADLO Cc1ccc(CS[C@@H]2CCO[C@H]2C)c(C)[nH+]1 ZINC000186650310 346526478 /nfs/dbraw/zinc/52/64/78/346526478.db2.gz VOXPIXIRMXNHCI-WCQYABFASA-N 1 2 237.368 3.109 20 0 BGADLO Cc1ccc(CS[C@H]2CCO[C@H]2C)c(C)[nH+]1 ZINC000186650327 346527116 /nfs/dbraw/zinc/52/71/16/346527116.db2.gz VOXPIXIRMXNHCI-AAEUAGOBSA-N 1 2 237.368 3.109 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@@H]2C[C@@H]2C(C)C)c(C)[nH+]1 ZINC000186653052 346526918 /nfs/dbraw/zinc/52/69/18/346526918.db2.gz HGGAPCUNCUYPAN-CHWSQXEVSA-N 1 2 246.354 3.237 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]2C(C)C)c(C)[nH+]1 ZINC000186653069 346526521 /nfs/dbraw/zinc/52/65/21/346526521.db2.gz HGGAPCUNCUYPAN-OLZOCXBDSA-N 1 2 246.354 3.237 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@@H]2C[C@H]2C(C)C)c(C)[nH+]1 ZINC000186653085 346526675 /nfs/dbraw/zinc/52/66/75/346526675.db2.gz HGGAPCUNCUYPAN-QWHCGFSZSA-N 1 2 246.354 3.237 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@H]2C[C@H]2C(C)C)c(C)[nH+]1 ZINC000186653103 346526894 /nfs/dbraw/zinc/52/68/94/346526894.db2.gz HGGAPCUNCUYPAN-STQMWFEESA-N 1 2 246.354 3.237 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c(C)[nH+]1 ZINC000186677065 384870525 /nfs/dbraw/zinc/87/05/25/384870525.db2.gz QJVVGIDSGWRXIY-WFASDCNBSA-N 1 2 246.354 3.319 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c(C)[nH+]1 ZINC000186677080 384869825 /nfs/dbraw/zinc/86/98/25/384869825.db2.gz QJVVGIDSGWRXIY-DOMZBBRYSA-N 1 2 246.354 3.319 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c(C)[nH+]1 ZINC000186677100 384870497 /nfs/dbraw/zinc/87/04/97/384870497.db2.gz QJVVGIDSGWRXIY-SWLSCSKDSA-N 1 2 246.354 3.319 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c(C)[nH+]1 ZINC000186677119 384870398 /nfs/dbraw/zinc/87/03/98/384870398.db2.gz QJVVGIDSGWRXIY-IUODEOHRSA-N 1 2 246.354 3.319 20 0 BGADLO Cc1ccc(CN(C)c2ccc(F)cc2)c(C)[nH+]1 ZINC000186687935 347239719 /nfs/dbraw/zinc/23/97/19/347239719.db2.gz DZDXOIAUTNGTSJ-UHFFFAOYSA-N 1 2 244.313 3.474 20 0 BGADLO Cc1cc(NC(=O)C[C@@H]2CCC[C@@H]2C)cc[nH+]1 ZINC000186870974 388605155 /nfs/dbraw/zinc/60/51/55/388605155.db2.gz JQBXRFOUMATGNZ-JQWIXIFHSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cc(NC(=O)C[C@H]2CCC[C@@H]2C)cc[nH+]1 ZINC000186870994 388604367 /nfs/dbraw/zinc/60/43/67/388604367.db2.gz JQBXRFOUMATGNZ-CMPLNLGQSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cc(NC(=O)C[C@@H]2CCC[C@H]2C)cc[nH+]1 ZINC000186871013 388605055 /nfs/dbraw/zinc/60/50/55/388605055.db2.gz JQBXRFOUMATGNZ-PWSUYJOCSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cc(NC(=O)C[C@H]2CCC[C@H]2C)cc[nH+]1 ZINC000186871030 256868047 /nfs/dbraw/zinc/86/80/47/256868047.db2.gz JQBXRFOUMATGNZ-ZYHUDNBSSA-N 1 2 232.327 3.155 20 0 BGADLO CCC[N@H+]1Cc2cccc(Br)c2C1 ZINC000186901264 169211850 /nfs/dbraw/zinc/21/18/50/169211850.db2.gz TWTAWTJBVRHUFF-UHFFFAOYSA-N 1 2 240.144 3.175 20 0 BGADLO CCC[N@@H+]1Cc2cccc(Br)c2C1 ZINC000186901264 169211848 /nfs/dbraw/zinc/21/18/48/169211848.db2.gz TWTAWTJBVRHUFF-UHFFFAOYSA-N 1 2 240.144 3.175 20 0 BGADLO Cc1ccc(C[S@@](=O)c2ccccc2)c(C)[nH+]1 ZINC000187058027 346551517 /nfs/dbraw/zinc/55/15/17/346551517.db2.gz DSGDKZISCNRTIO-QGZVFWFLSA-N 1 2 245.347 3.006 20 0 BGADLO Cc1ccc(C[S@](=O)c2ccccc2)c(C)[nH+]1 ZINC000187058043 346551466 /nfs/dbraw/zinc/55/14/66/346551466.db2.gz DSGDKZISCNRTIO-KRWDZBQOSA-N 1 2 245.347 3.006 20 0 BGADLO CCC(CC)[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000187072563 134445123 /nfs/dbraw/zinc/44/51/23/134445123.db2.gz AYKDLMDBGUGTSR-INIZCTEOSA-N 1 2 239.384 3.136 20 0 BGADLO CCC(CC)[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000187072582 387157139 /nfs/dbraw/zinc/15/71/39/387157139.db2.gz AYKDLMDBGUGTSR-MRXNPFEDSA-N 1 2 239.384 3.136 20 0 BGADLO Cc1ccc(CN(C)c2ccccc2F)c(C)[nH+]1 ZINC000187222669 387173863 /nfs/dbraw/zinc/17/38/63/387173863.db2.gz JXWOTAHXMCNXDR-UHFFFAOYSA-N 1 2 244.313 3.474 20 0 BGADLO Cc1ccc(N[C@@H](C)C2CCSCC2)c[nH+]1 ZINC000187471600 386029268 /nfs/dbraw/zinc/02/92/68/386029268.db2.gz PWEUHACDXCYLJG-NSHDSACASA-N 1 2 236.384 3.334 20 0 BGADLO Cc1ccc(N[C@H](C)C2CCSCC2)c[nH+]1 ZINC000187471620 386029226 /nfs/dbraw/zinc/02/92/26/386029226.db2.gz PWEUHACDXCYLJG-LLVKDONJSA-N 1 2 236.384 3.334 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)C1CCSCC1 ZINC000187475451 386554378 /nfs/dbraw/zinc/55/43/78/386554378.db2.gz ICHYMEBZIVPNMW-JTQLQIEISA-N 1 2 236.384 3.334 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)C1CCSCC1 ZINC000187475469 386555277 /nfs/dbraw/zinc/55/52/77/386555277.db2.gz ICHYMEBZIVPNMW-SNVBAGLBSA-N 1 2 236.384 3.334 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)C2CCSCC2)c1 ZINC000187476872 386555138 /nfs/dbraw/zinc/55/51/38/386555138.db2.gz MWKZYCOTZZQWAU-NSHDSACASA-N 1 2 236.384 3.334 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)C2CCSCC2)c1 ZINC000187476890 386553679 /nfs/dbraw/zinc/55/36/79/386553679.db2.gz MWKZYCOTZZQWAU-LLVKDONJSA-N 1 2 236.384 3.334 20 0 BGADLO CCc1ccccc1CSCCn1cc[nH+]c1 ZINC000187527734 205804544 /nfs/dbraw/zinc/80/45/44/205804544.db2.gz MELTYEKMBOWLCA-UHFFFAOYSA-N 1 2 246.379 3.379 20 0 BGADLO CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000187666039 171159585 /nfs/dbraw/zinc/15/95/85/171159585.db2.gz HRQIRBYIUISBGZ-ZWNOBZJWSA-N 1 2 247.342 3.042 20 0 BGADLO CC[C@H]1[C@H](C)CCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000187666057 384973560 /nfs/dbraw/zinc/97/35/60/384973560.db2.gz HRQIRBYIUISBGZ-MFKMUULPSA-N 1 2 247.342 3.042 20 0 BGADLO CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000187666078 171154358 /nfs/dbraw/zinc/15/43/58/171154358.db2.gz HRQIRBYIUISBGZ-GXFFZTMASA-N 1 2 247.342 3.042 20 0 BGADLO CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000187666097 384973521 /nfs/dbraw/zinc/97/35/21/384973521.db2.gz HRQIRBYIUISBGZ-GWCFXTLKSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(NC(=O)N2CCCC[C@H](C)C2)cc[nH+]1 ZINC000187666686 178136136 /nfs/dbraw/zinc/13/61/36/178136136.db2.gz GYYZCPZNULZILZ-NSHDSACASA-N 1 2 247.342 3.044 20 0 BGADLO Cc1cc(NC(=O)N2CCCC[C@@H](C)C2)cc[nH+]1 ZINC000187666700 178136676 /nfs/dbraw/zinc/13/66/76/178136676.db2.gz GYYZCPZNULZILZ-LLVKDONJSA-N 1 2 247.342 3.044 20 0 BGADLO CC[C@@H]1[C@H](C)CCN1C(=O)Nc1cc[nH+]cc1C ZINC000187670087 171159667 /nfs/dbraw/zinc/15/96/67/171159667.db2.gz COMHTENOAXSZHI-ZWNOBZJWSA-N 1 2 247.342 3.042 20 0 BGADLO CC[C@H]1[C@H](C)CCN1C(=O)Nc1cc[nH+]cc1C ZINC000187670103 384971665 /nfs/dbraw/zinc/97/16/65/384971665.db2.gz COMHTENOAXSZHI-MFKMUULPSA-N 1 2 247.342 3.042 20 0 BGADLO CC[C@@H]1[C@@H](C)CCN1C(=O)Nc1cc[nH+]cc1C ZINC000187670116 171153969 /nfs/dbraw/zinc/15/39/69/171153969.db2.gz COMHTENOAXSZHI-GXFFZTMASA-N 1 2 247.342 3.042 20 0 BGADLO CC[C@H]1[C@@H](C)CCN1C(=O)Nc1cc[nH+]cc1C ZINC000187670136 384970907 /nfs/dbraw/zinc/97/09/07/384970907.db2.gz COMHTENOAXSZHI-GWCFXTLKSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCCC[C@H](C)C1 ZINC000187670881 384971950 /nfs/dbraw/zinc/97/19/50/384971950.db2.gz LTKNVSYEIHNYPU-NSHDSACASA-N 1 2 247.342 3.044 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCCC[C@@H](C)C1 ZINC000187670901 384971760 /nfs/dbraw/zinc/97/17/60/384971760.db2.gz LTKNVSYEIHNYPU-LLVKDONJSA-N 1 2 247.342 3.044 20 0 BGADLO COc1ccccc1NCc1ccc(C)[nH+]c1C ZINC000187703281 387231341 /nfs/dbraw/zinc/23/13/41/387231341.db2.gz YUCRWNSSYSDKJF-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1ccc(CNc2ccc(F)cc2)c(C)[nH+]1 ZINC000187703412 346598036 /nfs/dbraw/zinc/59/80/36/346598036.db2.gz ADXDHEYRZDRFDQ-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(CNc2cccc(F)c2)c(C)[nH+]1 ZINC000187703589 322817469 /nfs/dbraw/zinc/81/74/69/322817469.db2.gz SAVRLXFKEUQAKH-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(CNc2ccccc2F)c(C)[nH+]1 ZINC000187703811 259303599 /nfs/dbraw/zinc/30/35/99/259303599.db2.gz PKSIQVOMRKEQPD-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO CCC[C@H]([NH2+]Cc1ccn[nH]1)c1ccsc1 ZINC000187707319 346601335 /nfs/dbraw/zinc/60/13/35/346601335.db2.gz RZQCLKAPPRIRQS-LBPRGKRZSA-N 1 2 235.356 3.102 20 0 BGADLO CCC[C@@H]([NH2+]Cc1ccn[nH]1)c1ccsc1 ZINC000187707341 346601313 /nfs/dbraw/zinc/60/13/13/346601313.db2.gz RZQCLKAPPRIRQS-GFCCVEGCSA-N 1 2 235.356 3.102 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@H]1C=CCCC1 ZINC000187726127 384975823 /nfs/dbraw/zinc/97/58/23/384975823.db2.gz UKRBKJAUFGIKGE-LBPRGKRZSA-N 1 2 230.311 3.075 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1C=CCCC1 ZINC000187726145 384977469 /nfs/dbraw/zinc/97/74/69/384977469.db2.gz UKRBKJAUFGIKGE-GFCCVEGCSA-N 1 2 230.311 3.075 20 0 BGADLO Cc1cc(C(=O)Nc2c(C)cc(C)[nH+]c2C)co1 ZINC000188093723 346748818 /nfs/dbraw/zinc/74/88/18/346748818.db2.gz SGDFCSXNGCAPBJ-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO C/C=C(\CC)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000188417928 641757756 /nfs/dbraw/zinc/75/77/56/641757756.db2.gz ACJFAQBYTWABLE-WUXMJOGZSA-N 1 2 232.327 3.302 20 0 BGADLO Cc1ccc(NC(=O)C[C@H]2C=CCCC2)c(C)[nH+]1 ZINC000188517799 188172565 /nfs/dbraw/zinc/17/25/65/188172565.db2.gz CEVGVLLYWKDDFC-ZDUSSCGKSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1ccc(NC(=O)C[C@@H]2C=CCCC2)c(C)[nH+]1 ZINC000188517822 188172395 /nfs/dbraw/zinc/17/23/95/188172395.db2.gz CEVGVLLYWKDDFC-CYBMUJFWSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1cc2[nH+]cn(C[C@@H]3CC[C@H](C)O3)c2cc1C ZINC000188531756 178305140 /nfs/dbraw/zinc/30/51/40/178305140.db2.gz YHBOHWRIWLWYPR-STQMWFEESA-N 1 2 244.338 3.221 20 0 BGADLO Cc1cc2[nH+]cn(C[C@H]3CC[C@H](C)O3)c2cc1C ZINC000188531778 178305711 /nfs/dbraw/zinc/30/57/11/178305711.db2.gz YHBOHWRIWLWYPR-QWHCGFSZSA-N 1 2 244.338 3.221 20 0 BGADLO Cc1cc2[nH+]cn(C[C@@H]3CC[C@@H](C)O3)c2cc1C ZINC000188531803 178304749 /nfs/dbraw/zinc/30/47/49/178304749.db2.gz YHBOHWRIWLWYPR-OLZOCXBDSA-N 1 2 244.338 3.221 20 0 BGADLO Cc1cc2[nH+]cn(C[C@H]3CC[C@@H](C)O3)c2cc1C ZINC000188531829 178306151 /nfs/dbraw/zinc/30/61/51/178306151.db2.gz YHBOHWRIWLWYPR-CHWSQXEVSA-N 1 2 244.338 3.221 20 0 BGADLO Cc1cc(NC(=O)NCC(C)(C)C(C)C)cc[nH+]1 ZINC000188566492 178138631 /nfs/dbraw/zinc/13/86/31/178138631.db2.gz HGRXBGKIDRBIAG-UHFFFAOYSA-N 1 2 249.358 3.194 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)NCC(C)(C)C(C)C ZINC000188569123 385067692 /nfs/dbraw/zinc/06/76/92/385067692.db2.gz GBTDWGVEYZGCRE-UHFFFAOYSA-N 1 2 249.358 3.194 20 0 BGADLO CCC[C@@H](C)[NH2+]c1ccc(OC2COC2)cc1 ZINC000188644332 169372537 /nfs/dbraw/zinc/37/25/37/169372537.db2.gz SCSHUOKLGIQUOJ-LLVKDONJSA-N 1 2 235.327 3.065 20 0 BGADLO CCC[C@H](C)[NH2+]c1ccc(OC2COC2)cc1 ZINC000188644355 385076499 /nfs/dbraw/zinc/07/64/99/385076499.db2.gz SCSHUOKLGIQUOJ-NSHDSACASA-N 1 2 235.327 3.065 20 0 BGADLO C[C@@H](CC1CC1)[NH2+]c1ccc(OC2COC2)cc1 ZINC000188644621 385074605 /nfs/dbraw/zinc/07/46/05/385074605.db2.gz YXGBIBRYTATHFY-NSHDSACASA-N 1 2 247.338 3.065 20 0 BGADLO C[C@H](CC1CC1)[NH2+]c1ccc(OC2COC2)cc1 ZINC000188644649 385073457 /nfs/dbraw/zinc/07/34/57/385073457.db2.gz YXGBIBRYTATHFY-LLVKDONJSA-N 1 2 247.338 3.065 20 0 BGADLO c1cc(OC2COC2)ccc1[NH2+]C1CCCCC1 ZINC000188645692 183358017 /nfs/dbraw/zinc/35/80/17/183358017.db2.gz BSAONSBKOPZWPP-UHFFFAOYSA-N 1 2 247.338 3.209 20 0 BGADLO C[C@H]([NH2+]c1ccc(OC2COC2)cc1)C1CCC1 ZINC000188651560 385074765 /nfs/dbraw/zinc/07/47/65/385074765.db2.gz POXZJCSERLGKQY-NSHDSACASA-N 1 2 247.338 3.065 20 0 BGADLO C[C@@H]([NH2+]c1ccc(OC2COC2)cc1)C1CCC1 ZINC000188651584 385074409 /nfs/dbraw/zinc/07/44/09/385074409.db2.gz POXZJCSERLGKQY-LLVKDONJSA-N 1 2 247.338 3.065 20 0 BGADLO CCC(CC)[NH2+]c1ccc(OC2COC2)cc1 ZINC000188653093 168394043 /nfs/dbraw/zinc/39/40/43/168394043.db2.gz CLNBRSBQGGQLHR-UHFFFAOYSA-N 1 2 235.327 3.065 20 0 BGADLO CCc1cccc(C[N@@H+](C)Cc2cc(C)on2)c1 ZINC000188723116 385083595 /nfs/dbraw/zinc/08/35/95/385083595.db2.gz LUOVNSJTEKRGPP-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1cccc(C[N@H+](C)Cc2cc(C)on2)c1 ZINC000188723116 385083586 /nfs/dbraw/zinc/08/35/86/385083586.db2.gz LUOVNSJTEKRGPP-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1ccccc1C[N@@H+](C)Cc1cc(C)on1 ZINC000188833703 385098123 /nfs/dbraw/zinc/09/81/23/385098123.db2.gz HXQPKZJRORTPJN-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1ccccc1C[N@H+](C)Cc1cc(C)on1 ZINC000188833703 385098116 /nfs/dbraw/zinc/09/81/16/385098116.db2.gz HXQPKZJRORTPJN-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO Fc1ccc(Cl)c(C[NH+]2CCSCC2)c1 ZINC000188840256 180972428 /nfs/dbraw/zinc/97/24/28/180972428.db2.gz GZEHNBXFSGJTFH-UHFFFAOYSA-N 1 2 245.750 3.028 20 0 BGADLO CCc1ccccc1C[N@@H+](C)Cc1cscn1 ZINC000188882113 385102245 /nfs/dbraw/zinc/10/22/45/385102245.db2.gz DVTVCQTVRGZWGW-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CCc1ccccc1C[N@H+](C)Cc1cscn1 ZINC000188882113 385102237 /nfs/dbraw/zinc/10/22/37/385102237.db2.gz DVTVCQTVRGZWGW-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CCc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000188894771 385103995 /nfs/dbraw/zinc/10/39/95/385103995.db2.gz JUIAWNNOSVZDKB-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CCc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000188894771 385103989 /nfs/dbraw/zinc/10/39/89/385103989.db2.gz JUIAWNNOSVZDKB-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO Cc1cc(NC(=O)C[C@H]2C=CCCC2)cc[nH+]1 ZINC000188907130 178133683 /nfs/dbraw/zinc/13/36/83/178133683.db2.gz JNADOBAIVJTWSG-LBPRGKRZSA-N 1 2 230.311 3.075 20 0 BGADLO Cc1cc(NC(=O)C[C@@H]2C=CCCC2)cc[nH+]1 ZINC000188907149 178134765 /nfs/dbraw/zinc/13/47/65/178134765.db2.gz JNADOBAIVJTWSG-GFCCVEGCSA-N 1 2 230.311 3.075 20 0 BGADLO Fc1cc(Cl)ccc1C[NH+]1CCSCC1 ZINC000188965514 385106710 /nfs/dbraw/zinc/10/67/10/385106710.db2.gz KFILFTIDNRONNG-UHFFFAOYSA-N 1 2 245.750 3.028 20 0 BGADLO CCc1ccccc1C[N@@H+](C)Cc1nccs1 ZINC000189063367 385121012 /nfs/dbraw/zinc/12/10/12/385121012.db2.gz JXSQWPVFOWMHHG-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CCc1ccccc1C[N@H+](C)Cc1nccs1 ZINC000189063367 385121007 /nfs/dbraw/zinc/12/10/07/385121007.db2.gz JXSQWPVFOWMHHG-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO Clc1ccc(/C=C/COCc2[nH]cc[nH+]2)cc1 ZINC000189115653 346860128 /nfs/dbraw/zinc/86/01/28/346860128.db2.gz LHTRTJSKIDKCLN-OWOJBTEDSA-N 1 2 248.713 3.293 20 0 BGADLO CC[C@@H](C)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000189233353 385137381 /nfs/dbraw/zinc/13/73/81/385137381.db2.gz VURZXAORUDZMRH-SECBINFHSA-N 1 2 220.316 3.073 20 0 BGADLO CC[C@H](C)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000189233372 171262783 /nfs/dbraw/zinc/26/27/83/171262783.db2.gz VURZXAORUDZMRH-VIFPVBQESA-N 1 2 220.316 3.073 20 0 BGADLO Cc1cc2[nH+]cn(CCCOC(C)C)c2cc1C ZINC000189442317 178305020 /nfs/dbraw/zinc/30/50/20/178305020.db2.gz ZWELMXYHLDZAEA-UHFFFAOYSA-N 1 2 246.354 3.468 20 0 BGADLO CC(C)OC1CC(Nc2ccc([NH+](C)C)cc2)C1 ZINC000189477991 641809370 /nfs/dbraw/zinc/80/93/70/641809370.db2.gz IHLIFPOZPGABKR-UHFFFAOYSA-N 1 2 248.370 3.121 20 0 BGADLO CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189484109 170040488 /nfs/dbraw/zinc/04/04/88/170040488.db2.gz UHNNHBXJFJFMTK-GXFFZTMASA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189484109 170040486 /nfs/dbraw/zinc/04/04/86/170040486.db2.gz UHNNHBXJFJFMTK-GXFFZTMASA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189484131 170032209 /nfs/dbraw/zinc/03/22/09/170032209.db2.gz UHNNHBXJFJFMTK-GWCFXTLKSA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@@H]1C ZINC000189484131 170032207 /nfs/dbraw/zinc/03/22/07/170032207.db2.gz UHNNHBXJFJFMTK-GWCFXTLKSA-N 1 2 239.746 3.122 20 0 BGADLO CCc1cccc(C[N@@H+](C)Cc2nccs2)c1 ZINC000189492318 385158680 /nfs/dbraw/zinc/15/86/80/385158680.db2.gz QPSNUHYWDYQIRL-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CCc1cccc(C[N@H+](C)Cc2nccs2)c1 ZINC000189492318 385158673 /nfs/dbraw/zinc/15/86/73/385158673.db2.gz QPSNUHYWDYQIRL-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CC(C)=CCNc1cc(C)[nH+]c(C2CC2)n1 ZINC000189492854 386014823 /nfs/dbraw/zinc/01/48/23/386014823.db2.gz GCQXLQQZPNMYCM-UHFFFAOYSA-N 1 2 217.316 3.041 20 0 BGADLO CCn1cc[nH+]c1CNc1ccsc1Cl ZINC000189527701 346896075 /nfs/dbraw/zinc/89/60/75/346896075.db2.gz MVAVRVLSYVYIQE-UHFFFAOYSA-N 1 2 241.747 3.230 20 0 BGADLO CC(F)(F)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000189546893 385162889 /nfs/dbraw/zinc/16/28/89/385162889.db2.gz LTKRGWDKZMCXRY-UHFFFAOYSA-N 1 2 237.253 3.134 20 0 BGADLO Cc1nc(NCc2ccc(C3CC3)cc2)cc[nH+]1 ZINC000189592366 357644868 /nfs/dbraw/zinc/64/48/68/357644868.db2.gz FSCANMQKWQJVMM-UHFFFAOYSA-N 1 2 239.322 3.275 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]CC[C@@H]1CCCO1 ZINC000189618763 388639806 /nfs/dbraw/zinc/63/98/06/388639806.db2.gz QZABQVZAVSGDLR-ZDUSSCGKSA-N 1 2 249.354 3.375 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]CC[C@H]1CCCO1 ZINC000189618783 388639771 /nfs/dbraw/zinc/63/97/71/388639771.db2.gz QZABQVZAVSGDLR-CYBMUJFWSA-N 1 2 249.354 3.375 20 0 BGADLO Cc1cncc(C[N@H+](C)Cc2ccccc2F)c1 ZINC000189753910 385183174 /nfs/dbraw/zinc/18/31/74/385183174.db2.gz UUNJTEKGVDMTPR-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1cncc(C[N@@H+](C)Cc2ccccc2F)c1 ZINC000189753910 385183169 /nfs/dbraw/zinc/18/31/69/385183169.db2.gz UUNJTEKGVDMTPR-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1nc([C@@H]2CCC[N@H+]2C/C=C/Cl)cs1 ZINC000189794344 180045523 /nfs/dbraw/zinc/04/55/23/180045523.db2.gz APOXUBRJXKHNHR-TZNOJPMFSA-N 1 2 242.775 3.341 20 0 BGADLO Cc1nc([C@@H]2CCC[N@@H+]2C/C=C/Cl)cs1 ZINC000189794344 180045521 /nfs/dbraw/zinc/04/55/21/180045521.db2.gz APOXUBRJXKHNHR-TZNOJPMFSA-N 1 2 242.775 3.341 20 0 BGADLO Cc1nc([C@H]2CCC[N@H+]2C/C=C/Cl)cs1 ZINC000189794361 180058058 /nfs/dbraw/zinc/05/80/58/180058058.db2.gz APOXUBRJXKHNHR-JOAKQRRISA-N 1 2 242.775 3.341 20 0 BGADLO Cc1nc([C@H]2CCC[N@@H+]2C/C=C/Cl)cs1 ZINC000189794361 180058055 /nfs/dbraw/zinc/05/80/55/180058055.db2.gz APOXUBRJXKHNHR-JOAKQRRISA-N 1 2 242.775 3.341 20 0 BGADLO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccco2)cs1 ZINC000189929900 180045055 /nfs/dbraw/zinc/04/50/55/180045055.db2.gz OXDVQYFWDYQJGS-ZDUSSCGKSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccco2)cs1 ZINC000189929900 180045053 /nfs/dbraw/zinc/04/50/53/180045053.db2.gz OXDVQYFWDYQJGS-ZDUSSCGKSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccco2)cs1 ZINC000189929922 180057912 /nfs/dbraw/zinc/05/79/12/180057912.db2.gz OXDVQYFWDYQJGS-CYBMUJFWSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccco2)cs1 ZINC000189929922 180057910 /nfs/dbraw/zinc/05/79/10/180057910.db2.gz OXDVQYFWDYQJGS-CYBMUJFWSA-N 1 2 248.351 3.382 20 0 BGADLO CCc1cccc(CSCCn2cc[nH+]c2)c1 ZINC000190183202 388648762 /nfs/dbraw/zinc/64/87/62/388648762.db2.gz NKTUNMBBTDCHCV-UHFFFAOYSA-N 1 2 246.379 3.379 20 0 BGADLO CC(C)Nc1ccc([N@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000190297436 167147093 /nfs/dbraw/zinc/14/70/93/167147093.db2.gz RAEOYWFNDXLQON-SWLSCSKDSA-N 1 2 230.355 3.496 20 0 BGADLO CC(C)Nc1ccc([N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000190297436 167147091 /nfs/dbraw/zinc/14/70/91/167147091.db2.gz RAEOYWFNDXLQON-SWLSCSKDSA-N 1 2 230.355 3.496 20 0 BGADLO CC(C)[NH2+]c1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000190297436 167147086 /nfs/dbraw/zinc/14/70/86/167147086.db2.gz RAEOYWFNDXLQON-SWLSCSKDSA-N 1 2 230.355 3.496 20 0 BGADLO CC[N@H+](Cc1c[nH]c2ccccc12)CC(F)F ZINC000190473279 538989841 /nfs/dbraw/zinc/98/98/41/538989841.db2.gz ZCBICGKESWSYHM-UHFFFAOYSA-N 1 2 238.281 3.255 20 0 BGADLO CC[N@@H+](Cc1c[nH]c2ccccc12)CC(F)F ZINC000190473279 538989839 /nfs/dbraw/zinc/98/98/39/538989839.db2.gz ZCBICGKESWSYHM-UHFFFAOYSA-N 1 2 238.281 3.255 20 0 BGADLO CCSCCOc1ccc(C)[nH+]c1CC ZINC000190764466 134949444 /nfs/dbraw/zinc/94/94/44/134949444.db2.gz UOXRFKPZHBKESE-UHFFFAOYSA-N 1 2 225.357 3.084 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCCSC ZINC000190764795 357731252 /nfs/dbraw/zinc/73/12/52/357731252.db2.gz IOPLVLKAXDIBAZ-UHFFFAOYSA-N 1 2 225.357 3.084 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1csc(C)n1 ZINC000190765590 397886897 /nfs/dbraw/zinc/88/68/97/397886897.db2.gz RWEJXEUEMFMRGU-UHFFFAOYSA-N 1 2 248.351 3.296 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCCCCOC ZINC000190766434 397887304 /nfs/dbraw/zinc/88/73/04/397887304.db2.gz XAWVIHHHROVZMT-UHFFFAOYSA-N 1 2 237.343 3.148 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCOC(C)(C)C ZINC000190766893 357731059 /nfs/dbraw/zinc/73/10/59/357731059.db2.gz XXYIFASFJXBWOU-UHFFFAOYSA-N 1 2 237.343 3.146 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1nc(C)c(C)o1 ZINC000190768589 397887125 /nfs/dbraw/zinc/88/71/25/397887125.db2.gz IPDOGZRYMABFJD-UHFFFAOYSA-N 1 2 246.310 3.136 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1cnc(C)s1 ZINC000190769557 357730998 /nfs/dbraw/zinc/73/09/98/357730998.db2.gz FQONPAYZYDLFKB-UHFFFAOYSA-N 1 2 248.351 3.296 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1nc(C)cs1 ZINC000190771157 397886938 /nfs/dbraw/zinc/88/69/38/397886938.db2.gz RZWFEBMNUNPCLQ-UHFFFAOYSA-N 1 2 248.351 3.296 20 0 BGADLO CCN(C)c1ccc(CNc2ccccc2)c[nH+]1 ZINC000190811845 357731574 /nfs/dbraw/zinc/73/15/74/357731574.db2.gz SRTNPTLRISIZBX-UHFFFAOYSA-N 1 2 241.338 3.150 20 0 BGADLO Cc1cc(-n2cccn2)ccc1[NH2+]C(C)C ZINC000190852813 538990372 /nfs/dbraw/zinc/99/03/72/538990372.db2.gz PEYMPCOKTRFPEY-UHFFFAOYSA-N 1 2 215.300 3.001 20 0 BGADLO Cc1cc(-n2cccn2)ccc1[NH2+]CC1CC1 ZINC000190862641 538990082 /nfs/dbraw/zinc/99/00/82/538990082.db2.gz QKLBICUSBRAZNB-UHFFFAOYSA-N 1 2 227.311 3.003 20 0 BGADLO CCSCc1ccc(-n2cc[nH+]c2)cc1C ZINC000190914345 357732907 /nfs/dbraw/zinc/73/29/07/357732907.db2.gz OQIXIKXLRQEFKU-UHFFFAOYSA-N 1 2 232.352 3.434 20 0 BGADLO CSCc1ccc(-n2cc[nH+]c2)cc1C ZINC000190915313 357732930 /nfs/dbraw/zinc/73/29/30/357732930.db2.gz BYGWITHXTBZYMF-UHFFFAOYSA-N 1 2 218.325 3.044 20 0 BGADLO CO[C@@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000191013395 386198396 /nfs/dbraw/zinc/19/83/96/386198396.db2.gz BMTXQFFTQYCGSQ-QWHCGFSZSA-N 1 2 242.322 3.214 20 0 BGADLO CO[C@H]1CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000191013411 386198616 /nfs/dbraw/zinc/19/86/16/386198616.db2.gz BMTXQFFTQYCGSQ-STQMWFEESA-N 1 2 242.322 3.214 20 0 BGADLO CO[C@@H]1CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000191013429 386197737 /nfs/dbraw/zinc/19/77/37/386197737.db2.gz BMTXQFFTQYCGSQ-CHWSQXEVSA-N 1 2 242.322 3.214 20 0 BGADLO CO[C@H]1CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000191013445 386198407 /nfs/dbraw/zinc/19/84/07/386198407.db2.gz BMTXQFFTQYCGSQ-OLZOCXBDSA-N 1 2 242.322 3.214 20 0 BGADLO C[C@H](Nc1cccc(-c2[nH+]ccn2C)c1)C1CC1 ZINC000191452936 385302505 /nfs/dbraw/zinc/30/25/05/385302505.db2.gz SMFRIYANKPSORV-NSHDSACASA-N 1 2 241.338 3.298 20 0 BGADLO C[C@@H](Nc1cccc(-c2[nH+]ccn2C)c1)C1CC1 ZINC000191452950 385301410 /nfs/dbraw/zinc/30/14/10/385301410.db2.gz SMFRIYANKPSORV-LLVKDONJSA-N 1 2 241.338 3.298 20 0 BGADLO CC(C)(C)CNc1[nH+]cccc1OC(F)F ZINC000191557147 386972166 /nfs/dbraw/zinc/97/21/66/386972166.db2.gz NWTYOUWNUAKJIA-UHFFFAOYSA-N 1 2 230.258 3.141 20 0 BGADLO Clc1ccc2c(c1)CC[N@H+](Cc1ccco1)C2 ZINC000191613368 357779072 /nfs/dbraw/zinc/77/90/72/357779072.db2.gz DJLGERPJCFTENQ-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Clc1ccc2c(c1)CC[N@@H+](Cc1ccco1)C2 ZINC000191613368 357779069 /nfs/dbraw/zinc/77/90/69/357779069.db2.gz DJLGERPJCFTENQ-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Cc1ccsc1C[NH2+]CC(F)(F)C(F)F ZINC000191768219 398304401 /nfs/dbraw/zinc/30/44/01/398304401.db2.gz BUMHJBYGMVUBFG-UHFFFAOYSA-N 1 2 241.253 3.047 20 0 BGADLO Cc1ccc(C[NH2+]CC(F)(F)C(F)F)s1 ZINC000191768256 355845345 /nfs/dbraw/zinc/84/53/45/355845345.db2.gz FNJHONOYLSSPFU-UHFFFAOYSA-N 1 2 241.253 3.047 20 0 BGADLO Cc1cccc(C)c1C[NH2+]CC(F)(F)C(F)F ZINC000191768406 179037836 /nfs/dbraw/zinc/03/78/36/179037836.db2.gz XLEJGUFSDRPDGW-UHFFFAOYSA-N 1 2 249.251 3.293 20 0 BGADLO Cc1ccc(C[NH2+]CC(F)(F)C(F)F)cc1C ZINC000191770284 386433615 /nfs/dbraw/zinc/43/36/15/386433615.db2.gz IJNVHMIFMWIICC-UHFFFAOYSA-N 1 2 249.251 3.293 20 0 BGADLO Cc1cc(C)cc(C[NH2+]CC(F)(F)C(F)F)c1 ZINC000191773138 386451616 /nfs/dbraw/zinc/45/16/16/386451616.db2.gz JEXFGJJNMUUPJA-UHFFFAOYSA-N 1 2 249.251 3.293 20 0 BGADLO CCc1ccc(C[NH2+]CC(F)(F)C(F)F)cc1 ZINC000191774251 386451063 /nfs/dbraw/zinc/45/10/63/386451063.db2.gz GLUVJRRQQLKGHV-UHFFFAOYSA-N 1 2 249.251 3.239 20 0 BGADLO Cc1ccc(C[NH2+]CC(F)(F)C(F)F)c(C)c1 ZINC000191777416 386453696 /nfs/dbraw/zinc/45/36/96/386453696.db2.gz KUTMYAIYOLQDNL-UHFFFAOYSA-N 1 2 249.251 3.293 20 0 BGADLO Cc1ccc(C)c(C[NH2+]CC(F)(F)C(F)F)c1 ZINC000191777434 386452941 /nfs/dbraw/zinc/45/29/41/386452941.db2.gz ZXIBBNLARSHMTF-UHFFFAOYSA-N 1 2 249.251 3.293 20 0 BGADLO Cc1cccc(C[NH2+]CC(F)(F)C(F)F)c1C ZINC000191779396 386454036 /nfs/dbraw/zinc/45/40/36/386454036.db2.gz OLRMOWMZYXUWKW-UHFFFAOYSA-N 1 2 249.251 3.293 20 0 BGADLO Cc1ccc(Cl)cc1CNc1cc[nH+]c(C)n1 ZINC000191855029 632725122 /nfs/dbraw/zinc/72/51/22/632725122.db2.gz SYHRZELVQRVNLL-UHFFFAOYSA-N 1 2 247.729 3.359 20 0 BGADLO CO[C@H](C)[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000191902689 385332816 /nfs/dbraw/zinc/33/28/16/385332816.db2.gz GOUHOEGAHKLLIO-WDEREUQCSA-N 1 2 230.311 3.070 20 0 BGADLO CO[C@@H](C)[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000191902700 385331368 /nfs/dbraw/zinc/33/13/68/385331368.db2.gz GOUHOEGAHKLLIO-QWRGUYRKSA-N 1 2 230.311 3.070 20 0 BGADLO CCC(C)(C)CNC(=O)Nc1ccc(C)[nH+]c1C ZINC000191913252 353520859 /nfs/dbraw/zinc/52/08/59/353520859.db2.gz YCXGBZLAWXPVQL-UHFFFAOYSA-N 1 2 249.358 3.256 20 0 BGADLO CC(C)c1ccc(C[N@@H+](C)Cc2cocn2)cc1 ZINC000191920788 386712699 /nfs/dbraw/zinc/71/26/99/386712699.db2.gz XCVSVOSUHBKUNW-UHFFFAOYSA-N 1 2 244.338 3.430 20 0 BGADLO CC(C)c1ccc(C[N@H+](C)Cc2cocn2)cc1 ZINC000191920788 386712698 /nfs/dbraw/zinc/71/26/98/386712698.db2.gz XCVSVOSUHBKUNW-UHFFFAOYSA-N 1 2 244.338 3.430 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cocn1 ZINC000191923857 176014996 /nfs/dbraw/zinc/01/49/96/176014996.db2.gz OCXMEGZNZOEAQZ-JTQLQIEISA-N 1 2 234.274 3.007 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cocn1 ZINC000191923857 176014995 /nfs/dbraw/zinc/01/49/95/176014995.db2.gz OCXMEGZNZOEAQZ-JTQLQIEISA-N 1 2 234.274 3.007 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cocn1 ZINC000191923867 177034760 /nfs/dbraw/zinc/03/47/60/177034760.db2.gz OCXMEGZNZOEAQZ-SNVBAGLBSA-N 1 2 234.274 3.007 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cocn1 ZINC000191923867 177034759 /nfs/dbraw/zinc/03/47/59/177034759.db2.gz OCXMEGZNZOEAQZ-SNVBAGLBSA-N 1 2 234.274 3.007 20 0 BGADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cocn2)cc1 ZINC000191926613 385334854 /nfs/dbraw/zinc/33/48/54/385334854.db2.gz FFYAJOQZQNXWKB-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2cocn2)cc1 ZINC000191926613 385334850 /nfs/dbraw/zinc/33/48/50/385334850.db2.gz FFYAJOQZQNXWKB-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2cocn2)cc1 ZINC000191926624 385335009 /nfs/dbraw/zinc/33/50/09/385335009.db2.gz FFYAJOQZQNXWKB-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1ccc([C@H](C)[N@H+](C)Cc2cocn2)cc1 ZINC000191926624 385335004 /nfs/dbraw/zinc/33/50/04/385335004.db2.gz FFYAJOQZQNXWKB-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO c1coc(C[N@@H+](Cc2cocn2)C2CCCC2)c1 ZINC000191926815 385333487 /nfs/dbraw/zinc/33/34/87/385333487.db2.gz IQKDJEZASPLJIA-UHFFFAOYSA-N 1 2 246.310 3.212 20 0 BGADLO c1coc(C[N@H+](Cc2cocn2)C2CCCC2)c1 ZINC000191926815 385333483 /nfs/dbraw/zinc/33/34/83/385333483.db2.gz IQKDJEZASPLJIA-UHFFFAOYSA-N 1 2 246.310 3.212 20 0 BGADLO Fc1cccc([C@@H]2CCC[N@H+]2Cc2cocn2)c1 ZINC000191927364 188174080 /nfs/dbraw/zinc/17/40/80/188174080.db2.gz LJKJQEIJENKGTK-AWEZNQCLSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2cocn2)c1 ZINC000191927364 188174078 /nfs/dbraw/zinc/17/40/78/188174078.db2.gz LJKJQEIJENKGTK-AWEZNQCLSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1cccc([C@H]2CCC[N@H+]2Cc2cocn2)c1 ZINC000191927376 181003686 /nfs/dbraw/zinc/00/36/86/181003686.db2.gz LJKJQEIJENKGTK-CQSZACIVSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1cccc([C@H]2CCC[N@@H+]2Cc2cocn2)c1 ZINC000191927376 181003685 /nfs/dbraw/zinc/00/36/85/181003685.db2.gz LJKJQEIJENKGTK-CQSZACIVSA-N 1 2 246.285 3.151 20 0 BGADLO CC[N@@H+](Cc1cocn1)Cc1ccccc1C ZINC000191927427 347363217 /nfs/dbraw/zinc/36/32/17/347363217.db2.gz IKXVKEPSQHYJFU-UHFFFAOYSA-N 1 2 230.311 3.005 20 0 BGADLO CC[N@H+](Cc1cocn1)Cc1ccccc1C ZINC000191927427 347363215 /nfs/dbraw/zinc/36/32/15/347363215.db2.gz IKXVKEPSQHYJFU-UHFFFAOYSA-N 1 2 230.311 3.005 20 0 BGADLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cocn1 ZINC000191933295 171161702 /nfs/dbraw/zinc/16/17/02/171161702.db2.gz ZATJEWNVCMQBLP-GFCCVEGCSA-N 1 2 248.351 3.246 20 0 BGADLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cocn1 ZINC000191933295 171161700 /nfs/dbraw/zinc/16/17/00/171161700.db2.gz ZATJEWNVCMQBLP-GFCCVEGCSA-N 1 2 248.351 3.246 20 0 BGADLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cocn1 ZINC000191933301 385333645 /nfs/dbraw/zinc/33/36/45/385333645.db2.gz ZATJEWNVCMQBLP-LBPRGKRZSA-N 1 2 248.351 3.246 20 0 BGADLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cocn1 ZINC000191933301 385333642 /nfs/dbraw/zinc/33/36/42/385333642.db2.gz ZATJEWNVCMQBLP-LBPRGKRZSA-N 1 2 248.351 3.246 20 0 BGADLO c1coc([C@@H]2CCCCC[N@@H+]2Cc2cocn2)c1 ZINC000191943609 385335200 /nfs/dbraw/zinc/33/52/00/385335200.db2.gz BUCWRLIINSQKJO-ZDUSSCGKSA-N 1 2 246.310 3.385 20 0 BGADLO c1coc([C@@H]2CCCCC[N@H+]2Cc2cocn2)c1 ZINC000191943609 385335196 /nfs/dbraw/zinc/33/51/96/385335196.db2.gz BUCWRLIINSQKJO-ZDUSSCGKSA-N 1 2 246.310 3.385 20 0 BGADLO c1coc([C@H]2CCCCC[N@@H+]2Cc2cocn2)c1 ZINC000191943616 385333611 /nfs/dbraw/zinc/33/36/11/385333611.db2.gz BUCWRLIINSQKJO-CYBMUJFWSA-N 1 2 246.310 3.385 20 0 BGADLO c1coc([C@H]2CCCCC[N@H+]2Cc2cocn2)c1 ZINC000191943616 385333606 /nfs/dbraw/zinc/33/36/06/385333606.db2.gz BUCWRLIINSQKJO-CYBMUJFWSA-N 1 2 246.310 3.385 20 0 BGADLO C[N@H+](Cc1cocn1)Cc1cc2ccccc2o1 ZINC000191946378 386724195 /nfs/dbraw/zinc/72/41/95/386724195.db2.gz JYLJBSGTTSTMFV-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO C[N@@H+](Cc1cocn1)Cc1cc2ccccc2o1 ZINC000191946378 386724187 /nfs/dbraw/zinc/72/41/87/386724187.db2.gz JYLJBSGTTSTMFV-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2cocn2)[C@H](c2ccco2)C1 ZINC000191947630 176178071 /nfs/dbraw/zinc/17/80/71/176178071.db2.gz KYBVPDNOMIEGFN-YPMHNXCESA-N 1 2 246.310 3.241 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2cocn2)[C@H](c2ccco2)C1 ZINC000191947630 176178070 /nfs/dbraw/zinc/17/80/70/176178070.db2.gz KYBVPDNOMIEGFN-YPMHNXCESA-N 1 2 246.310 3.241 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2cocn2)[C@H](c2ccco2)C1 ZINC000191947636 177166325 /nfs/dbraw/zinc/16/63/25/177166325.db2.gz KYBVPDNOMIEGFN-AAEUAGOBSA-N 1 2 246.310 3.241 20 0 BGADLO C[C@H]1CC[N@H+](Cc2cocn2)[C@H](c2ccco2)C1 ZINC000191947636 177166322 /nfs/dbraw/zinc/16/63/22/177166322.db2.gz KYBVPDNOMIEGFN-AAEUAGOBSA-N 1 2 246.310 3.241 20 0 BGADLO C=Cc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000192103682 365275033 /nfs/dbraw/zinc/27/50/33/365275033.db2.gz YGSITHOHBLEZPI-UHFFFAOYSA-N 1 2 238.290 3.285 20 0 BGADLO Cc1ccc(CNc2cc[nH+]cc2F)cc1C ZINC000192149066 357823983 /nfs/dbraw/zinc/82/39/83/357823983.db2.gz NKHIWDXBFNXPRP-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1cccc(CNc2cc[nH+]cc2F)c1C ZINC000192149314 357824022 /nfs/dbraw/zinc/82/40/22/357824022.db2.gz FGYXGSYQEWLZCR-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1cccc(C)c1CNc1cc[nH+]cc1F ZINC000192149431 357824065 /nfs/dbraw/zinc/82/40/65/357824065.db2.gz FKFZJDZYVWDDTD-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(CNc2cc[nH+]cc2F)c(C)c1 ZINC000192149509 347367739 /nfs/dbraw/zinc/36/77/39/347367739.db2.gz YRTFOQPJNZBCOK-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Fc1cc(F)cc(CNc2cc[nH+]cc2F)c1 ZINC000192149737 347367865 /nfs/dbraw/zinc/36/78/65/347367865.db2.gz AKDIAYJJNVCGHO-UHFFFAOYSA-N 1 2 238.212 3.111 20 0 BGADLO CCOc1ccccc1CNc1cc[nH+]cc1F ZINC000192149752 357824125 /nfs/dbraw/zinc/82/41/25/357824125.db2.gz URFKNVDHLKPFCP-UHFFFAOYSA-N 1 2 246.285 3.232 20 0 BGADLO Fc1ccc(CNc2cc[nH+]cc2F)c(F)c1 ZINC000192150048 365276622 /nfs/dbraw/zinc/27/66/22/365276622.db2.gz REYZKRLHOZZJAW-UHFFFAOYSA-N 1 2 238.212 3.111 20 0 BGADLO CCc1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000192150055 357824487 /nfs/dbraw/zinc/82/44/87/357824487.db2.gz BGXGVDYLUDFVAP-UHFFFAOYSA-N 1 2 230.286 3.395 20 0 BGADLO Cc1ccc(F)c(CNc2cc[nH+]cc2F)c1 ZINC000192150308 357825529 /nfs/dbraw/zinc/82/55/29/357825529.db2.gz LFHIGZRSGJGPIA-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1ccc(C)c(CNc2cc[nH+]cc2F)c1 ZINC000192150371 357825497 /nfs/dbraw/zinc/82/54/97/357825497.db2.gz WZVJLVMCYSSWII-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO CCOc1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000192150441 357824920 /nfs/dbraw/zinc/82/49/20/357824920.db2.gz ZDKWTPIFUJIFQM-UHFFFAOYSA-N 1 2 246.285 3.232 20 0 BGADLO Fc1ccc(CNc2cc[nH+]cc2F)cc1F ZINC000192150450 357825456 /nfs/dbraw/zinc/82/54/56/357825456.db2.gz SRNKLMDAIRQTBP-UHFFFAOYSA-N 1 2 238.212 3.111 20 0 BGADLO Fc1ccc(F)c(CNc2cc[nH+]cc2F)c1 ZINC000192150482 357825109 /nfs/dbraw/zinc/82/51/09/357825109.db2.gz ZXSTWEMDCHANTI-UHFFFAOYSA-N 1 2 238.212 3.111 20 0 BGADLO Cc1cc(F)ccc1CNc1cc[nH+]cc1F ZINC000192150521 357825523 /nfs/dbraw/zinc/82/55/23/357825523.db2.gz XBFFSFOWCKHXBT-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Fc1cccc(CNc2cc[nH+]cc2F)c1F ZINC000192150562 365276708 /nfs/dbraw/zinc/27/67/08/365276708.db2.gz AEYJGZDALDRCLU-UHFFFAOYSA-N 1 2 238.212 3.111 20 0 BGADLO Fc1cccc(F)c1CNc1cc[nH+]cc1F ZINC000192150592 357825421 /nfs/dbraw/zinc/82/54/21/357825421.db2.gz IHXXJVBPXQNHRW-UHFFFAOYSA-N 1 2 238.212 3.111 20 0 BGADLO Cc1cc(C)cc(CNc2cc[nH+]cc2F)c1 ZINC000192150836 357824933 /nfs/dbraw/zinc/82/49/33/357824933.db2.gz REDDIKGJJIMVRH-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1cc(OCC2CC2)c2ccccc2[nH+]1 ZINC000192192162 388677001 /nfs/dbraw/zinc/67/70/01/388677001.db2.gz RLBGGHSIGLUEAA-UHFFFAOYSA-N 1 2 213.280 3.332 20 0 BGADLO CSCCOc1cc(C)[nH+]c2ccccc21 ZINC000192192805 357826323 /nfs/dbraw/zinc/82/63/23/357826323.db2.gz XCYURJAKTFZBAW-UHFFFAOYSA-N 1 2 233.336 3.285 20 0 BGADLO COCCCCOc1cc(C)[nH+]c2ccccc21 ZINC000192193470 174205458 /nfs/dbraw/zinc/20/54/58/174205458.db2.gz BTXILRIBGIUTSZ-UHFFFAOYSA-N 1 2 245.322 3.349 20 0 BGADLO Cc1cc(OCCOC(C)C)c2ccccc2[nH+]1 ZINC000192193542 357826226 /nfs/dbraw/zinc/82/62/26/357826226.db2.gz QRIMHVHWVGSMHH-UHFFFAOYSA-N 1 2 245.322 3.347 20 0 BGADLO c1cc([N@H+]2C[C@H]3CC[C@@H]2C3)ccc1NCC1CC1 ZINC000192216869 385347598 /nfs/dbraw/zinc/34/75/98/385347598.db2.gz SGNTULNFSWIDCJ-XJKSGUPXSA-N 1 2 242.366 3.497 20 0 BGADLO c1cc([N@@H+]2C[C@H]3CC[C@@H]2C3)ccc1NCC1CC1 ZINC000192216869 385347596 /nfs/dbraw/zinc/34/75/96/385347596.db2.gz SGNTULNFSWIDCJ-XJKSGUPXSA-N 1 2 242.366 3.497 20 0 BGADLO c1cc(N2C[C@H]3CC[C@@H]2C3)ccc1[NH2+]CC1CC1 ZINC000192216869 385347594 /nfs/dbraw/zinc/34/75/94/385347594.db2.gz SGNTULNFSWIDCJ-XJKSGUPXSA-N 1 2 242.366 3.497 20 0 BGADLO Cl/C=C/C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192241766 644140077 /nfs/dbraw/zinc/14/00/77/644140077.db2.gz CKXIRZOIKUJUDN-ORCRQEGFSA-N 1 2 242.149 3.451 20 0 BGADLO Cl/C=C/C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192241766 644140073 /nfs/dbraw/zinc/14/00/73/644140073.db2.gz CKXIRZOIKUJUDN-ORCRQEGFSA-N 1 2 242.149 3.451 20 0 BGADLO Cc1c2ccccc2oc1C[NH2+]Cc1cocn1 ZINC000192313983 386755802 /nfs/dbraw/zinc/75/58/02/386755802.db2.gz KHFWPYKUILHSIA-UHFFFAOYSA-N 1 2 242.278 3.019 20 0 BGADLO Clc1cccc(C2([NH2+]Cc3cocn3)CC2)c1 ZINC000192317660 397893664 /nfs/dbraw/zinc/89/36/64/397893664.db2.gz GJKWREPPCVJIOB-UHFFFAOYSA-N 1 2 248.713 3.107 20 0 BGADLO c1ccc(N2CCc3[nH]c4ccccc4c3C2)[nH+]c1 ZINC000192605700 357845970 /nfs/dbraw/zinc/84/59/70/357845970.db2.gz SJKOWSVDGVKKTH-UHFFFAOYSA-N 1 2 249.317 3.126 20 0 BGADLO CCCOc1ccc([NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000192650132 169320288 /nfs/dbraw/zinc/32/02/88/169320288.db2.gz RBDBHTOCWKFEFG-SWLSCSKDSA-N 1 2 249.354 3.312 20 0 BGADLO CCCOc1ccc([NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000192650150 169320142 /nfs/dbraw/zinc/32/01/42/169320142.db2.gz RBDBHTOCWKFEFG-WFASDCNBSA-N 1 2 249.354 3.312 20 0 BGADLO CCCOc1ccc([NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000192650161 169320277 /nfs/dbraw/zinc/32/02/77/169320277.db2.gz RBDBHTOCWKFEFG-IUODEOHRSA-N 1 2 249.354 3.312 20 0 BGADLO CCCOc1ccc([NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000192650180 169320000 /nfs/dbraw/zinc/32/00/00/169320000.db2.gz RBDBHTOCWKFEFG-DOMZBBRYSA-N 1 2 249.354 3.312 20 0 BGADLO Cc1ccc(C(=O)Nc2c(C)cc(C)[nH+]c2C)o1 ZINC000192679647 388681821 /nfs/dbraw/zinc/68/18/21/388681821.db2.gz HYURXQGBYHXHBH-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO CCCCC[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000192688093 387524267 /nfs/dbraw/zinc/52/42/67/387524267.db2.gz YUUCXBCAPUSKMI-AWEZNQCLSA-N 1 2 249.354 3.071 20 0 BGADLO CCCCC[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000192688107 387524046 /nfs/dbraw/zinc/52/40/46/387524046.db2.gz YUUCXBCAPUSKMI-CQSZACIVSA-N 1 2 249.354 3.071 20 0 BGADLO COc1cccc(CNc2ccc(C)[nH+]c2)c1F ZINC000192697419 488186297 /nfs/dbraw/zinc/18/62/97/488186297.db2.gz UCIYLBLDZZGCOV-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO CCOC(=O)[C@@H]([NH2+]C(CC)CC)c1ccccc1 ZINC000192699196 205961408 /nfs/dbraw/zinc/96/14/08/205961408.db2.gz RIKFDEVBFSLIQQ-AWEZNQCLSA-N 1 2 249.354 3.069 20 0 BGADLO CCOC(=O)[C@H]([NH2+]C(CC)CC)c1ccccc1 ZINC000192699202 387528381 /nfs/dbraw/zinc/52/83/81/387528381.db2.gz RIKFDEVBFSLIQQ-CQSZACIVSA-N 1 2 249.354 3.069 20 0 BGADLO COc1cccc(CNc2ccc[nH+]c2C)c1F ZINC000192702160 487475144 /nfs/dbraw/zinc/47/51/44/487475144.db2.gz AIQUCXCGJXZFTM-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1cccc(CNc2c[nH+]ccc2C)c1F ZINC000192702216 487475712 /nfs/dbraw/zinc/47/57/12/487475712.db2.gz VADHUFTZUVFPKS-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1cccc(CNc2c[nH+]cc(C)c2)c1F ZINC000192702305 487475649 /nfs/dbraw/zinc/47/56/49/487475649.db2.gz IQRULAKSTLUEFS-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO Cc1cnc(CNc2ccc3ccccc3[nH+]2)o1 ZINC000192737335 387532127 /nfs/dbraw/zinc/53/21/27/387532127.db2.gz BZAFGYUIXXALFV-UHFFFAOYSA-N 1 2 239.278 3.143 20 0 BGADLO Clc1csc(CNc2cccc[nH+]2)c1 ZINC000192746967 365813155 /nfs/dbraw/zinc/81/31/55/365813155.db2.gz UTVVVBVWQJFEGO-UHFFFAOYSA-N 1 2 224.716 3.409 20 0 BGADLO Clc1ccsc1CNc1cccc[nH+]1 ZINC000192746987 347382868 /nfs/dbraw/zinc/38/28/68/347382868.db2.gz UVFPYVHLQPHUBQ-UHFFFAOYSA-N 1 2 224.716 3.409 20 0 BGADLO COc1cccc(C[N@@H+](C)Cc2ccco2)c1F ZINC000192935918 487757760 /nfs/dbraw/zinc/75/77/60/487757760.db2.gz NYCFNXAHFMTAFD-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO COc1cccc(C[N@H+](C)Cc2ccco2)c1F ZINC000192935918 487757757 /nfs/dbraw/zinc/75/77/57/487757757.db2.gz NYCFNXAHFMTAFD-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO Clc1ccsc1C[NH2+]Cc1nccs1 ZINC000193015472 387344531 /nfs/dbraw/zinc/34/45/31/387344531.db2.gz ANGWLKKQEQVIAL-UHFFFAOYSA-N 1 2 244.772 3.148 20 0 BGADLO Cc1cccc(Nc2cc(C)[nH+]c(C)n2)c1 ZINC000193093352 388756849 /nfs/dbraw/zinc/75/68/49/388756849.db2.gz HTFFTLUXDPBCQQ-UHFFFAOYSA-N 1 2 213.284 3.145 20 0 BGADLO CC(=O)Nc1ccc(Oc2cc[nH+]cc2)c(C)c1 ZINC000193188461 388695295 /nfs/dbraw/zinc/69/52/95/388695295.db2.gz LWMWKZTXNWJSFP-UHFFFAOYSA-N 1 2 242.278 3.141 20 0 BGADLO COc1cccc2c(N(C)C3CCC3)cc[nH+]c12 ZINC000193484638 367179698 /nfs/dbraw/zinc/17/96/98/367179698.db2.gz SHLQRFISCINLNN-UHFFFAOYSA-N 1 2 242.322 3.232 20 0 BGADLO COc1cc(SC)ccc1[NH2+]CC(C)C ZINC000193494830 387577263 /nfs/dbraw/zinc/57/72/63/387577263.db2.gz VRMUDIYJXYADEE-UHFFFAOYSA-N 1 2 225.357 3.485 20 0 BGADLO COc1ccc2[nH+]c(N3CCCCC3)ccc2c1 ZINC000193507393 388363406 /nfs/dbraw/zinc/36/34/06/388363406.db2.gz HFZJRUAQASJRLN-UHFFFAOYSA-N 1 2 242.322 3.234 20 0 BGADLO C[C@@H]1CCCC[C@@H]1OCCNc1cccc[nH+]1 ZINC000193988685 387871022 /nfs/dbraw/zinc/87/10/22/387871022.db2.gz CDDRJQRLKXWALC-OLZOCXBDSA-N 1 2 234.343 3.089 20 0 BGADLO C[C@H]1CCCC[C@@H]1OCCNc1cccc[nH+]1 ZINC000193988696 387869926 /nfs/dbraw/zinc/86/99/26/387869926.db2.gz CDDRJQRLKXWALC-STQMWFEESA-N 1 2 234.343 3.089 20 0 BGADLO C[C@@H]1CCCC[C@H]1OCCNc1cccc[nH+]1 ZINC000193988707 387871298 /nfs/dbraw/zinc/87/12/98/387871298.db2.gz CDDRJQRLKXWALC-CHWSQXEVSA-N 1 2 234.343 3.089 20 0 BGADLO C[C@H]1CCCC[C@H]1OCCNc1cccc[nH+]1 ZINC000193988719 387871561 /nfs/dbraw/zinc/87/15/61/387871561.db2.gz CDDRJQRLKXWALC-QWHCGFSZSA-N 1 2 234.343 3.089 20 0 BGADLO CC(C)CCOC1CCN(c2cccc[nH+]2)CC1 ZINC000194030413 388722023 /nfs/dbraw/zinc/72/20/23/388722023.db2.gz SPPMIKJIRITLTE-UHFFFAOYSA-N 1 2 248.370 3.113 20 0 BGADLO COc1ccc(F)cc1[C@H](C)Nc1cccc[nH+]1 ZINC000194046473 259396107 /nfs/dbraw/zinc/39/61/07/259396107.db2.gz KSDKVIPGTNCIKT-JTQLQIEISA-N 1 2 246.285 3.402 20 0 BGADLO COc1ccc(F)cc1[C@@H](C)Nc1cccc[nH+]1 ZINC000194046484 259614194 /nfs/dbraw/zinc/61/41/94/259614194.db2.gz KSDKVIPGTNCIKT-SNVBAGLBSA-N 1 2 246.285 3.402 20 0 BGADLO Cc1cc(NC[C@@H]2CCC=CO2)ccc1[NH+](C)C ZINC000194134977 178164990 /nfs/dbraw/zinc/16/49/90/178164990.db2.gz JIUJMLXWWBETKU-AWEZNQCLSA-N 1 2 246.354 3.166 20 0 BGADLO Cc1cc(NC[C@H]2CCC=CO2)ccc1[NH+](C)C ZINC000194134993 178168399 /nfs/dbraw/zinc/16/83/99/178168399.db2.gz JIUJMLXWWBETKU-CQSZACIVSA-N 1 2 246.354 3.166 20 0 BGADLO C[C@@H]1C[N@H+](Cc2sccc2Cl)C[C@H](C)O1 ZINC000194293519 177271752 /nfs/dbraw/zinc/27/17/52/177271752.db2.gz AUMMAIBQIJRLMW-DTORHVGOSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2sccc2Cl)C[C@H](C)O1 ZINC000194293519 177271751 /nfs/dbraw/zinc/27/17/51/177271751.db2.gz AUMMAIBQIJRLMW-DTORHVGOSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[NH+](Cc2sccc2Cl)C[C@H](C)O1 ZINC000194293533 177272312 /nfs/dbraw/zinc/27/23/12/177272312.db2.gz AUMMAIBQIJRLMW-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[NH+](Cc2sccc2Cl)C[C@@H](C)O1 ZINC000194293544 176313522 /nfs/dbraw/zinc/31/35/22/176313522.db2.gz AUMMAIBQIJRLMW-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)C[C@H](C)O1 ZINC000194293561 177260818 /nfs/dbraw/zinc/26/08/18/177260818.db2.gz MXYXBFUNOYQMNK-DTORHVGOSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)C[C@H](C)O1 ZINC000194293561 177260817 /nfs/dbraw/zinc/26/08/17/177260817.db2.gz MXYXBFUNOYQMNK-DTORHVGOSA-N 1 2 245.775 3.011 20 0 BGADLO CC[C@@H]1C[N@@H+](Cc2sccc2Cl)CCO1 ZINC000194321871 171094624 /nfs/dbraw/zinc/09/46/24/171094624.db2.gz RDEKGPUSMXPTNM-SECBINFHSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1C[N@H+](Cc2sccc2Cl)CCO1 ZINC000194321871 171094623 /nfs/dbraw/zinc/09/46/23/171094623.db2.gz RDEKGPUSMXPTNM-SECBINFHSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1C[N@@H+](Cc2sccc2Cl)CCO1 ZINC000194321885 385429580 /nfs/dbraw/zinc/42/95/80/385429580.db2.gz RDEKGPUSMXPTNM-VIFPVBQESA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1C[N@H+](Cc2sccc2Cl)CCO1 ZINC000194321885 385429574 /nfs/dbraw/zinc/42/95/74/385429574.db2.gz RDEKGPUSMXPTNM-VIFPVBQESA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)CCO1 ZINC000194321902 171087795 /nfs/dbraw/zinc/08/77/95/171087795.db2.gz GQHINHCNTGCGTP-SNVBAGLBSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cs2)CCO1 ZINC000194321902 171087794 /nfs/dbraw/zinc/08/77/94/171087794.db2.gz GQHINHCNTGCGTP-SNVBAGLBSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cs2)CCO1 ZINC000194321914 385428546 /nfs/dbraw/zinc/42/85/46/385428546.db2.gz GQHINHCNTGCGTP-JTQLQIEISA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1C[N@H+](Cc2cc(Cl)cs2)CCO1 ZINC000194321914 385428542 /nfs/dbraw/zinc/42/85/42/385428542.db2.gz GQHINHCNTGCGTP-JTQLQIEISA-N 1 2 245.775 3.012 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2sccc2Cl)[C@H](C)CO1 ZINC000194337896 176312922 /nfs/dbraw/zinc/31/29/22/176312922.db2.gz YFMCGNWHOWMIJM-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@H+](Cc2sccc2Cl)[C@H](C)CO1 ZINC000194337896 176312921 /nfs/dbraw/zinc/31/29/21/176312921.db2.gz YFMCGNWHOWMIJM-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1sccc1Cl ZINC000194337912 177271595 /nfs/dbraw/zinc/27/15/95/177271595.db2.gz YFMCGNWHOWMIJM-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1sccc1Cl ZINC000194337912 177271593 /nfs/dbraw/zinc/27/15/93/177271593.db2.gz YFMCGNWHOWMIJM-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)[C@H](C)CO1 ZINC000194337933 176302112 /nfs/dbraw/zinc/30/21/12/176302112.db2.gz OPOSASZDYARFKC-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)[C@H](C)CO1 ZINC000194337933 176302110 /nfs/dbraw/zinc/30/21/10/176302110.db2.gz OPOSASZDYARFKC-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Cl)cs1 ZINC000194337944 177260789 /nfs/dbraw/zinc/26/07/89/177260789.db2.gz OPOSASZDYARFKC-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Cl)cs1 ZINC000194337944 177260788 /nfs/dbraw/zinc/26/07/88/177260788.db2.gz OPOSASZDYARFKC-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO CC1(C)C[N@@H+](Cc2sccc2Cl)CCO1 ZINC000194344364 259396902 /nfs/dbraw/zinc/39/69/02/259396902.db2.gz ZBANRPLVZUFGBW-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)C[N@H+](Cc2sccc2Cl)CCO1 ZINC000194344364 259396901 /nfs/dbraw/zinc/39/69/01/259396901.db2.gz ZBANRPLVZUFGBW-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)C[N@@H+](Cc2cc(Cl)cs2)CCO1 ZINC000194344381 388730049 /nfs/dbraw/zinc/73/00/49/388730049.db2.gz HEGWPBAVNNYWEZ-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)C[N@H+](Cc2cc(Cl)cs2)CCO1 ZINC000194344381 388730047 /nfs/dbraw/zinc/73/00/47/388730047.db2.gz HEGWPBAVNNYWEZ-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO Cn1cc[nH+]c1CSc1ccc2c(c1)CCC2 ZINC000194345815 388729774 /nfs/dbraw/zinc/72/97/74/388729774.db2.gz ZJHLINQXKRFALL-UHFFFAOYSA-N 1 2 244.363 3.201 20 0 BGADLO CC[C@@H]1COCC[N@H+]1Cc1sccc1Cl ZINC000194345889 367280895 /nfs/dbraw/zinc/28/08/95/367280895.db2.gz NRJYOYOUYPNSKQ-SECBINFHSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1COCC[N@@H+]1Cc1sccc1Cl ZINC000194345889 367280891 /nfs/dbraw/zinc/28/08/91/367280891.db2.gz NRJYOYOUYPNSKQ-SECBINFHSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1COCC[N@H+]1Cc1sccc1Cl ZINC000194345907 367281618 /nfs/dbraw/zinc/28/16/18/367281618.db2.gz NRJYOYOUYPNSKQ-VIFPVBQESA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1COCC[N@@H+]1Cc1sccc1Cl ZINC000194345907 367281615 /nfs/dbraw/zinc/28/16/15/367281615.db2.gz NRJYOYOUYPNSKQ-VIFPVBQESA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1COCC[N@H+]1Cc1cc(Cl)cs1 ZINC000194345932 388729989 /nfs/dbraw/zinc/72/99/89/388729989.db2.gz UYFOZLILZIKZMF-SNVBAGLBSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1COCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000194345932 388729986 /nfs/dbraw/zinc/72/99/86/388729986.db2.gz UYFOZLILZIKZMF-SNVBAGLBSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1COCC[N@H+]1Cc1cc(Cl)cs1 ZINC000194345945 388729550 /nfs/dbraw/zinc/72/95/50/388729550.db2.gz UYFOZLILZIKZMF-JTQLQIEISA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1COCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000194345945 388729547 /nfs/dbraw/zinc/72/95/47/388729547.db2.gz UYFOZLILZIKZMF-JTQLQIEISA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)COCC[N@H+]1Cc1cc(Cl)cs1 ZINC000194352847 387879027 /nfs/dbraw/zinc/87/90/27/387879027.db2.gz DLCCFTHIKVSNBJ-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)COCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000194352847 387879022 /nfs/dbraw/zinc/87/90/22/387879022.db2.gz DLCCFTHIKVSNBJ-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO COc1cc(CNc2ccc(C)[nH+]c2)ccc1C ZINC000194377092 385433586 /nfs/dbraw/zinc/43/35/86/385433586.db2.gz NSHCTSBNOCTIDR-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1cc(CNc2c[nH+]ccc2C)ccc1C ZINC000194390076 385433362 /nfs/dbraw/zinc/43/33/62/385433362.db2.gz BVVFKQSLEAGPQJ-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1sccc1Cl ZINC000194399326 385433537 /nfs/dbraw/zinc/43/35/37/385433537.db2.gz ABFFDEKODOTWMA-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1sccc1Cl ZINC000194399326 385433534 /nfs/dbraw/zinc/43/35/34/385433534.db2.gz ABFFDEKODOTWMA-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1OCC[N@@H+](Cc2sccc2Cl)[C@H]1C ZINC000194399338 385432564 /nfs/dbraw/zinc/43/25/64/385432564.db2.gz ABFFDEKODOTWMA-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1OCC[N@H+](Cc2sccc2Cl)[C@H]1C ZINC000194399338 385432557 /nfs/dbraw/zinc/43/25/57/385432557.db2.gz ABFFDEKODOTWMA-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@@H+](Cc2sccc2Cl)[C@@H]1C ZINC000194399353 177399161 /nfs/dbraw/zinc/39/91/61/177399161.db2.gz ABFFDEKODOTWMA-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@H+](Cc2sccc2Cl)[C@@H]1C ZINC000194399353 177399159 /nfs/dbraw/zinc/39/91/59/177399159.db2.gz ABFFDEKODOTWMA-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@@H+](Cc2sccc2Cl)[C@H]1C ZINC000194399363 385433423 /nfs/dbraw/zinc/43/34/23/385433423.db2.gz ABFFDEKODOTWMA-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@H+](Cc2sccc2Cl)[C@H]1C ZINC000194399363 385433421 /nfs/dbraw/zinc/43/34/21/385433421.db2.gz ABFFDEKODOTWMA-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cc(Cl)cs1 ZINC000194399383 388731673 /nfs/dbraw/zinc/73/16/73/388731673.db2.gz BWOCWMPERGEFKL-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000194399383 388731670 /nfs/dbraw/zinc/73/16/70/388731670.db2.gz BWOCWMPERGEFKL-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1OCC[N@@H+](Cc2cc(Cl)cs2)[C@H]1C ZINC000194399395 388732229 /nfs/dbraw/zinc/73/22/29/388732229.db2.gz BWOCWMPERGEFKL-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1OCC[N@H+](Cc2cc(Cl)cs2)[C@H]1C ZINC000194399395 388732228 /nfs/dbraw/zinc/73/22/28/388732228.db2.gz BWOCWMPERGEFKL-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@@H+](Cc2cc(Cl)cs2)[C@@H]1C ZINC000194399407 388732086 /nfs/dbraw/zinc/73/20/86/388732086.db2.gz BWOCWMPERGEFKL-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@H+](Cc2cc(Cl)cs2)[C@@H]1C ZINC000194399407 388732085 /nfs/dbraw/zinc/73/20/85/388732085.db2.gz BWOCWMPERGEFKL-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@@H+](Cc2cc(Cl)cs2)[C@H]1C ZINC000194399418 388731844 /nfs/dbraw/zinc/73/18/44/388731844.db2.gz BWOCWMPERGEFKL-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@H+](Cc2cc(Cl)cs2)[C@H]1C ZINC000194399418 388731842 /nfs/dbraw/zinc/73/18/42/388731842.db2.gz BWOCWMPERGEFKL-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO CC/C=C(\C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000194410395 644316992 /nfs/dbraw/zinc/31/69/92/644316992.db2.gz GKPDQDUDJAZJCF-VQHVLOKHSA-N 1 2 232.327 3.302 20 0 BGADLO Cn1cc[nH+]c1CSCC1CCCCC1 ZINC000194611414 388737001 /nfs/dbraw/zinc/73/70/01/388737001.db2.gz HBGKDKHDJCYSLN-UHFFFAOYSA-N 1 2 224.373 3.234 20 0 BGADLO Clc1cc(Cl)cc(CCn2cc[nH+]c2)c1 ZINC000194613616 206099286 /nfs/dbraw/zinc/09/92/86/206099286.db2.gz LOEVPLLKTWTXGF-UHFFFAOYSA-N 1 2 241.121 3.433 20 0 BGADLO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(F)c2)no1 ZINC000194987215 367328710 /nfs/dbraw/zinc/32/87/10/367328710.db2.gz FHGBCBPVIKPIDV-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(F)c2)no1 ZINC000194987215 367328708 /nfs/dbraw/zinc/32/87/08/367328708.db2.gz FHGBCBPVIKPIDV-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(F)c2)no1 ZINC000194987229 367328059 /nfs/dbraw/zinc/32/80/59/367328059.db2.gz FHGBCBPVIKPIDV-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(F)c2)no1 ZINC000194987229 367328053 /nfs/dbraw/zinc/32/80/53/367328053.db2.gz FHGBCBPVIKPIDV-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO COc1cc(CNc2cc[nH+]cc2F)ccc1C ZINC000195010998 388083209 /nfs/dbraw/zinc/08/32/09/388083209.db2.gz UGWUXLSMJZRTLI-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO CCOc1ccc([NH2+][C@@H]2CCOC[C@@H]2C)c(C)c1 ZINC000195048163 385457592 /nfs/dbraw/zinc/45/75/92/385457592.db2.gz GVEWHTPMIYRUKE-SWLSCSKDSA-N 1 2 249.354 3.231 20 0 BGADLO CCOc1ccc([NH2+][C@H]2CCOC[C@@H]2C)c(C)c1 ZINC000195048174 170553474 /nfs/dbraw/zinc/55/34/74/170553474.db2.gz GVEWHTPMIYRUKE-WFASDCNBSA-N 1 2 249.354 3.231 20 0 BGADLO CCOc1ccc([NH2+][C@@H]2CCOC[C@H]2C)c(C)c1 ZINC000195048185 385457964 /nfs/dbraw/zinc/45/79/64/385457964.db2.gz GVEWHTPMIYRUKE-IUODEOHRSA-N 1 2 249.354 3.231 20 0 BGADLO CCOc1ccc([NH2+][C@H]2CCOC[C@H]2C)c(C)c1 ZINC000195048195 385457914 /nfs/dbraw/zinc/45/79/14/385457914.db2.gz GVEWHTPMIYRUKE-DOMZBBRYSA-N 1 2 249.354 3.231 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000195051051 167296811 /nfs/dbraw/zinc/29/68/11/167296811.db2.gz YTSDRRZDTLCYON-DOMZBBRYSA-N 1 2 249.354 3.311 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000195051061 167297023 /nfs/dbraw/zinc/29/70/23/167297023.db2.gz YTSDRRZDTLCYON-WFASDCNBSA-N 1 2 249.354 3.311 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000195051073 167297387 /nfs/dbraw/zinc/29/73/87/167297387.db2.gz YTSDRRZDTLCYON-IUODEOHRSA-N 1 2 249.354 3.311 20 0 BGADLO CC(C)Oc1ccc([NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000195051085 167297281 /nfs/dbraw/zinc/29/72/81/167297281.db2.gz YTSDRRZDTLCYON-SWLSCSKDSA-N 1 2 249.354 3.311 20 0 BGADLO CCn1ccnc1C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000195513963 388165759 /nfs/dbraw/zinc/16/57/59/388165759.db2.gz JZIDCNRYSYZBMK-ZDUSSCGKSA-N 1 2 243.354 3.096 20 0 BGADLO CCn1ccnc1C[N@H+](C)[C@@H](C)c1ccccc1 ZINC000195513963 388165758 /nfs/dbraw/zinc/16/57/58/388165758.db2.gz JZIDCNRYSYZBMK-ZDUSSCGKSA-N 1 2 243.354 3.096 20 0 BGADLO CCn1ccnc1C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000195513964 388165147 /nfs/dbraw/zinc/16/51/47/388165147.db2.gz JZIDCNRYSYZBMK-CYBMUJFWSA-N 1 2 243.354 3.096 20 0 BGADLO CCn1ccnc1C[N@H+](C)[C@H](C)c1ccccc1 ZINC000195513964 388165145 /nfs/dbraw/zinc/16/51/45/388165145.db2.gz JZIDCNRYSYZBMK-CYBMUJFWSA-N 1 2 243.354 3.096 20 0 BGADLO CCn1ccnc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000195514778 256783568 /nfs/dbraw/zinc/78/35/68/256783568.db2.gz GIKDNAIWEGSWGR-NSHDSACASA-N 1 2 249.383 3.158 20 0 BGADLO CCn1ccnc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000195514778 256783565 /nfs/dbraw/zinc/78/35/65/256783565.db2.gz GIKDNAIWEGSWGR-NSHDSACASA-N 1 2 249.383 3.158 20 0 BGADLO CCn1ccnc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000195514779 388165240 /nfs/dbraw/zinc/16/52/40/388165240.db2.gz GIKDNAIWEGSWGR-LLVKDONJSA-N 1 2 249.383 3.158 20 0 BGADLO CCn1ccnc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000195514779 388165238 /nfs/dbraw/zinc/16/52/38/388165238.db2.gz GIKDNAIWEGSWGR-LLVKDONJSA-N 1 2 249.383 3.158 20 0 BGADLO CCCOc1cc(C)[nH+]c2ccc(OC)cc21 ZINC000195533535 388712782 /nfs/dbraw/zinc/71/27/82/388712782.db2.gz QRNOQMHBHBQPNH-UHFFFAOYSA-N 1 2 231.295 3.341 20 0 BGADLO CN(CC1CCCCC1)c1cccc[nH+]1 ZINC000195664130 387320925 /nfs/dbraw/zinc/32/09/25/387320925.db2.gz YTULNDNJLCXVGE-UHFFFAOYSA-N 1 2 204.317 3.098 20 0 BGADLO CCCCOc1ccccc1-n1cc[nH+]c1 ZINC000198602097 345726684 /nfs/dbraw/zinc/72/66/84/345726684.db2.gz ZFVKIMHQAMCAIR-UHFFFAOYSA-N 1 2 216.284 3.051 20 0 BGADLO Clc1ccc(COc2cc[nH+]cc2)cc1 ZINC000198791891 397930442 /nfs/dbraw/zinc/93/04/42/397930442.db2.gz BVZZDHFATCXUEL-UHFFFAOYSA-N 1 2 219.671 3.314 20 0 BGADLO Clc1ccc(/C=C\Cn2cc[nH+]c2)cc1 ZINC000198868044 345727631 /nfs/dbraw/zinc/72/76/31/345727631.db2.gz YZMUWDMUERKVJC-UPHRSURJSA-N 1 2 218.687 3.250 20 0 BGADLO C[Si](C)(C)CSc1[nH+]cc2ccccn21 ZINC000199963018 644503558 /nfs/dbraw/zinc/50/35/58/644503558.db2.gz QSOYHJJUOIGRMR-UHFFFAOYSA-N 1 2 236.416 3.304 20 0 BGADLO CC(C)(C)CCC[N@H+]1CCC(F)(F)C1 ZINC000200280439 346921576 /nfs/dbraw/zinc/92/15/76/346921576.db2.gz OFCAEXYJMGYJHY-UHFFFAOYSA-N 1 2 205.292 3.154 20 0 BGADLO CC(C)(C)CCC[N@@H+]1CCC(F)(F)C1 ZINC000200280439 346921574 /nfs/dbraw/zinc/92/15/74/346921574.db2.gz OFCAEXYJMGYJHY-UHFFFAOYSA-N 1 2 205.292 3.154 20 0 BGADLO CC(C)c1cccc(-c2[nH+]ccn2C)c1 ZINC000201170855 490306895 /nfs/dbraw/zinc/30/68/95/490306895.db2.gz DXBIFGXRBAXQSC-UHFFFAOYSA-N 1 2 200.285 3.211 20 0 BGADLO CC(C)(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000201203812 345729746 /nfs/dbraw/zinc/72/97/46/345729746.db2.gz PWEZHZSWHUEMGU-GFCCVEGCSA-N 1 2 218.344 3.344 20 0 BGADLO CC(C)(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000201203846 345729930 /nfs/dbraw/zinc/72/99/30/345729930.db2.gz PWEZHZSWHUEMGU-LBPRGKRZSA-N 1 2 218.344 3.344 20 0 BGADLO CCCCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000201528425 345729644 /nfs/dbraw/zinc/72/96/44/345729644.db2.gz KVEZMAUSMIZJBV-UHFFFAOYSA-N 1 2 230.311 3.441 20 0 BGADLO CCCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000202458956 348020291 /nfs/dbraw/zinc/02/02/91/348020291.db2.gz ORRWQBSPASUWDY-UHFFFAOYSA-N 1 2 242.326 3.059 20 0 BGADLO CCCCN(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000202460489 345730816 /nfs/dbraw/zinc/73/08/16/345730816.db2.gz GIRWOFFPQSBWIP-UHFFFAOYSA-N 1 2 221.348 3.145 20 0 BGADLO Cc1ccc(Sc2[nH+]cnc3[nH]ccc32)cc1 ZINC000202896863 345730648 /nfs/dbraw/zinc/73/06/48/345730648.db2.gz DTNQQKACVQVUEB-UHFFFAOYSA-N 1 2 241.319 3.418 20 0 BGADLO CCCc1nc(COc2cc[nH+]cc2)cs1 ZINC000204278013 348289130 /nfs/dbraw/zinc/28/91/30/348289130.db2.gz ZSAGSPGYWWRMAX-UHFFFAOYSA-N 1 2 234.324 3.070 20 0 BGADLO CC(C)CCOc1ccccc1-n1cc[nH+]c1 ZINC000204459237 345732109 /nfs/dbraw/zinc/73/21/09/345732109.db2.gz JJDWCZHQJLBYDN-UHFFFAOYSA-N 1 2 230.311 3.297 20 0 BGADLO Fc1ccc(C[NH+]2CCCCC2)c(F)c1F ZINC000205319157 487677291 /nfs/dbraw/zinc/67/72/91/487677291.db2.gz XXGXTFUXGVJCML-UHFFFAOYSA-N 1 2 229.245 3.090 20 0 BGADLO CCSc1ccccc1-c1[nH+]ccn1C ZINC000205511613 491108037 /nfs/dbraw/zinc/10/80/37/491108037.db2.gz NNVNYKFHIHXZME-UHFFFAOYSA-N 1 2 218.325 3.199 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(F)F ZINC000205536648 345732844 /nfs/dbraw/zinc/73/28/44/345732844.db2.gz BMJASCOQAQFCCN-LLVKDONJSA-N 1 2 225.282 3.164 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1(F)F ZINC000205536648 345732842 /nfs/dbraw/zinc/73/28/42/345732842.db2.gz BMJASCOQAQFCCN-LLVKDONJSA-N 1 2 225.282 3.164 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1(F)F ZINC000205536662 345732743 /nfs/dbraw/zinc/73/27/43/345732743.db2.gz BMJASCOQAQFCCN-NSHDSACASA-N 1 2 225.282 3.164 20 0 BGADLO C[C@H]1CC[N@H+](Cc2ccccc2)CC1(F)F ZINC000205536662 345732742 /nfs/dbraw/zinc/73/27/42/345732742.db2.gz BMJASCOQAQFCCN-NSHDSACASA-N 1 2 225.282 3.164 20 0 BGADLO Cc1ccc(CN(C)c2cccc[nH+]2)cc1 ZINC000207503606 348772123 /nfs/dbraw/zinc/77/21/23/348772123.db2.gz GHECVWJHXJPOLG-UHFFFAOYSA-N 1 2 212.296 3.026 20 0 BGADLO C/C=C/C=C\C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000211146447 256677305 /nfs/dbraw/zinc/67/73/05/256677305.db2.gz ZQRLRCGIPGSUCG-MDAAKZFYSA-N 1 2 230.311 3.078 20 0 BGADLO Cl/C=C\CSc1[nH+]cc2ccccn21 ZINC000211608870 591209475 /nfs/dbraw/zinc/20/94/75/591209475.db2.gz VILKWHYKESCRJO-HYXAFXHYSA-N 1 2 224.716 3.179 20 0 BGADLO Cc1noc(C)c1[C@@H](C)[NH2+]C/C(Cl)=C\Cl ZINC000211839169 591269610 /nfs/dbraw/zinc/26/96/10/591269610.db2.gz OYXLOTWYKVFFFG-ZTTKRAHPSA-N 1 2 249.141 3.261 20 0 BGADLO Cc1noc(C)c1[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC000211839253 591269400 /nfs/dbraw/zinc/26/94/00/591269400.db2.gz OYXLOTWYKVFFFG-UYHMVEIHSA-N 1 2 249.141 3.261 20 0 BGADLO C[C@@H](O)c1ccc(N(C)CC2CCCCC2)[nH+]c1 ZINC000213252774 591457866 /nfs/dbraw/zinc/45/78/66/591457866.db2.gz JXOIXDIMRFXSMU-GFCCVEGCSA-N 1 2 248.370 3.151 20 0 BGADLO C[C@H](O)c1ccc(N(C)CC2CCCCC2)[nH+]c1 ZINC000213254091 591457078 /nfs/dbraw/zinc/45/70/78/591457078.db2.gz JXOIXDIMRFXSMU-LBPRGKRZSA-N 1 2 248.370 3.151 20 0 BGADLO C[C@@H](O)c1ccc(N(C)[C@H]2CCC[C@@H](C)C2)[nH+]c1 ZINC000213256752 591456898 /nfs/dbraw/zinc/45/68/98/591456898.db2.gz QDZXBGABQFXTEA-BZPMIXESSA-N 1 2 248.370 3.150 20 0 BGADLO C[C@@H](O)c1ccc(N(C)[C@@H]2CCC[C@@H](C)C2)[nH+]c1 ZINC000213256870 591457881 /nfs/dbraw/zinc/45/78/81/591457881.db2.gz QDZXBGABQFXTEA-YRGRVCCFSA-N 1 2 248.370 3.150 20 0 BGADLO C[C@@H](O)c1ccc(N(C)C2CCC(C)CC2)[nH+]c1 ZINC000213258024 591457484 /nfs/dbraw/zinc/45/74/84/591457484.db2.gz HELCQPWGIBPEEH-MBHSVXNSSA-N 1 2 248.370 3.150 20 0 BGADLO C[C@H](O)c1ccc(N(C)C2CCC(C)CC2)[nH+]c1 ZINC000213259136 591457407 /nfs/dbraw/zinc/45/74/07/591457407.db2.gz HELCQPWGIBPEEH-LXVYMNJGSA-N 1 2 248.370 3.150 20 0 BGADLO C[C@H](O)c1ccc(N(C)[C@H]2CCC[C@@H](C)C2)[nH+]c1 ZINC000213259300 591457574 /nfs/dbraw/zinc/45/75/74/591457574.db2.gz QDZXBGABQFXTEA-DYEKYZERSA-N 1 2 248.370 3.150 20 0 BGADLO C[C@H](O)c1ccc(N(C)[C@@H]2CCC[C@@H](C)C2)[nH+]c1 ZINC000213259426 591457389 /nfs/dbraw/zinc/45/73/89/591457389.db2.gz QDZXBGABQFXTEA-MBNYWOFBSA-N 1 2 248.370 3.150 20 0 BGADLO C[C@@H](O)c1ccc(N(C)[C@@H](C)C(C)(C)C)[nH+]c1 ZINC000213262950 591457478 /nfs/dbraw/zinc/45/74/78/591457478.db2.gz PURLSODLOTYVLA-MNOVXSKESA-N 1 2 236.359 3.006 20 0 BGADLO C[C@@H](O)c1ccc(N(C)[C@H](C)C(C)(C)C)[nH+]c1 ZINC000213263010 591457417 /nfs/dbraw/zinc/45/74/17/591457417.db2.gz PURLSODLOTYVLA-GHMZBOCLSA-N 1 2 236.359 3.006 20 0 BGADLO C[C@H](O)c1ccc(N(C)[C@@H](C)C(C)(C)C)[nH+]c1 ZINC000213263068 591457370 /nfs/dbraw/zinc/45/73/70/591457370.db2.gz PURLSODLOTYVLA-QWRGUYRKSA-N 1 2 236.359 3.006 20 0 BGADLO C[C@@H](N(C)c1ccc([C@H](C)O)c[nH+]1)C(C)(C)C ZINC000213264538 591457267 /nfs/dbraw/zinc/45/72/67/591457267.db2.gz PURLSODLOTYVLA-WDEREUQCSA-N 1 2 236.359 3.006 20 0 BGADLO CCC1(C)CCN(c2ccc([C@@H](C)O)c[nH+]2)CC1 ZINC000213273576 591458753 /nfs/dbraw/zinc/45/87/53/591458753.db2.gz ALJFEMRLKKMNMR-GFCCVEGCSA-N 1 2 248.370 3.151 20 0 BGADLO CCC1(C)CCN(c2ccc([C@H](C)O)c[nH+]2)CC1 ZINC000213274865 591458597 /nfs/dbraw/zinc/45/85/97/591458597.db2.gz ALJFEMRLKKMNMR-LBPRGKRZSA-N 1 2 248.370 3.151 20 0 BGADLO CCC1(CC)CCN(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000213286989 591460622 /nfs/dbraw/zinc/46/06/22/591460622.db2.gz UYLVQVOHXSYVEQ-GFCCVEGCSA-N 1 2 248.370 3.151 20 0 BGADLO CCC1(CC)CCN(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000213288168 591460048 /nfs/dbraw/zinc/46/00/48/591460048.db2.gz UYLVQVOHXSYVEQ-LBPRGKRZSA-N 1 2 248.370 3.151 20 0 BGADLO CC[C@@H](C)CN(CC)c1ccc([C@@H](C)O)c[nH+]1 ZINC000213294155 591460846 /nfs/dbraw/zinc/46/08/46/591460846.db2.gz OFOZWSZABBEMSJ-VXGBXAGGSA-N 1 2 236.359 3.007 20 0 BGADLO CC[C@H](C)CN(CC)c1ccc([C@@H](C)O)c[nH+]1 ZINC000213294217 591460270 /nfs/dbraw/zinc/46/02/70/591460270.db2.gz OFOZWSZABBEMSJ-NWDGAFQWSA-N 1 2 236.359 3.007 20 0 BGADLO C[C@@H](O)c1ccc(N2CCCC(C)(C)CC2)[nH+]c1 ZINC000213295011 591460090 /nfs/dbraw/zinc/46/00/90/591460090.db2.gz AAHHVKQJQDAEKG-GFCCVEGCSA-N 1 2 248.370 3.151 20 0 BGADLO CC[C@@H](C)CN(CC)c1ccc([C@H](C)O)c[nH+]1 ZINC000213295422 591460820 /nfs/dbraw/zinc/46/08/20/591460820.db2.gz OFOZWSZABBEMSJ-NEPJUHHUSA-N 1 2 236.359 3.007 20 0 BGADLO CC[C@H](C)CN(CC)c1ccc([C@H](C)O)c[nH+]1 ZINC000213295482 591460841 /nfs/dbraw/zinc/46/08/41/591460841.db2.gz OFOZWSZABBEMSJ-RYUDHWBXSA-N 1 2 236.359 3.007 20 0 BGADLO C[C@H](O)c1ccc(N2CCCC(C)(C)CC2)[nH+]c1 ZINC000213296369 591460605 /nfs/dbraw/zinc/46/06/05/591460605.db2.gz AAHHVKQJQDAEKG-LBPRGKRZSA-N 1 2 248.370 3.151 20 0 BGADLO CC[C@@H]1CCCN(c2ccc([C@@H](C)O)c[nH+]2)CC1 ZINC000213305505 591460338 /nfs/dbraw/zinc/46/03/38/591460338.db2.gz UTDQLWFIAMBOKW-CHWSQXEVSA-N 1 2 248.370 3.151 20 0 BGADLO CC[C@H]1CCCN(c2ccc([C@@H](C)O)c[nH+]2)CC1 ZINC000213305571 591460563 /nfs/dbraw/zinc/46/05/63/591460563.db2.gz UTDQLWFIAMBOKW-OLZOCXBDSA-N 1 2 248.370 3.151 20 0 BGADLO CC[C@@H]1CCCN(c2ccc([C@H](C)O)c[nH+]2)CC1 ZINC000213307535 591459899 /nfs/dbraw/zinc/45/98/99/591459899.db2.gz UTDQLWFIAMBOKW-QWHCGFSZSA-N 1 2 248.370 3.151 20 0 BGADLO CC[C@H]1CCCN(c2ccc([C@H](C)O)c[nH+]2)CC1 ZINC000213307597 591460360 /nfs/dbraw/zinc/46/03/60/591460360.db2.gz UTDQLWFIAMBOKW-STQMWFEESA-N 1 2 248.370 3.151 20 0 BGADLO COc1cc(C)[nH+]c(CNc2ccccc2)c1 ZINC000214055083 358753219 /nfs/dbraw/zinc/75/32/19/358753219.db2.gz RNOUTFXNENJZDM-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO COc1cc(C)[nH+]c(CNc2cccc(F)c2)c1 ZINC000214062701 358753205 /nfs/dbraw/zinc/75/32/05/358753205.db2.gz ACJQBTYRCUCTKB-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1cc(C)[nH+]c(CNc2ccccc2C)c1 ZINC000214101622 358759611 /nfs/dbraw/zinc/75/96/11/358759611.db2.gz JGGUKHDCMXSVHN-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1cc(C)[nH+]c(CNc2ccc(F)cc2)c1 ZINC000214108119 536695539 /nfs/dbraw/zinc/69/55/39/536695539.db2.gz STVCTVIMRSQJKX-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1cc(C)[nH+]c(CNc2cccc(C)c2)c1 ZINC000214135038 358759254 /nfs/dbraw/zinc/75/92/54/358759254.db2.gz DZGRZYPLFPFTQV-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1cc(C)[nH+]c(CNc2ccccc2F)c1 ZINC000214135359 358759860 /nfs/dbraw/zinc/75/98/60/358759860.db2.gz IZFYFOGVHQIMNJ-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1cc(C)[nH+]c(COc2ccccc2C)c1 ZINC000214340229 388566724 /nfs/dbraw/zinc/56/67/24/388566724.db2.gz ZUVHAJNNJFDHJV-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO COc1cc(C)[nH+]c(COc2cccc(C)c2)c1 ZINC000214347421 259333988 /nfs/dbraw/zinc/33/39/88/259333988.db2.gz XEICJQXZKIJGMI-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO CCOC(=O)CCC[N@@H+](CC)c1ccccc1C ZINC000216441880 355993840 /nfs/dbraw/zinc/99/38/40/355993840.db2.gz DBROSUVASLAHLC-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO CCOC(=O)CCC[N@H+](CC)c1ccccc1C ZINC000216441880 355993836 /nfs/dbraw/zinc/99/38/36/355993836.db2.gz DBROSUVASLAHLC-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO CCC[C@@H](C)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000217680336 371996901 /nfs/dbraw/zinc/99/69/01/371996901.db2.gz ZWZPWKGZIBGHAU-TZMCWYRMSA-N 1 2 249.354 3.069 20 0 BGADLO CCC[C@H](C)[NH2+][C@@H](C(=O)OCC)c1ccccc1 ZINC000217680426 371996850 /nfs/dbraw/zinc/99/68/50/371996850.db2.gz ZWZPWKGZIBGHAU-GXTWGEPZSA-N 1 2 249.354 3.069 20 0 BGADLO CCC[C@@H](C)[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000217680511 371996811 /nfs/dbraw/zinc/99/68/11/371996811.db2.gz ZWZPWKGZIBGHAU-OCCSQVGLSA-N 1 2 249.354 3.069 20 0 BGADLO CCC[C@H](C)[NH2+][C@H](C(=O)OCC)c1ccccc1 ZINC000217680602 371996975 /nfs/dbraw/zinc/99/69/75/371996975.db2.gz ZWZPWKGZIBGHAU-JSGCOSHPSA-N 1 2 249.354 3.069 20 0 BGADLO CCc1cc(NCC(C)(C)C(C)C)nc[nH+]1 ZINC000218909837 490548053 /nfs/dbraw/zinc/54/80/53/490548053.db2.gz KGBLPJWDBFGMFW-UHFFFAOYSA-N 1 2 221.348 3.133 20 0 BGADLO CS[C@@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000218956323 354183997 /nfs/dbraw/zinc/18/39/97/354183997.db2.gz KSXQYTGIDJFQRQ-GHMZBOCLSA-N 1 2 222.357 3.168 20 0 BGADLO Cc1c(Cl)cccc1C[NH2+]CC(F)F ZINC000219668860 592236720 /nfs/dbraw/zinc/23/67/20/592236720.db2.gz IXEQHNNLYISWEP-UHFFFAOYSA-N 1 2 219.662 3.003 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc3ccccc3[nH+]2)CCO1 ZINC000220070099 176380186 /nfs/dbraw/zinc/38/01/86/176380186.db2.gz BHVVWZWPLUEOFJ-YPMHNXCESA-N 1 2 242.322 3.214 20 0 BGADLO C[C@H]1C[C@@H](Nc2ccc3ccccc3[nH+]2)CCO1 ZINC000220070168 177335028 /nfs/dbraw/zinc/33/50/28/177335028.db2.gz BHVVWZWPLUEOFJ-AAEUAGOBSA-N 1 2 242.322 3.214 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc3ccccc3[nH+]2)CCO1 ZINC000220070238 385955028 /nfs/dbraw/zinc/95/50/28/385955028.db2.gz BHVVWZWPLUEOFJ-DGCLKSJQSA-N 1 2 242.322 3.214 20 0 BGADLO C[C@H]1C[C@H](Nc2ccc3ccccc3[nH+]2)CCO1 ZINC000220070310 177372708 /nfs/dbraw/zinc/37/27/08/177372708.db2.gz BHVVWZWPLUEOFJ-WCQYABFASA-N 1 2 242.322 3.214 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC000220877839 134316631 /nfs/dbraw/zinc/31/66/31/134316631.db2.gz BFAPVXRQYWXBNY-NWDGAFQWSA-N 1 2 230.311 3.395 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC000220877903 134316799 /nfs/dbraw/zinc/31/67/99/134316799.db2.gz BFAPVXRQYWXBNY-RYUDHWBXSA-N 1 2 230.311 3.395 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccccc2)o1 ZINC000220877954 134316470 /nfs/dbraw/zinc/31/64/70/134316470.db2.gz BFAPVXRQYWXBNY-VXGBXAGGSA-N 1 2 230.311 3.395 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccccc2)o1 ZINC000220878011 134316380 /nfs/dbraw/zinc/31/63/80/134316380.db2.gz BFAPVXRQYWXBNY-NEPJUHHUSA-N 1 2 230.311 3.395 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc[nH+]1 ZINC000221427451 134324320 /nfs/dbraw/zinc/32/43/20/134324320.db2.gz HPCFALOTAJNCKG-JFGNBEQYSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc[nH+]1 ZINC000221427549 134324278 /nfs/dbraw/zinc/32/42/78/134324278.db2.gz HPCFALOTAJNCKG-JBLDHEPKSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)nc[nH+]1 ZINC000221432543 134324560 /nfs/dbraw/zinc/32/45/60/134324560.db2.gz XFNWUMLTBASVQN-JFGNBEQYSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@H](C)[C@@H](C)C2)nc[nH+]1 ZINC000221432643 134324860 /nfs/dbraw/zinc/32/48/60/134324860.db2.gz XFNWUMLTBASVQN-JBLDHEPKSA-N 1 2 219.332 3.022 20 0 BGADLO c1cn(-c2ccccc2OC2CCCC2)c[nH+]1 ZINC000221740215 345747738 /nfs/dbraw/zinc/74/77/38/345747738.db2.gz MBDKJRJBYIFVJI-UHFFFAOYSA-N 1 2 228.295 3.194 20 0 BGADLO CC(C)c1ccccc1Cn1cc[nH+]c1 ZINC000221746377 640423235 /nfs/dbraw/zinc/42/32/35/640423235.db2.gz JRRXZNPLBDDQOE-UHFFFAOYSA-N 1 2 200.285 3.055 20 0 BGADLO CC(C)=CCOc1ccccc1-n1cc[nH+]c1 ZINC000221762940 490410909 /nfs/dbraw/zinc/41/09/09/490410909.db2.gz TZJXXDIMZYIALX-UHFFFAOYSA-N 1 2 228.295 3.217 20 0 BGADLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccco1 ZINC000223047296 584909125 /nfs/dbraw/zinc/90/91/25/584909125.db2.gz PGCHCRMWMCGWHS-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccco1 ZINC000223047369 592515752 /nfs/dbraw/zinc/51/57/52/592515752.db2.gz PGCHCRMWMCGWHS-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO Cc1ccc(NCc2cc(O)cc(F)c2)c(C)[nH+]1 ZINC000223140098 134336973 /nfs/dbraw/zinc/33/69/73/134336973.db2.gz CSZFRZFSAXWTDV-UHFFFAOYSA-N 1 2 246.285 3.155 20 0 BGADLO Clc1cccc(COc2cc[nH+]cc2)c1 ZINC000223392203 357401764 /nfs/dbraw/zinc/40/17/64/357401764.db2.gz SFWJUIDOLXTEJH-UHFFFAOYSA-N 1 2 219.671 3.314 20 0 BGADLO CCc1cnc(C[NH2+][C@@H](C)c2ccccc2)o1 ZINC000223574597 358225947 /nfs/dbraw/zinc/22/59/47/358225947.db2.gz JMTBJQYMGXOCRE-NSHDSACASA-N 1 2 230.311 3.088 20 0 BGADLO CCc1cnc(C[NH2+][C@H](C)c2ccccc2)o1 ZINC000223574654 322935870 /nfs/dbraw/zinc/93/58/70/322935870.db2.gz JMTBJQYMGXOCRE-LLVKDONJSA-N 1 2 230.311 3.088 20 0 BGADLO CCc1cnc(C[NH2+][C@H](C)c2ccccc2C)o1 ZINC000223597363 487783420 /nfs/dbraw/zinc/78/34/20/487783420.db2.gz SCWRDXPZCOPHRF-GFCCVEGCSA-N 1 2 244.338 3.396 20 0 BGADLO CCc1cnc(C[NH2+][C@@H](C)c2ccc(C)cc2)o1 ZINC000223624435 322951618 /nfs/dbraw/zinc/95/16/18/322951618.db2.gz KZUZPMUOTYXLOC-LBPRGKRZSA-N 1 2 244.338 3.396 20 0 BGADLO CCc1cnc(C[NH2+][C@H](C)c2ccc(C)cc2)o1 ZINC000223624456 487796395 /nfs/dbraw/zinc/79/63/95/487796395.db2.gz KZUZPMUOTYXLOC-GFCCVEGCSA-N 1 2 244.338 3.396 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc(O)c2)o1 ZINC000223712882 134339154 /nfs/dbraw/zinc/33/91/54/134339154.db2.gz ZJRWARBKCVCMNU-WDEREUQCSA-N 1 2 246.310 3.100 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cccc(O)c2)o1 ZINC000223712943 134339135 /nfs/dbraw/zinc/33/91/35/134339135.db2.gz ZJRWARBKCVCMNU-QWRGUYRKSA-N 1 2 246.310 3.100 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cccc(O)c2)o1 ZINC000223712995 134339236 /nfs/dbraw/zinc/33/92/36/134339236.db2.gz ZJRWARBKCVCMNU-GHMZBOCLSA-N 1 2 246.310 3.100 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cccc(O)c2)o1 ZINC000223713049 134339074 /nfs/dbraw/zinc/33/90/74/134339074.db2.gz ZJRWARBKCVCMNU-MNOVXSKESA-N 1 2 246.310 3.100 20 0 BGADLO CCOc1ccc([NH2+]C[C@@H]2CCSC2)cc1 ZINC000224275461 386132655 /nfs/dbraw/zinc/13/26/55/386132655.db2.gz FEQTWXMOACDOTL-NSHDSACASA-N 1 2 237.368 3.250 20 0 BGADLO CCOc1ccc([NH2+]C[C@H]2CCSC2)cc1 ZINC000224275511 386132332 /nfs/dbraw/zinc/13/23/32/386132332.db2.gz FEQTWXMOACDOTL-LLVKDONJSA-N 1 2 237.368 3.250 20 0 BGADLO CC(C)C[C@@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000224293842 187227971 /nfs/dbraw/zinc/22/79/71/187227971.db2.gz YQEFSMCATWEKKG-CYBMUJFWSA-N 1 2 244.338 3.054 20 0 BGADLO CC(C)C[C@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000224293894 187227742 /nfs/dbraw/zinc/22/77/42/187227742.db2.gz YQEFSMCATWEKKG-ZDUSSCGKSA-N 1 2 244.338 3.054 20 0 BGADLO COCCCCCNc1ccc2ccccc2[nH+]1 ZINC000224297824 174184412 /nfs/dbraw/zinc/18/44/12/174184412.db2.gz BVKHTVLSHUDWFP-UHFFFAOYSA-N 1 2 244.338 3.463 20 0 BGADLO COc1cc(C)ccc1[NH2+]C[C@@H]1CCSC1 ZINC000224389037 134346294 /nfs/dbraw/zinc/34/62/94/134346294.db2.gz HLYYGZLLKMBOEN-NSHDSACASA-N 1 2 237.368 3.169 20 0 BGADLO COc1cc(C)ccc1[NH2+]C[C@H]1CCSC1 ZINC000224389084 134346251 /nfs/dbraw/zinc/34/62/51/134346251.db2.gz HLYYGZLLKMBOEN-LLVKDONJSA-N 1 2 237.368 3.169 20 0 BGADLO COc1ccc([NH2+]C[C@@H]2CCSC2)c(C)c1 ZINC000224418810 175151711 /nfs/dbraw/zinc/15/17/11/175151711.db2.gz ABUMSZRDPOOYFA-NSHDSACASA-N 1 2 237.368 3.169 20 0 BGADLO COc1ccc([NH2+]C[C@H]2CCSC2)c(C)c1 ZINC000224418866 175151755 /nfs/dbraw/zinc/15/17/55/175151755.db2.gz ABUMSZRDPOOYFA-LLVKDONJSA-N 1 2 237.368 3.169 20 0 BGADLO CC1(CNc2ccc3ccccc3[nH+]2)CC1 ZINC000224427597 535159791 /nfs/dbraw/zinc/15/97/91/535159791.db2.gz NGOGYZJALFSQKJ-UHFFFAOYSA-N 1 2 212.296 3.447 20 0 BGADLO Cc1cc(NCC2(C)CC2)nc(C(C)C)[nH+]1 ZINC000224437029 134347322 /nfs/dbraw/zinc/34/73/22/134347322.db2.gz OLUMYJHBOPNFTH-UHFFFAOYSA-N 1 2 219.332 3.120 20 0 BGADLO OCCCCCCNc1ccc2ccccc2[nH+]1 ZINC000224476508 183043434 /nfs/dbraw/zinc/04/34/34/183043434.db2.gz SMKOHYOKYDQYAC-UHFFFAOYSA-N 1 2 244.338 3.199 20 0 BGADLO c1ccc2[nH+]c(NCCOCC3CC3)ccc2c1 ZINC000224506578 386141370 /nfs/dbraw/zinc/14/13/70/386141370.db2.gz PHBMIQKXMROVQG-UHFFFAOYSA-N 1 2 242.322 3.073 20 0 BGADLO CCc1ccc(C[NH2+][C@@H](C)C(F)F)s1 ZINC000225133533 487880472 /nfs/dbraw/zinc/88/04/72/487880472.db2.gz CBEPRIURIXFXEL-ZETCQYMHSA-N 1 2 219.300 3.054 20 0 BGADLO CCc1ccc(C[NH2+][C@H](C)C(F)F)s1 ZINC000225133575 487880284 /nfs/dbraw/zinc/88/02/84/487880284.db2.gz CBEPRIURIXFXEL-SSDOTTSWSA-N 1 2 219.300 3.054 20 0 BGADLO Cc1[nH+]cccc1NCc1ncc(Cl)s1 ZINC000225275205 134351931 /nfs/dbraw/zinc/35/19/31/134351931.db2.gz RPSYXABDRWAWHP-UHFFFAOYSA-N 1 2 239.731 3.112 20 0 BGADLO Cc1ccc(NCc2ncc(Cl)s2)c[nH+]1 ZINC000225275639 134352141 /nfs/dbraw/zinc/35/21/41/134352141.db2.gz KPKPXHIVFKMRSH-UHFFFAOYSA-N 1 2 239.731 3.112 20 0 BGADLO Cc1c[nH+]cc(NCc2ncc(Cl)s2)c1 ZINC000225275692 134351710 /nfs/dbraw/zinc/35/17/10/134351710.db2.gz OTRDIFPNPPGSAO-UHFFFAOYSA-N 1 2 239.731 3.112 20 0 BGADLO Cc1cc[nH+]cc1NCc1ncc(Cl)s1 ZINC000225279711 345138416 /nfs/dbraw/zinc/13/84/16/345138416.db2.gz PHUFSLAHWPRNJZ-UHFFFAOYSA-N 1 2 239.731 3.112 20 0 BGADLO Clc1cnc(C[NH2+]Cc2ccsc2)s1 ZINC000225313323 134354595 /nfs/dbraw/zinc/35/45/95/134354595.db2.gz XRKXBFWMWPCFDU-UHFFFAOYSA-N 1 2 244.772 3.148 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CCSC1 ZINC000225359524 518188038 /nfs/dbraw/zinc/18/80/38/518188038.db2.gz FREQKYNEDZVYFS-GFCCVEGCSA-N 1 2 244.363 3.461 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CCSC1 ZINC000225359558 324762593 /nfs/dbraw/zinc/76/25/93/324762593.db2.gz FREQKYNEDZVYFS-LBPRGKRZSA-N 1 2 244.363 3.461 20 0 BGADLO c1ccc(NCCCC2CCCC2)[nH+]c1 ZINC000225700216 183416612 /nfs/dbraw/zinc/41/66/12/183416612.db2.gz DJWODWXRXPCKAA-UHFFFAOYSA-N 1 2 204.317 3.464 20 0 BGADLO CCCC[C@@H](CC)CNc1cc(C)[nH+]cn1 ZINC000225717208 324200727 /nfs/dbraw/zinc/20/07/27/324200727.db2.gz IBYQTRFWGQQSIN-GFCCVEGCSA-N 1 2 221.348 3.413 20 0 BGADLO CCCC[C@H](CC)CNc1cc(C)[nH+]cn1 ZINC000225717236 324200643 /nfs/dbraw/zinc/20/06/43/324200643.db2.gz IBYQTRFWGQQSIN-LBPRGKRZSA-N 1 2 221.348 3.413 20 0 BGADLO Cc1cc(NCCCC2CCCC2)nc[nH+]1 ZINC000225717475 178158145 /nfs/dbraw/zinc/15/81/45/178158145.db2.gz NLNKGOQCEFQQBG-UHFFFAOYSA-N 1 2 219.332 3.167 20 0 BGADLO CCc1ccc(CNc2cc(C)[nH+]cn2)s1 ZINC000225726412 384886072 /nfs/dbraw/zinc/88/60/72/384886072.db2.gz CQUIMHGLVVIFOI-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO Cc1cc(NC[C@@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000225729009 178166327 /nfs/dbraw/zinc/16/63/27/178166327.db2.gz MQNKHOWFFNHJQF-ZYHUDNBSSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1cc(NC[C@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000225729038 178169815 /nfs/dbraw/zinc/16/98/15/178169815.db2.gz MQNKHOWFFNHJQF-PWSUYJOCSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1cc(NC[C@@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000225729067 178166839 /nfs/dbraw/zinc/16/68/39/178166839.db2.gz MQNKHOWFFNHJQF-CMPLNLGQSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1cc(NC[C@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000225729096 178170116 /nfs/dbraw/zinc/17/01/16/178170116.db2.gz MQNKHOWFFNHJQF-JQWIXIFHSA-N 1 2 219.332 3.023 20 0 BGADLO Clc1ccc(CCNc2cccc[nH+]2)s1 ZINC000225733412 388685226 /nfs/dbraw/zinc/68/52/26/388685226.db2.gz IRZFAERSQYOSFP-UHFFFAOYSA-N 1 2 238.743 3.451 20 0 BGADLO CC1(CNc2[nH]c3cc(F)ccc3[nH+]2)CCC1 ZINC000225819952 535158934 /nfs/dbraw/zinc/15/89/34/535158934.db2.gz LKIDMTSKAJAYSE-UHFFFAOYSA-N 1 2 233.290 3.304 20 0 BGADLO COc1ccc(N[C@@H](C)CCc2ccco2)[nH+]c1 ZINC000225833355 566330249 /nfs/dbraw/zinc/33/02/49/566330249.db2.gz FWYVLMIVSPDPLW-NSHDSACASA-N 1 2 246.310 3.116 20 0 BGADLO COc1ccc(N[C@H](C)CCc2ccco2)[nH+]c1 ZINC000225833373 566330039 /nfs/dbraw/zinc/33/00/39/566330039.db2.gz FWYVLMIVSPDPLW-LLVKDONJSA-N 1 2 246.310 3.116 20 0 BGADLO COc1ccc(N[C@@H](C)Cc2ccsc2)[nH+]c1 ZINC000225833599 538114242 /nfs/dbraw/zinc/11/42/42/538114242.db2.gz GIILWPUAXJAEIP-JTQLQIEISA-N 1 2 248.351 3.195 20 0 BGADLO COc1ccc(N[C@H](C)Cc2ccsc2)[nH+]c1 ZINC000225833616 538114257 /nfs/dbraw/zinc/11/42/57/538114257.db2.gz GIILWPUAXJAEIP-SNVBAGLBSA-N 1 2 248.351 3.195 20 0 BGADLO COc1ccc(N[C@@H]2CCCC2(C)C)[nH+]c1 ZINC000225833647 538114146 /nfs/dbraw/zinc/11/41/46/538114146.db2.gz ZOSRDNRFBRBXKR-LLVKDONJSA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@H]2CCCC2(C)C)[nH+]c1 ZINC000225833666 491096867 /nfs/dbraw/zinc/09/68/67/491096867.db2.gz ZOSRDNRFBRBXKR-NSHDSACASA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@@H](C)c2ccc(F)cc2)[nH+]c1 ZINC000225833872 491096973 /nfs/dbraw/zinc/09/69/73/491096973.db2.gz VJLMEEPGFKDKBJ-JTQLQIEISA-N 1 2 246.285 3.402 20 0 BGADLO COc1ccc(N[C@H](C)c2ccc(F)cc2)[nH+]c1 ZINC000225833901 491096958 /nfs/dbraw/zinc/09/69/58/491096958.db2.gz VJLMEEPGFKDKBJ-SNVBAGLBSA-N 1 2 246.285 3.402 20 0 BGADLO CCC[C@@H](CC)Nc1ccc(OC)c[nH+]1 ZINC000225834253 491084497 /nfs/dbraw/zinc/08/44/97/491084497.db2.gz CSQPJVKTRHLMPH-SNVBAGLBSA-N 1 2 208.305 3.081 20 0 BGADLO CCC[C@H](CC)Nc1ccc(OC)c[nH+]1 ZINC000225834270 538114155 /nfs/dbraw/zinc/11/41/55/538114155.db2.gz CSQPJVKTRHLMPH-JTQLQIEISA-N 1 2 208.305 3.081 20 0 BGADLO COc1ccc(N[C@@H](C)c2ccccc2F)[nH+]c1 ZINC000225834729 538114248 /nfs/dbraw/zinc/11/42/48/538114248.db2.gz OTSHVAJKAZNQSF-JTQLQIEISA-N 1 2 246.285 3.402 20 0 BGADLO COc1ccc(N[C@H](C)c2ccccc2F)[nH+]c1 ZINC000225834743 538114212 /nfs/dbraw/zinc/11/42/12/538114212.db2.gz OTSHVAJKAZNQSF-SNVBAGLBSA-N 1 2 246.285 3.402 20 0 BGADLO COc1ccc(N[C@@H](C)Cc2cccs2)[nH+]c1 ZINC000225834768 538114202 /nfs/dbraw/zinc/11/42/02/538114202.db2.gz LLCLSDVRPZJDMR-JTQLQIEISA-N 1 2 248.351 3.195 20 0 BGADLO COc1ccc(N[C@H](C)Cc2cccs2)[nH+]c1 ZINC000225834789 538114237 /nfs/dbraw/zinc/11/42/37/538114237.db2.gz LLCLSDVRPZJDMR-SNVBAGLBSA-N 1 2 248.351 3.195 20 0 BGADLO COc1ccc(N[C@@H](C)C2CCCC2)[nH+]c1 ZINC000225834915 538114260 /nfs/dbraw/zinc/11/42/60/538114260.db2.gz LRSNZUDFDQNTOH-JTQLQIEISA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@H](C)C2CCCC2)[nH+]c1 ZINC000225834941 538114168 /nfs/dbraw/zinc/11/41/68/538114168.db2.gz LRSNZUDFDQNTOH-SNVBAGLBSA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@@H](C)CCC(C)C)[nH+]c1 ZINC000225835010 538114240 /nfs/dbraw/zinc/11/42/40/538114240.db2.gz GXPRCPCKDKTFHX-NSHDSACASA-N 1 2 222.332 3.327 20 0 BGADLO COc1ccc(N[C@H](C)CCC(C)C)[nH+]c1 ZINC000225835031 538114157 /nfs/dbraw/zinc/11/41/57/538114157.db2.gz GXPRCPCKDKTFHX-LLVKDONJSA-N 1 2 222.332 3.327 20 0 BGADLO COc1ccc(N[C@@H](C)c2cccc(F)c2)[nH+]c1 ZINC000225835255 538114221 /nfs/dbraw/zinc/11/42/21/538114221.db2.gz JXFDUSDCIGQTRD-JTQLQIEISA-N 1 2 246.285 3.402 20 0 BGADLO COc1ccc(N[C@H](C)c2cccc(F)c2)[nH+]c1 ZINC000225835276 538114269 /nfs/dbraw/zinc/11/42/69/538114269.db2.gz JXFDUSDCIGQTRD-SNVBAGLBSA-N 1 2 246.285 3.402 20 0 BGADLO COc1ccc(N[C@@H](C)c2ccsc2)[nH+]c1 ZINC000225835826 538114355 /nfs/dbraw/zinc/11/43/55/538114355.db2.gz ZUCKWICCEOCSKC-VIFPVBQESA-N 1 2 234.324 3.325 20 0 BGADLO COc1ccc(N[C@H](C)c2ccsc2)[nH+]c1 ZINC000225835842 538114339 /nfs/dbraw/zinc/11/43/39/538114339.db2.gz ZUCKWICCEOCSKC-SECBINFHSA-N 1 2 234.324 3.325 20 0 BGADLO CCCC[C@@H](C)Nc1ccc(OC)c[nH+]1 ZINC000225836068 538114330 /nfs/dbraw/zinc/11/43/30/538114330.db2.gz STGJCBHJHUVUJF-SNVBAGLBSA-N 1 2 208.305 3.081 20 0 BGADLO CCCC[C@H](C)Nc1ccc(OC)c[nH+]1 ZINC000225836089 538114292 /nfs/dbraw/zinc/11/42/92/538114292.db2.gz STGJCBHJHUVUJF-JTQLQIEISA-N 1 2 208.305 3.081 20 0 BGADLO COc1ccc(N[C@@H](C)c2ccccc2)[nH+]c1 ZINC000225836374 491096970 /nfs/dbraw/zinc/09/69/70/491096970.db2.gz HYZMIOMAWQKXMK-NSHDSACASA-N 1 2 228.295 3.263 20 0 BGADLO COc1ccc(N[C@H](C)c2ccccc2)[nH+]c1 ZINC000225836395 538114296 /nfs/dbraw/zinc/11/42/96/538114296.db2.gz HYZMIOMAWQKXMK-LLVKDONJSA-N 1 2 228.295 3.263 20 0 BGADLO COc1ccc(N[C@@H](C)c2ccc(C)o2)[nH+]c1 ZINC000225836457 538114341 /nfs/dbraw/zinc/11/43/41/538114341.db2.gz LSXJRRGPEFJKGB-JTQLQIEISA-N 1 2 232.283 3.165 20 0 BGADLO COc1ccc(N[C@H](C)c2ccc(C)o2)[nH+]c1 ZINC000225836477 538114322 /nfs/dbraw/zinc/11/43/22/538114322.db2.gz LSXJRRGPEFJKGB-SNVBAGLBSA-N 1 2 232.283 3.165 20 0 BGADLO COc1ccc(N[C@@H](C)c2cccs2)[nH+]c1 ZINC000225836502 538114326 /nfs/dbraw/zinc/11/43/26/538114326.db2.gz JQPVZMFROFUFTN-VIFPVBQESA-N 1 2 234.324 3.325 20 0 BGADLO COc1ccc(N[C@H](C)c2cccs2)[nH+]c1 ZINC000225836526 538114302 /nfs/dbraw/zinc/11/43/02/538114302.db2.gz JQPVZMFROFUFTN-SECBINFHSA-N 1 2 234.324 3.325 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000225852282 350376479 /nfs/dbraw/zinc/37/64/79/350376479.db2.gz AKLHCKUPVCLTLS-TZMCWYRMSA-N 1 2 234.343 3.006 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCO[C@@H](C(C)C)C2)c1 ZINC000225852298 134356176 /nfs/dbraw/zinc/35/61/76/134356176.db2.gz AKLHCKUPVCLTLS-GXTWGEPZSA-N 1 2 234.343 3.006 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCO[C@H](C(C)C)C2)c1 ZINC000225852317 134356294 /nfs/dbraw/zinc/35/62/94/134356294.db2.gz AKLHCKUPVCLTLS-OCCSQVGLSA-N 1 2 234.343 3.006 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCO[C@H](C(C)C)C2)c1 ZINC000225852332 134356088 /nfs/dbraw/zinc/35/60/88/134356088.db2.gz AKLHCKUPVCLTLS-JSGCOSHPSA-N 1 2 234.343 3.006 20 0 BGADLO CCOc1ccc([NH2+]CCCCCCO)cc1 ZINC000225886256 386225445 /nfs/dbraw/zinc/22/54/45/386225445.db2.gz GFLJIWDPOIKDHG-UHFFFAOYSA-N 1 2 237.343 3.050 20 0 BGADLO CCc1ccc(CNc2ccc(OC)c[nH+]2)s1 ZINC000225893761 538114594 /nfs/dbraw/zinc/11/45/94/538114594.db2.gz PRGGHOGSSUHVSY-UHFFFAOYSA-N 1 2 248.351 3.326 20 0 BGADLO COc1ccc(N[C@@H]2CCC[C@@H](C)C2)[nH+]c1 ZINC000225893916 491097068 /nfs/dbraw/zinc/09/70/68/491097068.db2.gz RQYQQCQADCWNBT-GHMZBOCLSA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@H]2CCC[C@@H](C)C2)[nH+]c1 ZINC000225893933 538114633 /nfs/dbraw/zinc/11/46/33/538114633.db2.gz RQYQQCQADCWNBT-MNOVXSKESA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@@H]2CCC[C@H](C)C2)[nH+]c1 ZINC000225893950 491097060 /nfs/dbraw/zinc/09/70/60/491097060.db2.gz RQYQQCQADCWNBT-WDEREUQCSA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@H]2CCC[C@H](C)C2)[nH+]c1 ZINC000225893966 491097064 /nfs/dbraw/zinc/09/70/64/491097064.db2.gz RQYQQCQADCWNBT-QWRGUYRKSA-N 1 2 220.316 3.081 20 0 BGADLO CCc1ccc(CNc2ccc(OC)c[nH+]2)cc1 ZINC000225894343 538114513 /nfs/dbraw/zinc/11/45/13/538114513.db2.gz BZPJYOBBOMXASC-UHFFFAOYSA-N 1 2 242.322 3.265 20 0 BGADLO COc1ccc(NCc2sccc2C)[nH+]c1 ZINC000225894410 538114574 /nfs/dbraw/zinc/11/45/74/538114574.db2.gz BVJPKBLCCVIWAC-UHFFFAOYSA-N 1 2 234.324 3.072 20 0 BGADLO COc1ccc(NCc2cccc(C)c2)[nH+]c1 ZINC000225894585 491097062 /nfs/dbraw/zinc/09/70/62/491097062.db2.gz KVTSONRKFJKKCK-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO COc1ccc(NCc2ccc(C)s2)[nH+]c1 ZINC000225895363 538114546 /nfs/dbraw/zinc/11/45/46/538114546.db2.gz WQJKQHFDNKZEIG-UHFFFAOYSA-N 1 2 234.324 3.072 20 0 BGADLO CCS[C@@H]1CCC[C@@H]1Nc1cccc[nH+]1 ZINC000226125916 388705877 /nfs/dbraw/zinc/70/58/77/388705877.db2.gz FNOZUFBTJPUGSA-WDEREUQCSA-N 1 2 222.357 3.168 20 0 BGADLO CCS[C@H]1CCC[C@@H]1Nc1cccc[nH+]1 ZINC000226125925 388705175 /nfs/dbraw/zinc/70/51/75/388705175.db2.gz FNOZUFBTJPUGSA-QWRGUYRKSA-N 1 2 222.357 3.168 20 0 BGADLO CCS[C@@H]1CCC[C@H]1Nc1cccc[nH+]1 ZINC000226125933 388705082 /nfs/dbraw/zinc/70/50/82/388705082.db2.gz FNOZUFBTJPUGSA-GHMZBOCLSA-N 1 2 222.357 3.168 20 0 BGADLO CCS[C@H]1CCC[C@H]1Nc1cccc[nH+]1 ZINC000226125942 388705841 /nfs/dbraw/zinc/70/58/41/388705841.db2.gz FNOZUFBTJPUGSA-MNOVXSKESA-N 1 2 222.357 3.168 20 0 BGADLO C[C@@H]1CC[C@@H](Nc2cccc[nH+]2)[C@@H](C)C1 ZINC000226187939 177357135 /nfs/dbraw/zinc/35/71/35/177357135.db2.gz HOCWXDZLAWWHJD-GRYCIOLGSA-N 1 2 204.317 3.318 20 0 BGADLO C[C@@H]1CC[C@H](Nc2cccc[nH+]2)[C@@H](C)C1 ZINC000226187953 177356762 /nfs/dbraw/zinc/35/67/62/177356762.db2.gz HOCWXDZLAWWHJD-WOPDTQHZSA-N 1 2 204.317 3.318 20 0 BGADLO CCC[C@@](C)(O)CNc1ccc2ccccc2[nH+]1 ZINC000226234010 134361963 /nfs/dbraw/zinc/36/19/63/134361963.db2.gz KBADZEVQIZXUPU-OAHLLOKOSA-N 1 2 244.338 3.198 20 0 BGADLO CCC[C@](C)(O)CNc1ccc2ccccc2[nH+]1 ZINC000226234019 134362034 /nfs/dbraw/zinc/36/20/34/134362034.db2.gz KBADZEVQIZXUPU-HNNXBMFYSA-N 1 2 244.338 3.198 20 0 BGADLO Cc1c[nH+]cc(NCc2cc(F)ccc2C)c1 ZINC000226434117 134362891 /nfs/dbraw/zinc/36/28/91/134362891.db2.gz LVBCWXAFIRQDAE-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO Cc1ccc(F)cc1CNc1ccc[nH+]c1C ZINC000226514067 134364185 /nfs/dbraw/zinc/36/41/85/134364185.db2.gz JBJWHKQLKKVPGK-UHFFFAOYSA-N 1 2 230.286 3.450 20 0 BGADLO CCc1cc(NCCCC2CCCC2)nc[nH+]1 ZINC000226528671 369095235 /nfs/dbraw/zinc/09/52/35/369095235.db2.gz GPZIZDWRTGGHAC-UHFFFAOYSA-N 1 2 233.359 3.421 20 0 BGADLO CCc1ccc(CNc2cc(CC)[nH+]cn2)s1 ZINC000226528957 371688438 /nfs/dbraw/zinc/68/84/38/371688438.db2.gz CQXSBVMGNCERTR-UHFFFAOYSA-N 1 2 247.367 3.275 20 0 BGADLO CCc1cc(NC[C@@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000226529402 369101024 /nfs/dbraw/zinc/10/10/24/369101024.db2.gz ZUFIXHAAIRJJMU-VXGBXAGGSA-N 1 2 233.359 3.277 20 0 BGADLO CCc1cc(NC[C@H]2CCC[C@@H](C)C2)nc[nH+]1 ZINC000226529407 369100791 /nfs/dbraw/zinc/10/07/91/369100791.db2.gz ZUFIXHAAIRJJMU-NEPJUHHUSA-N 1 2 233.359 3.277 20 0 BGADLO CCc1cc(NC[C@@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000226529412 369100328 /nfs/dbraw/zinc/10/03/28/369100328.db2.gz ZUFIXHAAIRJJMU-NWDGAFQWSA-N 1 2 233.359 3.277 20 0 BGADLO CCc1cc(NC[C@H]2CCC[C@H](C)C2)nc[nH+]1 ZINC000226529415 369101146 /nfs/dbraw/zinc/10/11/46/369101146.db2.gz ZUFIXHAAIRJJMU-RYUDHWBXSA-N 1 2 233.359 3.277 20 0 BGADLO FC(F)(F)c1cc[nH+]c(N[C@@H]2CCSC2)c1 ZINC000226804067 134370025 /nfs/dbraw/zinc/37/00/25/134370025.db2.gz PJBZBKCLYUTQBG-MRVPVSSYSA-N 1 2 248.273 3.018 20 0 BGADLO FC(F)(F)c1cc[nH+]c(N[C@H]2CCSC2)c1 ZINC000226804073 134369849 /nfs/dbraw/zinc/36/98/49/134369849.db2.gz PJBZBKCLYUTQBG-QMMMGPOBSA-N 1 2 248.273 3.018 20 0 BGADLO CC1(CNc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000226805546 134369793 /nfs/dbraw/zinc/36/97/93/134369793.db2.gz OMCMJZUOGXVSLS-UHFFFAOYSA-N 1 2 230.233 3.312 20 0 BGADLO Cc1ccc(N[C@@H]2CCc3cccnc32)c(C)[nH+]1 ZINC000226824535 640796507 /nfs/dbraw/zinc/79/65/07/640796507.db2.gz FQEQGSIMJBPXCJ-CQSZACIVSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1ccc(N[C@H]2CCc3cccnc32)c(C)[nH+]1 ZINC000226824543 640795461 /nfs/dbraw/zinc/79/54/61/640795461.db2.gz FQEQGSIMJBPXCJ-AWEZNQCLSA-N 1 2 239.322 3.193 20 0 BGADLO COc1ccc(NCc2ccc(Cl)cc2)[nH+]c1 ZINC000226949000 371759514 /nfs/dbraw/zinc/75/95/14/371759514.db2.gz IEDJPIRSWVNION-UHFFFAOYSA-N 1 2 248.713 3.356 20 0 BGADLO COc1ccc(NCC2CCCCC2)[nH+]c1 ZINC000226949123 371760147 /nfs/dbraw/zinc/76/01/47/371760147.db2.gz QRQIAMHHMZFNED-UHFFFAOYSA-N 1 2 220.316 3.082 20 0 BGADLO COc1ccc(NCc2ccccc2Cl)[nH+]c1 ZINC000226949148 349434301 /nfs/dbraw/zinc/43/43/01/349434301.db2.gz KADUEUFMODGWEY-UHFFFAOYSA-N 1 2 248.713 3.356 20 0 BGADLO COc1ccc(NCc2cccc(Cl)c2)[nH+]c1 ZINC000226949158 349434412 /nfs/dbraw/zinc/43/44/12/349434412.db2.gz JOIFVMOABIQRFC-UHFFFAOYSA-N 1 2 248.713 3.356 20 0 BGADLO COc1ccc(NC2CCCCCC2)[nH+]c1 ZINC000226949267 349434237 /nfs/dbraw/zinc/43/42/37/349434237.db2.gz WCNXIRVPSWKFBW-UHFFFAOYSA-N 1 2 220.316 3.225 20 0 BGADLO COc1ccc(N[C@@H]2CCCC[C@@H]2C)[nH+]c1 ZINC000226949386 371760195 /nfs/dbraw/zinc/76/01/95/371760195.db2.gz VRYYQCMPUDMHIM-CMPLNLGQSA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@H]2CCCC[C@@H]2C)[nH+]c1 ZINC000226949393 371758978 /nfs/dbraw/zinc/75/89/78/371758978.db2.gz VRYYQCMPUDMHIM-JQWIXIFHSA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@@H]2CCCC[C@H]2C)[nH+]c1 ZINC000226949399 371759612 /nfs/dbraw/zinc/75/96/12/371759612.db2.gz VRYYQCMPUDMHIM-ZYHUDNBSSA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@H]2CCCC[C@H]2C)[nH+]c1 ZINC000226949405 371758956 /nfs/dbraw/zinc/75/89/56/371758956.db2.gz VRYYQCMPUDMHIM-PWSUYJOCSA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(NC2CCC(C)CC2)[nH+]c1 ZINC000226949460 371760019 /nfs/dbraw/zinc/76/00/19/371760019.db2.gz ZWZFVBNDHAWIPX-UHFFFAOYSA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(NCc2ccccc2C)[nH+]c1 ZINC000226949655 371759537 /nfs/dbraw/zinc/75/95/37/371759537.db2.gz YZTWCOJCHYIHKF-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO COc1ccc(N[C@@H](C)c2cc(C)oc2C)[nH+]c1 ZINC000226950003 371758794 /nfs/dbraw/zinc/75/87/94/371758794.db2.gz YINSPIXTAAKUEC-JTQLQIEISA-N 1 2 246.310 3.473 20 0 BGADLO COc1ccc(N[C@H](C)c2cc(C)oc2C)[nH+]c1 ZINC000226950006 371759024 /nfs/dbraw/zinc/75/90/24/371759024.db2.gz YINSPIXTAAKUEC-SNVBAGLBSA-N 1 2 246.310 3.473 20 0 BGADLO CC[C@@H]1C[C@@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000227014456 171122678 /nfs/dbraw/zinc/12/26/78/171122678.db2.gz FTRJKUXHYBBBDW-MNOVXSKESA-N 1 2 219.332 3.119 20 0 BGADLO CC[C@H]1C[C@@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000227014460 385082353 /nfs/dbraw/zinc/08/23/53/385082353.db2.gz FTRJKUXHYBBBDW-QWRGUYRKSA-N 1 2 219.332 3.119 20 0 BGADLO CC[C@@H]1C[C@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000227014467 171142379 /nfs/dbraw/zinc/14/23/79/171142379.db2.gz FTRJKUXHYBBBDW-GHMZBOCLSA-N 1 2 219.332 3.119 20 0 BGADLO CC[C@H]1C[C@H]1Nc1cc(C)[nH+]c(C(C)C)n1 ZINC000227014472 385081538 /nfs/dbraw/zinc/08/15/38/385081538.db2.gz FTRJKUXHYBBBDW-WDEREUQCSA-N 1 2 219.332 3.119 20 0 BGADLO CC[N@@H+](CCCCCCO)c1ccc(C)cc1 ZINC000227080228 635446486 /nfs/dbraw/zinc/44/64/86/635446486.db2.gz BFWNZKQASRLHLS-UHFFFAOYSA-N 1 2 235.371 3.374 20 0 BGADLO CC[N@H+](CCCCCCO)c1ccc(C)cc1 ZINC000227080228 635446478 /nfs/dbraw/zinc/44/64/78/635446478.db2.gz BFWNZKQASRLHLS-UHFFFAOYSA-N 1 2 235.371 3.374 20 0 BGADLO Cc1cnc(C[NH2+]Cc2cc3ccccc3o2)o1 ZINC000227084181 491054846 /nfs/dbraw/zinc/05/48/46/491054846.db2.gz JGPSKXZQPJIORN-UHFFFAOYSA-N 1 2 242.278 3.019 20 0 BGADLO Cc1cc(N[C@@H]2CCC[C@@H](C)[C@H]2C)nc[nH+]1 ZINC000227101675 188155630 /nfs/dbraw/zinc/15/56/30/188155630.db2.gz MIGKPCZOIIXPDH-YUSALJHKSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(N[C@@H]2CCC[C@H](C)[C@H]2C)nc[nH+]1 ZINC000227101683 385089085 /nfs/dbraw/zinc/08/90/85/385089085.db2.gz MIGKPCZOIIXPDH-MVWJERBFSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(N[C@@H]2CCC[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000227124104 134373173 /nfs/dbraw/zinc/37/31/73/134373173.db2.gz KVBXXWLGDSVOEX-CKYFFXLPSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(N[C@@H]2CCC[C@H](C)[C@H]2C)cc[nH+]1 ZINC000227124109 134373315 /nfs/dbraw/zinc/37/33/15/134373315.db2.gz KVBXXWLGDSVOEX-HOSYDEDBSA-N 1 2 219.332 3.022 20 0 BGADLO COC1(CNc2ccc3ccccc3[nH+]2)CCC1 ZINC000227304540 174005864 /nfs/dbraw/zinc/00/58/64/174005864.db2.gz DPPPKCDITOOBDY-UHFFFAOYSA-N 1 2 242.322 3.216 20 0 BGADLO CS[C@@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000227359461 388748741 /nfs/dbraw/zinc/74/87/41/388748741.db2.gz XURZIIXZSWGLMN-GHMZBOCLSA-N 1 2 222.357 3.168 20 0 BGADLO CS[C@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000227359468 388748962 /nfs/dbraw/zinc/74/89/62/388748962.db2.gz XURZIIXZSWGLMN-MNOVXSKESA-N 1 2 222.357 3.168 20 0 BGADLO CS[C@@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000227359477 388749190 /nfs/dbraw/zinc/74/91/90/388749190.db2.gz XURZIIXZSWGLMN-WDEREUQCSA-N 1 2 222.357 3.168 20 0 BGADLO CS[C@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000227359486 388749008 /nfs/dbraw/zinc/74/90/08/388749008.db2.gz XURZIIXZSWGLMN-QWRGUYRKSA-N 1 2 222.357 3.168 20 0 BGADLO C[C@@H]1CCC[C@@H](Nc2cccc[nH+]2)CC1 ZINC000227538489 176124482 /nfs/dbraw/zinc/12/44/82/176124482.db2.gz XIDXTYDKVOIVPB-VXGBXAGGSA-N 1 2 204.317 3.462 20 0 BGADLO C[C@H]1CCC[C@@H](Nc2cccc[nH+]2)CC1 ZINC000227538496 388752510 /nfs/dbraw/zinc/75/25/10/388752510.db2.gz XIDXTYDKVOIVPB-NWDGAFQWSA-N 1 2 204.317 3.462 20 0 BGADLO C[C@@H]1CCC[C@H](Nc2cccc[nH+]2)CC1 ZINC000227538503 176145361 /nfs/dbraw/zinc/14/53/61/176145361.db2.gz XIDXTYDKVOIVPB-NEPJUHHUSA-N 1 2 204.317 3.462 20 0 BGADLO C[C@H]1CCC[C@H](Nc2cccc[nH+]2)CC1 ZINC000227538509 177138391 /nfs/dbraw/zinc/13/83/91/177138391.db2.gz XIDXTYDKVOIVPB-RYUDHWBXSA-N 1 2 204.317 3.462 20 0 BGADLO Cc1nc(N[C@@H]2CCC[C@@H](C)CC2)cc[nH+]1 ZINC000227539338 180202317 /nfs/dbraw/zinc/20/23/17/180202317.db2.gz QQSSVWIRWXWJQO-ZYHUDNBSSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1nc(N[C@H]2CCC[C@@H](C)CC2)cc[nH+]1 ZINC000227539343 180204687 /nfs/dbraw/zinc/20/46/87/180204687.db2.gz QQSSVWIRWXWJQO-PWSUYJOCSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1nc(N[C@@H]2CCC[C@H](C)CC2)cc[nH+]1 ZINC000227539349 180202693 /nfs/dbraw/zinc/20/26/93/180202693.db2.gz QQSSVWIRWXWJQO-CMPLNLGQSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1nc(N[C@H]2CCC[C@H](C)CC2)cc[nH+]1 ZINC000227539355 180205216 /nfs/dbraw/zinc/20/52/16/180205216.db2.gz QQSSVWIRWXWJQO-JQWIXIFHSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1cc(N[C@@H]2CCC[C@@H](C)CC2)nc[nH+]1 ZINC000227539920 188331040 /nfs/dbraw/zinc/33/10/40/188331040.db2.gz WFVRYRQIGYOSPE-ZYHUDNBSSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1cc(N[C@H]2CCC[C@@H](C)CC2)nc[nH+]1 ZINC000227539925 178188843 /nfs/dbraw/zinc/18/88/43/178188843.db2.gz WFVRYRQIGYOSPE-PWSUYJOCSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1cc(N[C@@H]2CCC[C@H](C)CC2)nc[nH+]1 ZINC000227539930 398340409 /nfs/dbraw/zinc/34/04/09/398340409.db2.gz WFVRYRQIGYOSPE-CMPLNLGQSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1cc(N[C@H]2CCC[C@H](C)CC2)nc[nH+]1 ZINC000227539936 178188817 /nfs/dbraw/zinc/18/88/17/178188817.db2.gz WFVRYRQIGYOSPE-JQWIXIFHSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1[nH+]cccc1NCc1cccc2cc[nH]c21 ZINC000227599515 134386759 /nfs/dbraw/zinc/38/67/59/134386759.db2.gz ZBASWZHTXBEJLK-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO Cc1ccc(NCc2cnn(C(C)C)c2)c(C)[nH+]1 ZINC000227600871 386496500 /nfs/dbraw/zinc/49/65/00/386496500.db2.gz HOUOYTFEKPCYNN-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO Cc1c[nH+]cc(NCc2cccc3cc[nH]c32)c1 ZINC000227602915 134388095 /nfs/dbraw/zinc/38/80/95/134388095.db2.gz MLMLXOSJVINSAV-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO COc1ccc(CNc2c[nH+]cc(C)c2)cc1 ZINC000227603131 134388065 /nfs/dbraw/zinc/38/80/65/134388065.db2.gz XEPLMVDNGKPRQN-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO COCc1cccc(CNc2c[nH+]cc(C)c2)c1 ZINC000227603208 386495116 /nfs/dbraw/zinc/49/51/16/386495116.db2.gz NHBGUSRRYDLEMK-UHFFFAOYSA-N 1 2 242.322 3.149 20 0 BGADLO COc1ccc(CNc2c[nH+]cc(C)c2)cc1C ZINC000227603276 490156032 /nfs/dbraw/zinc/15/60/32/490156032.db2.gz LYQBDURVPNGJNU-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO CCc1cc(NCC2(CC)CCC2)nc[nH+]1 ZINC000227777310 491065369 /nfs/dbraw/zinc/06/53/69/491065369.db2.gz OEKFXIWEMDXOIF-UHFFFAOYSA-N 1 2 219.332 3.031 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NCCC[C@@H](C)O ZINC000227995309 358367601 /nfs/dbraw/zinc/36/76/01/358367601.db2.gz OOQBMSDBBWNGAV-GFCCVEGCSA-N 1 2 244.338 3.116 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NCCC[C@H](C)O ZINC000227995326 358367548 /nfs/dbraw/zinc/36/75/48/358367548.db2.gz OOQBMSDBBWNGAV-LBPRGKRZSA-N 1 2 244.338 3.116 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@@H](C)C[C@@H](C)O ZINC000228133357 358369170 /nfs/dbraw/zinc/36/91/70/358369170.db2.gz PBLZLQCVDIXLRR-NWDGAFQWSA-N 1 2 244.338 3.115 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@H](C)C[C@@H](C)O ZINC000228133370 358369328 /nfs/dbraw/zinc/36/93/28/358369328.db2.gz PBLZLQCVDIXLRR-VXGBXAGGSA-N 1 2 244.338 3.115 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@@H](C)C[C@H](C)O ZINC000228133380 358369384 /nfs/dbraw/zinc/36/93/84/358369384.db2.gz PBLZLQCVDIXLRR-RYUDHWBXSA-N 1 2 244.338 3.115 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@H](C)C[C@H](C)O ZINC000228133385 358369356 /nfs/dbraw/zinc/36/93/56/358369356.db2.gz PBLZLQCVDIXLRR-NEPJUHHUSA-N 1 2 244.338 3.115 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc(F)cc1 ZINC000228482347 487656890 /nfs/dbraw/zinc/65/68/90/487656890.db2.gz YBVCCILUKXFZLK-SFYZADRCSA-N 1 2 217.234 3.130 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccc(F)cc1 ZINC000228482353 487656905 /nfs/dbraw/zinc/65/69/05/487656905.db2.gz YBVCCILUKXFZLK-YUMQZZPRSA-N 1 2 217.234 3.130 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc(F)cc1 ZINC000228482358 487656888 /nfs/dbraw/zinc/65/68/88/487656888.db2.gz YBVCCILUKXFZLK-HTQZYQBOSA-N 1 2 217.234 3.130 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)C(F)F ZINC000228482362 488010496 /nfs/dbraw/zinc/01/04/96/488010496.db2.gz YBVCCILUKXFZLK-JGVFFNPUSA-N 1 2 217.234 3.130 20 0 BGADLO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000228483294 487656825 /nfs/dbraw/zinc/65/68/25/487656825.db2.gz PLXCOABIAICMSQ-ZJUUUORDSA-N 1 2 213.271 3.299 20 0 BGADLO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000228483302 487656858 /nfs/dbraw/zinc/65/68/58/487656858.db2.gz PLXCOABIAICMSQ-UWVGGRQHSA-N 1 2 213.271 3.299 20 0 BGADLO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000228483309 487656833 /nfs/dbraw/zinc/65/68/33/487656833.db2.gz PLXCOABIAICMSQ-NXEZZACHSA-N 1 2 213.271 3.299 20 0 BGADLO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(F)F ZINC000228483317 487656735 /nfs/dbraw/zinc/65/67/35/487656735.db2.gz PLXCOABIAICMSQ-VHSXEESVSA-N 1 2 213.271 3.299 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(F)F ZINC000228484084 491095261 /nfs/dbraw/zinc/09/52/61/491095261.db2.gz BJABVJWAIOKCQV-BXKDBHETSA-N 1 2 225.282 3.307 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(F)F ZINC000228484094 491095270 /nfs/dbraw/zinc/09/52/70/491095270.db2.gz BJABVJWAIOKCQV-JOYOIKCWSA-N 1 2 225.282 3.307 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(F)F ZINC000228484099 491095279 /nfs/dbraw/zinc/09/52/79/491095279.db2.gz BJABVJWAIOKCQV-SKDRFNHKSA-N 1 2 225.282 3.307 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C(F)F ZINC000228484105 491095484 /nfs/dbraw/zinc/09/54/84/491095484.db2.gz BJABVJWAIOKCQV-CABZTGNLSA-N 1 2 225.282 3.307 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cccc(F)c1 ZINC000228485265 487657834 /nfs/dbraw/zinc/65/78/34/487657834.db2.gz DEKFCDKKWGBDQH-SFYZADRCSA-N 1 2 217.234 3.130 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cccc(F)c1 ZINC000228485274 487657878 /nfs/dbraw/zinc/65/78/78/487657878.db2.gz DEKFCDKKWGBDQH-YUMQZZPRSA-N 1 2 217.234 3.130 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cccc(F)c1 ZINC000228485282 487657432 /nfs/dbraw/zinc/65/74/32/487657432.db2.gz DEKFCDKKWGBDQH-HTQZYQBOSA-N 1 2 217.234 3.130 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C(F)F ZINC000228485288 487657632 /nfs/dbraw/zinc/65/76/32/487657632.db2.gz DEKFCDKKWGBDQH-JGVFFNPUSA-N 1 2 217.234 3.130 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cccs1 ZINC000228485335 487657468 /nfs/dbraw/zinc/65/74/68/487657468.db2.gz ARVDGERYPNILIT-RQJHMYQMSA-N 1 2 205.273 3.052 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cccs1 ZINC000228485341 487657325 /nfs/dbraw/zinc/65/73/25/487657325.db2.gz ARVDGERYPNILIT-BQBZGAKWSA-N 1 2 205.273 3.052 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cccs1 ZINC000228485349 487657945 /nfs/dbraw/zinc/65/79/45/487657945.db2.gz ARVDGERYPNILIT-RNFRBKRXSA-N 1 2 205.273 3.052 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(F)F ZINC000228485356 487657853 /nfs/dbraw/zinc/65/78/53/487657853.db2.gz ARVDGERYPNILIT-NKWVEPMBSA-N 1 2 205.273 3.052 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(F)F ZINC000228486629 487657547 /nfs/dbraw/zinc/65/75/47/487657547.db2.gz BAYGBFAEZYASCD-SSDOTTSWSA-N 1 2 219.662 3.083 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(Cl)cc1)C(F)F ZINC000228486635 487657954 /nfs/dbraw/zinc/65/79/54/487657954.db2.gz BAYGBFAEZYASCD-ZETCQYMHSA-N 1 2 219.662 3.083 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc(F)c(F)c1 ZINC000228490946 487662093 /nfs/dbraw/zinc/66/20/93/487662093.db2.gz VADUSNFRIBFUMH-RQJHMYQMSA-N 1 2 235.224 3.269 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccc(F)c(F)c1 ZINC000228490954 487662195 /nfs/dbraw/zinc/66/21/95/487662195.db2.gz VADUSNFRIBFUMH-BQBZGAKWSA-N 1 2 235.224 3.269 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc(F)c(F)c1 ZINC000228490959 487662171 /nfs/dbraw/zinc/66/21/71/487662171.db2.gz VADUSNFRIBFUMH-RNFRBKRXSA-N 1 2 235.224 3.269 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(F)F ZINC000228490967 487662058 /nfs/dbraw/zinc/66/20/58/487662058.db2.gz VADUSNFRIBFUMH-NKWVEPMBSA-N 1 2 235.224 3.269 20 0 BGADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000228492192 487662719 /nfs/dbraw/zinc/66/27/19/487662719.db2.gz RIFLLAMYQQGYBJ-ZJUUUORDSA-N 1 2 243.297 3.308 20 0 BGADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000228492199 487662611 /nfs/dbraw/zinc/66/26/11/487662611.db2.gz RIFLLAMYQQGYBJ-UWVGGRQHSA-N 1 2 243.297 3.308 20 0 BGADLO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000228492204 488158118 /nfs/dbraw/zinc/15/81/18/488158118.db2.gz RIFLLAMYQQGYBJ-NXEZZACHSA-N 1 2 243.297 3.308 20 0 BGADLO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(F)F ZINC000228492212 487662936 /nfs/dbraw/zinc/66/29/36/487662936.db2.gz RIFLLAMYQQGYBJ-VHSXEESVSA-N 1 2 243.297 3.308 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc(OC)cc1 ZINC000228497268 487664206 /nfs/dbraw/zinc/66/42/06/487664206.db2.gz OPUIZPPCYYASHS-JOYOIKCWSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)C(F)F)c1ccc(OC)cc1 ZINC000228497276 488097097 /nfs/dbraw/zinc/09/70/97/488097097.db2.gz OPUIZPPCYYASHS-CABZTGNLSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)C(F)F)c1ccc(OC)cc1 ZINC000228497284 487664355 /nfs/dbraw/zinc/66/43/55/487664355.db2.gz OPUIZPPCYYASHS-BXKDBHETSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@H]([NH2+][C@H](C)C(F)F)c1ccc(OC)cc1 ZINC000228497290 487664215 /nfs/dbraw/zinc/66/42/15/487664215.db2.gz OPUIZPPCYYASHS-SKDRFNHKSA-N 1 2 243.297 3.390 20 0 BGADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)cc1F ZINC000228498339 487664926 /nfs/dbraw/zinc/66/49/26/487664926.db2.gz HBHQKJYPCHNECM-SFYZADRCSA-N 1 2 247.260 3.139 20 0 BGADLO COc1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)cc1F ZINC000228498346 487665166 /nfs/dbraw/zinc/66/51/66/487665166.db2.gz HBHQKJYPCHNECM-YUMQZZPRSA-N 1 2 247.260 3.139 20 0 BGADLO COc1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)cc1F ZINC000228498353 487665175 /nfs/dbraw/zinc/66/51/75/487665175.db2.gz HBHQKJYPCHNECM-HTQZYQBOSA-N 1 2 247.260 3.139 20 0 BGADLO COc1ccc([C@H](C)[NH2+][C@H](C)C(F)F)cc1F ZINC000228498358 487665148 /nfs/dbraw/zinc/66/51/48/487665148.db2.gz HBHQKJYPCHNECM-JGVFFNPUSA-N 1 2 247.260 3.139 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)C(F)F ZINC000228502101 487666451 /nfs/dbraw/zinc/66/64/51/487666451.db2.gz YXWFDENIVWDJTA-PSASIEDQSA-N 1 2 243.322 3.467 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCSc2ccccc21)C(F)F ZINC000228502108 487666628 /nfs/dbraw/zinc/66/66/28/487666628.db2.gz YXWFDENIVWDJTA-WCBMZHEXSA-N 1 2 243.322 3.467 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCSc2ccccc21)C(F)F ZINC000228502114 487666335 /nfs/dbraw/zinc/66/63/35/487666335.db2.gz YXWFDENIVWDJTA-SCZZXKLOSA-N 1 2 243.322 3.467 20 0 BGADLO C[C@H]([NH2+][C@H]1CCSc2ccccc21)C(F)F ZINC000228502118 487666573 /nfs/dbraw/zinc/66/65/73/487666573.db2.gz YXWFDENIVWDJTA-WPRPVWTQSA-N 1 2 243.322 3.467 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000228505536 487667488 /nfs/dbraw/zinc/66/74/88/487667488.db2.gz VETQXLHONQSBRH-ZJUUUORDSA-N 1 2 213.271 3.299 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)cc1 ZINC000228505544 488017718 /nfs/dbraw/zinc/01/77/18/488017718.db2.gz VETQXLHONQSBRH-UWVGGRQHSA-N 1 2 213.271 3.299 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000228505553 487667499 /nfs/dbraw/zinc/66/74/99/487667499.db2.gz VETQXLHONQSBRH-NXEZZACHSA-N 1 2 213.271 3.299 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H](C)C(F)F)cc1 ZINC000228505558 487667214 /nfs/dbraw/zinc/66/72/14/487667214.db2.gz VETQXLHONQSBRH-VHSXEESVSA-N 1 2 213.271 3.299 20 0 BGADLO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C(F)F)s1 ZINC000228508625 487668129 /nfs/dbraw/zinc/66/81/29/487668129.db2.gz QEJWHCLIPQWDAX-VDTYLAMSSA-N 1 2 234.315 3.064 20 0 BGADLO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)C(F)F)s1 ZINC000228508632 487668158 /nfs/dbraw/zinc/66/81/58/487668158.db2.gz QEJWHCLIPQWDAX-FSPLSTOPSA-N 1 2 234.315 3.064 20 0 BGADLO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)C(F)F)s1 ZINC000228508640 487668401 /nfs/dbraw/zinc/66/84/01/487668401.db2.gz QEJWHCLIPQWDAX-IYSWYEEDSA-N 1 2 234.315 3.064 20 0 BGADLO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)C(F)F)s1 ZINC000228508645 487668055 /nfs/dbraw/zinc/66/80/55/487668055.db2.gz QEJWHCLIPQWDAX-CAHLUQPWSA-N 1 2 234.315 3.064 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)s1 ZINC000228509823 487668078 /nfs/dbraw/zinc/66/80/78/487668078.db2.gz CYVXJONZFHBTSE-SFYZADRCSA-N 1 2 219.300 3.361 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)s1 ZINC000228509827 487668541 /nfs/dbraw/zinc/66/85/41/487668541.db2.gz CYVXJONZFHBTSE-YUMQZZPRSA-N 1 2 219.300 3.361 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)s1 ZINC000228509833 488019326 /nfs/dbraw/zinc/01/93/26/488019326.db2.gz CYVXJONZFHBTSE-HTQZYQBOSA-N 1 2 219.300 3.361 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H](C)C(F)F)s1 ZINC000228509841 487668214 /nfs/dbraw/zinc/66/82/14/487668214.db2.gz CYVXJONZFHBTSE-JGVFFNPUSA-N 1 2 219.300 3.361 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)C(F)F)c1cccs1 ZINC000228510071 487668208 /nfs/dbraw/zinc/66/82/08/487668208.db2.gz XZDMAHKPOPVDTP-JGVFFNPUSA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)C(F)F)c1cccs1 ZINC000228510076 487668103 /nfs/dbraw/zinc/66/81/03/487668103.db2.gz XZDMAHKPOPVDTP-YUMQZZPRSA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)C(F)F)c1cccs1 ZINC000228510084 487668089 /nfs/dbraw/zinc/66/80/89/487668089.db2.gz XZDMAHKPOPVDTP-HTQZYQBOSA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@H]([NH2+][C@H](C)C(F)F)c1cccs1 ZINC000228510090 487668744 /nfs/dbraw/zinc/66/87/44/487668744.db2.gz XZDMAHKPOPVDTP-SFYZADRCSA-N 1 2 219.300 3.442 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@@H](C)C(F)F)c(C)o1 ZINC000228511087 487668726 /nfs/dbraw/zinc/66/87/26/487668726.db2.gz ATPBMNOVGKOZHQ-YUMQZZPRSA-N 1 2 217.259 3.201 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@H](C)C(F)F)c(C)o1 ZINC000228511093 487668611 /nfs/dbraw/zinc/66/86/11/487668611.db2.gz ATPBMNOVGKOZHQ-HTQZYQBOSA-N 1 2 217.259 3.201 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@H](C)C(F)F)c(C)o1 ZINC000228511098 487668330 /nfs/dbraw/zinc/66/83/30/487668330.db2.gz ATPBMNOVGKOZHQ-JGVFFNPUSA-N 1 2 217.259 3.201 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)C(F)F)c1ccccc1 ZINC000228511934 487667997 /nfs/dbraw/zinc/66/79/97/487667997.db2.gz XWFBGWRQGPFDJS-GXSJLCMTSA-N 1 2 213.271 3.381 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)C(F)F)c1ccccc1 ZINC000228511942 487668790 /nfs/dbraw/zinc/66/87/90/487668790.db2.gz XWFBGWRQGPFDJS-ONGXEEELSA-N 1 2 213.271 3.381 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)C(F)F)c1ccccc1 ZINC000228511946 487668302 /nfs/dbraw/zinc/66/83/02/487668302.db2.gz XWFBGWRQGPFDJS-MWLCHTKSSA-N 1 2 213.271 3.381 20 0 BGADLO CC[C@H]([NH2+][C@H](C)C(F)F)c1ccccc1 ZINC000228511953 491089897 /nfs/dbraw/zinc/08/98/97/491089897.db2.gz XWFBGWRQGPFDJS-KOLCDFICSA-N 1 2 213.271 3.381 20 0 BGADLO C[C@@H]([NH2+]Cc1cccc(Cl)c1)C(F)F ZINC000228512337 487668645 /nfs/dbraw/zinc/66/86/45/487668645.db2.gz UZICOQPXBKSHQP-SSDOTTSWSA-N 1 2 219.662 3.083 20 0 BGADLO C[C@H]([NH2+]Cc1cccc(Cl)c1)C(F)F ZINC000228512343 487668023 /nfs/dbraw/zinc/66/80/23/487668023.db2.gz UZICOQPXBKSHQP-ZETCQYMHSA-N 1 2 219.662 3.083 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C(F)F ZINC000228512351 487668659 /nfs/dbraw/zinc/66/86/59/487668659.db2.gz YVPNSPPVDAXDHO-ZCFIWIBFSA-N 1 2 237.652 3.222 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C(F)F ZINC000228512355 490216503 /nfs/dbraw/zinc/21/65/03/490216503.db2.gz YVPNSPPVDAXDHO-LURJTMIESA-N 1 2 237.652 3.222 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)C(F)F ZINC000228512599 487668681 /nfs/dbraw/zinc/66/86/81/487668681.db2.gz DSFWTCWVYJJFQQ-VXNVDRBHSA-N 1 2 231.311 3.369 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCc2sccc21)C(F)F ZINC000228512603 487668239 /nfs/dbraw/zinc/66/82/39/487668239.db2.gz DSFWTCWVYJJFQQ-IONNQARKSA-N 1 2 231.311 3.369 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCc2sccc21)C(F)F ZINC000228512607 487668275 /nfs/dbraw/zinc/66/82/75/487668275.db2.gz DSFWTCWVYJJFQQ-APPZFPTMSA-N 1 2 231.311 3.369 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCc2sccc21)C(F)F ZINC000228512613 487668583 /nfs/dbraw/zinc/66/85/83/487668583.db2.gz DSFWTCWVYJJFQQ-CBAPKCEASA-N 1 2 231.311 3.369 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccsc1 ZINC000228512621 487668598 /nfs/dbraw/zinc/66/85/98/487668598.db2.gz OUWPXAWDUARKGW-RQJHMYQMSA-N 1 2 205.273 3.052 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccsc1 ZINC000228512627 487668267 /nfs/dbraw/zinc/66/82/67/487668267.db2.gz OUWPXAWDUARKGW-BQBZGAKWSA-N 1 2 205.273 3.052 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccsc1 ZINC000228512633 487668048 /nfs/dbraw/zinc/66/80/48/487668048.db2.gz OUWPXAWDUARKGW-RNFRBKRXSA-N 1 2 205.273 3.052 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C(F)F ZINC000228512639 487668693 /nfs/dbraw/zinc/66/86/93/487668693.db2.gz OUWPXAWDUARKGW-NKWVEPMBSA-N 1 2 205.273 3.052 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(Cl)s1)C(F)F ZINC000228514310 487669462 /nfs/dbraw/zinc/66/94/62/487669462.db2.gz WCLYRGRXGSREQD-RXMQYKEDSA-N 1 2 225.691 3.145 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(Cl)s1)C(F)F ZINC000228514316 488019979 /nfs/dbraw/zinc/01/99/79/488019979.db2.gz WCLYRGRXGSREQD-YFKPBYRVSA-N 1 2 225.691 3.145 20 0 BGADLO Cc1cccc([C@@H](C)[NH2+][C@@H](C)C(F)F)c1 ZINC000228517997 487670047 /nfs/dbraw/zinc/67/00/47/487670047.db2.gz YIAJWCMRWMQJKA-ZJUUUORDSA-N 1 2 213.271 3.299 20 0 BGADLO Cc1cccc([C@@H](C)[NH2+][C@H](C)C(F)F)c1 ZINC000228518006 487669268 /nfs/dbraw/zinc/66/92/68/487669268.db2.gz YIAJWCMRWMQJKA-NXEZZACHSA-N 1 2 213.271 3.299 20 0 BGADLO Cc1cccc([C@H](C)[NH2+][C@@H](C)C(F)F)c1 ZINC000228518014 487669494 /nfs/dbraw/zinc/66/94/94/487669494.db2.gz YIAJWCMRWMQJKA-UWVGGRQHSA-N 1 2 213.271 3.299 20 0 BGADLO Cc1cccc([C@H](C)[NH2+][C@H](C)C(F)F)c1 ZINC000228518019 487669391 /nfs/dbraw/zinc/66/93/91/487669391.db2.gz YIAJWCMRWMQJKA-VHSXEESVSA-N 1 2 213.271 3.299 20 0 BGADLO c1ccc2[nH+]c(NC[C@@H]3CCSC3)ccc2c1 ZINC000228582754 386589847 /nfs/dbraw/zinc/58/98/47/386589847.db2.gz HYGPQIJDPUXFNH-NSHDSACASA-N 1 2 244.363 3.400 20 0 BGADLO c1ccc2[nH+]c(NC[C@H]3CCSC3)ccc2c1 ZINC000228582757 386589777 /nfs/dbraw/zinc/58/97/77/386589777.db2.gz HYGPQIJDPUXFNH-LLVKDONJSA-N 1 2 244.363 3.400 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NCCCCCO ZINC000228724555 178298261 /nfs/dbraw/zinc/29/82/61/178298261.db2.gz VJTVFEHDRIFRAJ-UHFFFAOYSA-N 1 2 244.338 3.118 20 0 BGADLO COc1ccc[nH+]c1NCCC1=CCCC1 ZINC000228779163 388822464 /nfs/dbraw/zinc/82/24/64/388822464.db2.gz ISLCDCCAHGUVDN-UHFFFAOYSA-N 1 2 218.300 3.003 20 0 BGADLO CSCCCCCNc1cccc[nH+]1 ZINC000229570199 388795641 /nfs/dbraw/zinc/79/56/41/388795641.db2.gz RLYNXLJZMGBZHC-UHFFFAOYSA-N 1 2 210.346 3.027 20 0 BGADLO Cc1cc(NCC2(C)CCCCC2)nc[nH+]1 ZINC000229595580 387184929 /nfs/dbraw/zinc/18/49/29/387184929.db2.gz KJRXKWFVAGJRCU-UHFFFAOYSA-N 1 2 219.332 3.167 20 0 BGADLO Cc1nc(NCC2(C)CCCCC2)cc[nH+]1 ZINC000229595748 387185018 /nfs/dbraw/zinc/18/50/18/387185018.db2.gz VLEQRJXUAAHDAL-UHFFFAOYSA-N 1 2 219.332 3.167 20 0 BGADLO CC1(CNc2cccc[nH+]2)CCCCC1 ZINC000229596069 388797106 /nfs/dbraw/zinc/79/71/06/388797106.db2.gz XXWASUYBMILJID-UHFFFAOYSA-N 1 2 204.317 3.464 20 0 BGADLO CC(C)C(CNc1cccc[nH+]1)C(C)C ZINC000229697896 191117904 /nfs/dbraw/zinc/11/79/04/191117904.db2.gz OPEPSOXVPWVKHT-UHFFFAOYSA-N 1 2 206.333 3.422 20 0 BGADLO Cc1cc(NCC(C(C)C)C(C)C)nc[nH+]1 ZINC000229698710 178154990 /nfs/dbraw/zinc/15/49/90/178154990.db2.gz OPFVDTDKYJTYJO-UHFFFAOYSA-N 1 2 221.348 3.125 20 0 BGADLO Cc1nc(NCC(C(C)C)C(C)C)cc[nH+]1 ZINC000229702459 259642676 /nfs/dbraw/zinc/64/26/76/259642676.db2.gz XICMNAGJTCIEBX-UHFFFAOYSA-N 1 2 221.348 3.125 20 0 BGADLO c1ccc2[nH+]c(NCC[C@@H]3CCOC3)ccc2c1 ZINC000230103120 387252110 /nfs/dbraw/zinc/25/21/10/387252110.db2.gz DZLSEHXHOGHRAF-GFCCVEGCSA-N 1 2 242.322 3.073 20 0 BGADLO c1ccc2[nH+]c(NCC[C@H]3CCOC3)ccc2c1 ZINC000230103127 387252979 /nfs/dbraw/zinc/25/29/79/387252979.db2.gz DZLSEHXHOGHRAF-LBPRGKRZSA-N 1 2 242.322 3.073 20 0 BGADLO C[C@@H](CO)CCCNc1ccc2ccccc2[nH+]1 ZINC000230147168 385713352 /nfs/dbraw/zinc/71/33/52/385713352.db2.gz CXKVGRITAHRTQX-GFCCVEGCSA-N 1 2 244.338 3.055 20 0 BGADLO C[C@H](CO)CCCNc1ccc2ccccc2[nH+]1 ZINC000230147174 385712899 /nfs/dbraw/zinc/71/28/99/385712899.db2.gz CXKVGRITAHRTQX-LBPRGKRZSA-N 1 2 244.338 3.055 20 0 BGADLO CCCC1(CNc2cc(CC)[nH+]cn2)CC1 ZINC000230149767 491127808 /nfs/dbraw/zinc/12/78/08/491127808.db2.gz AXTMVWWNZIBFDL-UHFFFAOYSA-N 1 2 219.332 3.031 20 0 BGADLO CCC1(CNc2cc(C)[nH+]cn2)CCCC1 ZINC000230187972 353474994 /nfs/dbraw/zinc/47/49/94/353474994.db2.gz RDDLNVRGKFYRFP-UHFFFAOYSA-N 1 2 219.332 3.167 20 0 BGADLO CCC1(CNc2cccc[nH+]2)CCCC1 ZINC000230188080 363298605 /nfs/dbraw/zinc/29/86/05/363298605.db2.gz BFKWDCCSDFWQQJ-UHFFFAOYSA-N 1 2 204.317 3.464 20 0 BGADLO CCC1(CNc2cc[nH+]c(C)n2)CCCC1 ZINC000230188181 387242140 /nfs/dbraw/zinc/24/21/40/387242140.db2.gz PMWDWPJNWQKQLF-UHFFFAOYSA-N 1 2 219.332 3.167 20 0 BGADLO COC(C)(C)CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000230401205 357538520 /nfs/dbraw/zinc/53/85/20/357538520.db2.gz WQKKKWLQGCOWCX-UHFFFAOYSA-N 1 2 246.354 3.468 20 0 BGADLO COc1cc(C)ccc1[NH2+]CCC(C)(C)OC ZINC000230404281 357539478 /nfs/dbraw/zinc/53/94/78/357539478.db2.gz OVVZFHSSFLRTKE-UHFFFAOYSA-N 1 2 237.343 3.231 20 0 BGADLO COc1ccc(N[C@@H]2CCC(C)(C)C2)[nH+]c1 ZINC000230404786 491129981 /nfs/dbraw/zinc/12/99/81/491129981.db2.gz HSGYGVWKWNUMEW-SNVBAGLBSA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@H]2CCC(C)(C)C2)[nH+]c1 ZINC000230404789 491129987 /nfs/dbraw/zinc/12/99/87/491129987.db2.gz HSGYGVWKWNUMEW-JTQLQIEISA-N 1 2 220.316 3.081 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCC(C)(C)C2)c1 ZINC000230404809 388825204 /nfs/dbraw/zinc/82/52/04/388825204.db2.gz HXHGRBQILBGGGT-LLVKDONJSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCC(C)(C)C2)c1 ZINC000230404813 388825173 /nfs/dbraw/zinc/82/51/73/388825173.db2.gz HXHGRBQILBGGGT-NSHDSACASA-N 1 2 204.317 3.381 20 0 BGADLO C[C@@H]([NH2+]Cc1ccon1)c1csc(Cl)c1 ZINC000230410301 641052531 /nfs/dbraw/zinc/05/25/31/641052531.db2.gz PUJNEPULBNFFIG-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H]([NH2+]Cc1ccon1)c1csc(Cl)c1 ZINC000230410306 641052880 /nfs/dbraw/zinc/05/28/80/641052880.db2.gz PUJNEPULBNFFIG-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C)s2)o1 ZINC000230635971 641075444 /nfs/dbraw/zinc/07/54/44/641075444.db2.gz AJNUUIUWKPGLEZ-JTQLQIEISA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cnc(C[NH2+][C@H](C)c2ccc(C)s2)o1 ZINC000230635978 641075698 /nfs/dbraw/zinc/07/56/98/641075698.db2.gz AJNUUIUWKPGLEZ-SNVBAGLBSA-N 1 2 236.340 3.204 20 0 BGADLO CCCC[C@@H](CC)CNc1cc[nH+]c(C)n1 ZINC000230895076 357577920 /nfs/dbraw/zinc/57/79/20/357577920.db2.gz SMTBKJJMZDUSDK-GFCCVEGCSA-N 1 2 221.348 3.413 20 0 BGADLO CCCC[C@H](CC)CNc1cc[nH+]c(C)n1 ZINC000230895078 357578134 /nfs/dbraw/zinc/57/81/34/357578134.db2.gz SMTBKJJMZDUSDK-LBPRGKRZSA-N 1 2 221.348 3.413 20 0 BGADLO Cc1nc(NCCCC2CCCC2)cc[nH+]1 ZINC000230896699 357578329 /nfs/dbraw/zinc/57/83/29/357578329.db2.gz UQWARKWAUQBVPH-UHFFFAOYSA-N 1 2 219.332 3.167 20 0 BGADLO CCc1ccc(CNc2cc[nH+]c(C)n2)s1 ZINC000230899763 385765617 /nfs/dbraw/zinc/76/56/17/385765617.db2.gz RBSZLOOEOCDSSB-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO Cc1nc(NC[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000230900922 357578693 /nfs/dbraw/zinc/57/86/93/357578693.db2.gz SQJWJAZUSMIZPD-ZYHUDNBSSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1nc(NC[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000230900927 357579005 /nfs/dbraw/zinc/57/90/05/357579005.db2.gz SQJWJAZUSMIZPD-PWSUYJOCSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1nc(NC[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000230900931 357578378 /nfs/dbraw/zinc/57/83/78/357578378.db2.gz SQJWJAZUSMIZPD-CMPLNLGQSA-N 1 2 219.332 3.023 20 0 BGADLO Cc1nc(NC[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000230900934 357578817 /nfs/dbraw/zinc/57/88/17/357578817.db2.gz SQJWJAZUSMIZPD-JQWIXIFHSA-N 1 2 219.332 3.023 20 0 BGADLO CC(C)[C@@H](CCO)Nc1ccc2ccccc2[nH+]1 ZINC000230915145 353553075 /nfs/dbraw/zinc/55/30/75/353553075.db2.gz FHUPXZXQXOYMJX-CYBMUJFWSA-N 1 2 244.338 3.054 20 0 BGADLO CC(C)[C@H](CCO)Nc1ccc2ccccc2[nH+]1 ZINC000230915149 353552927 /nfs/dbraw/zinc/55/29/27/353552927.db2.gz FHUPXZXQXOYMJX-ZDUSSCGKSA-N 1 2 244.338 3.054 20 0 BGADLO c1ccc2[nH+]c(N[C@@H]3CCSC3)ccc2c1 ZINC000230919222 357579569 /nfs/dbraw/zinc/57/95/69/357579569.db2.gz VIIVPCGWQTUAIH-LLVKDONJSA-N 1 2 230.336 3.152 20 0 BGADLO c1ccc2[nH+]c(N[C@H]3CCSC3)ccc2c1 ZINC000230919225 357579817 /nfs/dbraw/zinc/57/98/17/357579817.db2.gz VIIVPCGWQTUAIH-NSHDSACASA-N 1 2 230.336 3.152 20 0 BGADLO CCC(CC)(CNc1cc[nH+]c(C)n1)SC ZINC000230920932 168326496 /nfs/dbraw/zinc/32/64/96/168326496.db2.gz FYODWNLWIWWRHO-UHFFFAOYSA-N 1 2 239.388 3.119 20 0 BGADLO CCC(CC)(CNc1cccc[nH+]1)SC ZINC000230921009 641113895 /nfs/dbraw/zinc/11/38/95/641113895.db2.gz VEFXRWJJZBJUJW-UHFFFAOYSA-N 1 2 224.373 3.415 20 0 BGADLO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC(F)(F)F)C1 ZINC000230984968 322928540 /nfs/dbraw/zinc/92/85/40/322928540.db2.gz WPMZNDLBOZCSFV-NXEZZACHSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)[C@H]1CCC[C@@H]([NH2+]CC(F)(F)F)C1 ZINC000230984970 384521617 /nfs/dbraw/zinc/52/16/17/384521617.db2.gz WPMZNDLBOZCSFV-VHSXEESVSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)[C@@H]1CCC[C@H]([NH2+]CC(F)(F)F)C1 ZINC000230984973 388832476 /nfs/dbraw/zinc/83/24/76/388832476.db2.gz WPMZNDLBOZCSFV-ZJUUUORDSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)[C@H]1CCC[C@H]([NH2+]CC(F)(F)F)C1 ZINC000230984975 388832805 /nfs/dbraw/zinc/83/28/05/388832805.db2.gz WPMZNDLBOZCSFV-UWVGGRQHSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)(CCO)CNc1ccc2ccccc2[nH+]1 ZINC000231156734 187228879 /nfs/dbraw/zinc/22/88/79/187228879.db2.gz AVEDTFRDEHBZEQ-UHFFFAOYSA-N 1 2 244.338 3.055 20 0 BGADLO CCc1ccc(CNc2[nH+]cccc2OC)s1 ZINC000231325001 325079293 /nfs/dbraw/zinc/07/92/93/325079293.db2.gz MFDDRZRVXKEXTB-UHFFFAOYSA-N 1 2 248.351 3.326 20 0 BGADLO CCc1ccc(CNc2[nH+]cccc2OC)cc1 ZINC000231325018 325079204 /nfs/dbraw/zinc/07/92/04/325079204.db2.gz PFAKLQFNHYEMSE-UHFFFAOYSA-N 1 2 242.322 3.265 20 0 BGADLO CN(C)c1ccc(NCC2CCCCC2)[nH+]c1 ZINC000231488261 350627402 /nfs/dbraw/zinc/62/74/02/350627402.db2.gz KSWWUWBKZPPRJE-UHFFFAOYSA-N 1 2 233.359 3.140 20 0 BGADLO CCc1cnc(C[NH2+][C@@H](C)c2ccsc2)o1 ZINC000231634759 537918788 /nfs/dbraw/zinc/91/87/88/537918788.db2.gz HDCLOPCUAAEMSK-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO CCc1cnc(C[NH2+][C@H](C)c2ccsc2)o1 ZINC000231634761 566313920 /nfs/dbraw/zinc/31/39/20/566313920.db2.gz HDCLOPCUAAEMSK-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO Cc1cnc(C[NH2+]Cc2ccc(C3CC3)cc2)o1 ZINC000231638109 490411348 /nfs/dbraw/zinc/41/13/48/490411348.db2.gz HTRZAVKMJPRTOC-UHFFFAOYSA-N 1 2 242.322 3.150 20 0 BGADLO CC[C@@H]([NH2+]Cc1ncc(C)o1)c1ccccc1F ZINC000231638158 488217514 /nfs/dbraw/zinc/21/75/14/488217514.db2.gz OTHJAIQWSWKVJH-CYBMUJFWSA-N 1 2 248.301 3.363 20 0 BGADLO CC[C@H]([NH2+]Cc1ncc(C)o1)c1ccccc1F ZINC000231638161 488217338 /nfs/dbraw/zinc/21/73/38/488217338.db2.gz OTHJAIQWSWKVJH-ZDUSSCGKSA-N 1 2 248.301 3.363 20 0 BGADLO Cc1cnc(C[NH2+][C@@H]2CCc3ccc(C)cc32)o1 ZINC000231639413 488218285 /nfs/dbraw/zinc/21/82/85/488218285.db2.gz PGZOOKQCOKSGGE-CQSZACIVSA-N 1 2 242.322 3.069 20 0 BGADLO Cc1cnc(C[NH2+][C@H]2CCc3ccc(C)cc32)o1 ZINC000231639415 488218215 /nfs/dbraw/zinc/21/82/15/488218215.db2.gz PGZOOKQCOKSGGE-AWEZNQCLSA-N 1 2 242.322 3.069 20 0 BGADLO Cc1cnc(C[NH2+][C@@H]2CCCc3sccc32)o1 ZINC000231640345 488218699 /nfs/dbraw/zinc/21/86/99/488218699.db2.gz QVUUTINUFPSDPZ-LLVKDONJSA-N 1 2 248.351 3.212 20 0 BGADLO Cc1cnc(C[NH2+][C@H]2CCCc3sccc32)o1 ZINC000231640348 488218194 /nfs/dbraw/zinc/21/81/94/488218194.db2.gz QVUUTINUFPSDPZ-NSHDSACASA-N 1 2 248.351 3.212 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)o1 ZINC000231739603 538107049 /nfs/dbraw/zinc/10/70/49/538107049.db2.gz PAQDZXUBIQWJNT-VHSXEESVSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccsc2)o1 ZINC000231739606 538107208 /nfs/dbraw/zinc/10/72/08/538107208.db2.gz PAQDZXUBIQWJNT-UWVGGRQHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2ccsc2)o1 ZINC000231739608 538107060 /nfs/dbraw/zinc/10/70/60/538107060.db2.gz PAQDZXUBIQWJNT-NXEZZACHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2ccsc2)o1 ZINC000231739611 538107190 /nfs/dbraw/zinc/10/71/90/538107190.db2.gz PAQDZXUBIQWJNT-ZJUUUORDSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+]C1CC(C)C1 ZINC000231789414 641203187 /nfs/dbraw/zinc/20/31/87/641203187.db2.gz VYUVIAFHKZKXMQ-UHFFFAOYSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NC1CC(C)C1 ZINC000231789414 641203176 /nfs/dbraw/zinc/20/31/76/641203176.db2.gz VYUVIAFHKZKXMQ-UHFFFAOYSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1c[nH+]cc(NCc2cc(C)c(O)c(C)c2)c1 ZINC000232073080 385834053 /nfs/dbraw/zinc/83/40/53/385834053.db2.gz FJFWPHOWAFBFAH-UHFFFAOYSA-N 1 2 242.322 3.325 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)Cc2ccc(O)cc2)c1 ZINC000232073307 387286857 /nfs/dbraw/zinc/28/68/57/387286857.db2.gz QOJHXVCUOBHRGU-LBPRGKRZSA-N 1 2 242.322 3.139 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)Cc2ccc(O)cc2)c1 ZINC000232073309 387286609 /nfs/dbraw/zinc/28/66/09/387286609.db2.gz QOJHXVCUOBHRGU-GFCCVEGCSA-N 1 2 242.322 3.139 20 0 BGADLO CCn1c[nH+]cc1CNc1cc(C)ccc1Cl ZINC000232228602 357654025 /nfs/dbraw/zinc/65/40/25/357654025.db2.gz CKTLYJGGKDMLSI-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO Cc1ccc(NC2CC(C(C)C)C2)c[nH+]1 ZINC000232540818 388852487 /nfs/dbraw/zinc/85/24/87/388852487.db2.gz HLYPVHJFOHVUCO-UHFFFAOYSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1[nH+]cccc1NC1CC(C(C)C)C1 ZINC000232541757 388852372 /nfs/dbraw/zinc/85/23/72/388852372.db2.gz CRYGRZSHUVBTGQ-UHFFFAOYSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1c[nH+]cc(NC2CC(C(C)C)C2)c1 ZINC000232541786 388852578 /nfs/dbraw/zinc/85/25/78/388852578.db2.gz LZXSNTKQPDSXMD-UHFFFAOYSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1cc[nH+]c(NCC(C)C)c1Br ZINC000232634454 353150043 /nfs/dbraw/zinc/15/00/43/353150043.db2.gz SNJMHEILNHUWAZ-UHFFFAOYSA-N 1 2 243.148 3.220 20 0 BGADLO CC(C)=CCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000232635892 353747085 /nfs/dbraw/zinc/74/70/85/353747085.db2.gz MZZSLPWNAKSDCU-UHFFFAOYSA-N 1 2 230.233 3.479 20 0 BGADLO CC(C)=CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000232767015 353760559 /nfs/dbraw/zinc/76/05/59/353760559.db2.gz AKXSRJRSPBLASU-UHFFFAOYSA-N 1 2 219.332 3.287 20 0 BGADLO Cc1cnc(C[NH2+]Cc2ccc(C(C)C)cc2)o1 ZINC000232772776 537805847 /nfs/dbraw/zinc/80/58/47/537805847.db2.gz GBQBOZBGFUNPIP-UHFFFAOYSA-N 1 2 244.338 3.396 20 0 BGADLO CCCCC[C@@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000232948315 386681089 /nfs/dbraw/zinc/68/10/89/386681089.db2.gz SCTKEEJGRCMEMX-MRVPVSSYSA-N 1 2 242.754 3.093 20 0 BGADLO CCCCC[C@@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000232948315 386681078 /nfs/dbraw/zinc/68/10/78/386681078.db2.gz SCTKEEJGRCMEMX-MRVPVSSYSA-N 1 2 242.754 3.093 20 0 BGADLO CCCCC[C@H](C)Nc1[nH+]cnc(N)c1Cl ZINC000232973366 136230211 /nfs/dbraw/zinc/23/02/11/136230211.db2.gz SCTKEEJGRCMEMX-QMMMGPOBSA-N 1 2 242.754 3.093 20 0 BGADLO CCCCC[C@H](C)Nc1nc[nH+]c(N)c1Cl ZINC000232973366 136230210 /nfs/dbraw/zinc/23/02/10/136230210.db2.gz SCTKEEJGRCMEMX-QMMMGPOBSA-N 1 2 242.754 3.093 20 0 BGADLO CCCCNc1[nH+]ccc(C)c1Br ZINC000233010961 357691872 /nfs/dbraw/zinc/69/18/72/357691872.db2.gz GKIDMXJTSZECCN-UHFFFAOYSA-N 1 2 243.148 3.365 20 0 BGADLO CCCCCSCc1ccc[nH+]c1N ZINC000233065704 355359560 /nfs/dbraw/zinc/35/95/60/355359560.db2.gz UPZURNSXHPIKCX-UHFFFAOYSA-N 1 2 210.346 3.087 20 0 BGADLO CC[C@@H](C)Nc1[nH+]ccc(C)c1Br ZINC000233865139 342893353 /nfs/dbraw/zinc/89/33/53/342893353.db2.gz CIVOAUUWOMABGA-MRVPVSSYSA-N 1 2 243.148 3.363 20 0 BGADLO CC[C@@H](C)Nc1[nH+]ccc2c(OC)cccc21 ZINC000233865182 357757275 /nfs/dbraw/zinc/75/72/75/357757275.db2.gz XCEWHHPWGPEXKU-SNVBAGLBSA-N 1 2 230.311 3.454 20 0 BGADLO CC[C@H](C)Nc1[nH+]ccc(C)c1Br ZINC000233999613 342924446 /nfs/dbraw/zinc/92/44/46/342924446.db2.gz CIVOAUUWOMABGA-QMMMGPOBSA-N 1 2 243.148 3.363 20 0 BGADLO CC[C@H](C)Nc1[nH+]ccc2c(OC)cccc21 ZINC000233999676 357765335 /nfs/dbraw/zinc/76/53/35/357765335.db2.gz XCEWHHPWGPEXKU-JTQLQIEISA-N 1 2 230.311 3.454 20 0 BGADLO CO[C@H]1CCC[C@@H](Nc2ccc(C)[nH+]c2C)C1 ZINC000234772549 537870824 /nfs/dbraw/zinc/87/08/24/537870824.db2.gz UGAFFWJAAKHQJL-OLZOCXBDSA-N 1 2 234.343 3.068 20 0 BGADLO CO[C@@H]1CCC[C@@H](Nc2ccc(C)[nH+]c2C)C1 ZINC000234776601 537872681 /nfs/dbraw/zinc/87/26/81/537872681.db2.gz UGAFFWJAAKHQJL-CHWSQXEVSA-N 1 2 234.343 3.068 20 0 BGADLO CO[C@H]1CCC[C@H](Nc2ccc(C)[nH+]c2C)C1 ZINC000234832341 537878544 /nfs/dbraw/zinc/87/85/44/537878544.db2.gz UGAFFWJAAKHQJL-STQMWFEESA-N 1 2 234.343 3.068 20 0 BGADLO CO[C@@H]1CCC[C@H](Nc2ccc(C)[nH+]c2C)C1 ZINC000234835095 537879689 /nfs/dbraw/zinc/87/96/89/537879689.db2.gz UGAFFWJAAKHQJL-QWHCGFSZSA-N 1 2 234.343 3.068 20 0 BGADLO COc1ccc(NC[C@@H](C)C(C)(C)C)[nH+]c1 ZINC000234864601 537881539 /nfs/dbraw/zinc/88/15/39/537881539.db2.gz UVYFCNBEXGFWSN-SNVBAGLBSA-N 1 2 222.332 3.184 20 0 BGADLO COc1ccc(NC[C@H](C)C(C)(C)C)[nH+]c1 ZINC000234867731 537931071 /nfs/dbraw/zinc/93/10/71/537931071.db2.gz UVYFCNBEXGFWSN-JTQLQIEISA-N 1 2 222.332 3.184 20 0 BGADLO COc1cccc2c1cc[nH+]c2NCCSC ZINC000234911605 344472220 /nfs/dbraw/zinc/47/22/20/344472220.db2.gz PHPBBSABFQJULF-UHFFFAOYSA-N 1 2 248.351 3.018 20 0 BGADLO COc1ccc[nH+]c1NCCCCCSC ZINC000234948696 350707836 /nfs/dbraw/zinc/70/78/36/350707836.db2.gz ZXNMTLHHEOHGOR-UHFFFAOYSA-N 1 2 240.372 3.035 20 0 BGADLO COc1ccc(N[C@H](C)c2nc(C)cs2)[nH+]c1 ZINC000234962069 537882084 /nfs/dbraw/zinc/88/20/84/537882084.db2.gz VHFKCPWVEFULRE-SECBINFHSA-N 1 2 249.339 3.028 20 0 BGADLO COc1ccc(N[C@@H](C)c2nc(C)cs2)[nH+]c1 ZINC000234980543 537882460 /nfs/dbraw/zinc/88/24/60/537882460.db2.gz VHFKCPWVEFULRE-VIFPVBQESA-N 1 2 249.339 3.028 20 0 BGADLO COc1ccc(NC[C@@H](C)c2ccccc2)[nH+]c1 ZINC000234983144 537882195 /nfs/dbraw/zinc/88/21/95/537882195.db2.gz QOBXZFJFGULGTO-GFCCVEGCSA-N 1 2 242.322 3.306 20 0 BGADLO COc1ccc(NC[C@H](C)c2ccccc2)[nH+]c1 ZINC000234991032 537883567 /nfs/dbraw/zinc/88/35/67/537883567.db2.gz QOBXZFJFGULGTO-LBPRGKRZSA-N 1 2 242.322 3.306 20 0 BGADLO COc1cccc2c1cc[nH+]c2NC1CC=CC1 ZINC000235027731 487903101 /nfs/dbraw/zinc/90/31/01/487903101.db2.gz QMSMPPQLURJQMJ-UHFFFAOYSA-N 1 2 240.306 3.374 20 0 BGADLO COc1cccc2c1cc[nH+]c2NC1CCC1 ZINC000235028056 357846274 /nfs/dbraw/zinc/84/62/74/357846274.db2.gz FKJAQFLMXUKOFA-UHFFFAOYSA-N 1 2 228.295 3.208 20 0 BGADLO COc1cccc2c1cc[nH+]c2NCC1CC1 ZINC000235030214 357845774 /nfs/dbraw/zinc/84/57/74/357845774.db2.gz XIZGBDFECKUBIO-UHFFFAOYSA-N 1 2 228.295 3.065 20 0 BGADLO COc1cccc2c1cc[nH+]c2N[C@@H](C)C1CC1 ZINC000235038583 134586220 /nfs/dbraw/zinc/58/62/20/134586220.db2.gz MFHJCYADVMNTSN-JTQLQIEISA-N 1 2 242.322 3.454 20 0 BGADLO COc1cccc2c1cc[nH+]c2N[C@H](C)C1CC1 ZINC000235043206 357840582 /nfs/dbraw/zinc/84/05/82/357840582.db2.gz MFHJCYADVMNTSN-SNVBAGLBSA-N 1 2 242.322 3.454 20 0 BGADLO Cc1cc(Cl)ccc1C[NH2+]CC(F)F ZINC000235789442 178067141 /nfs/dbraw/zinc/06/71/41/178067141.db2.gz FAGBEYRSRVMPJS-UHFFFAOYSA-N 1 2 219.662 3.003 20 0 BGADLO Cc1cc[nH+]c(NC2CCC2)c1Br ZINC000235930189 384794957 /nfs/dbraw/zinc/79/49/57/384794957.db2.gz GPTBTQHHOBPVIS-UHFFFAOYSA-N 1 2 241.132 3.117 20 0 BGADLO Cc1ccc(CNc2[nH]c3cc(F)ccc3[nH+]2)o1 ZINC000235984269 537908546 /nfs/dbraw/zinc/90/85/46/537908546.db2.gz CUZPKOFFFOQLCM-UHFFFAOYSA-N 1 2 245.257 3.216 20 0 BGADLO Cc1cc([NH2+]C2Cc3ccccc3C2)ccc1N ZINC000235994140 632861914 /nfs/dbraw/zinc/86/19/14/632861914.db2.gz CFUGTPMHWWVWEZ-UHFFFAOYSA-N 1 2 238.334 3.157 20 0 BGADLO Cc1cnc(C[NH2+]Cc2coc3ccccc23)o1 ZINC000236001505 537908001 /nfs/dbraw/zinc/90/80/01/537908001.db2.gz YHOPANIQIIVQIL-UHFFFAOYSA-N 1 2 242.278 3.019 20 0 BGADLO Clc1ccc(C[NH+]2CCCCC2)c(Cl)n1 ZINC000236058936 384164572 /nfs/dbraw/zinc/16/45/72/384164572.db2.gz WMUBNBKFKDFBBK-UHFFFAOYSA-N 1 2 245.153 3.374 20 0 BGADLO Fc1ccc2[nH+]c(NCc3ccccc3)[nH]c2c1 ZINC000236189177 385061635 /nfs/dbraw/zinc/06/16/35/385061635.db2.gz BJNJQJVTVSVESD-UHFFFAOYSA-N 1 2 241.269 3.314 20 0 BGADLO Fc1ccc2[nH+]c(NCc3cccs3)[nH]c2c1 ZINC000236190586 387877487 /nfs/dbraw/zinc/87/74/87/387877487.db2.gz KWEDMMLEAHOBPV-UHFFFAOYSA-N 1 2 247.298 3.376 20 0 BGADLO Fc1ccc2[nH+]c(NCc3ccsc3)[nH]c2c1 ZINC000236191463 387876886 /nfs/dbraw/zinc/87/68/86/387876886.db2.gz QITJIDLKXPUMLJ-UHFFFAOYSA-N 1 2 247.298 3.376 20 0 BGADLO c1nc(C[NH2+]Cc2ccc3ccccc3c2)co1 ZINC000236572099 388380806 /nfs/dbraw/zinc/38/08/06/388380806.db2.gz IUPXQVWSHFKQJG-UHFFFAOYSA-N 1 2 238.290 3.118 20 0 BGADLO CC(C)(C)c1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000236589891 388380258 /nfs/dbraw/zinc/38/02/58/388380258.db2.gz FBGLEPDWVNUSEB-UHFFFAOYSA-N 1 2 244.338 3.262 20 0 BGADLO c1oc2ccccc2c1CNc1cccc[nH+]1 ZINC000236605776 387899267 /nfs/dbraw/zinc/89/92/67/387899267.db2.gz WXHOHZJMJFBBMF-UHFFFAOYSA-N 1 2 224.263 3.440 20 0 BGADLO CC[C@](C)([NH2+]CCC(C)C)c1nccs1 ZINC000236920825 388386937 /nfs/dbraw/zinc/38/69/37/388386937.db2.gz JISMBJQNAMKTHU-LBPRGKRZSA-N 1 2 226.389 3.404 20 0 BGADLO C[C@@H]([NH2+]Cc1cocn1)c1ccccc1Cl ZINC000237367636 388393722 /nfs/dbraw/zinc/39/37/22/388393722.db2.gz HEPFYIZPZTYTIX-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO C[C@@H](CNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000237446233 388395160 /nfs/dbraw/zinc/39/51/60/388395160.db2.gz JLIBIVVRHNDRLR-NSHDSACASA-N 1 2 230.286 3.436 20 0 BGADLO C[C@H]([NH2+]Cc1cocn1)c1ccccc1Cl ZINC000237522021 388396149 /nfs/dbraw/zinc/39/61/49/388396149.db2.gz HEPFYIZPZTYTIX-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO C[C@H](CNc1cccc[nH+]1)c1ccc(F)cc1 ZINC000237610492 388397152 /nfs/dbraw/zinc/39/71/52/388397152.db2.gz JLIBIVVRHNDRLR-LLVKDONJSA-N 1 2 230.286 3.436 20 0 BGADLO CC(C)c1ccccc1C[NH2+]CC(F)F ZINC000238166956 343251535 /nfs/dbraw/zinc/25/15/35/343251535.db2.gz ZZVAZVDQUSKOBS-UHFFFAOYSA-N 1 2 213.271 3.165 20 0 BGADLO c1nc(NC2CCCC2)cc(NC2CCCC2)[nH+]1 ZINC000243148955 384883980 /nfs/dbraw/zinc/88/39/80/384883980.db2.gz JNICISSTSKXMSN-UHFFFAOYSA-N 1 2 246.358 3.186 20 0 BGADLO CCCCCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000243422536 384884971 /nfs/dbraw/zinc/88/49/71/384884971.db2.gz MULHDDMAFHTIPD-UHFFFAOYSA-N 1 2 248.374 3.069 20 0 BGADLO CCCCCNc1cc(N2CCCCC2)nc[nH+]1 ZINC000243422536 384884963 /nfs/dbraw/zinc/88/49/63/384884963.db2.gz MULHDDMAFHTIPD-UHFFFAOYSA-N 1 2 248.374 3.069 20 0 BGADLO C[C@@H]1CC[N@@H+](CC(F)F)[C@H]1c1cccc(F)c1 ZINC000245410399 537890544 /nfs/dbraw/zinc/89/05/44/537890544.db2.gz QVFQGAUHXMRNDU-NOZJJQNGSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@@H]1CC[N@H+](CC(F)F)[C@H]1c1cccc(F)c1 ZINC000245410399 537890534 /nfs/dbraw/zinc/89/05/34/537890534.db2.gz QVFQGAUHXMRNDU-NOZJJQNGSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@H]1CC[N@@H+](CC(F)F)[C@H]1c1cccc(F)c1 ZINC000245410400 537890282 /nfs/dbraw/zinc/89/02/82/537890282.db2.gz QVFQGAUHXMRNDU-TVQRCGJNSA-N 1 2 243.272 3.474 20 0 BGADLO C[C@H]1CC[N@H+](CC(F)F)[C@H]1c1cccc(F)c1 ZINC000245410400 537890274 /nfs/dbraw/zinc/89/02/74/537890274.db2.gz QVFQGAUHXMRNDU-TVQRCGJNSA-N 1 2 243.272 3.474 20 0 BGADLO Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000245428583 387946158 /nfs/dbraw/zinc/94/61/58/387946158.db2.gz MPWAJKIQGIKHOS-ABAIWWIYSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cnc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)o1 ZINC000245428583 387946155 /nfs/dbraw/zinc/94/61/55/387946155.db2.gz MPWAJKIQGIKHOS-ABAIWWIYSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cnc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)o1 ZINC000245428584 387946553 /nfs/dbraw/zinc/94/65/53/387946553.db2.gz MPWAJKIQGIKHOS-NHYWBVRUSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cnc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)o1 ZINC000245428584 387946550 /nfs/dbraw/zinc/94/65/50/387946550.db2.gz MPWAJKIQGIKHOS-NHYWBVRUSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)no1 ZINC000245431814 387944998 /nfs/dbraw/zinc/94/49/98/387944998.db2.gz OHMVOPGKRLWQOW-ABAIWWIYSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)no1 ZINC000245431814 387944996 /nfs/dbraw/zinc/94/49/96/387944996.db2.gz OHMVOPGKRLWQOW-ABAIWWIYSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)no1 ZINC000245431816 387945852 /nfs/dbraw/zinc/94/58/52/387945852.db2.gz OHMVOPGKRLWQOW-NHYWBVRUSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1cc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)no1 ZINC000245431816 387945848 /nfs/dbraw/zinc/94/58/48/387945848.db2.gz OHMVOPGKRLWQOW-NHYWBVRUSA-N 1 2 242.322 3.176 20 0 BGADLO CC[C@@H]1C[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)CCO1 ZINC000245500759 411277173 /nfs/dbraw/zinc/27/71/73/411277173.db2.gz BGSMICRXEQJIOL-BZPMIXESSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1C[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)CCO1 ZINC000245500759 411277168 /nfs/dbraw/zinc/27/71/68/411277168.db2.gz BGSMICRXEQJIOL-BZPMIXESSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1C[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)CCO1 ZINC000245500761 411277693 /nfs/dbraw/zinc/27/76/93/411277693.db2.gz BGSMICRXEQJIOL-SCRDCRAPSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1C[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)CCO1 ZINC000245500761 411277690 /nfs/dbraw/zinc/27/76/90/411277690.db2.gz BGSMICRXEQJIOL-SCRDCRAPSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1C[N@@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)CCO1 ZINC000245500763 411277704 /nfs/dbraw/zinc/27/77/04/411277704.db2.gz BGSMICRXEQJIOL-YRGRVCCFSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1C[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)CCO1 ZINC000245500763 411277700 /nfs/dbraw/zinc/27/77/00/411277700.db2.gz BGSMICRXEQJIOL-YRGRVCCFSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1COCC[N@H+]1Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000245512536 387954310 /nfs/dbraw/zinc/95/43/10/387954310.db2.gz AFPQJNGVAIRNFA-BZPMIXESSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000245512536 387954304 /nfs/dbraw/zinc/95/43/04/387954304.db2.gz AFPQJNGVAIRNFA-BZPMIXESSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1COCC[N@H+]1Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000245512537 387952969 /nfs/dbraw/zinc/95/29/69/387952969.db2.gz AFPQJNGVAIRNFA-SCRDCRAPSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000245512537 387952964 /nfs/dbraw/zinc/95/29/64/387952964.db2.gz AFPQJNGVAIRNFA-SCRDCRAPSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1COCC[N@H+]1Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000245512538 387953472 /nfs/dbraw/zinc/95/34/72/387953472.db2.gz AFPQJNGVAIRNFA-YRGRVCCFSA-N 1 2 249.354 3.014 20 0 BGADLO CC[C@@H]1COCC[N@@H+]1Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000245512538 387953470 /nfs/dbraw/zinc/95/34/70/387953470.db2.gz AFPQJNGVAIRNFA-YRGRVCCFSA-N 1 2 249.354 3.014 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000245544765 387957908 /nfs/dbraw/zinc/95/79/08/387957908.db2.gz SHRULJGKYDCMDS-CIQGVGRVSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000245544765 387957904 /nfs/dbraw/zinc/95/79/04/387957904.db2.gz SHRULJGKYDCMDS-CIQGVGRVSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000245544767 387957753 /nfs/dbraw/zinc/95/77/53/387957753.db2.gz SHRULJGKYDCMDS-FMCLSXCISA-N 1 2 249.354 3.012 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000245544767 387957750 /nfs/dbraw/zinc/95/77/50/387957750.db2.gz SHRULJGKYDCMDS-FMCLSXCISA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000245544768 387957843 /nfs/dbraw/zinc/95/78/43/387957843.db2.gz SHRULJGKYDCMDS-GFQSEFKGSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)o1 ZINC000245544768 387957838 /nfs/dbraw/zinc/95/78/38/387957838.db2.gz SHRULJGKYDCMDS-GFQSEFKGSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000245544770 387957873 /nfs/dbraw/zinc/95/78/73/387957873.db2.gz SHRULJGKYDCMDS-HKUMRIAESA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)o1 ZINC000245544770 387957870 /nfs/dbraw/zinc/95/78/70/387957870.db2.gz SHRULJGKYDCMDS-HKUMRIAESA-N 1 2 249.354 3.012 20 0 BGADLO Cc1ccc(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c[nH+]1 ZINC000245678206 387971966 /nfs/dbraw/zinc/97/19/66/387971966.db2.gz IRPRKZBXEGOGIA-BFHYXJOUSA-N 1 2 246.354 3.006 20 0 BGADLO Cc1ccc(N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c[nH+]1 ZINC000245678211 387970908 /nfs/dbraw/zinc/97/09/08/387970908.db2.gz IRPRKZBXEGOGIA-MGPQQGTHSA-N 1 2 246.354 3.006 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC[C@H](C)CC1 ZINC000245684343 388427092 /nfs/dbraw/zinc/42/70/92/388427092.db2.gz PMLHHAGYRYHZKS-UMSPYCQHSA-N 1 2 247.342 3.090 20 0 BGADLO CC(C)c1nc(N2CC[C@H](C)[C@H](C)C2)cc[nH+]1 ZINC000245712951 388600604 /nfs/dbraw/zinc/60/06/04/388600604.db2.gz FVTAOXJCVFGSRI-NWDGAFQWSA-N 1 2 233.359 3.082 20 0 BGADLO CC(C)c1nc(N2CC[C@@H](C)[C@H](C)C2)cc[nH+]1 ZINC000245712953 388600614 /nfs/dbraw/zinc/60/06/14/388600614.db2.gz FVTAOXJCVFGSRI-VXGBXAGGSA-N 1 2 233.359 3.082 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@H](C)[C@H]2C)o1 ZINC000245725293 136272384 /nfs/dbraw/zinc/27/23/84/136272384.db2.gz ISPQYOZNLXKCCI-BYNQJWBRSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)o1 ZINC000245725293 136272383 /nfs/dbraw/zinc/27/23/83/136272383.db2.gz ISPQYOZNLXKCCI-BYNQJWBRSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)o1 ZINC000245725297 136272452 /nfs/dbraw/zinc/27/24/52/136272452.db2.gz ISPQYOZNLXKCCI-NMKXLXIOSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)o1 ZINC000245725297 136272451 /nfs/dbraw/zinc/27/24/51/136272451.db2.gz ISPQYOZNLXKCCI-NMKXLXIOSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)o1 ZINC000245725306 136272416 /nfs/dbraw/zinc/27/24/16/136272416.db2.gz ISPQYOZNLXKCCI-UHXUPSOCSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)o1 ZINC000245725306 136272415 /nfs/dbraw/zinc/27/24/15/136272415.db2.gz ISPQYOZNLXKCCI-UHXUPSOCSA-N 1 2 249.354 3.012 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(C)[nH+]1 ZINC000245852035 387988118 /nfs/dbraw/zinc/98/81/18/387988118.db2.gz CEJZLCWXCWRUAK-IMRBUKKESA-N 1 2 244.338 3.073 20 0 BGADLO CC(C)c1nc(N2CCC[C@H]3CCC[C@H]32)cc[nH+]1 ZINC000246184574 388019020 /nfs/dbraw/zinc/01/90/20/388019020.db2.gz LFHCBVHKJFXUEH-CHWSQXEVSA-N 1 2 245.370 3.369 20 0 BGADLO CC(C)c1nc(N2CCC[C@@H]3CCC[C@H]32)cc[nH+]1 ZINC000246184579 388019162 /nfs/dbraw/zinc/01/91/62/388019162.db2.gz LFHCBVHKJFXUEH-QWHCGFSZSA-N 1 2 245.370 3.369 20 0 BGADLO CC(C)c1nc(N2CCC[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000246240632 388022540 /nfs/dbraw/zinc/02/25/40/388022540.db2.gz UTAYMQIVGAHQCF-NEPJUHHUSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N2CCC[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000246240642 388023022 /nfs/dbraw/zinc/02/30/22/388023022.db2.gz UTAYMQIVGAHQCF-RYUDHWBXSA-N 1 2 233.359 3.225 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2nccs2)[C@H]1c1ccccc1 ZINC000246462601 359107166 /nfs/dbraw/zinc/10/71/66/359107166.db2.gz FOHOBPPPVFXEQI-BXUZGUMPSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@@H]1C[N@H+](Cc2nccs2)[C@H]1c1ccccc1 ZINC000246462601 359107161 /nfs/dbraw/zinc/10/71/61/359107161.db2.gz FOHOBPPPVFXEQI-BXUZGUMPSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@H]1C[N@@H+](Cc2nccs2)[C@H]1c1ccccc1 ZINC000246462612 359107363 /nfs/dbraw/zinc/10/73/63/359107363.db2.gz FOHOBPPPVFXEQI-SMDDNHRTSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@H]1C[N@H+](Cc2nccs2)[C@H]1c1ccccc1 ZINC000246462612 359107361 /nfs/dbraw/zinc/10/73/61/359107361.db2.gz FOHOBPPPVFXEQI-SMDDNHRTSA-N 1 2 244.363 3.336 20 0 BGADLO c1cc([C@@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)cs1 ZINC000246651366 359154655 /nfs/dbraw/zinc/15/46/55/359154655.db2.gz PKQAVRYEJBJNTO-KGLIPLIRSA-N 1 2 249.379 3.230 20 0 BGADLO c1cc([C@@H]2C[N@H+]([C@@H]3C=CCCC3)CCO2)cs1 ZINC000246651366 359154651 /nfs/dbraw/zinc/15/46/51/359154651.db2.gz PKQAVRYEJBJNTO-KGLIPLIRSA-N 1 2 249.379 3.230 20 0 BGADLO c1cc([C@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)cs1 ZINC000246651376 359154471 /nfs/dbraw/zinc/15/44/71/359154471.db2.gz PKQAVRYEJBJNTO-ZIAGYGMSSA-N 1 2 249.379 3.230 20 0 BGADLO c1cc([C@H]2C[N@H+]([C@@H]3C=CCCC3)CCO2)cs1 ZINC000246651376 359154467 /nfs/dbraw/zinc/15/44/67/359154467.db2.gz PKQAVRYEJBJNTO-ZIAGYGMSSA-N 1 2 249.379 3.230 20 0 BGADLO C[C@@H]1C[N@@H+](CC(F)F)CC[C@H]1c1ccccc1 ZINC000246952534 342997232 /nfs/dbraw/zinc/99/72/32/342997232.db2.gz REZLJQFMBFZTSM-DGCLKSJQSA-N 1 2 239.309 3.377 20 0 BGADLO C[C@@H]1C[N@H+](CC(F)F)CC[C@H]1c1ccccc1 ZINC000246952534 342997231 /nfs/dbraw/zinc/99/72/31/342997231.db2.gz REZLJQFMBFZTSM-DGCLKSJQSA-N 1 2 239.309 3.377 20 0 BGADLO C[C@H]1C[N@@H+](CC(F)F)CC[C@H]1c1ccccc1 ZINC000246952556 342997274 /nfs/dbraw/zinc/99/72/74/342997274.db2.gz REZLJQFMBFZTSM-WCQYABFASA-N 1 2 239.309 3.377 20 0 BGADLO C[C@H]1C[N@H+](CC(F)F)CC[C@H]1c1ccccc1 ZINC000246952556 342997273 /nfs/dbraw/zinc/99/72/73/342997273.db2.gz REZLJQFMBFZTSM-WCQYABFASA-N 1 2 239.309 3.377 20 0 BGADLO Cc1ccc([C@@H]2COCC[N@H+]2[C@@H]2C=CCCC2)o1 ZINC000247042528 359189570 /nfs/dbraw/zinc/18/95/70/359189570.db2.gz JBLAGDYNESAZBM-KGLIPLIRSA-N 1 2 247.338 3.070 20 0 BGADLO Cc1ccc([C@@H]2COCC[N@@H+]2[C@@H]2C=CCCC2)o1 ZINC000247042528 359189568 /nfs/dbraw/zinc/18/95/68/359189568.db2.gz JBLAGDYNESAZBM-KGLIPLIRSA-N 1 2 247.338 3.070 20 0 BGADLO Cc1ccc([C@H]2COCC[N@H+]2[C@@H]2C=CCCC2)o1 ZINC000247042567 359190114 /nfs/dbraw/zinc/19/01/14/359190114.db2.gz JBLAGDYNESAZBM-ZIAGYGMSSA-N 1 2 247.338 3.070 20 0 BGADLO Cc1ccc([C@H]2COCC[N@@H+]2[C@@H]2C=CCCC2)o1 ZINC000247042567 359190111 /nfs/dbraw/zinc/19/01/11/359190111.db2.gz JBLAGDYNESAZBM-ZIAGYGMSSA-N 1 2 247.338 3.070 20 0 BGADLO c1[nH+]c(SCc2ccccn2)n2ccccc12 ZINC000247559788 359234096 /nfs/dbraw/zinc/23/40/96/359234096.db2.gz YJXZPQQMPFQBJG-UHFFFAOYSA-N 1 2 241.319 3.022 20 0 BGADLO CC[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000247671206 359239969 /nfs/dbraw/zinc/23/99/69/359239969.db2.gz PURXVQFJKVJXAT-MFKMUULPSA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000247671206 359239963 /nfs/dbraw/zinc/23/99/63/359239963.db2.gz PURXVQFJKVJXAT-MFKMUULPSA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000247671210 359239994 /nfs/dbraw/zinc/23/99/94/359239994.db2.gz PURXVQFJKVJXAT-ZWNOBZJWSA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@@H+]1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000247671210 359239988 /nfs/dbraw/zinc/23/99/88/359239988.db2.gz PURXVQFJKVJXAT-ZWNOBZJWSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ccon2)[C@@H](c2ccco2)C1 ZINC000247689397 359240638 /nfs/dbraw/zinc/24/06/38/359240638.db2.gz VRJRLGPGJOJFQF-DGCLKSJQSA-N 1 2 246.310 3.241 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ccon2)[C@@H](c2ccco2)C1 ZINC000247689397 359240635 /nfs/dbraw/zinc/24/06/35/359240635.db2.gz VRJRLGPGJOJFQF-DGCLKSJQSA-N 1 2 246.310 3.241 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2ccon2)[C@@H](c2ccco2)C1 ZINC000247689399 359240535 /nfs/dbraw/zinc/24/05/35/359240535.db2.gz VRJRLGPGJOJFQF-WCQYABFASA-N 1 2 246.310 3.241 20 0 BGADLO C[C@H]1CC[N@H+](Cc2ccon2)[C@@H](c2ccco2)C1 ZINC000247689399 359240533 /nfs/dbraw/zinc/24/05/33/359240533.db2.gz VRJRLGPGJOJFQF-WCQYABFASA-N 1 2 246.310 3.241 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)[C@@H](C)CO1 ZINC000247963240 177302171 /nfs/dbraw/zinc/30/21/71/177302171.db2.gz PHWSNTRVJZJDQQ-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)[C@@H](C)CO1 ZINC000247963240 177302170 /nfs/dbraw/zinc/30/21/70/177302170.db2.gz PHWSNTRVJZJDQQ-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)s2)[C@@H](C)CO1 ZINC000247963244 177263640 /nfs/dbraw/zinc/26/36/40/177263640.db2.gz PHWSNTRVJZJDQQ-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[N@H+](Cc2ccc(Cl)s2)[C@@H](C)CO1 ZINC000247963244 177263639 /nfs/dbraw/zinc/26/36/39/177263639.db2.gz PHWSNTRVJZJDQQ-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO c1nc(C[N@@H+](Cc2ccccc2)C2CC2)cs1 ZINC000247991621 183395875 /nfs/dbraw/zinc/39/58/75/183395875.db2.gz MYXNRBBGVPDTDN-UHFFFAOYSA-N 1 2 244.363 3.308 20 0 BGADLO c1nc(C[N@H+](Cc2ccccc2)C2CC2)cs1 ZINC000247991621 183395872 /nfs/dbraw/zinc/39/58/72/183395872.db2.gz MYXNRBBGVPDTDN-UHFFFAOYSA-N 1 2 244.363 3.308 20 0 BGADLO C[N@@H+](Cc1ccccn1)Cc1ccccc1Cl ZINC000248029635 359251727 /nfs/dbraw/zinc/25/17/27/359251727.db2.gz HQVBMIMAMWDTFR-UHFFFAOYSA-N 1 2 246.741 3.367 20 0 BGADLO C[N@H+](Cc1ccccn1)Cc1ccccc1Cl ZINC000248029635 359251719 /nfs/dbraw/zinc/25/17/19/359251719.db2.gz HQVBMIMAMWDTFR-UHFFFAOYSA-N 1 2 246.741 3.367 20 0 BGADLO C[N@@H+](Cc1cscn1)[C@H]1CCc2ccccc21 ZINC000248107708 386744721 /nfs/dbraw/zinc/74/47/21/386744721.db2.gz JBTPEOCXYFZDHG-AWEZNQCLSA-N 1 2 244.363 3.262 20 0 BGADLO C[N@H+](Cc1cscn1)[C@H]1CCc2ccccc21 ZINC000248107708 386744715 /nfs/dbraw/zinc/74/47/15/386744715.db2.gz JBTPEOCXYFZDHG-AWEZNQCLSA-N 1 2 244.363 3.262 20 0 BGADLO C[N@@H+](Cc1cscn1)[C@@H]1CCc2ccccc21 ZINC000248107710 386743150 /nfs/dbraw/zinc/74/31/50/386743150.db2.gz JBTPEOCXYFZDHG-CQSZACIVSA-N 1 2 244.363 3.262 20 0 BGADLO C[N@H+](Cc1cscn1)[C@@H]1CCc2ccccc21 ZINC000248107710 386743144 /nfs/dbraw/zinc/74/31/44/386743144.db2.gz JBTPEOCXYFZDHG-CQSZACIVSA-N 1 2 244.363 3.262 20 0 BGADLO C[N@@H+](Cc1cccnc1)Cc1ccccc1Cl ZINC000248135925 359255545 /nfs/dbraw/zinc/25/55/45/359255545.db2.gz RQKRNMFHOVTBMT-UHFFFAOYSA-N 1 2 246.741 3.367 20 0 BGADLO C[N@H+](Cc1cccnc1)Cc1ccccc1Cl ZINC000248135925 359255541 /nfs/dbraw/zinc/25/55/41/359255541.db2.gz RQKRNMFHOVTBMT-UHFFFAOYSA-N 1 2 246.741 3.367 20 0 BGADLO CC[N@@H+](Cc1cscn1)Cc1ccccc1 ZINC000248268707 350858339 /nfs/dbraw/zinc/85/83/39/350858339.db2.gz UQSKIQLXKYQOCY-UHFFFAOYSA-N 1 2 232.352 3.165 20 0 BGADLO CC[N@H+](Cc1cscn1)Cc1ccccc1 ZINC000248268707 350858336 /nfs/dbraw/zinc/85/83/36/350858336.db2.gz UQSKIQLXKYQOCY-UHFFFAOYSA-N 1 2 232.352 3.165 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cscn2)[C@H]1c1ccccc1 ZINC000248359161 359270720 /nfs/dbraw/zinc/27/07/20/359270720.db2.gz RPWJQMBNQFTIAT-BXUZGUMPSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cscn2)[C@H]1c1ccccc1 ZINC000248359161 359270713 /nfs/dbraw/zinc/27/07/13/359270713.db2.gz RPWJQMBNQFTIAT-BXUZGUMPSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@H]1C[N@@H+](Cc2cscn2)[C@H]1c1ccccc1 ZINC000248359162 359269825 /nfs/dbraw/zinc/26/98/25/359269825.db2.gz RPWJQMBNQFTIAT-SMDDNHRTSA-N 1 2 244.363 3.336 20 0 BGADLO C[C@H]1C[N@H+](Cc2cscn2)[C@H]1c1ccccc1 ZINC000248359162 359269822 /nfs/dbraw/zinc/26/98/22/359269822.db2.gz RPWJQMBNQFTIAT-SMDDNHRTSA-N 1 2 244.363 3.336 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000248549709 135004110 /nfs/dbraw/zinc/00/41/10/135004110.db2.gz KDOJVIPAVIEASP-PJXYFTJBSA-N 1 2 246.354 3.401 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)[C@@H](C)CO1 ZINC000248737616 388692358 /nfs/dbraw/zinc/69/23/58/388692358.db2.gz OPOSASZDYARFKC-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)[C@@H](C)CO1 ZINC000248737616 388692355 /nfs/dbraw/zinc/69/23/55/388692355.db2.gz OPOSASZDYARFKC-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)[C@@H](C)CO1 ZINC000248737620 388691887 /nfs/dbraw/zinc/69/18/87/388691887.db2.gz OPOSASZDYARFKC-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[N@H+](Cc2cc(Cl)cs2)[C@@H](C)CO1 ZINC000248737620 388691884 /nfs/dbraw/zinc/69/18/84/388691884.db2.gz OPOSASZDYARFKC-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2sccc2Cl)[C@@H](C)CO1 ZINC000248822788 388694184 /nfs/dbraw/zinc/69/41/84/388694184.db2.gz YFMCGNWHOWMIJM-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@H+](Cc2sccc2Cl)[C@@H](C)CO1 ZINC000248822788 388694183 /nfs/dbraw/zinc/69/41/83/388694183.db2.gz YFMCGNWHOWMIJM-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[N@@H+](Cc2sccc2Cl)[C@@H](C)CO1 ZINC000248822791 388694010 /nfs/dbraw/zinc/69/40/10/388694010.db2.gz YFMCGNWHOWMIJM-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[N@H+](Cc2sccc2Cl)[C@@H](C)CO1 ZINC000248822791 388694008 /nfs/dbraw/zinc/69/40/08/388694008.db2.gz YFMCGNWHOWMIJM-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2cocn2)[C@@H](c2ccco2)C1 ZINC000249298382 388717089 /nfs/dbraw/zinc/71/70/89/388717089.db2.gz KYBVPDNOMIEGFN-DGCLKSJQSA-N 1 2 246.310 3.241 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2cocn2)[C@@H](c2ccco2)C1 ZINC000249298382 388717086 /nfs/dbraw/zinc/71/70/86/388717086.db2.gz KYBVPDNOMIEGFN-DGCLKSJQSA-N 1 2 246.310 3.241 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2cocn2)[C@@H](c2ccco2)C1 ZINC000249298386 388716507 /nfs/dbraw/zinc/71/65/07/388716507.db2.gz KYBVPDNOMIEGFN-WCQYABFASA-N 1 2 246.310 3.241 20 0 BGADLO C[C@H]1CC[N@H+](Cc2cocn2)[C@@H](c2ccco2)C1 ZINC000249298386 388716506 /nfs/dbraw/zinc/71/65/06/388716506.db2.gz KYBVPDNOMIEGFN-WCQYABFASA-N 1 2 246.310 3.241 20 0 BGADLO CC[N@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000249405449 135037918 /nfs/dbraw/zinc/03/79/18/135037918.db2.gz UHNNHBXJFJFMTK-MFKMUULPSA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@@H+]1C[C@@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000249405449 135037917 /nfs/dbraw/zinc/03/79/17/135037917.db2.gz UHNNHBXJFJFMTK-MFKMUULPSA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000249405451 135037922 /nfs/dbraw/zinc/03/79/22/135037922.db2.gz UHNNHBXJFJFMTK-ZWNOBZJWSA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000249405451 135037921 /nfs/dbraw/zinc/03/79/21/135037921.db2.gz UHNNHBXJFJFMTK-ZWNOBZJWSA-N 1 2 239.746 3.122 20 0 BGADLO CCc1cc(N[C@H]2C[C@H](C)C[C@H](C)C2)nc[nH+]1 ZINC000250497877 369537503 /nfs/dbraw/zinc/53/75/03/369537503.db2.gz DGYUPFUXVIOQPW-PJXYFTJBSA-N 1 2 233.359 3.276 20 0 BGADLO CCc1cc(N[C@@H]2CCC[C@H](C)[C@H]2C)nc[nH+]1 ZINC000250525918 369539348 /nfs/dbraw/zinc/53/93/48/369539348.db2.gz ROMSKRSBOVSUEQ-DMDPSCGWSA-N 1 2 233.359 3.276 20 0 BGADLO CCc1cc(N[C@@H]2CCC[C@@H](C)[C@H]2C)nc[nH+]1 ZINC000250525922 369539130 /nfs/dbraw/zinc/53/91/30/369539130.db2.gz ROMSKRSBOVSUEQ-NQBHXWOUSA-N 1 2 233.359 3.276 20 0 BGADLO CCc1cc(N[C@@H]2CC[C@H](C)C[C@H]2C)nc[nH+]1 ZINC000250535043 369542174 /nfs/dbraw/zinc/54/21/74/369542174.db2.gz WQXVGALCHZHHMD-DMDPSCGWSA-N 1 2 233.359 3.276 20 0 BGADLO CCc1cc(N[C@@H]2CC[C@@H](C)C[C@H]2C)nc[nH+]1 ZINC000250535049 369542623 /nfs/dbraw/zinc/54/26/23/369542623.db2.gz WQXVGALCHZHHMD-NQBHXWOUSA-N 1 2 233.359 3.276 20 0 BGADLO Cc1nc(N[C@H]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000250842742 135059603 /nfs/dbraw/zinc/05/96/03/135059603.db2.gz WPQUXAXNGBHHLX-IAZYJMLFSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@@H](C)C[C@H]2C)cc[nH+]1 ZINC000250843030 135060179 /nfs/dbraw/zinc/06/01/79/135060179.db2.gz XQOJWBGRBLQIMI-CKYFFXLPSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@H](C)C[C@H]2C)cc[nH+]1 ZINC000250843031 135060109 /nfs/dbraw/zinc/06/01/09/135060109.db2.gz XQOJWBGRBLQIMI-HOSYDEDBSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@@H](C)C[C@H]2C)nc[nH+]1 ZINC000250959086 178183109 /nfs/dbraw/zinc/18/31/09/178183109.db2.gz FQNYUJKZJWPCOW-CKYFFXLPSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@H](C)C[C@H]2C)nc[nH+]1 ZINC000250959088 178183127 /nfs/dbraw/zinc/18/31/27/178183127.db2.gz FQNYUJKZJWPCOW-HOSYDEDBSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(N[C@H]2C[C@H](C)C[C@H](C)C2)nc[nH+]1 ZINC000250971959 135061133 /nfs/dbraw/zinc/06/11/33/135061133.db2.gz WTRFRUDJCJYQIL-IAZYJMLFSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(C)[nH+]1 ZINC000250976679 487745194 /nfs/dbraw/zinc/74/51/94/487745194.db2.gz IFTHOZCLNMBTTK-PTEHBNRSSA-N 1 2 234.343 3.066 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)C[C@H](C)O1 ZINC000251727196 644818996 /nfs/dbraw/zinc/81/89/96/644818996.db2.gz CGFZVNLTDJGXPY-DABQJJPHSA-N 1 2 248.370 3.121 20 0 BGADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000251727196 644818993 /nfs/dbraw/zinc/81/89/93/644818993.db2.gz CGFZVNLTDJGXPY-DABQJJPHSA-N 1 2 248.370 3.121 20 0 BGADLO C[C@H]1C[C@H](Nc2cccc[nH+]2)C[C@@H](C)C1 ZINC000252185469 135086677 /nfs/dbraw/zinc/08/66/77/135086677.db2.gz UFIMLRTWEIBJGV-GDNZZTSVSA-N 1 2 204.317 3.318 20 0 BGADLO C[C@@H]1CCC[C@@H](Nc2cccc[nH+]2)[C@H]1C ZINC000252196979 384918434 /nfs/dbraw/zinc/91/84/34/384918434.db2.gz SNRFBBUZLUCNOB-GRYCIOLGSA-N 1 2 204.317 3.318 20 0 BGADLO C[C@@H]1CCC[C@H](Nc2cccc[nH+]2)[C@H]1C ZINC000252196981 135086959 /nfs/dbraw/zinc/08/69/59/135086959.db2.gz SNRFBBUZLUCNOB-WOPDTQHZSA-N 1 2 204.317 3.318 20 0 BGADLO CCc1cc(N[C@H]2CC[C@H](C)CC2)nc[nH+]1 ZINC000252962414 347805631 /nfs/dbraw/zinc/80/56/31/347805631.db2.gz PBCKDXSKQSVUDW-UMSPYCQHSA-N 1 2 219.332 3.030 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@H+]1CCO[C@H](C)C1 ZINC000253600965 176316456 /nfs/dbraw/zinc/31/64/56/176316456.db2.gz FJCYEJJFJWLULL-GHMZBOCLSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@@H+]1CCO[C@H](C)C1 ZINC000253600965 176316454 /nfs/dbraw/zinc/31/64/54/176316454.db2.gz FJCYEJJFJWLULL-GHMZBOCLSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@H+]1CCO[C@@H](C)C1 ZINC000253600966 177274870 /nfs/dbraw/zinc/27/48/70/177274870.db2.gz FJCYEJJFJWLULL-WDEREUQCSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@@H+]1CCO[C@@H](C)C1 ZINC000253600966 177274869 /nfs/dbraw/zinc/27/48/69/177274869.db2.gz FJCYEJJFJWLULL-WDEREUQCSA-N 1 2 239.746 3.122 20 0 BGADLO C/C=C\CSCc1cn2cccc(C)c2[nH+]1 ZINC000254929956 388866030 /nfs/dbraw/zinc/86/60/30/388866030.db2.gz KPTOUJJXLSXOOG-ARJAWSKDSA-N 1 2 232.352 3.452 20 0 BGADLO C[N@@H+](C/C=C\c1ccccc1)Cc1cscn1 ZINC000255125265 135128520 /nfs/dbraw/zinc/12/85/20/135128520.db2.gz YFGSVTUJKMYZDB-YVMONPNESA-N 1 2 244.363 3.288 20 0 BGADLO C[N@H+](C/C=C\c1ccccc1)Cc1cscn1 ZINC000255125265 135128518 /nfs/dbraw/zinc/12/85/18/135128518.db2.gz YFGSVTUJKMYZDB-YVMONPNESA-N 1 2 244.363 3.288 20 0 BGADLO Cc1cc(C[N@@H+](C)C/C=C\c2ccccc2)no1 ZINC000255144277 135128253 /nfs/dbraw/zinc/12/82/53/135128253.db2.gz DLILFLAGXYAEDE-TWGQIWQCSA-N 1 2 242.322 3.128 20 0 BGADLO Cc1cc(C[N@H+](C)C/C=C\c2ccccc2)no1 ZINC000255144277 135128252 /nfs/dbraw/zinc/12/82/52/135128252.db2.gz DLILFLAGXYAEDE-TWGQIWQCSA-N 1 2 242.322 3.128 20 0 BGADLO C[C@@H]1[C@H](C)SCC[N@H+]1C/C(Cl)=C\Cl ZINC000255177741 643570761 /nfs/dbraw/zinc/57/07/61/643570761.db2.gz AVXNIWYLRJVBTR-JGIWROLQSA-N 1 2 240.199 3.131 20 0 BGADLO C[C@@H]1[C@H](C)SCC[N@@H+]1C/C(Cl)=C\Cl ZINC000255177741 643570757 /nfs/dbraw/zinc/57/07/57/643570757.db2.gz AVXNIWYLRJVBTR-JGIWROLQSA-N 1 2 240.199 3.131 20 0 BGADLO C[C@@H]1SCC[N@@H+](C/C(Cl)=C\Cl)[C@H]1C ZINC000255177744 643571240 /nfs/dbraw/zinc/57/12/40/643571240.db2.gz AVXNIWYLRJVBTR-LSUQNPSCSA-N 1 2 240.199 3.131 20 0 BGADLO C[C@@H]1SCC[N@H+](C/C(Cl)=C\Cl)[C@H]1C ZINC000255177744 643571238 /nfs/dbraw/zinc/57/12/38/643571238.db2.gz AVXNIWYLRJVBTR-LSUQNPSCSA-N 1 2 240.199 3.131 20 0 BGADLO Cc1cc(NC(=O)/C=C\C2CCCCC2)cc[nH+]1 ZINC000255228372 641171691 /nfs/dbraw/zinc/17/16/91/641171691.db2.gz ZAPZGGLFUYHHPZ-FPLPWBNLSA-N 1 2 244.338 3.465 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)/C=C\c1ccccc1 ZINC000255304285 384476531 /nfs/dbraw/zinc/47/65/31/384476531.db2.gz HDYPAJJXAVRHRO-FPLPWBNLSA-N 1 2 238.290 3.042 20 0 BGADLO Cc1cc(NC(=O)/C=C\c2ccccc2)cc[nH+]1 ZINC000255360367 384493756 /nfs/dbraw/zinc/49/37/56/384493756.db2.gz DXUDHCVOVDFDDF-FPLPWBNLSA-N 1 2 238.290 3.042 20 0 BGADLO C[N@@H+](C/C=C\c1ccccc1)Cc1nccs1 ZINC000255435508 135130040 /nfs/dbraw/zinc/13/00/40/135130040.db2.gz YFOSPCKFHGPMHK-YVMONPNESA-N 1 2 244.363 3.288 20 0 BGADLO C[N@H+](C/C=C\c1ccccc1)Cc1nccs1 ZINC000255435508 135130039 /nfs/dbraw/zinc/13/00/39/135130039.db2.gz YFOSPCKFHGPMHK-YVMONPNESA-N 1 2 244.363 3.288 20 0 BGADLO C/C=C\CSCc1cn2ccccc2[nH+]1 ZINC000255564568 322934430 /nfs/dbraw/zinc/93/44/30/322934430.db2.gz RIIJBSMNYLHDPQ-IHWYPQMZSA-N 1 2 218.325 3.144 20 0 BGADLO Cc1ccc(NC(=O)/C=C\C(C)(C)C)c(C)[nH+]1 ZINC000255721247 384976137 /nfs/dbraw/zinc/97/61/37/384976137.db2.gz XDLYFQLOALWFHN-HJWRWDBZSA-N 1 2 232.327 3.239 20 0 BGADLO C(=C\c1ccccc1)\CSCCn1cc[nH+]c1 ZINC000255756878 135129819 /nfs/dbraw/zinc/12/98/19/135129819.db2.gz SGQZXYHYFYPBBW-DAXSKMNVSA-N 1 2 244.363 3.330 20 0 BGADLO Cc1cc(NC(=O)/C=C\c2cccs2)cc[nH+]1 ZINC000255779152 632737834 /nfs/dbraw/zinc/73/78/34/632737834.db2.gz XUQXBLQEHUABFM-PLNGDYQASA-N 1 2 244.319 3.103 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)/C=C\C1CCCCC1 ZINC000255910037 322942746 /nfs/dbraw/zinc/94/27/46/322942746.db2.gz DNYUVNAJZPUFHP-FPLPWBNLSA-N 1 2 244.338 3.465 20 0 BGADLO CC[N@@H+](CC1CCC(=O)CC1)c1ccccc1 ZINC000258662826 385777126 /nfs/dbraw/zinc/77/71/26/385777126.db2.gz NUGMOASQMBQRQK-UHFFFAOYSA-N 1 2 231.339 3.272 20 0 BGADLO CC[N@H+](CC1CCC(=O)CC1)c1ccccc1 ZINC000258662826 385777124 /nfs/dbraw/zinc/77/71/24/385777124.db2.gz NUGMOASQMBQRQK-UHFFFAOYSA-N 1 2 231.339 3.272 20 0 BGADLO CN(Cc1cccs1)c1[nH]c2ccccc2[nH+]1 ZINC000258704550 135133551 /nfs/dbraw/zinc/13/35/51/135133551.db2.gz FGSMJHBGRAYYRI-UHFFFAOYSA-N 1 2 243.335 3.261 20 0 BGADLO Cc1ccc(CN(C)c2[nH]c3ccccc3[nH+]2)o1 ZINC000258733666 136373716 /nfs/dbraw/zinc/37/37/16/136373716.db2.gz HJUWMGQAJPYKJN-UHFFFAOYSA-N 1 2 241.294 3.101 20 0 BGADLO CN(CC(C)(C)C)c1[nH]c2ccccc2[nH+]1 ZINC000258743407 136373705 /nfs/dbraw/zinc/37/37/05/136373705.db2.gz IARRDXGRSSQADS-UHFFFAOYSA-N 1 2 217.316 3.045 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]C1CCC(O)CC1 ZINC000258754681 488132591 /nfs/dbraw/zinc/13/25/91/488132591.db2.gz JSXZKYRYNIICLB-UHFFFAOYSA-N 1 2 249.354 3.027 20 0 BGADLO CN(c1[nH]c2ccccc2[nH+]1)C1CCCCC1 ZINC000258758442 135134076 /nfs/dbraw/zinc/13/40/76/135134076.db2.gz JBOLXMFBAGBDKU-UHFFFAOYSA-N 1 2 229.327 3.332 20 0 BGADLO Cc1ccc(C)c([N@@H+](C)CC2CCC(=O)CC2)c1 ZINC000258853055 385779772 /nfs/dbraw/zinc/77/97/72/385779772.db2.gz GFTCHXSABQYDAB-UHFFFAOYSA-N 1 2 245.366 3.499 20 0 BGADLO Cc1ccc(C)c([N@H+](C)CC2CCC(=O)CC2)c1 ZINC000258853055 385779769 /nfs/dbraw/zinc/77/97/69/385779769.db2.gz GFTCHXSABQYDAB-UHFFFAOYSA-N 1 2 245.366 3.499 20 0 BGADLO CN(CC1CCCC1)c1[nH]c2ccccc2[nH+]1 ZINC000258860699 136373959 /nfs/dbraw/zinc/37/39/59/136373959.db2.gz QSJKLOWIQAWLIW-UHFFFAOYSA-N 1 2 229.327 3.189 20 0 BGADLO Cc1ccc([N@@H+](C)CC2CCC(=O)CC2)cc1C ZINC000258863605 635215442 /nfs/dbraw/zinc/21/54/42/635215442.db2.gz HGCSGQXRGPSQDW-UHFFFAOYSA-N 1 2 245.366 3.499 20 0 BGADLO Cc1ccc([N@H+](C)CC2CCC(=O)CC2)cc1C ZINC000258863605 635215437 /nfs/dbraw/zinc/21/54/37/635215437.db2.gz HGCSGQXRGPSQDW-UHFFFAOYSA-N 1 2 245.366 3.499 20 0 BGADLO CN(CC(C)(C)C)c1[nH+]c2ccccc2n1C ZINC000258890991 323005608 /nfs/dbraw/zinc/00/56/08/323005608.db2.gz SVDDVNCPPVHFAB-UHFFFAOYSA-N 1 2 231.343 3.056 20 0 BGADLO CC(C)CCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000258902811 135135633 /nfs/dbraw/zinc/13/56/33/135135633.db2.gz UVCRZPDWSZKAKM-UHFFFAOYSA-N 1 2 217.316 3.045 20 0 BGADLO Cc1ccccc1[N@@H+](C)CC1CCC(=O)CC1 ZINC000258911990 384695023 /nfs/dbraw/zinc/69/50/23/384695023.db2.gz METBMPFHJOADII-UHFFFAOYSA-N 1 2 231.339 3.191 20 0 BGADLO Cc1ccccc1[N@H+](C)CC1CCC(=O)CC1 ZINC000258911990 384695018 /nfs/dbraw/zinc/69/50/18/384695018.db2.gz METBMPFHJOADII-UHFFFAOYSA-N 1 2 231.339 3.191 20 0 BGADLO Cc1ccc([N@@H+](C)CC2CCC(=O)CC2)c(C)c1 ZINC000258925544 385780786 /nfs/dbraw/zinc/78/07/86/385780786.db2.gz NTVCIUQOZQKPGM-UHFFFAOYSA-N 1 2 245.366 3.499 20 0 BGADLO Cc1ccc([N@H+](C)CC2CCC(=O)CC2)c(C)c1 ZINC000258925544 385780780 /nfs/dbraw/zinc/78/07/80/385780780.db2.gz NTVCIUQOZQKPGM-UHFFFAOYSA-N 1 2 245.366 3.499 20 0 BGADLO CN(CC1CCCC1)c1[nH+]c2ccccc2n1C ZINC000258937464 323006305 /nfs/dbraw/zinc/00/63/05/323006305.db2.gz YCVJNQKORNURSJ-UHFFFAOYSA-N 1 2 243.354 3.200 20 0 BGADLO Cc1cccc([N@@H+](C)CC2CCC(=O)CC2)c1 ZINC000258940168 179115066 /nfs/dbraw/zinc/11/50/66/179115066.db2.gz PRNMHQYAOOLLLZ-UHFFFAOYSA-N 1 2 231.339 3.191 20 0 BGADLO Cc1cccc([N@H+](C)CC2CCC(=O)CC2)c1 ZINC000258940168 179115065 /nfs/dbraw/zinc/11/50/65/179115065.db2.gz PRNMHQYAOOLLLZ-UHFFFAOYSA-N 1 2 231.339 3.191 20 0 BGADLO CC(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000258946167 370861422 /nfs/dbraw/zinc/86/14/22/370861422.db2.gz QRMFROZWLJVMQF-UHFFFAOYSA-N 1 2 246.137 3.014 20 0 BGADLO CC(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000258946167 370861417 /nfs/dbraw/zinc/86/14/17/370861417.db2.gz QRMFROZWLJVMQF-UHFFFAOYSA-N 1 2 246.137 3.014 20 0 BGADLO CC(C)CCN(C)c1[nH+]c2ccccc2n1C ZINC000258946535 538802552 /nfs/dbraw/zinc/80/25/52/538802552.db2.gz YXMJNODONYOMKH-UHFFFAOYSA-N 1 2 231.343 3.056 20 0 BGADLO Cc1ccc([N@@H+](C)CC2CCC(=O)CC2)cc1 ZINC000258948810 385782146 /nfs/dbraw/zinc/78/21/46/385782146.db2.gz QODLKVNVMDFVRN-UHFFFAOYSA-N 1 2 231.339 3.191 20 0 BGADLO Cc1ccc([N@H+](C)CC2CCC(=O)CC2)cc1 ZINC000258948810 385782140 /nfs/dbraw/zinc/78/21/40/385782140.db2.gz QODLKVNVMDFVRN-UHFFFAOYSA-N 1 2 231.339 3.191 20 0 BGADLO Cc1[nH]cc(-c2ccc(OC(C)C)cc2)[nH+]1 ZINC000259010033 384737086 /nfs/dbraw/zinc/73/70/86/384737086.db2.gz CYWCOOKXNQSXOA-UHFFFAOYSA-N 1 2 216.284 3.172 20 0 BGADLO Cc1[nH]cc(-c2ccc3c(c2)CCCC3)[nH+]1 ZINC000259042751 384763925 /nfs/dbraw/zinc/76/39/25/384763925.db2.gz HSVYLTHXSONFFV-UHFFFAOYSA-N 1 2 212.296 3.264 20 0 BGADLO COc1cc(C)c(-c2c[nH]c(C)[nH+]2)cc1C ZINC000259124944 385654744 /nfs/dbraw/zinc/65/47/44/385654744.db2.gz QHPQUIDPSCUOPZ-UHFFFAOYSA-N 1 2 216.284 3.011 20 0 BGADLO C[C@H](c1ccccc1)[N@H+]1CCCC(F)(F)C1 ZINC000259330463 488164642 /nfs/dbraw/zinc/16/46/42/488164642.db2.gz NGTXZDYDIJARIL-LLVKDONJSA-N 1 2 225.282 3.479 20 0 BGADLO C[C@H](c1ccccc1)[N@@H+]1CCCC(F)(F)C1 ZINC000259330463 488164638 /nfs/dbraw/zinc/16/46/38/488164638.db2.gz NGTXZDYDIJARIL-LLVKDONJSA-N 1 2 225.282 3.479 20 0 BGADLO C[C@@H](c1ccccc1)[N@H+]1CCCC(F)(F)C1 ZINC000259330466 488164584 /nfs/dbraw/zinc/16/45/84/488164584.db2.gz NGTXZDYDIJARIL-NSHDSACASA-N 1 2 225.282 3.479 20 0 BGADLO C[C@@H](c1ccccc1)[N@@H+]1CCCC(F)(F)C1 ZINC000259330466 488164580 /nfs/dbraw/zinc/16/45/80/488164580.db2.gz NGTXZDYDIJARIL-NSHDSACASA-N 1 2 225.282 3.479 20 0 BGADLO C[C@@H](c1ccccc1)[N@H+]1CCC(F)(F)C1 ZINC000259424683 135142720 /nfs/dbraw/zinc/14/27/20/135142720.db2.gz TYQLUDJYIMUMBJ-JTQLQIEISA-N 1 2 211.255 3.089 20 0 BGADLO C[C@@H](c1ccccc1)[N@@H+]1CCC(F)(F)C1 ZINC000259424683 135142719 /nfs/dbraw/zinc/14/27/19/135142719.db2.gz TYQLUDJYIMUMBJ-JTQLQIEISA-N 1 2 211.255 3.089 20 0 BGADLO C[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C1 ZINC000259424685 135142521 /nfs/dbraw/zinc/14/25/21/135142521.db2.gz TYQLUDJYIMUMBJ-SNVBAGLBSA-N 1 2 211.255 3.089 20 0 BGADLO C[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C1 ZINC000259424685 135142520 /nfs/dbraw/zinc/14/25/20/135142520.db2.gz TYQLUDJYIMUMBJ-SNVBAGLBSA-N 1 2 211.255 3.089 20 0 BGADLO Cc1ccc(C[N@H+]2CCCC(F)(F)C2)cc1 ZINC000259472052 488175547 /nfs/dbraw/zinc/17/55/47/488175547.db2.gz YCMCMXJTEFDCHS-UHFFFAOYSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1ccc(C[N@@H+]2CCCC(F)(F)C2)cc1 ZINC000259472052 488175545 /nfs/dbraw/zinc/17/55/45/488175545.db2.gz YCMCMXJTEFDCHS-UHFFFAOYSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1ccc(N(C)Cc2[nH+]ccn2C(C)C)cc1 ZINC000263720167 386169369 /nfs/dbraw/zinc/16/93/69/386169369.db2.gz RJRLPGJLEBTZHS-UHFFFAOYSA-N 1 2 243.354 3.409 20 0 BGADLO CO[C@H](C)CCNc1ccc2ccccc2[nH+]1 ZINC000263720658 490563736 /nfs/dbraw/zinc/56/37/36/490563736.db2.gz BKPVZZOXRVUXGK-LLVKDONJSA-N 1 2 230.311 3.072 20 0 BGADLO CO[C@@H](C)CCNc1ccc2ccccc2[nH+]1 ZINC000263720661 490564033 /nfs/dbraw/zinc/56/40/33/490564033.db2.gz BKPVZZOXRVUXGK-NSHDSACASA-N 1 2 230.311 3.072 20 0 BGADLO CC(C)c1cccc(N(C)Cc2[nH+]ccn2C)c1 ZINC000263726561 386169463 /nfs/dbraw/zinc/16/94/63/386169463.db2.gz CAPZYRZZHGYSMU-UHFFFAOYSA-N 1 2 243.354 3.180 20 0 BGADLO Cc1ccccc1[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000263737229 179347357 /nfs/dbraw/zinc/34/73/57/179347357.db2.gz QVSMMXSTGFFPKX-AWEZNQCLSA-N 1 2 238.334 3.384 20 0 BGADLO Cc1ccccc1[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000263737232 179328675 /nfs/dbraw/zinc/32/86/75/179328675.db2.gz QVSMMXSTGFFPKX-CQSZACIVSA-N 1 2 238.334 3.384 20 0 BGADLO CC(C)c1nc(CCNc2cccc[nH+]2)cs1 ZINC000263773426 386174488 /nfs/dbraw/zinc/17/44/88/386174488.db2.gz HLCBTPCQXZTCSK-UHFFFAOYSA-N 1 2 247.367 3.316 20 0 BGADLO CCC[C@H](C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000263788676 386178046 /nfs/dbraw/zinc/17/80/46/386178046.db2.gz RKGPSHZBPRQCLD-JTQLQIEISA-N 1 2 245.326 3.017 20 0 BGADLO CCC[C@@H](C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000263788681 169352821 /nfs/dbraw/zinc/35/28/21/169352821.db2.gz RKGPSHZBPRQCLD-SNVBAGLBSA-N 1 2 245.326 3.017 20 0 BGADLO CCC(C)(C)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000263816364 168268985 /nfs/dbraw/zinc/26/89/85/168268985.db2.gz KUGFWJMXTKETTP-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO CC(C)(C)SCCNc1cccc[nH+]1 ZINC000263868506 388991662 /nfs/dbraw/zinc/99/16/62/388991662.db2.gz CYGYZKBKVSPGTJ-UHFFFAOYSA-N 1 2 210.346 3.025 20 0 BGADLO CCN(Cc1[nH+]ccn1C)c1cccc(C)c1C ZINC000263950088 351204570 /nfs/dbraw/zinc/20/45/70/351204570.db2.gz DGPWTANIIIZZKK-UHFFFAOYSA-N 1 2 243.354 3.063 20 0 BGADLO CC(C)CN(Cc1[nH+]ccn1C)c1ccccc1 ZINC000263965815 351205327 /nfs/dbraw/zinc/20/53/27/351205327.db2.gz NEESYBBBZYFXKE-UHFFFAOYSA-N 1 2 243.354 3.083 20 0 BGADLO CCc1ccc(N(CC)Cc2[nH+]ccn2C)cc1 ZINC000263973759 386196510 /nfs/dbraw/zinc/19/65/10/386196510.db2.gz RMRRRDKSECAANU-UHFFFAOYSA-N 1 2 243.354 3.009 20 0 BGADLO CCN(Cc1[nH+]ccn1C)c1cccc(Cl)c1 ZINC000263985290 169937638 /nfs/dbraw/zinc/93/76/38/169937638.db2.gz YGWCPJZXSVALDT-UHFFFAOYSA-N 1 2 249.745 3.100 20 0 BGADLO Cc1nc(C[NH2+]C2(c3ccccc3)CC2)oc1C ZINC000263994772 386200310 /nfs/dbraw/zinc/20/03/10/386200310.db2.gz LIZRBVOFDURQMD-UHFFFAOYSA-N 1 2 242.322 3.070 20 0 BGADLO CC(C)[N@H+](Cc1cscn1)Cc1ccco1 ZINC000264003088 386200062 /nfs/dbraw/zinc/20/00/62/386200062.db2.gz GHOCTTLENUBNFP-UHFFFAOYSA-N 1 2 236.340 3.147 20 0 BGADLO CC(C)[N@@H+](Cc1cscn1)Cc1ccco1 ZINC000264003088 386200058 /nfs/dbraw/zinc/20/00/58/386200058.db2.gz GHOCTTLENUBNFP-UHFFFAOYSA-N 1 2 236.340 3.147 20 0 BGADLO Cc1cccc(N(C)Cc2[nH+]ccn2C(C)C)c1 ZINC000264163862 179117778 /nfs/dbraw/zinc/11/77/78/179117778.db2.gz YKROFONAFXDFSB-UHFFFAOYSA-N 1 2 243.354 3.409 20 0 BGADLO Fc1cccc([C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000264225879 187842740 /nfs/dbraw/zinc/84/27/40/187842740.db2.gz HSALPSXPFJVQCH-CYBMUJFWSA-N 1 2 242.297 3.215 20 0 BGADLO Fc1cccc([C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000264225883 181004060 /nfs/dbraw/zinc/00/40/60/181004060.db2.gz HSALPSXPFJVQCH-ZDUSSCGKSA-N 1 2 242.297 3.215 20 0 BGADLO Cc1ccc(C)c(CSCc2[nH+]ccn2C)c1 ZINC000264324418 386226387 /nfs/dbraw/zinc/22/63/87/386226387.db2.gz BNXFVRIYOAVGCO-UHFFFAOYSA-N 1 2 246.379 3.470 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C=C1CCCCC1 ZINC000264385403 386231975 /nfs/dbraw/zinc/23/19/75/386231975.db2.gz GGYVZFLPXBUJTK-UHFFFAOYSA-N 1 2 230.311 3.219 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000264396401 388991228 /nfs/dbraw/zinc/99/12/28/388991228.db2.gz UMKVABKZWQITOP-BMIGLBTASA-N 1 2 241.338 3.056 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000264396403 388992204 /nfs/dbraw/zinc/99/22/04/388992204.db2.gz UMKVABKZWQITOP-BONVTDFDSA-N 1 2 241.338 3.056 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000264396407 187397764 /nfs/dbraw/zinc/39/77/64/187397764.db2.gz UMKVABKZWQITOP-MEBBXXQBSA-N 1 2 241.338 3.056 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000264396410 187235212 /nfs/dbraw/zinc/23/52/12/187235212.db2.gz UMKVABKZWQITOP-ZUZCIYMTSA-N 1 2 241.338 3.056 20 0 BGADLO c1ccc(N2CCCc3ccccc3C2)[nH+]c1 ZINC000264428946 386237492 /nfs/dbraw/zinc/23/74/92/386237492.db2.gz TZNSZJWZESBWMS-UHFFFAOYSA-N 1 2 224.307 3.034 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C=C(C1CC1)C1CC1 ZINC000264546261 386245502 /nfs/dbraw/zinc/24/55/02/386245502.db2.gz QZHKGBGGKQSHMX-UHFFFAOYSA-N 1 2 242.322 3.075 20 0 BGADLO Fc1ccccc1[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000264554710 386247136 /nfs/dbraw/zinc/24/71/36/386247136.db2.gz SOUCGUJXHBRYJW-GFCCVEGCSA-N 1 2 242.297 3.215 20 0 BGADLO Fc1ccccc1[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000264554712 187332136 /nfs/dbraw/zinc/33/21/36/187332136.db2.gz SOUCGUJXHBRYJW-LBPRGKRZSA-N 1 2 242.297 3.215 20 0 BGADLO CC(C)n1cc[nH+]c1CN1CCc2ccccc21 ZINC000264573171 386248275 /nfs/dbraw/zinc/24/82/75/386248275.db2.gz XMAHCNJENLXJRY-UHFFFAOYSA-N 1 2 241.338 3.027 20 0 BGADLO Cc1cc(NC2CCCC2)nc(C2CC2)[nH+]1 ZINC000264603275 178155025 /nfs/dbraw/zinc/15/50/25/178155025.db2.gz CJTSFPYOIWAYPG-UHFFFAOYSA-N 1 2 217.316 3.017 20 0 BGADLO Cc1cc(NCc2cccs2)nc(C2CC2)[nH+]1 ZINC000264611262 178174924 /nfs/dbraw/zinc/17/49/24/178174924.db2.gz FLXIKDMPVWGKQD-UHFFFAOYSA-N 1 2 245.351 3.336 20 0 BGADLO c1cc(CNc2cc[nH+]c(C3CC3)n2)cs1 ZINC000264611661 183357028 /nfs/dbraw/zinc/35/70/28/183357028.db2.gz CXHUGRRWHNAISS-UHFFFAOYSA-N 1 2 231.324 3.028 20 0 BGADLO CN(Cc1cccs1)c1cc[nH+]c(C2CC2)n1 ZINC000264625729 386253907 /nfs/dbraw/zinc/25/39/07/386253907.db2.gz JLJAXWGSNSMYAU-UHFFFAOYSA-N 1 2 245.351 3.052 20 0 BGADLO Cc1nc([C@@H](C)[NH2+]Cc2cccc(O)c2)cs1 ZINC000264627238 180037459 /nfs/dbraw/zinc/03/74/59/180037459.db2.gz STNFGAHKWBHYOQ-SECBINFHSA-N 1 2 248.351 3.008 20 0 BGADLO Cc1nc([C@H](C)[NH2+]Cc2cccc(O)c2)cs1 ZINC000264627241 180049719 /nfs/dbraw/zinc/04/97/19/180049719.db2.gz STNFGAHKWBHYOQ-VIFPVBQESA-N 1 2 248.351 3.008 20 0 BGADLO Cc1cc(N2CCCCCC2)nc(C2CC2)[nH+]1 ZINC000264681491 178113030 /nfs/dbraw/zinc/11/30/30/178113030.db2.gz WWKSNYMMXLXFDU-UHFFFAOYSA-N 1 2 231.343 3.043 20 0 BGADLO CC[N@@H+](Cc1ncc[nH]1)Cc1ccc(Cl)cc1 ZINC000264692463 397924254 /nfs/dbraw/zinc/92/42/54/397924254.db2.gz HQOVZZGBRPILFJ-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO CC[N@H+](Cc1ncc[nH]1)Cc1ccc(Cl)cc1 ZINC000264692463 397924245 /nfs/dbraw/zinc/92/42/45/397924245.db2.gz HQOVZZGBRPILFJ-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO CC(C)[N@@H+](Cc1ccno1)Cc1ccccc1F ZINC000264718577 386268219 /nfs/dbraw/zinc/26/82/19/386268219.db2.gz OEKHXKUYHLCMJQ-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CC(C)[N@H+](Cc1ccno1)Cc1ccccc1F ZINC000264718577 386268214 /nfs/dbraw/zinc/26/82/14/386268214.db2.gz OEKHXKUYHLCMJQ-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO Cc1ccsc1CNc1cc[nH+]c(C2CC2)n1 ZINC000264721279 386267411 /nfs/dbraw/zinc/26/74/11/386267411.db2.gz VCVBTYMYUNNZIZ-UHFFFAOYSA-N 1 2 245.351 3.336 20 0 BGADLO CCc1nc([C@@H](C)Nc2cccc[nH+]2)cs1 ZINC000264768325 172003007 /nfs/dbraw/zinc/00/30/07/172003007.db2.gz ORYFZCCDXXUMAS-SECBINFHSA-N 1 2 233.340 3.274 20 0 BGADLO CCc1nc([C@H](C)Nc2cccc[nH+]2)cs1 ZINC000264768327 172007441 /nfs/dbraw/zinc/00/74/41/172007441.db2.gz ORYFZCCDXXUMAS-VIFPVBQESA-N 1 2 233.340 3.274 20 0 BGADLO Cc1cc(NC(=O)C=C2CCCCC2)cc[nH+]1 ZINC000264788894 178127198 /nfs/dbraw/zinc/12/71/98/178127198.db2.gz KFTPUMKWMUZPEA-UHFFFAOYSA-N 1 2 230.311 3.219 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1nnc(C)o1)c1ccccc1 ZINC000264876752 386278195 /nfs/dbraw/zinc/27/81/95/386278195.db2.gz PZSUNIKRTKKAOD-GWCFXTLKSA-N 1 2 245.326 3.180 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1nnc(C)o1)c1ccccc1 ZINC000264876754 351259278 /nfs/dbraw/zinc/25/92/78/351259278.db2.gz PZSUNIKRTKKAOD-GXFFZTMASA-N 1 2 245.326 3.180 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1nnc(C)o1)c1ccccc1 ZINC000264876756 386279496 /nfs/dbraw/zinc/27/94/96/386279496.db2.gz PZSUNIKRTKKAOD-MFKMUULPSA-N 1 2 245.326 3.180 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1nnc(C)o1)c1ccccc1 ZINC000264876757 351259228 /nfs/dbraw/zinc/25/92/28/351259228.db2.gz PZSUNIKRTKKAOD-ZWNOBZJWSA-N 1 2 245.326 3.180 20 0 BGADLO CC1(Nc2cc[nH+]c(C3CC3)n2)CCCC1 ZINC000264940511 168065905 /nfs/dbraw/zinc/06/59/05/168065905.db2.gz SWILSFOGZYZAIV-UHFFFAOYSA-N 1 2 217.316 3.099 20 0 BGADLO CCS[C@@H]1CCCCN(c2cccc[nH+]2)C1 ZINC000264946061 386286938 /nfs/dbraw/zinc/28/69/38/386286938.db2.gz UCGKFTPHPYPIBH-GFCCVEGCSA-N 1 2 236.384 3.194 20 0 BGADLO CCS[C@H]1CCCCN(c2cccc[nH+]2)C1 ZINC000264946062 386285398 /nfs/dbraw/zinc/28/53/98/386285398.db2.gz UCGKFTPHPYPIBH-LBPRGKRZSA-N 1 2 236.384 3.194 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CCC(C)C ZINC000264967173 351260502 /nfs/dbraw/zinc/26/05/02/351260502.db2.gz CLFCCLGOIWFREN-UHFFFAOYSA-N 1 2 220.316 3.019 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C(CC)CC ZINC000265015962 351261408 /nfs/dbraw/zinc/26/14/08/351261408.db2.gz HSIYTEHWDDDBLT-UHFFFAOYSA-N 1 2 220.316 3.019 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CC1CCCC1 ZINC000265020572 351261249 /nfs/dbraw/zinc/26/12/49/351261249.db2.gz QQJMRBGATVFCSB-UHFFFAOYSA-N 1 2 232.327 3.163 20 0 BGADLO CCCCCC(=O)Nc1cc[nH+]cc1CC ZINC000265020608 386298042 /nfs/dbraw/zinc/29/80/42/386298042.db2.gz QSVMQZISYITYCJ-UHFFFAOYSA-N 1 2 220.316 3.163 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C1CCCCC1 ZINC000265040586 351262037 /nfs/dbraw/zinc/26/20/37/351262037.db2.gz WHZOVKORHYMSLR-UHFFFAOYSA-N 1 2 232.327 3.163 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CC(C)(C)C ZINC000265052947 351261696 /nfs/dbraw/zinc/26/16/96/351261696.db2.gz ZGHUQSZKKDQYRC-UHFFFAOYSA-N 1 2 220.316 3.019 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)C(C)(C)C ZINC000265214329 386318378 /nfs/dbraw/zinc/31/83/78/386318378.db2.gz BSZMRLZDYSEEIJ-JTQLQIEISA-N 1 2 220.316 3.011 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)C(C)(C)C ZINC000265214331 386319530 /nfs/dbraw/zinc/31/95/30/386319530.db2.gz BSZMRLZDYSEEIJ-SNVBAGLBSA-N 1 2 220.316 3.011 20 0 BGADLO CCC[C@@H](C)CC(=O)Nc1cc[nH+]cc1CC ZINC000265218602 169356599 /nfs/dbraw/zinc/35/65/99/169356599.db2.gz NCZOVVCMRXMGKW-LLVKDONJSA-N 1 2 234.343 3.409 20 0 BGADLO CCC[C@H](C)CC(=O)Nc1cc[nH+]cc1CC ZINC000265218603 386318615 /nfs/dbraw/zinc/31/86/15/386318615.db2.gz NCZOVVCMRXMGKW-NSHDSACASA-N 1 2 234.343 3.409 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C(C)(C)CC ZINC000265227408 351266318 /nfs/dbraw/zinc/26/63/18/351266318.db2.gz OPGCDLJEPOTNJS-UHFFFAOYSA-N 1 2 220.316 3.019 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@@H](C)C(C)C ZINC000265229012 351266113 /nfs/dbraw/zinc/26/61/13/351266113.db2.gz OUIMGAXHNXODJL-LLVKDONJSA-N 1 2 234.343 3.265 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@H](C)C(C)C ZINC000265229014 351266166 /nfs/dbraw/zinc/26/61/66/351266166.db2.gz OUIMGAXHNXODJL-NSHDSACASA-N 1 2 234.343 3.265 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CC1=CCCCC1 ZINC000265230589 351266242 /nfs/dbraw/zinc/26/62/42/351266242.db2.gz PDFHJXDCWGEONJ-UHFFFAOYSA-N 1 2 244.338 3.473 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C=C1CCCCC1 ZINC000265235409 171923515 /nfs/dbraw/zinc/92/35/15/171923515.db2.gz QFSQDDQDKRGLHV-UHFFFAOYSA-N 1 2 244.338 3.473 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)C(C)(C)C ZINC000265265558 351265950 /nfs/dbraw/zinc/26/59/50/351265950.db2.gz FNRIUXQXMPQZKB-JTQLQIEISA-N 1 2 234.343 3.265 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)C(C)(C)C ZINC000265265562 351265938 /nfs/dbraw/zinc/26/59/38/351265938.db2.gz FNRIUXQXMPQZKB-SNVBAGLBSA-N 1 2 234.343 3.265 20 0 BGADLO CCC[C@H](C)C(=O)Nc1cc[nH+]cc1CC ZINC000265267829 386324713 /nfs/dbraw/zinc/32/47/13/386324713.db2.gz WQVJNZUOAAJGEM-JTQLQIEISA-N 1 2 220.316 3.019 20 0 BGADLO CCC[C@@H](C)C(=O)Nc1cc[nH+]cc1CC ZINC000265267831 169352687 /nfs/dbraw/zinc/35/26/87/169352687.db2.gz WQVJNZUOAAJGEM-SNVBAGLBSA-N 1 2 220.316 3.019 20 0 BGADLO Cc1cc(NC(=O)[C@H](C)C(C)(C)C)cc[nH+]1 ZINC000265294614 178147015 /nfs/dbraw/zinc/14/70/15/178147015.db2.gz LFLNITXQIVDMGI-JTQLQIEISA-N 1 2 220.316 3.011 20 0 BGADLO Cc1cc(NC(=O)[C@@H](C)C(C)(C)C)cc[nH+]1 ZINC000265294616 178143666 /nfs/dbraw/zinc/14/36/66/178143666.db2.gz LFLNITXQIVDMGI-SNVBAGLBSA-N 1 2 220.316 3.011 20 0 BGADLO CC(C)n1ccc(C[N@@H+](C)Cc2cccs2)n1 ZINC000265327161 397931935 /nfs/dbraw/zinc/93/19/35/397931935.db2.gz KVMJHCPZDXQUKB-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO CC(C)n1ccc(C[N@H+](C)Cc2cccs2)n1 ZINC000265327161 397931929 /nfs/dbraw/zinc/93/19/29/397931929.db2.gz KVMJHCPZDXQUKB-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO Cc1cc(NCc2ccsc2)nc(C2CC2)[nH+]1 ZINC000265370698 178174343 /nfs/dbraw/zinc/17/43/43/178174343.db2.gz OMTPOBFBRGMTND-UHFFFAOYSA-N 1 2 245.351 3.336 20 0 BGADLO Cc1cc(N2CCCC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000265384744 132181957 /nfs/dbraw/zinc/18/19/57/132181957.db2.gz RVWMJNAUVPWQNI-LLVKDONJSA-N 1 2 231.343 3.041 20 0 BGADLO Cc1cc(N2CCCC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000265384747 132182159 /nfs/dbraw/zinc/18/21/59/132182159.db2.gz RVWMJNAUVPWQNI-NSHDSACASA-N 1 2 231.343 3.041 20 0 BGADLO Cc1cc(N[C@@H]2CC=CCC2)nc(C2CC2)[nH+]1 ZINC000265524868 178181379 /nfs/dbraw/zinc/18/13/79/178181379.db2.gz SHJZPBLZDALNQO-GFCCVEGCSA-N 1 2 229.327 3.183 20 0 BGADLO Cc1cc(N[C@H]2CC=CCC2)nc(C2CC2)[nH+]1 ZINC000265524869 178188761 /nfs/dbraw/zinc/18/87/61/178188761.db2.gz SHJZPBLZDALNQO-LBPRGKRZSA-N 1 2 229.327 3.183 20 0 BGADLO c1ccc(N2CCC3(CCCC3)CC2)[nH+]c1 ZINC000265592542 132182999 /nfs/dbraw/zinc/18/29/99/132182999.db2.gz PTGSHYBXLWJWDO-UHFFFAOYSA-N 1 2 216.328 3.242 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2c(C)cccc2C)no1 ZINC000265671405 386357774 /nfs/dbraw/zinc/35/77/74/386357774.db2.gz XLPSWDPAPNLALD-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2c(C)cccc2C)no1 ZINC000265671405 386357767 /nfs/dbraw/zinc/35/77/67/386357767.db2.gz XLPSWDPAPNLALD-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CCC(C)(C)C ZINC000265679673 351274125 /nfs/dbraw/zinc/27/41/25/351274125.db2.gz JFRKLJVNNLXIJM-UHFFFAOYSA-N 1 2 234.343 3.409 20 0 BGADLO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccon1 ZINC000265742110 351274639 /nfs/dbraw/zinc/27/46/39/351274639.db2.gz CKRZLNTXWYCNLU-AWEZNQCLSA-N 1 2 248.301 3.397 20 0 BGADLO CC[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccon1 ZINC000265742110 351274637 /nfs/dbraw/zinc/27/46/37/351274637.db2.gz CKRZLNTXWYCNLU-AWEZNQCLSA-N 1 2 248.301 3.397 20 0 BGADLO CC[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccon1 ZINC000265742111 386365805 /nfs/dbraw/zinc/36/58/05/386365805.db2.gz CKRZLNTXWYCNLU-CQSZACIVSA-N 1 2 248.301 3.397 20 0 BGADLO CC[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccon1 ZINC000265742111 386365800 /nfs/dbraw/zinc/36/58/00/386365800.db2.gz CKRZLNTXWYCNLU-CQSZACIVSA-N 1 2 248.301 3.397 20 0 BGADLO C[C@@H](c1cccc(F)c1)[N@@H+](C)Cc1ccon1 ZINC000265773548 176017983 /nfs/dbraw/zinc/01/79/83/176017983.db2.gz JFTTVSJVGIWRSD-JTQLQIEISA-N 1 2 234.274 3.007 20 0 BGADLO C[C@@H](c1cccc(F)c1)[N@H+](C)Cc1ccon1 ZINC000265773548 176017980 /nfs/dbraw/zinc/01/79/80/176017980.db2.gz JFTTVSJVGIWRSD-JTQLQIEISA-N 1 2 234.274 3.007 20 0 BGADLO C[C@H](c1cccc(F)c1)[N@@H+](C)Cc1ccon1 ZINC000265773549 177035989 /nfs/dbraw/zinc/03/59/89/177035989.db2.gz JFTTVSJVGIWRSD-SNVBAGLBSA-N 1 2 234.274 3.007 20 0 BGADLO C[C@H](c1cccc(F)c1)[N@H+](C)Cc1ccon1 ZINC000265773549 177035987 /nfs/dbraw/zinc/03/59/87/177035987.db2.gz JFTTVSJVGIWRSD-SNVBAGLBSA-N 1 2 234.274 3.007 20 0 BGADLO CC(C)[N@@H+](Cc1ccon1)Cc1cccc(F)c1 ZINC000265802859 188022782 /nfs/dbraw/zinc/02/27/82/188022782.db2.gz CJRKEQZOWGJTJM-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CC(C)[N@H+](Cc1ccon1)Cc1cccc(F)c1 ZINC000265802859 188022781 /nfs/dbraw/zinc/02/27/81/188022781.db2.gz CJRKEQZOWGJTJM-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CCCc1ccc(C[N@@H+](C)Cc2ccon2)cc1 ZINC000265805305 386373789 /nfs/dbraw/zinc/37/37/89/386373789.db2.gz OSUSKMBYIRJHGN-UHFFFAOYSA-N 1 2 244.338 3.259 20 0 BGADLO CCCc1ccc(C[N@H+](C)Cc2ccon2)cc1 ZINC000265805305 386373782 /nfs/dbraw/zinc/37/37/82/386373782.db2.gz OSUSKMBYIRJHGN-UHFFFAOYSA-N 1 2 244.338 3.259 20 0 BGADLO Cc1cc(C)c(C[N@@H+](C)Cc2ccon2)c(C)c1 ZINC000265824321 386375692 /nfs/dbraw/zinc/37/56/92/386375692.db2.gz SRAPORPFLYGKMO-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cc(C)c(C[N@H+](C)Cc2ccon2)c(C)c1 ZINC000265824321 386375687 /nfs/dbraw/zinc/37/56/87/386375687.db2.gz SRAPORPFLYGKMO-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO C[C@@H](CNc1ccc2ccccc2[nH+]1)C[C@H](C)O ZINC000265840375 388994158 /nfs/dbraw/zinc/99/41/58/388994158.db2.gz NGWGZDXZNJPUNN-NEPJUHHUSA-N 1 2 244.338 3.054 20 0 BGADLO C[C@@H](O)C[C@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000265840378 388994144 /nfs/dbraw/zinc/99/41/44/388994144.db2.gz NGWGZDXZNJPUNN-NWDGAFQWSA-N 1 2 244.338 3.054 20 0 BGADLO C[C@H](O)C[C@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000265840380 388994560 /nfs/dbraw/zinc/99/45/60/388994560.db2.gz NGWGZDXZNJPUNN-RYUDHWBXSA-N 1 2 244.338 3.054 20 0 BGADLO C[C@@H](O)C[C@@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000265840382 388993863 /nfs/dbraw/zinc/99/38/63/388993863.db2.gz NGWGZDXZNJPUNN-VXGBXAGGSA-N 1 2 244.338 3.054 20 0 BGADLO CC(C)[N@@H+](Cc1ccon1)Cc1ccc(F)cc1 ZINC000265840432 386376259 /nfs/dbraw/zinc/37/62/59/386376259.db2.gz NJNHLKQAFJWASL-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CC(C)[N@H+](Cc1ccon1)Cc1ccc(F)cc1 ZINC000265840432 386376255 /nfs/dbraw/zinc/37/62/55/386376255.db2.gz NJNHLKQAFJWASL-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CC(C)[N@H+](Cc1ccon1)Cc1cccs1 ZINC000265840521 188021989 /nfs/dbraw/zinc/02/19/89/188021989.db2.gz NPCDTKFJQAYZSZ-UHFFFAOYSA-N 1 2 236.340 3.147 20 0 BGADLO CC(C)[N@@H+](Cc1ccon1)Cc1cccs1 ZINC000265840521 188021988 /nfs/dbraw/zinc/02/19/88/188021988.db2.gz NPCDTKFJQAYZSZ-UHFFFAOYSA-N 1 2 236.340 3.147 20 0 BGADLO CSc1ccc(C[N@@H+](C)Cc2ccon2)cc1 ZINC000265847061 386378995 /nfs/dbraw/zinc/37/89/95/386378995.db2.gz XZVQKVDSJZCMGR-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO CSc1ccc(C[N@H+](C)Cc2ccon2)cc1 ZINC000265847061 386378989 /nfs/dbraw/zinc/37/89/89/386378989.db2.gz XZVQKVDSJZCMGR-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO CCC[N@@H+](Cc1ccon1)Cc1ccc(F)cc1 ZINC000265855176 169175798 /nfs/dbraw/zinc/17/57/98/169175798.db2.gz QPHMNMABARNXRG-UHFFFAOYSA-N 1 2 248.301 3.226 20 0 BGADLO CCC[N@H+](Cc1ccon1)Cc1ccc(F)cc1 ZINC000265855176 169175796 /nfs/dbraw/zinc/17/57/96/169175796.db2.gz QPHMNMABARNXRG-UHFFFAOYSA-N 1 2 248.301 3.226 20 0 BGADLO CC(C)[N@@H+](Cc1ccon1)Cc1ccccc1F ZINC000265857203 386379385 /nfs/dbraw/zinc/37/93/85/386379385.db2.gz RFCWXGIIORDIGE-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CC(C)[N@H+](Cc1ccon1)Cc1ccccc1F ZINC000265857203 386379378 /nfs/dbraw/zinc/37/93/78/386379378.db2.gz RFCWXGIIORDIGE-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO C[C@H](c1ccccc1)[N@@H+](Cc1ccon1)C1CC1 ZINC000265863743 177039433 /nfs/dbraw/zinc/03/94/33/177039433.db2.gz SVOXQPAVBHIWCV-GFCCVEGCSA-N 1 2 242.322 3.400 20 0 BGADLO C[C@H](c1ccccc1)[N@H+](Cc1ccon1)C1CC1 ZINC000265863743 177039431 /nfs/dbraw/zinc/03/94/31/177039431.db2.gz SVOXQPAVBHIWCV-GFCCVEGCSA-N 1 2 242.322 3.400 20 0 BGADLO C[C@@H](c1ccccc1)[N@@H+](Cc1ccon1)C1CC1 ZINC000265863745 176020685 /nfs/dbraw/zinc/02/06/85/176020685.db2.gz SVOXQPAVBHIWCV-LBPRGKRZSA-N 1 2 242.322 3.400 20 0 BGADLO C[C@@H](c1ccccc1)[N@H+](Cc1ccon1)C1CC1 ZINC000265863745 176020682 /nfs/dbraw/zinc/02/06/82/176020682.db2.gz SVOXQPAVBHIWCV-LBPRGKRZSA-N 1 2 242.322 3.400 20 0 BGADLO CC(C)(C)CCC(=O)Nc1cccc2[nH+]ccn21 ZINC000266022722 386391364 /nfs/dbraw/zinc/39/13/64/386391364.db2.gz CMWWVPYIPVYZSB-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO Cc1nc(N2CCC[C@@H]2c2cccs2)cc[nH+]1 ZINC000266138941 386402663 /nfs/dbraw/zinc/40/26/63/386402663.db2.gz PZKVSLSQILYEAP-LLVKDONJSA-N 1 2 245.351 3.188 20 0 BGADLO Cc1nc(N2CCC[C@H]2c2cccs2)cc[nH+]1 ZINC000266138944 188022401 /nfs/dbraw/zinc/02/24/01/188022401.db2.gz PZKVSLSQILYEAP-NSHDSACASA-N 1 2 245.351 3.188 20 0 BGADLO Cc1nc(N2CCC[C@H]2c2ccccc2)cc[nH+]1 ZINC000266140439 187843718 /nfs/dbraw/zinc/84/37/18/187843718.db2.gz QMQULDQGKWOVKC-AWEZNQCLSA-N 1 2 239.322 3.127 20 0 BGADLO Cc1nc(N2CCC[C@@H]2c2ccccc2)cc[nH+]1 ZINC000266140441 386403267 /nfs/dbraw/zinc/40/32/67/386403267.db2.gz QMQULDQGKWOVKC-CQSZACIVSA-N 1 2 239.322 3.127 20 0 BGADLO Cc1nc(N[C@@H](c2ccccc2)C2CC2)cc[nH+]1 ZINC000266189711 180202981 /nfs/dbraw/zinc/20/29/81/180202981.db2.gz XYEUTUHYYWKEIB-HNNXBMFYSA-N 1 2 239.322 3.348 20 0 BGADLO Cc1nc(N[C@H](c2ccccc2)C2CC2)cc[nH+]1 ZINC000266189714 180205974 /nfs/dbraw/zinc/20/59/74/180205974.db2.gz XYEUTUHYYWKEIB-OAHLLOKOSA-N 1 2 239.322 3.348 20 0 BGADLO CC(C)[C@@H](C)Sc1[nH+]cnc2[nH]ccc21 ZINC000266231915 167388861 /nfs/dbraw/zinc/38/88/61/167388861.db2.gz UPFAWARRYVPLBB-MRVPVSSYSA-N 1 2 221.329 3.095 20 0 BGADLO CC(C)[C@H](C)Sc1[nH+]cnc2[nH]ccc21 ZINC000266231917 188550485 /nfs/dbraw/zinc/55/04/85/188550485.db2.gz UPFAWARRYVPLBB-QMMMGPOBSA-N 1 2 221.329 3.095 20 0 BGADLO c1cc(N2CCC[C@@H]3CCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000266261523 132186045 /nfs/dbraw/zinc/18/60/45/132186045.db2.gz PFMKVPSNGLNMBL-AAEUAGOBSA-N 1 2 243.354 3.123 20 0 BGADLO c1cc(N2CCC[C@H]3CCC[C@H]32)nc(C2CC2)[nH+]1 ZINC000266261526 132186246 /nfs/dbraw/zinc/18/62/46/132186246.db2.gz PFMKVPSNGLNMBL-DGCLKSJQSA-N 1 2 243.354 3.123 20 0 BGADLO c1cc(N2CCC[C@@H]3CCC[C@H]32)nc(C2CC2)[nH+]1 ZINC000266261529 132186274 /nfs/dbraw/zinc/18/62/74/132186274.db2.gz PFMKVPSNGLNMBL-WCQYABFASA-N 1 2 243.354 3.123 20 0 BGADLO c1cc(N2CCC[C@H]3CCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000266261532 132185759 /nfs/dbraw/zinc/18/57/59/132185759.db2.gz PFMKVPSNGLNMBL-YPMHNXCESA-N 1 2 243.354 3.123 20 0 BGADLO c1ccc(N2CCC3(C2)CCCCC3)[nH+]c1 ZINC000266289209 386423369 /nfs/dbraw/zinc/42/33/69/386423369.db2.gz WGYDRRPNKBXLQB-UHFFFAOYSA-N 1 2 216.328 3.242 20 0 BGADLO Cc1nc(N[C@@H]2CCc3cc(F)ccc32)cc[nH+]1 ZINC000266331683 180204940 /nfs/dbraw/zinc/20/49/40/180204940.db2.gz GWDLTBDKKBZUKP-CYBMUJFWSA-N 1 2 243.285 3.024 20 0 BGADLO Cc1nc(N[C@H]2CCc3cc(F)ccc32)cc[nH+]1 ZINC000266331685 180206953 /nfs/dbraw/zinc/20/69/53/180206953.db2.gz GWDLTBDKKBZUKP-ZDUSSCGKSA-N 1 2 243.285 3.024 20 0 BGADLO Cc1nc(N(C)[C@H](C)c2cccs2)cc[nH+]1 ZINC000266353218 187332541 /nfs/dbraw/zinc/33/25/41/187332541.db2.gz JSDPUNLKLMUGKF-SECBINFHSA-N 1 2 233.340 3.044 20 0 BGADLO Cc1nc(N(C)[C@@H](C)c2cccs2)cc[nH+]1 ZINC000266353222 386428874 /nfs/dbraw/zinc/42/88/74/386428874.db2.gz JSDPUNLKLMUGKF-VIFPVBQESA-N 1 2 233.340 3.044 20 0 BGADLO Cc1nc(NC2CC(c3ccccc3)C2)cc[nH+]1 ZINC000266380595 180197826 /nfs/dbraw/zinc/19/78/26/180197826.db2.gz MXFDPPDCZAKVJK-UHFFFAOYSA-N 1 2 239.322 3.143 20 0 BGADLO Cc1nc(N2CCC[C@@H]2c2ccsc2)cc[nH+]1 ZINC000266382900 187332345 /nfs/dbraw/zinc/33/23/45/187332345.db2.gz NEWKRQGXBHVTOP-GFCCVEGCSA-N 1 2 245.351 3.188 20 0 BGADLO Cc1nc(N2CCC[C@H]2c2ccsc2)cc[nH+]1 ZINC000266382904 188372992 /nfs/dbraw/zinc/37/29/92/188372992.db2.gz NEWKRQGXBHVTOP-LBPRGKRZSA-N 1 2 245.351 3.188 20 0 BGADLO CC[C@H](Nc1cc[nH+]c(C)n1)c1nc(C)cs1 ZINC000266384758 386430816 /nfs/dbraw/zinc/43/08/16/386430816.db2.gz NJJFEQVAIJLZNQ-JTQLQIEISA-N 1 2 248.355 3.113 20 0 BGADLO CC[C@@H](Nc1cc[nH+]c(C)n1)c1nc(C)cs1 ZINC000266384759 351290958 /nfs/dbraw/zinc/29/09/58/351290958.db2.gz NJJFEQVAIJLZNQ-SNVBAGLBSA-N 1 2 248.355 3.113 20 0 BGADLO Cc1ccc2c(c1)CC[C@@H]2Nc1cc[nH+]c(C)n1 ZINC000266415718 386433136 /nfs/dbraw/zinc/43/31/36/386433136.db2.gz RGBBUODWFDWIRI-AWEZNQCLSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1ccc2c(c1)CC[C@H]2Nc1cc[nH+]c(C)n1 ZINC000266415720 386435017 /nfs/dbraw/zinc/43/50/17/386435017.db2.gz RGBBUODWFDWIRI-CQSZACIVSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1nc(N[C@@H]2CCc3c2cccc3F)cc[nH+]1 ZINC000266419747 180206439 /nfs/dbraw/zinc/20/64/39/180206439.db2.gz RWHCYPWWVUINMO-CYBMUJFWSA-N 1 2 243.285 3.024 20 0 BGADLO Cc1nc(N[C@H]2CCc3c2cccc3F)cc[nH+]1 ZINC000266419749 180206895 /nfs/dbraw/zinc/20/68/95/180206895.db2.gz RWHCYPWWVUINMO-ZDUSSCGKSA-N 1 2 243.285 3.024 20 0 BGADLO Cc1nc(N(C)[C@@H](C)c2ccccc2F)cc[nH+]1 ZINC000266424254 386434700 /nfs/dbraw/zinc/43/47/00/386434700.db2.gz SLMQCHDJDLVDIS-JTQLQIEISA-N 1 2 245.301 3.122 20 0 BGADLO Cc1nc(N(C)[C@H](C)c2ccccc2F)cc[nH+]1 ZINC000266424256 386434715 /nfs/dbraw/zinc/43/47/15/386434715.db2.gz SLMQCHDJDLVDIS-SNVBAGLBSA-N 1 2 245.301 3.122 20 0 BGADLO Cc1ccc(CNc2cc[nH+]c(C)n2)c(C)c1 ZINC000266462543 386440376 /nfs/dbraw/zinc/44/03/76/386440376.db2.gz YUQSCJOJWOEDCF-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccsc2)o1 ZINC000266517497 386446779 /nfs/dbraw/zinc/44/67/79/386446779.db2.gz HAWAADWLNKXWDD-GFCCVEGCSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccsc2)o1 ZINC000266517497 386446771 /nfs/dbraw/zinc/44/67/71/386446771.db2.gz HAWAADWLNKXWDD-GFCCVEGCSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccsc2)o1 ZINC000266517499 386446526 /nfs/dbraw/zinc/44/65/26/386446526.db2.gz HAWAADWLNKXWDD-LBPRGKRZSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccsc2)o1 ZINC000266517499 386446518 /nfs/dbraw/zinc/44/65/18/386446518.db2.gz HAWAADWLNKXWDD-LBPRGKRZSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2cccs2)o1 ZINC000266518950 386447568 /nfs/dbraw/zinc/44/75/68/386447568.db2.gz HREHBLCMIIRYHP-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2cccs2)o1 ZINC000266518950 386447563 /nfs/dbraw/zinc/44/75/63/386447563.db2.gz HREHBLCMIIRYHP-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@H](C)c2cccs2)o1 ZINC000266518952 386445157 /nfs/dbraw/zinc/44/51/57/386445157.db2.gz HREHBLCMIIRYHP-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2cccs2)o1 ZINC000266518952 386445153 /nfs/dbraw/zinc/44/51/53/386445153.db2.gz HREHBLCMIIRYHP-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO FC(F)(F)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000266520022 386445593 /nfs/dbraw/zinc/44/55/93/386445593.db2.gz ZLGPHVGXWBNGAX-UHFFFAOYSA-N 1 2 245.248 3.108 20 0 BGADLO Cc1cnc(C[N@H+]2CCc3sccc3[C@@H]2C)o1 ZINC000266525439 386447639 /nfs/dbraw/zinc/44/76/39/386447639.db2.gz KHOXKNNVHHHKOL-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc(C[N@@H+]2CCc3sccc3[C@@H]2C)o1 ZINC000266525439 386447635 /nfs/dbraw/zinc/44/76/35/386447635.db2.gz KHOXKNNVHHHKOL-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc(C[N@H+]2CCc3sccc3[C@H]2C)o1 ZINC000266525443 386446123 /nfs/dbraw/zinc/44/61/23/386446123.db2.gz KHOXKNNVHHHKOL-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc(C[N@@H+]2CCc3sccc3[C@H]2C)o1 ZINC000266525443 386446114 /nfs/dbraw/zinc/44/61/14/386446114.db2.gz KHOXKNNVHHHKOL-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc(C[NH2+]C(C)(C)c2ccccc2)o1 ZINC000266748584 386465608 /nfs/dbraw/zinc/46/56/08/386465608.db2.gz PBDPUQAOOVOCSD-UHFFFAOYSA-N 1 2 230.311 3.008 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000266878524 351295499 /nfs/dbraw/zinc/29/54/99/351295499.db2.gz ZPFABOIOJSSROC-IMRBUKKESA-N 1 2 244.338 3.019 20 0 BGADLO c1ccc([C@@H]2OCC[C@H]2Nc2cccc[nH+]2)cc1 ZINC000267067296 386492074 /nfs/dbraw/zinc/49/20/74/386492074.db2.gz QDOVRIYLXJSEHL-HIFRSBDPSA-N 1 2 240.306 3.024 20 0 BGADLO CCN(Cc1c[nH+]cn1C)c1ccc(C)cc1C ZINC000267082453 351300084 /nfs/dbraw/zinc/30/00/84/351300084.db2.gz RGKMXBMHPAQKAT-UHFFFAOYSA-N 1 2 243.354 3.063 20 0 BGADLO Cc1ccc(N(Cc2c[nH+]cn2C)C(C)C)cc1 ZINC000267082598 386491526 /nfs/dbraw/zinc/49/15/26/386491526.db2.gz RKUMGLMEIGRFFD-UHFFFAOYSA-N 1 2 243.354 3.144 20 0 BGADLO Cc1cccc(SCc2c[nH+]cn2C)c1 ZINC000267109836 179177142 /nfs/dbraw/zinc/17/71/42/179177142.db2.gz ADNCXDBTCOEHHR-UHFFFAOYSA-N 1 2 218.325 3.021 20 0 BGADLO Cc1ccc(SCc2c[nH+]cn2C)c(C)c1 ZINC000267120573 386498764 /nfs/dbraw/zinc/49/87/64/386498764.db2.gz ATMLMYLXIAOAKX-UHFFFAOYSA-N 1 2 232.352 3.329 20 0 BGADLO Cc1ccc(SCc2c[nH+]cn2C)cc1 ZINC000267129210 386498616 /nfs/dbraw/zinc/49/86/16/386498616.db2.gz CEKJENWUGSAWMX-UHFFFAOYSA-N 1 2 218.325 3.021 20 0 BGADLO Cc1ccc(SCc2c[nH+]cn2C)cc1C ZINC000267139039 386499717 /nfs/dbraw/zinc/49/97/17/386499717.db2.gz FEWGSTBUROHJOY-UHFFFAOYSA-N 1 2 232.352 3.329 20 0 BGADLO Cc1ccccc1SCc1c[nH+]cn1C ZINC000267140872 386500891 /nfs/dbraw/zinc/50/08/91/386500891.db2.gz KJQDIILTUCAVOH-UHFFFAOYSA-N 1 2 218.325 3.021 20 0 BGADLO Cc1ccc(C)c(CSCc2c[nH+]cn2C)c1 ZINC000267152363 386500427 /nfs/dbraw/zinc/50/04/27/386500427.db2.gz OBYXHJYQODLZDW-UHFFFAOYSA-N 1 2 246.379 3.470 20 0 BGADLO Cc1ccc(C)c(SCc2c[nH+]cn2C)c1 ZINC000267158833 386500992 /nfs/dbraw/zinc/50/09/92/386500992.db2.gz IZIBXINRIYGSEJ-UHFFFAOYSA-N 1 2 232.352 3.329 20 0 BGADLO COc1ccc([C@@H](C)N(C)c2cccc[nH+]2)cc1 ZINC000267181124 188372551 /nfs/dbraw/zinc/37/25/51/188372551.db2.gz FKURXDFFOAKEOR-GFCCVEGCSA-N 1 2 242.322 3.288 20 0 BGADLO COc1ccc([C@H](C)N(C)c2cccc[nH+]2)cc1 ZINC000267181128 386506744 /nfs/dbraw/zinc/50/67/44/386506744.db2.gz FKURXDFFOAKEOR-LBPRGKRZSA-N 1 2 242.322 3.288 20 0 BGADLO c1csc(CN(c2cccc[nH+]2)C2CC2)c1 ZINC000267197099 386509954 /nfs/dbraw/zinc/50/99/54/386509954.db2.gz IKMZUSWLSZPUJP-UHFFFAOYSA-N 1 2 230.336 3.312 20 0 BGADLO c1cc2[nH+]ccc(N3CCCCCC3)c2cn1 ZINC000267256199 183377488 /nfs/dbraw/zinc/37/74/88/183377488.db2.gz VMYLFTGWBRQISB-UHFFFAOYSA-N 1 2 227.311 3.010 20 0 BGADLO c1cc([C@H]2CCCN2c2cccc[nH+]2)cs1 ZINC000267258323 386517780 /nfs/dbraw/zinc/51/77/80/386517780.db2.gz WEFLUJYWDFHWJS-GFCCVEGCSA-N 1 2 230.336 3.485 20 0 BGADLO c1cc([C@@H]2CCCN2c2cccc[nH+]2)cs1 ZINC000267258324 386518576 /nfs/dbraw/zinc/51/85/76/386518576.db2.gz WEFLUJYWDFHWJS-LBPRGKRZSA-N 1 2 230.336 3.485 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CCC1CCC1 ZINC000267275433 386523164 /nfs/dbraw/zinc/52/31/64/386523164.db2.gz UBPDVQWUNHOUFO-UHFFFAOYSA-N 1 2 232.327 3.163 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)c1oc(C)cc1C ZINC000267283697 386522745 /nfs/dbraw/zinc/52/27/45/386522745.db2.gz XLQBHSIPQRXHMN-UHFFFAOYSA-N 1 2 244.294 3.106 20 0 BGADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccccn2)cs1 ZINC000267425770 386540862 /nfs/dbraw/zinc/54/08/62/386540862.db2.gz XKLVKDXXHWBNKP-JTQLQIEISA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccccn2)cs1 ZINC000267425770 386540858 /nfs/dbraw/zinc/54/08/58/386540858.db2.gz XKLVKDXXHWBNKP-JTQLQIEISA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccccn2)cs1 ZINC000267425773 386540615 /nfs/dbraw/zinc/54/06/15/386540615.db2.gz XKLVKDXXHWBNKP-SNVBAGLBSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccccn2)cs1 ZINC000267425773 386540609 /nfs/dbraw/zinc/54/06/09/386540609.db2.gz XKLVKDXXHWBNKP-SNVBAGLBSA-N 1 2 247.367 3.040 20 0 BGADLO CC(C)[C@H](CNc1cccc[nH+]1)c1cccnc1 ZINC000267518449 188373086 /nfs/dbraw/zinc/37/30/86/188373086.db2.gz FHSCSBJKVKUDHD-AWEZNQCLSA-N 1 2 241.338 3.328 20 0 BGADLO CC(C)[C@@H](CNc1cccc[nH+]1)c1cccnc1 ZINC000267518450 167398071 /nfs/dbraw/zinc/39/80/71/167398071.db2.gz FHSCSBJKVKUDHD-CQSZACIVSA-N 1 2 241.338 3.328 20 0 BGADLO CCN(Cc1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000267559762 351315473 /nfs/dbraw/zinc/31/54/73/351315473.db2.gz ARAIRPKRXMJSGE-UHFFFAOYSA-N 1 2 249.745 3.100 20 0 BGADLO Cc1ccc(N(C)Cc2c[nH+]cn2C)cc1Cl ZINC000267562716 386553536 /nfs/dbraw/zinc/55/35/36/386553536.db2.gz BFNVQPVATIEEDN-UHFFFAOYSA-N 1 2 249.745 3.018 20 0 BGADLO CCc1ccc(N(CC)Cc2c[nH+]cn2C)cc1 ZINC000267604945 386559855 /nfs/dbraw/zinc/55/98/55/386559855.db2.gz MMHKMLVLMWVRIH-UHFFFAOYSA-N 1 2 243.354 3.009 20 0 BGADLO CCN(Cc1c[nH+]cn1C)c1cc(C)ccc1C ZINC000267611299 351317868 /nfs/dbraw/zinc/31/78/68/351317868.db2.gz NZIPOUOHEYZBDB-UHFFFAOYSA-N 1 2 243.354 3.063 20 0 BGADLO Cc1ccccc1CSCc1c[nH+]cn1C ZINC000267715710 179287003 /nfs/dbraw/zinc/28/70/03/179287003.db2.gz AGRIOTIRQRCRNS-UHFFFAOYSA-N 1 2 232.352 3.162 20 0 BGADLO Cn1c[nH+]cc1CSCC1CCCCC1 ZINC000267753774 386581120 /nfs/dbraw/zinc/58/11/20/386581120.db2.gz IDYDMYSIRKKBMM-UHFFFAOYSA-N 1 2 224.373 3.234 20 0 BGADLO Cc1cc([C@@H](C)Nc2cc[nH+]c(C)n2)ccc1F ZINC000267757143 180206316 /nfs/dbraw/zinc/20/63/16/180206316.db2.gz YKIDTNQYMGGQCW-SNVBAGLBSA-N 1 2 245.301 3.406 20 0 BGADLO OCCCCC[N@@H+](CC1CC1)c1ccccc1 ZINC000267760433 183045852 /nfs/dbraw/zinc/04/58/52/183045852.db2.gz QWDQFUNQCAPZQU-UHFFFAOYSA-N 1 2 233.355 3.066 20 0 BGADLO OCCCCC[N@H+](CC1CC1)c1ccccc1 ZINC000267760433 183045851 /nfs/dbraw/zinc/04/58/51/183045851.db2.gz QWDQFUNQCAPZQU-UHFFFAOYSA-N 1 2 233.355 3.066 20 0 BGADLO CC(C)c1cccc(OCc2c[nH+]cn2C)c1 ZINC000267780020 386583950 /nfs/dbraw/zinc/58/39/50/386583950.db2.gz NDJVPOAPYOFZIN-UHFFFAOYSA-N 1 2 230.311 3.123 20 0 BGADLO Cn1c[nH+]cc1CSCCCc1ccccc1 ZINC000267782729 386584542 /nfs/dbraw/zinc/58/45/42/386584542.db2.gz NUUDMWACEIPUSQ-UHFFFAOYSA-N 1 2 246.379 3.286 20 0 BGADLO Cn1c[nH+]cc1COc1cccc(C(C)(C)C)c1 ZINC000267798075 386587465 /nfs/dbraw/zinc/58/74/65/386587465.db2.gz PGXRXEIDECDGCK-UHFFFAOYSA-N 1 2 244.338 3.297 20 0 BGADLO Cn1c[nH+]cc1CSc1ccc2c(c1)CCC2 ZINC000267824152 386589062 /nfs/dbraw/zinc/58/90/62/386589062.db2.gz YKBJIBHYDJYBDX-UHFFFAOYSA-N 1 2 244.363 3.201 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)/C=C1\CC[C@H](C)C1 ZINC000267850587 386591965 /nfs/dbraw/zinc/59/19/65/386591965.db2.gz LCWNRVLPBJHAND-MJWAUXSNSA-N 1 2 230.311 3.075 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000267850588 386591812 /nfs/dbraw/zinc/59/18/12/386591812.db2.gz LCWNRVLPBJHAND-ZDIKFAODSA-N 1 2 230.311 3.075 20 0 BGADLO CCCC[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000267858673 386592468 /nfs/dbraw/zinc/59/24/68/386592468.db2.gz GEIYNZWVXVGIND-AWEZNQCLSA-N 1 2 235.327 3.066 20 0 BGADLO CCCC[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000267858675 168878836 /nfs/dbraw/zinc/87/88/36/168878836.db2.gz GEIYNZWVXVGIND-CQSZACIVSA-N 1 2 235.327 3.066 20 0 BGADLO Cc1cc(NC(=O)/C=C2\CC[C@H](C)C2)cc[nH+]1 ZINC000267927283 178123841 /nfs/dbraw/zinc/12/38/41/178123841.db2.gz FASMMUBSBQQLOA-LZAIMSLLSA-N 1 2 230.311 3.075 20 0 BGADLO Cc1cc(NC(=O)/C=C2\CC[C@@H](C)C2)cc[nH+]1 ZINC000267927288 178123399 /nfs/dbraw/zinc/12/33/99/178123399.db2.gz FASMMUBSBQQLOA-QSARLWQPSA-N 1 2 230.311 3.075 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)/C=C1/CC[C@H](C)C1 ZINC000267960059 351325420 /nfs/dbraw/zinc/32/54/20/351325420.db2.gz KJTYIMXMMUZATC-AWPPVZKDSA-N 1 2 244.338 3.329 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)/C=C1/CC[C@@H](C)C1 ZINC000267960069 351325119 /nfs/dbraw/zinc/32/51/19/351325119.db2.gz KJTYIMXMMUZATC-ZGSOTFDTSA-N 1 2 244.338 3.329 20 0 BGADLO Cc1ccc(NC(=O)/C=C2\CC[C@@H](C)C2)c(C)[nH+]1 ZINC000267974479 386605253 /nfs/dbraw/zinc/60/52/53/386605253.db2.gz DJTXBNKMRYLEES-QQMDNXKGSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1ccc(NC(=O)/C=C2\CC[C@H](C)C2)c(C)[nH+]1 ZINC000267974482 188023012 /nfs/dbraw/zinc/02/30/12/188023012.db2.gz DJTXBNKMRYLEES-YWEFTTLKSA-N 1 2 244.338 3.383 20 0 BGADLO c1cc2[nH+]ccc(NC(C3CC3)C3CC3)c2cn1 ZINC000267976846 183376735 /nfs/dbraw/zinc/37/67/35/183376735.db2.gz OEZQDCLKZKPEBV-UHFFFAOYSA-N 1 2 239.322 3.230 20 0 BGADLO Cc1ccc(NC(=O)CCC(C)(C)C)c(C)[nH+]1 ZINC000267978145 386605218 /nfs/dbraw/zinc/60/52/18/386605218.db2.gz FMCATOWJQYCYTA-UHFFFAOYSA-N 1 2 234.343 3.463 20 0 BGADLO CSC(C)(C)CNc1cc[nH+]c2ccncc12 ZINC000267982777 386606907 /nfs/dbraw/zinc/60/69/07/386606907.db2.gz POIFAKUBSBJCMM-UHFFFAOYSA-N 1 2 247.367 3.183 20 0 BGADLO CC(C)[C@@H]1CCCN1c1cc[nH+]c2ccncc21 ZINC000267984354 386606716 /nfs/dbraw/zinc/60/67/16/386606716.db2.gz PSVVTFWXIHMUGH-AWEZNQCLSA-N 1 2 241.338 3.255 20 0 BGADLO CC(C)[C@H]1CCCN1c1cc[nH+]c2ccncc21 ZINC000267984357 188373992 /nfs/dbraw/zinc/37/39/92/188373992.db2.gz PSVVTFWXIHMUGH-CQSZACIVSA-N 1 2 241.338 3.255 20 0 BGADLO Fc1ccc([C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000268000393 180982212 /nfs/dbraw/zinc/98/22/12/180982212.db2.gz BLFAQDBDRIKRLW-CYBMUJFWSA-N 1 2 242.297 3.215 20 0 BGADLO Fc1ccc([C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000268000397 386606596 /nfs/dbraw/zinc/60/65/96/386606596.db2.gz BLFAQDBDRIKRLW-ZDUSSCGKSA-N 1 2 242.297 3.215 20 0 BGADLO Cc1ccc(NC(=O)N(C)CC(C)(C)C)c(C)[nH+]1 ZINC000268002517 386606405 /nfs/dbraw/zinc/60/64/05/386606405.db2.gz CUVJKYJHNMPJOK-UHFFFAOYSA-N 1 2 249.358 3.208 20 0 BGADLO Cc1ccc(NC(=O)NCC2CCCC2)c(C)[nH+]1 ZINC000268004204 386606538 /nfs/dbraw/zinc/60/65/38/386606538.db2.gz DMMCKXKOBNFNGX-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO Cc1ccc(NC(=O)C2(C)CCCC2)c(C)[nH+]1 ZINC000268007715 386609408 /nfs/dbraw/zinc/60/94/08/386609408.db2.gz OWVSEYPKBQVOII-UHFFFAOYSA-N 1 2 232.327 3.217 20 0 BGADLO Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C)c(C)[nH+]1 ZINC000268012959 386609783 /nfs/dbraw/zinc/60/97/83/386609783.db2.gz HMRAPGQFXBARGF-BXKDBHETSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]2C)c(C)[nH+]1 ZINC000268012962 386609056 /nfs/dbraw/zinc/60/90/56/386609056.db2.gz HMRAPGQFXBARGF-CABZTGNLSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C)c(C)[nH+]1 ZINC000268012964 386610567 /nfs/dbraw/zinc/61/05/67/386610567.db2.gz HMRAPGQFXBARGF-JOYOIKCWSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)N[C@H]2CCC[C@H]2C)c(C)[nH+]1 ZINC000268012966 386611500 /nfs/dbraw/zinc/61/15/00/386611500.db2.gz HMRAPGQFXBARGF-SKDRFNHKSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)[C@H](C)C(C)(C)C)c(C)[nH+]1 ZINC000268017898 178746914 /nfs/dbraw/zinc/74/69/14/178746914.db2.gz SEQUYSNHHBQRAU-JTQLQIEISA-N 1 2 234.343 3.319 20 0 BGADLO Cc1ccc(NC(=O)[C@@H](C)C(C)(C)C)c(C)[nH+]1 ZINC000268017900 386609070 /nfs/dbraw/zinc/60/90/70/386609070.db2.gz SEQUYSNHHBQRAU-SNVBAGLBSA-N 1 2 234.343 3.319 20 0 BGADLO CCCCc1[nH+]c2ccccc2n1[C@H](C)[C@H](C)O ZINC000268017962 538916224 /nfs/dbraw/zinc/91/62/24/538916224.db2.gz CTVJUCYREVRVPW-NEPJUHHUSA-N 1 2 246.354 3.321 20 0 BGADLO CCCCc1[nH+]c2ccccc2n1[C@@H](C)[C@@H](C)O ZINC000268017963 538916089 /nfs/dbraw/zinc/91/60/89/538916089.db2.gz CTVJUCYREVRVPW-NWDGAFQWSA-N 1 2 246.354 3.321 20 0 BGADLO CCCCc1[nH+]c2ccccc2n1[C@@H](C)[C@H](C)O ZINC000268017964 538916422 /nfs/dbraw/zinc/91/64/22/538916422.db2.gz CTVJUCYREVRVPW-RYUDHWBXSA-N 1 2 246.354 3.321 20 0 BGADLO CCCCc1[nH+]c2ccccc2n1[C@H](C)[C@@H](C)O ZINC000268017965 538916393 /nfs/dbraw/zinc/91/63/93/538916393.db2.gz CTVJUCYREVRVPW-VXGBXAGGSA-N 1 2 246.354 3.321 20 0 BGADLO Cc1ccc(NC(=O)NC2(C)CCCC2)c(C)[nH+]1 ZINC000268039580 383984356 /nfs/dbraw/zinc/98/43/56/383984356.db2.gz SKIXQOQLXNINJC-UHFFFAOYSA-N 1 2 247.342 3.153 20 0 BGADLO Cc1ccc(NC(=O)N(C)[C@H](C)C(C)C)c(C)[nH+]1 ZINC000268046145 386613917 /nfs/dbraw/zinc/61/39/17/386613917.db2.gz WUQUQNHLUCVJTG-GFCCVEGCSA-N 1 2 249.358 3.207 20 0 BGADLO Cc1ccc(NC(=O)N(C)[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000268046146 386614655 /nfs/dbraw/zinc/61/46/55/386614655.db2.gz WUQUQNHLUCVJTG-LBPRGKRZSA-N 1 2 249.358 3.207 20 0 BGADLO CCC[C@@H](C)N(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268049940 169363415 /nfs/dbraw/zinc/36/34/15/169363415.db2.gz ZOVLHZJYCAMZMN-LLVKDONJSA-N 1 2 249.358 3.351 20 0 BGADLO CCC[C@H](C)N(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000268049942 386614602 /nfs/dbraw/zinc/61/46/02/386614602.db2.gz ZOVLHZJYCAMZMN-NSHDSACASA-N 1 2 249.358 3.351 20 0 BGADLO CCc1noc(C)c1C[N@@H+](C)Cc1ccoc1C ZINC000268137585 172075027 /nfs/dbraw/zinc/07/50/27/172075027.db2.gz JPSLTIWFKFYLSK-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1noc(C)c1C[N@H+](C)Cc1ccoc1C ZINC000268137585 172075026 /nfs/dbraw/zinc/07/50/26/172075026.db2.gz JPSLTIWFKFYLSK-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO c1cc2[nH+]ccc(N3CCC4(CCC4)C3)c2cn1 ZINC000268236700 183377272 /nfs/dbraw/zinc/37/72/72/183377272.db2.gz VUAOEZNBLXALEA-UHFFFAOYSA-N 1 2 239.322 3.010 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000268244800 351331378 /nfs/dbraw/zinc/33/13/78/351331378.db2.gz FNZMVGYTGWFHLC-NEPJUHHUSA-N 1 2 246.354 3.409 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000268244802 351331463 /nfs/dbraw/zinc/33/14/63/351331463.db2.gz FNZMVGYTGWFHLC-NWDGAFQWSA-N 1 2 246.354 3.409 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000268246027 351331479 /nfs/dbraw/zinc/33/14/79/351331479.db2.gz FNZMVGYTGWFHLC-RYUDHWBXSA-N 1 2 246.354 3.409 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000268246029 351331557 /nfs/dbraw/zinc/33/15/57/351331557.db2.gz FNZMVGYTGWFHLC-VXGBXAGGSA-N 1 2 246.354 3.409 20 0 BGADLO CCC(=CC(=O)Nc1cc[nH+]cc1CC)CC ZINC000268246278 168196166 /nfs/dbraw/zinc/19/61/66/168196166.db2.gz FZLHPSCKLLXRGW-UHFFFAOYSA-N 1 2 232.327 3.329 20 0 BGADLO CCc1ccc(C[N@@H+](C)Cc2cscn2)cc1 ZINC000268255921 171795337 /nfs/dbraw/zinc/79/53/37/171795337.db2.gz HXLNBXVGSOHUDS-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CCc1ccc(C[N@H+](C)Cc2cscn2)cc1 ZINC000268255921 171795335 /nfs/dbraw/zinc/79/53/35/171795335.db2.gz HXLNBXVGSOHUDS-UHFFFAOYSA-N 1 2 246.379 3.338 20 0 BGADLO CCC(=CC(=O)Nc1cccc2[nH+]ccn21)CC ZINC000268359555 168195322 /nfs/dbraw/zinc/19/53/22/168195322.db2.gz GQMPGJWLAQNLJY-UHFFFAOYSA-N 1 2 243.310 3.019 20 0 BGADLO Cc1cccc(C(C)C)c1NCc1c[nH+]cn1C ZINC000268490067 386658987 /nfs/dbraw/zinc/65/89/87/386658987.db2.gz VAAVXCIBLQVSPK-UHFFFAOYSA-N 1 2 243.354 3.464 20 0 BGADLO CCOCCC1(CNc2cccc[nH+]2)CCCC1 ZINC000268501774 188023269 /nfs/dbraw/zinc/02/32/69/188023269.db2.gz QGKHEHSIEYGHAZ-UHFFFAOYSA-N 1 2 248.370 3.481 20 0 BGADLO COCCC1(CNc2cccc[nH+]2)CCCC1 ZINC000268515467 174157040 /nfs/dbraw/zinc/15/70/40/174157040.db2.gz TXQCPDRPTOEKDS-UHFFFAOYSA-N 1 2 234.343 3.090 20 0 BGADLO Cl/C=C(\Cl)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000268632252 386673465 /nfs/dbraw/zinc/67/34/65/386673465.db2.gz FCKINOQGCNFXGO-DVBBHNHCSA-N 1 2 245.153 3.471 20 0 BGADLO Cl/C=C(\Cl)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000268632252 386673458 /nfs/dbraw/zinc/67/34/58/386673458.db2.gz FCKINOQGCNFXGO-DVBBHNHCSA-N 1 2 245.153 3.471 20 0 BGADLO Cl/C=C(\Cl)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000268632253 386671813 /nfs/dbraw/zinc/67/18/13/386671813.db2.gz FCKINOQGCNFXGO-GXMKHXEJSA-N 1 2 245.153 3.471 20 0 BGADLO Cl/C=C(\Cl)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000268632253 386671807 /nfs/dbraw/zinc/67/18/07/386671807.db2.gz FCKINOQGCNFXGO-GXMKHXEJSA-N 1 2 245.153 3.471 20 0 BGADLO C[N@@H+](C/C(Cl)=C/Cl)Cc1cccs1 ZINC000268644226 389003068 /nfs/dbraw/zinc/00/30/68/389003068.db2.gz IFCFXUYAVCGFKH-YVMONPNESA-N 1 2 236.167 3.499 20 0 BGADLO C[N@H+](C/C(Cl)=C/Cl)Cc1cccs1 ZINC000268644226 389003064 /nfs/dbraw/zinc/00/30/64/389003064.db2.gz IFCFXUYAVCGFKH-YVMONPNESA-N 1 2 236.167 3.499 20 0 BGADLO CCOCCC1(CNc2cccc[nH+]2)CCC1 ZINC000268876728 386710715 /nfs/dbraw/zinc/71/07/15/386710715.db2.gz VNVYOLHVJXXTIA-UHFFFAOYSA-N 1 2 234.343 3.090 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)no1 ZINC000268889744 178038764 /nfs/dbraw/zinc/03/87/64/178038764.db2.gz ZVWHSCLAGHODKS-LLVKDONJSA-N 1 2 248.301 3.281 20 0 BGADLO C[N@@H+](C/C=C/Cl)Cc1nc2ccccc2o1 ZINC000269317833 386778495 /nfs/dbraw/zinc/77/84/95/386778495.db2.gz KWKWWADKZLRFHB-QPJJXVBHSA-N 1 2 236.702 3.012 20 0 BGADLO C[N@H+](C/C=C/Cl)Cc1nc2ccccc2o1 ZINC000269317833 386778487 /nfs/dbraw/zinc/77/84/87/386778487.db2.gz KWKWWADKZLRFHB-QPJJXVBHSA-N 1 2 236.702 3.012 20 0 BGADLO CCSCC[C@@H](C)N(C)c1cccc[nH+]1 ZINC000269372558 386785645 /nfs/dbraw/zinc/78/56/45/386785645.db2.gz SNBJEGCOEBPIPV-LLVKDONJSA-N 1 2 224.373 3.050 20 0 BGADLO CCSCC[C@H](C)N(C)c1cccc[nH+]1 ZINC000269372561 386785163 /nfs/dbraw/zinc/78/51/63/386785163.db2.gz SNBJEGCOEBPIPV-NSHDSACASA-N 1 2 224.373 3.050 20 0 BGADLO C[C@@H](C[C@@H](O)c1ccccc1)Nc1cccc[nH+]1 ZINC000269382688 386785613 /nfs/dbraw/zinc/78/56/13/386785613.db2.gz PXBOMUJHGHXQDD-GXTWGEPZSA-N 1 2 242.322 3.006 20 0 BGADLO C[C@@H](C[C@H](O)c1ccccc1)Nc1cccc[nH+]1 ZINC000269382689 386785100 /nfs/dbraw/zinc/78/51/00/386785100.db2.gz PXBOMUJHGHXQDD-JSGCOSHPSA-N 1 2 242.322 3.006 20 0 BGADLO C[C@H](C[C@H](O)c1ccccc1)Nc1cccc[nH+]1 ZINC000269382690 386786910 /nfs/dbraw/zinc/78/69/10/386786910.db2.gz PXBOMUJHGHXQDD-OCCSQVGLSA-N 1 2 242.322 3.006 20 0 BGADLO C[C@H](C[C@@H](O)c1ccccc1)Nc1cccc[nH+]1 ZINC000269382691 386786815 /nfs/dbraw/zinc/78/68/15/386786815.db2.gz PXBOMUJHGHXQDD-TZMCWYRMSA-N 1 2 242.322 3.006 20 0 BGADLO CC(C)(O)COc1ccc([NH2+]C2CCCC2)cc1 ZINC000269428340 188023934 /nfs/dbraw/zinc/02/39/34/188023934.db2.gz GJGFXRBSTFAADM-UHFFFAOYSA-N 1 2 249.354 3.191 20 0 BGADLO c1csc(C[N@@H+](Cc2ccccc2)C2CC2)n1 ZINC000269640149 183396179 /nfs/dbraw/zinc/39/61/79/183396179.db2.gz JQINURKFPYYPJB-UHFFFAOYSA-N 1 2 244.363 3.308 20 0 BGADLO c1csc(C[N@H+](Cc2ccccc2)C2CC2)n1 ZINC000269640149 183396178 /nfs/dbraw/zinc/39/61/78/183396178.db2.gz JQINURKFPYYPJB-UHFFFAOYSA-N 1 2 244.363 3.308 20 0 BGADLO Cc1ccsc1C[N@@H+](C)Cc1nccs1 ZINC000269648456 385618092 /nfs/dbraw/zinc/61/80/92/385618092.db2.gz LNVVMVJRYGEWRM-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1ccsc1C[N@H+](C)Cc1nccs1 ZINC000269648456 385618085 /nfs/dbraw/zinc/61/80/85/385618085.db2.gz LNVVMVJRYGEWRM-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO CC(C)[N@@H+](Cc1ccco1)Cc1nccs1 ZINC000269686660 187335277 /nfs/dbraw/zinc/33/52/77/187335277.db2.gz VIFPRVPSATVSGU-UHFFFAOYSA-N 1 2 236.340 3.147 20 0 BGADLO CC(C)[N@H+](Cc1ccco1)Cc1nccs1 ZINC000269686660 187335275 /nfs/dbraw/zinc/33/52/75/187335275.db2.gz VIFPRVPSATVSGU-UHFFFAOYSA-N 1 2 236.340 3.147 20 0 BGADLO C/C=C(\C)C(=O)Nc1c[nH+]ccc1OC(C)(C)C ZINC000269871134 188025155 /nfs/dbraw/zinc/02/51/55/188025155.db2.gz GBWOBEUBFYPNQE-UXBLZVDNSA-N 1 2 248.326 3.164 20 0 BGADLO Cc1ccc(NC(=O)C(C2CC2)C2CC2)c(C)[nH+]1 ZINC000269923283 385647544 /nfs/dbraw/zinc/64/75/44/385647544.db2.gz HALHKJPSMQIMOM-UHFFFAOYSA-N 1 2 244.338 3.073 20 0 BGADLO Cc1cc(NC2(C)CCC2)nc(C2CC2)[nH+]1 ZINC000269980796 178153910 /nfs/dbraw/zinc/15/39/10/178153910.db2.gz QZRBTZQUKQBJMN-UHFFFAOYSA-N 1 2 217.316 3.017 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C(C1CC1)C1CC1 ZINC000270008991 411425939 /nfs/dbraw/zinc/42/59/39/411425939.db2.gz LLUXKKNJPSOMKB-UHFFFAOYSA-N 1 2 244.338 3.019 20 0 BGADLO CC1=CC[N@@H+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000270114330 168114335 /nfs/dbraw/zinc/11/43/35/168114335.db2.gz DPEKJZBAGCXTGD-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC1=CC[N@H+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000270114330 168114331 /nfs/dbraw/zinc/11/43/31/168114331.db2.gz DPEKJZBAGCXTGD-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CCCc1nc(C[N@@H+]2CC=C(C)CC2)cs1 ZINC000270140774 385676224 /nfs/dbraw/zinc/67/62/24/385676224.db2.gz IIKOJVJWFLJGAG-UHFFFAOYSA-N 1 2 236.384 3.248 20 0 BGADLO CCCc1nc(C[N@H+]2CC=C(C)CC2)cs1 ZINC000270140774 385676219 /nfs/dbraw/zinc/67/62/19/385676219.db2.gz IIKOJVJWFLJGAG-UHFFFAOYSA-N 1 2 236.384 3.248 20 0 BGADLO CCSc1ccccc1OCc1c[nH+]cn1C ZINC000270161775 385677782 /nfs/dbraw/zinc/67/77/82/385677782.db2.gz YUVYNCMAIXEJRZ-UHFFFAOYSA-N 1 2 248.351 3.111 20 0 BGADLO COc1cc(C)[nH+]c(CN(C)c2ccccc2)c1 ZINC000270188176 385682954 /nfs/dbraw/zinc/68/29/54/385682954.db2.gz AUFWLXXUUPXJJK-UHFFFAOYSA-N 1 2 242.322 3.035 20 0 BGADLO CC1=CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000270242195 132195964 /nfs/dbraw/zinc/19/59/64/132195964.db2.gz WTELIXGZNAAJEV-UHFFFAOYSA-N 1 2 242.244 3.257 20 0 BGADLO CCCCc1noc([C@@H](C)[N@@H+]2CC=C(C)CC2)n1 ZINC000270356739 169030451 /nfs/dbraw/zinc/03/04/51/169030451.db2.gz QSXRABXLOPDYNV-GFCCVEGCSA-N 1 2 249.358 3.125 20 0 BGADLO CCCCc1noc([C@@H](C)[N@H+]2CC=C(C)CC2)n1 ZINC000270356739 169030449 /nfs/dbraw/zinc/03/04/49/169030449.db2.gz QSXRABXLOPDYNV-GFCCVEGCSA-N 1 2 249.358 3.125 20 0 BGADLO CCCCc1noc([C@H](C)[N@@H+]2CC=C(C)CC2)n1 ZINC000270356740 169032452 /nfs/dbraw/zinc/03/24/52/169032452.db2.gz QSXRABXLOPDYNV-LBPRGKRZSA-N 1 2 249.358 3.125 20 0 BGADLO CCCCc1noc([C@H](C)[N@H+]2CC=C(C)CC2)n1 ZINC000270356740 169032450 /nfs/dbraw/zinc/03/24/50/169032450.db2.gz QSXRABXLOPDYNV-LBPRGKRZSA-N 1 2 249.358 3.125 20 0 BGADLO CC(C)(C)C1=CC[N@@H+](Cc2cscn2)CC1 ZINC000270410725 385705698 /nfs/dbraw/zinc/70/56/98/385705698.db2.gz XLRRVGACQWSOSW-UHFFFAOYSA-N 1 2 236.384 3.321 20 0 BGADLO CC(C)(C)C1=CC[N@H+](Cc2cscn2)CC1 ZINC000270410725 385705690 /nfs/dbraw/zinc/70/56/90/385705690.db2.gz XLRRVGACQWSOSW-UHFFFAOYSA-N 1 2 236.384 3.321 20 0 BGADLO Cc1occc1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000270534595 385715521 /nfs/dbraw/zinc/71/55/21/385715521.db2.gz GIIKBZJSWBOJRW-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1occc1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000270534595 385715516 /nfs/dbraw/zinc/71/55/16/385715516.db2.gz GIIKBZJSWBOJRW-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO C[N@@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1 ZINC000270623455 385724296 /nfs/dbraw/zinc/72/42/96/385724296.db2.gz PHJXDGFKWJQDJZ-UHFFFAOYSA-N 1 2 242.322 3.184 20 0 BGADLO C[N@H+](Cc1ncc(C2CC2)o1)Cc1ccccc1 ZINC000270623455 385724294 /nfs/dbraw/zinc/72/42/94/385724294.db2.gz PHJXDGFKWJQDJZ-UHFFFAOYSA-N 1 2 242.322 3.184 20 0 BGADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000270655908 176031837 /nfs/dbraw/zinc/03/18/37/176031837.db2.gz UVELDBBMWVSDHR-JTQLQIEISA-N 1 2 246.310 3.338 20 0 BGADLO C[C@@H](c1ccco1)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000270655908 176031836 /nfs/dbraw/zinc/03/18/36/176031836.db2.gz UVELDBBMWVSDHR-JTQLQIEISA-N 1 2 246.310 3.338 20 0 BGADLO C[C@H](c1ccco1)[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000270655913 177047922 /nfs/dbraw/zinc/04/79/22/177047922.db2.gz UVELDBBMWVSDHR-SNVBAGLBSA-N 1 2 246.310 3.338 20 0 BGADLO C[C@H](c1ccco1)[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000270655913 177047920 /nfs/dbraw/zinc/04/79/20/177047920.db2.gz UVELDBBMWVSDHR-SNVBAGLBSA-N 1 2 246.310 3.338 20 0 BGADLO C[N@@H+](Cc1cccs1)Cc1ncc(C2CC2)o1 ZINC000270668219 385728172 /nfs/dbraw/zinc/72/81/72/385728172.db2.gz WVNZPQXLBTYYIO-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@H+](Cc1cccs1)Cc1ncc(C2CC2)o1 ZINC000270668219 385728167 /nfs/dbraw/zinc/72/81/67/385728167.db2.gz WVNZPQXLBTYYIO-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO CC(C)(C)[C@@H]1C[C@H](Nc2cccc[nH+]2)CCO1 ZINC000270681606 188198286 /nfs/dbraw/zinc/19/82/86/188198286.db2.gz CMDVPLHLKWQUOS-NEPJUHHUSA-N 1 2 234.343 3.087 20 0 BGADLO CC(C)(C)[C@H]1C[C@@H](Nc2cccc[nH+]2)CCO1 ZINC000270681607 188025662 /nfs/dbraw/zinc/02/56/62/188025662.db2.gz CMDVPLHLKWQUOS-NWDGAFQWSA-N 1 2 234.343 3.087 20 0 BGADLO CC(C)(C)[C@@H]1C[C@@H](Nc2cccc[nH+]2)CCO1 ZINC000270681608 411427780 /nfs/dbraw/zinc/42/77/80/411427780.db2.gz CMDVPLHLKWQUOS-RYUDHWBXSA-N 1 2 234.343 3.087 20 0 BGADLO CC(C)(C)[C@H]1C[C@H](Nc2cccc[nH+]2)CCO1 ZINC000270681609 411428438 /nfs/dbraw/zinc/42/84/38/411428438.db2.gz CMDVPLHLKWQUOS-VXGBXAGGSA-N 1 2 234.343 3.087 20 0 BGADLO Cl/C=C(\Cl)C[N@H+]1CCc2ccsc2C1 ZINC000270891228 385756196 /nfs/dbraw/zinc/75/61/96/385756196.db2.gz LHUACLJADCURRV-UITAMQMPSA-N 1 2 248.178 3.425 20 0 BGADLO Cl/C=C(\Cl)C[N@@H+]1CCc2ccsc2C1 ZINC000270891228 385756191 /nfs/dbraw/zinc/75/61/91/385756191.db2.gz LHUACLJADCURRV-UITAMQMPSA-N 1 2 248.178 3.425 20 0 BGADLO CCN(C(=O)Nc1cc[nH+]c(C)c1)[C@H](C)C(C)C ZINC000270975676 385764585 /nfs/dbraw/zinc/76/45/85/385764585.db2.gz ALPDQBJRNOEWEJ-GFCCVEGCSA-N 1 2 249.358 3.288 20 0 BGADLO CCN(C(=O)Nc1cc[nH+]c(C)c1)[C@@H](C)C(C)C ZINC000270975679 385764137 /nfs/dbraw/zinc/76/41/37/385764137.db2.gz ALPDQBJRNOEWEJ-LBPRGKRZSA-N 1 2 249.358 3.288 20 0 BGADLO CC[N@@H+](C/C(Cl)=C/Cl)Cc1ccncc1 ZINC000270990360 385767527 /nfs/dbraw/zinc/76/75/27/385767527.db2.gz IDXRLICJOVYZJV-XFFZJAGNSA-N 1 2 245.153 3.223 20 0 BGADLO CC[N@H+](C/C(Cl)=C/Cl)Cc1ccncc1 ZINC000270990360 385767522 /nfs/dbraw/zinc/76/75/22/385767522.db2.gz IDXRLICJOVYZJV-XFFZJAGNSA-N 1 2 245.153 3.223 20 0 BGADLO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1csnn1 ZINC000271026109 179318622 /nfs/dbraw/zinc/31/86/22/179318622.db2.gz AJMGWQQTZDAIRT-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1csnn1 ZINC000271026109 179318620 /nfs/dbraw/zinc/31/86/20/179318620.db2.gz AJMGWQQTZDAIRT-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1csnn1 ZINC000271026117 179334683 /nfs/dbraw/zinc/33/46/83/179334683.db2.gz AJMGWQQTZDAIRT-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1[C@H](C)[N@H+](C)Cc1csnn1 ZINC000271026117 179334680 /nfs/dbraw/zinc/33/46/80/179334680.db2.gz AJMGWQQTZDAIRT-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO CCNc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000271054722 187336383 /nfs/dbraw/zinc/33/63/83/187336383.db2.gz CMJYLABYDDATLU-UHFFFAOYSA-N 1 2 239.322 3.034 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@H](C)c1ccccc1C ZINC000271061276 179318248 /nfs/dbraw/zinc/31/82/48/179318248.db2.gz XEZMULSDQIHDFI-CYBMUJFWSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](C)c1ccccc1C ZINC000271061276 179318245 /nfs/dbraw/zinc/31/82/45/179318245.db2.gz XEZMULSDQIHDFI-CYBMUJFWSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](C)c1ccccc1C ZINC000271061278 179333772 /nfs/dbraw/zinc/33/37/72/179333772.db2.gz XEZMULSDQIHDFI-ZDUSSCGKSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000271061278 179333770 /nfs/dbraw/zinc/33/37/70/179333770.db2.gz XEZMULSDQIHDFI-ZDUSSCGKSA-N 1 2 243.354 3.220 20 0 BGADLO CCC[C@@H](C)N(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000271063274 169363301 /nfs/dbraw/zinc/36/33/01/169363301.db2.gz LFGWYDXPCKPYTQ-LLVKDONJSA-N 1 2 235.331 3.042 20 0 BGADLO CCC[C@H](C)N(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000271063278 385782800 /nfs/dbraw/zinc/78/28/00/385782800.db2.gz LFGWYDXPCKPYTQ-NSHDSACASA-N 1 2 235.331 3.042 20 0 BGADLO Cc1cc(NC(=O)N2CCC[C@@H]2C(C)C)cc[nH+]1 ZINC000271071293 178137632 /nfs/dbraw/zinc/13/76/32/178137632.db2.gz NRRBDELCJTUAHE-CYBMUJFWSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(NC(=O)N2CCC[C@H]2C(C)C)cc[nH+]1 ZINC000271071294 178137452 /nfs/dbraw/zinc/13/74/52/178137452.db2.gz NRRBDELCJTUAHE-ZDUSSCGKSA-N 1 2 247.342 3.042 20 0 BGADLO FC(F)(F)CCSc1[nH+]cc2ccccn21 ZINC000271076348 180882032 /nfs/dbraw/zinc/88/20/32/180882032.db2.gz YSBFPLGAMOEXRP-UHFFFAOYSA-N 1 2 246.257 3.379 20 0 BGADLO Cc1[nH]ncc1C[N@H+](Cc1cccs1)C(C)C ZINC000271079246 385782410 /nfs/dbraw/zinc/78/24/10/385782410.db2.gz QFSQWQGNNCTCOQ-UHFFFAOYSA-N 1 2 249.383 3.190 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](Cc1cccs1)C(C)C ZINC000271079246 385782406 /nfs/dbraw/zinc/78/24/06/385782406.db2.gz QFSQWQGNNCTCOQ-UHFFFAOYSA-N 1 2 249.383 3.190 20 0 BGADLO CCCCN(C(=O)Nc1cc[nH+]c(C)c1)C1CC1 ZINC000271092921 385784823 /nfs/dbraw/zinc/78/48/23/385784823.db2.gz VPPYOMVMBWIHHR-UHFFFAOYSA-N 1 2 247.342 3.186 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)NCC1CCCCC1 ZINC000271115247 385788243 /nfs/dbraw/zinc/78/82/43/385788243.db2.gz HMQPELWWDPLQJU-UHFFFAOYSA-N 1 2 247.342 3.092 20 0 BGADLO CCN(C(=O)Nc1cc[nH+]cc1C)[C@H](C)C(C)C ZINC000271120094 169646011 /nfs/dbraw/zinc/64/60/11/169646011.db2.gz JGBUMQHKUGETEZ-GFCCVEGCSA-N 1 2 249.358 3.288 20 0 BGADLO CCN(C(=O)Nc1cc[nH+]cc1C)[C@@H](C)C(C)C ZINC000271120097 385790959 /nfs/dbraw/zinc/79/09/59/385790959.db2.gz JGBUMQHKUGETEZ-LBPRGKRZSA-N 1 2 249.358 3.288 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H]1C(C)C ZINC000271123209 385789924 /nfs/dbraw/zinc/78/99/24/385789924.db2.gz KBZJETRLVAMDAL-CYBMUJFWSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1CCC[C@H]1C(C)C ZINC000271123211 385790617 /nfs/dbraw/zinc/79/06/17/385790617.db2.gz KBZJETRLVAMDAL-ZDUSSCGKSA-N 1 2 247.342 3.042 20 0 BGADLO CCCN(CC(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000271126253 169104594 /nfs/dbraw/zinc/10/45/94/169104594.db2.gz LDXSPHTWQZBVKF-UHFFFAOYSA-N 1 2 249.358 3.290 20 0 BGADLO CCCN(CC(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000271132268 169104794 /nfs/dbraw/zinc/10/47/94/169104794.db2.gz NHICRYPAFFLZDP-UHFFFAOYSA-N 1 2 249.358 3.290 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)CC1(C)C ZINC000271132272 384723711 /nfs/dbraw/zinc/72/37/11/384723711.db2.gz NHJTWBFRPRXJJT-JTQLQIEISA-N 1 2 247.342 3.042 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)CC1(C)C ZINC000271132277 384725947 /nfs/dbraw/zinc/72/59/47/384725947.db2.gz NHJTWBFRPRXJJT-SNVBAGLBSA-N 1 2 247.342 3.042 20 0 BGADLO CCC[C@@H](C)N(C)C(=O)Nc1cc[nH+]cc1C ZINC000271141582 169363045 /nfs/dbraw/zinc/36/30/45/169363045.db2.gz QFJQVPSFYMFNGQ-LLVKDONJSA-N 1 2 235.331 3.042 20 0 BGADLO CCC[C@H](C)N(C)C(=O)Nc1cc[nH+]cc1C ZINC000271141584 169485958 /nfs/dbraw/zinc/48/59/58/169485958.db2.gz QFJQVPSFYMFNGQ-NSHDSACASA-N 1 2 235.331 3.042 20 0 BGADLO Cc1cc(NC(=O)N2C[C@@H](C)CC2(C)C)cc[nH+]1 ZINC000271146547 178137383 /nfs/dbraw/zinc/13/73/83/178137383.db2.gz RWKJTBHRKOCEBI-JTQLQIEISA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc(NC(=O)N2C[C@H](C)CC2(C)C)cc[nH+]1 ZINC000271146548 178137448 /nfs/dbraw/zinc/13/74/48/178137448.db2.gz RWKJTBHRKOCEBI-SNVBAGLBSA-N 1 2 247.342 3.042 20 0 BGADLO CCCCN(C(=O)Nc1cc[nH+]cc1C)C1CC1 ZINC000271147541 385793178 /nfs/dbraw/zinc/79/31/78/385793178.db2.gz RWSAXGZHXCRBDO-UHFFFAOYSA-N 1 2 247.342 3.186 20 0 BGADLO CCc1ncc(C[NH+]2Cc3ccccc3C2)s1 ZINC000271179743 172017380 /nfs/dbraw/zinc/01/73/80/172017380.db2.gz WFHQEYLJJXFINP-UHFFFAOYSA-N 1 2 244.363 3.221 20 0 BGADLO C/C(=C\c1ccccc1)C[N@H+](C)Cc1ccon1 ZINC000271181806 385800494 /nfs/dbraw/zinc/80/04/94/385800494.db2.gz HZAVMHRJWDMAJU-JLHYYAGUSA-N 1 2 242.322 3.210 20 0 BGADLO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ccon1 ZINC000271181806 385800488 /nfs/dbraw/zinc/80/04/88/385800488.db2.gz HZAVMHRJWDMAJU-JLHYYAGUSA-N 1 2 242.322 3.210 20 0 BGADLO Cc1cc(C)c(C[N@@H+](C)Cc2ccon2)cc1C ZINC000271219450 385806851 /nfs/dbraw/zinc/80/68/51/385806851.db2.gz YGABEQKEYPSXLN-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cc(C)c(C[N@H+](C)Cc2ccon2)cc1C ZINC000271219450 385806849 /nfs/dbraw/zinc/80/68/49/385806849.db2.gz YGABEQKEYPSXLN-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cnc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000271327236 385817630 /nfs/dbraw/zinc/81/76/30/385817630.db2.gz DNVRLLVXVNVHTD-GFCCVEGCSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000271327236 385817627 /nfs/dbraw/zinc/81/76/27/385817627.db2.gz DNVRLLVXVNVHTD-GFCCVEGCSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1cnc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)s1 ZINC000271327238 385819841 /nfs/dbraw/zinc/81/98/41/385819841.db2.gz DNVRLLVXVNVHTD-LBPRGKRZSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1cnc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)s1 ZINC000271327238 385819837 /nfs/dbraw/zinc/81/98/37/385819837.db2.gz DNVRLLVXVNVHTD-LBPRGKRZSA-N 1 2 247.367 3.117 20 0 BGADLO FC(F)C[N@@H+](Cc1ccccc1)C1CCC1 ZINC000271350955 538924208 /nfs/dbraw/zinc/92/42/08/538924208.db2.gz LJCPJFGUHBWWDK-UHFFFAOYSA-N 1 2 225.282 3.306 20 0 BGADLO FC(F)C[N@H+](Cc1ccccc1)C1CCC1 ZINC000271350955 538924207 /nfs/dbraw/zinc/92/42/07/538924207.db2.gz LJCPJFGUHBWWDK-UHFFFAOYSA-N 1 2 225.282 3.306 20 0 BGADLO CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc[nH+]cc1C ZINC000271354062 385820922 /nfs/dbraw/zinc/82/09/22/385820922.db2.gz DSQSSYMSTMLPSU-NEPJUHHUSA-N 1 2 247.342 3.185 20 0 BGADLO CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc[nH+]cc1C ZINC000271354065 171050879 /nfs/dbraw/zinc/05/08/79/171050879.db2.gz DSQSSYMSTMLPSU-NWDGAFQWSA-N 1 2 247.342 3.185 20 0 BGADLO CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc[nH+]cc1C ZINC000271354068 385821758 /nfs/dbraw/zinc/82/17/58/385821758.db2.gz DSQSSYMSTMLPSU-RYUDHWBXSA-N 1 2 247.342 3.185 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc[nH+]cc1C ZINC000271354071 171034494 /nfs/dbraw/zinc/03/44/94/171034494.db2.gz DSQSSYMSTMLPSU-VXGBXAGGSA-N 1 2 247.342 3.185 20 0 BGADLO Cc1nnc(C[N@H+](C)[C@@H](C)c2ccccc2)s1 ZINC000271418148 385825932 /nfs/dbraw/zinc/82/59/32/385825932.db2.gz LJPBAJTWWKUMNY-JTQLQIEISA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nnc(C[N@@H+](C)[C@@H](C)c2ccccc2)s1 ZINC000271418148 385825929 /nfs/dbraw/zinc/82/59/29/385825929.db2.gz LJPBAJTWWKUMNY-JTQLQIEISA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nnc(C[N@H+](C)[C@H](C)c2ccccc2)s1 ZINC000271418150 385825798 /nfs/dbraw/zinc/82/57/98/385825798.db2.gz LJPBAJTWWKUMNY-SNVBAGLBSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nnc(C[N@@H+](C)[C@H](C)c2ccccc2)s1 ZINC000271418150 385825796 /nfs/dbraw/zinc/82/57/96/385825796.db2.gz LJPBAJTWWKUMNY-SNVBAGLBSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2ccccc2C)s1 ZINC000271427424 385827753 /nfs/dbraw/zinc/82/77/53/385827753.db2.gz ATVSJUAERWTAEP-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2ccccc2C)s1 ZINC000271427424 385827746 /nfs/dbraw/zinc/82/77/46/385827746.db2.gz ATVSJUAERWTAEP-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2cccs2)s1 ZINC000271443062 385828748 /nfs/dbraw/zinc/82/87/48/385828748.db2.gz CUGNULIFRVFXTQ-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2cccs2)s1 ZINC000271443062 385828745 /nfs/dbraw/zinc/82/87/45/385828745.db2.gz CUGNULIFRVFXTQ-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO CC[C@@H]1CC[C@H](C)N1c1cc[nH+]c(C2CC2)n1 ZINC000271449898 171056235 /nfs/dbraw/zinc/05/62/35/171056235.db2.gz PIHWZTGLRSKOGC-CMPLNLGQSA-N 1 2 231.343 3.121 20 0 BGADLO CC[C@H]1CC[C@H](C)N1c1cc[nH+]c(C2CC2)n1 ZINC000271449901 411430778 /nfs/dbraw/zinc/43/07/78/411430778.db2.gz PIHWZTGLRSKOGC-JQWIXIFHSA-N 1 2 231.343 3.121 20 0 BGADLO CC[C@H]1CC[C@@H](C)N1c1cc[nH+]c(C2CC2)n1 ZINC000271449904 411430665 /nfs/dbraw/zinc/43/06/65/411430665.db2.gz PIHWZTGLRSKOGC-PWSUYJOCSA-N 1 2 231.343 3.121 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N1c1cc[nH+]c(C2CC2)n1 ZINC000271449907 171037318 /nfs/dbraw/zinc/03/73/18/171037318.db2.gz PIHWZTGLRSKOGC-ZYHUDNBSSA-N 1 2 231.343 3.121 20 0 BGADLO CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc[nH+]c(C)c1 ZINC000271469305 385831059 /nfs/dbraw/zinc/83/10/59/385831059.db2.gz QVCMMVBEJDHKIL-AAEUAGOBSA-N 1 2 247.342 3.185 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc[nH+]c(C)c1 ZINC000271469306 171033648 /nfs/dbraw/zinc/03/36/48/171033648.db2.gz QVCMMVBEJDHKIL-DGCLKSJQSA-N 1 2 247.342 3.185 20 0 BGADLO CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc[nH+]c(C)c1 ZINC000271469307 171051321 /nfs/dbraw/zinc/05/13/21/171051321.db2.gz QVCMMVBEJDHKIL-WCQYABFASA-N 1 2 247.342 3.185 20 0 BGADLO CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc[nH+]c(C)c1 ZINC000271469308 385830856 /nfs/dbraw/zinc/83/08/56/385830856.db2.gz QVCMMVBEJDHKIL-YPMHNXCESA-N 1 2 247.342 3.185 20 0 BGADLO CC[C@H]1CC[C@@H](C)N1c1cc[nH+]c2ccncc21 ZINC000271517781 487637507 /nfs/dbraw/zinc/63/75/07/487637507.db2.gz ZNVZGKJIRXCQAP-NEPJUHHUSA-N 1 2 241.338 3.397 20 0 BGADLO CC[C@@H]1CC[C@H](C)N1c1cc[nH+]c2ccncc21 ZINC000271517785 171055461 /nfs/dbraw/zinc/05/54/61/171055461.db2.gz ZNVZGKJIRXCQAP-NWDGAFQWSA-N 1 2 241.338 3.397 20 0 BGADLO CC[C@H]1CC[C@H](C)N1c1cc[nH+]c2ccncc21 ZINC000271517787 487637846 /nfs/dbraw/zinc/63/78/46/487637846.db2.gz ZNVZGKJIRXCQAP-RYUDHWBXSA-N 1 2 241.338 3.397 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N1c1cc[nH+]c2ccncc21 ZINC000271517790 171039121 /nfs/dbraw/zinc/03/91/21/171039121.db2.gz ZNVZGKJIRXCQAP-VXGBXAGGSA-N 1 2 241.338 3.397 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2cccc(C)c2)s1 ZINC000271524618 179069977 /nfs/dbraw/zinc/06/99/77/179069977.db2.gz NLCZUOIOAMBOMY-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2cccc(C)c2)s1 ZINC000271524618 179069975 /nfs/dbraw/zinc/06/99/75/179069975.db2.gz NLCZUOIOAMBOMY-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO CSc1cccc(NCc2c[nH+]cn2C)c1C ZINC000271577817 385838159 /nfs/dbraw/zinc/83/81/59/385838159.db2.gz BHUROJMRISNALW-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO CSc1cccc(NCc2[nH+]ccn2C)c1C ZINC000271654443 385843329 /nfs/dbraw/zinc/84/33/29/385843329.db2.gz VVPHAVBJKNWZRL-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO CSc1cccc(NCc2[nH]cc[nH+]2)c1C ZINC000271655034 384628075 /nfs/dbraw/zinc/62/80/75/384628075.db2.gz JXSVKGDFFQSOCH-UHFFFAOYSA-N 1 2 233.340 3.052 20 0 BGADLO CC[C@@H](CSC)Nc1cc[nH+]c2ccncc12 ZINC000271735019 487639878 /nfs/dbraw/zinc/63/98/78/487639878.db2.gz UTSHMMLLRIUBLV-JTQLQIEISA-N 1 2 247.367 3.183 20 0 BGADLO CC[C@H](CSC)Nc1cc[nH+]c2ccncc12 ZINC000271735020 487639516 /nfs/dbraw/zinc/63/95/16/487639516.db2.gz UTSHMMLLRIUBLV-SNVBAGLBSA-N 1 2 247.367 3.183 20 0 BGADLO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccccc1 ZINC000271744924 385848290 /nfs/dbraw/zinc/84/82/90/385848290.db2.gz XGAXHGODGBTVND-LLVKDONJSA-N 1 2 242.322 3.403 20 0 BGADLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccccc1 ZINC000271744926 385848721 /nfs/dbraw/zinc/84/87/21/385848721.db2.gz XGAXHGODGBTVND-NSHDSACASA-N 1 2 242.322 3.403 20 0 BGADLO CSc1ccc(C)c(NCc2c[nH+]cn2C)c1 ZINC000271784241 188199094 /nfs/dbraw/zinc/19/90/94/188199094.db2.gz FQXOFBCHANQHHB-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO Cc1cnc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)o1 ZINC000271804504 385851545 /nfs/dbraw/zinc/85/15/45/385851545.db2.gz PXKFLEIQULGJCM-LLVKDONJSA-N 1 2 248.301 3.281 20 0 BGADLO CSc1ccc(C)c(NCc2[nH]cc[nH+]2)c1 ZINC000271822897 389026303 /nfs/dbraw/zinc/02/63/03/389026303.db2.gz KYJQLDHYKWZXQE-UHFFFAOYSA-N 1 2 233.340 3.052 20 0 BGADLO Cc1ccc(N(C)CCCn2cc[nH+]c2)cc1C ZINC000271881639 385856330 /nfs/dbraw/zinc/85/63/30/385856330.db2.gz CCIPSZKKHBDFMM-UHFFFAOYSA-N 1 2 243.354 3.026 20 0 BGADLO COc1cc(C)[nH+]c(CSC(C)C)c1 ZINC000271915382 385860520 /nfs/dbraw/zinc/86/05/20/385860520.db2.gz BFFJWNXSYDWEKJ-UHFFFAOYSA-N 1 2 211.330 3.040 20 0 BGADLO C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1cscn1 ZINC000271946050 385863221 /nfs/dbraw/zinc/86/32/21/385863221.db2.gz CUNNTGBYJZHFBK-LLVKDONJSA-N 1 2 244.363 3.483 20 0 BGADLO C[C@H]([NH2+]C1(c2ccccc2)CC1)c1cscn1 ZINC000271946052 385862507 /nfs/dbraw/zinc/86/25/07/385862507.db2.gz CUNNTGBYJZHFBK-NSHDSACASA-N 1 2 244.363 3.483 20 0 BGADLO CSc1ccc(C)c(NCc2[nH+]ccn2C)c1 ZINC000272007252 188376859 /nfs/dbraw/zinc/37/68/59/188376859.db2.gz VFHSILIIWINRID-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO CCN(CCCn1cc[nH+]c1)c1cccc(C)c1 ZINC000272009685 385867554 /nfs/dbraw/zinc/86/75/54/385867554.db2.gz SVZZIZLAVQBNEV-UHFFFAOYSA-N 1 2 243.354 3.108 20 0 BGADLO CC(C)C[C@@H]1C[C@H](Nc2cccc[nH+]2)CCO1 ZINC000272037138 188199007 /nfs/dbraw/zinc/19/90/07/188199007.db2.gz UFGKTZKPVJEROM-CHWSQXEVSA-N 1 2 234.343 3.087 20 0 BGADLO CC(C)C[C@H]1C[C@H](Nc2cccc[nH+]2)CCO1 ZINC000272037141 187336258 /nfs/dbraw/zinc/33/62/58/187336258.db2.gz UFGKTZKPVJEROM-OLZOCXBDSA-N 1 2 234.343 3.087 20 0 BGADLO CC(C)C[C@@H]1C[C@@H](Nc2cccc[nH+]2)CCO1 ZINC000272037144 385870408 /nfs/dbraw/zinc/87/04/08/385870408.db2.gz UFGKTZKPVJEROM-QWHCGFSZSA-N 1 2 234.343 3.087 20 0 BGADLO CC(C)C[C@H]1C[C@@H](Nc2cccc[nH+]2)CCO1 ZINC000272037147 385870703 /nfs/dbraw/zinc/87/07/03/385870703.db2.gz UFGKTZKPVJEROM-STQMWFEESA-N 1 2 234.343 3.087 20 0 BGADLO CC(C)CCCSCc1c[nH+]cn1C ZINC000272054437 166818901 /nfs/dbraw/zinc/81/89/01/166818901.db2.gz NTJDFRPCIMXTCZ-UHFFFAOYSA-N 1 2 212.362 3.090 20 0 BGADLO COc1cc(C)[nH+]c(CSCC2CC2)c1 ZINC000272068885 385873050 /nfs/dbraw/zinc/87/30/50/385873050.db2.gz QNUMNHSBLJWGTK-UHFFFAOYSA-N 1 2 223.341 3.042 20 0 BGADLO CCCSCc1cc(OC)cc(C)[nH+]1 ZINC000272093516 169339269 /nfs/dbraw/zinc/33/92/69/169339269.db2.gz VPPYDBSJYGHJHU-UHFFFAOYSA-N 1 2 211.330 3.042 20 0 BGADLO COCC[C@@H](Nc1cccc[nH+]1)c1ccc(C)o1 ZINC000272156598 174394733 /nfs/dbraw/zinc/39/47/33/174394733.db2.gz DNMPPNYXCVCSOH-GFCCVEGCSA-N 1 2 246.310 3.173 20 0 BGADLO COCC[C@H](Nc1cccc[nH+]1)c1ccc(C)o1 ZINC000272156600 385880095 /nfs/dbraw/zinc/88/00/95/385880095.db2.gz DNMPPNYXCVCSOH-LBPRGKRZSA-N 1 2 246.310 3.173 20 0 BGADLO CCC(CC)[C@@H]1C[C@@H](Nc2cccc[nH+]2)CCO1 ZINC000272166212 385879715 /nfs/dbraw/zinc/87/97/15/385879715.db2.gz GCYZTCVVBDUGDW-KBPBESRZSA-N 1 2 248.370 3.477 20 0 BGADLO CCC(CC)[C@@H]1C[C@H](Nc2cccc[nH+]2)CCO1 ZINC000272166214 385880364 /nfs/dbraw/zinc/88/03/64/385880364.db2.gz GCYZTCVVBDUGDW-KGLIPLIRSA-N 1 2 248.370 3.477 20 0 BGADLO CCC(CC)[C@H]1C[C@@H](Nc2cccc[nH+]2)CCO1 ZINC000272166216 385880549 /nfs/dbraw/zinc/88/05/49/385880549.db2.gz GCYZTCVVBDUGDW-UONOGXRCSA-N 1 2 248.370 3.477 20 0 BGADLO CCC(CC)[C@H]1C[C@H](Nc2cccc[nH+]2)CCO1 ZINC000272166217 385879764 /nfs/dbraw/zinc/87/97/64/385879764.db2.gz GCYZTCVVBDUGDW-ZIAGYGMSSA-N 1 2 248.370 3.477 20 0 BGADLO C[C@@H]([NH2+]Cc1cocn1)c1cccc(Cl)c1 ZINC000272181031 389029604 /nfs/dbraw/zinc/02/96/04/389029604.db2.gz QVRCHAVXPAQGAF-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO C[C@H]([NH2+]Cc1cocn1)c1cccc(Cl)c1 ZINC000272181033 389030121 /nfs/dbraw/zinc/03/01/21/389030121.db2.gz QVRCHAVXPAQGAF-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO C[C@@H]([NH2+]c1ccc(OCC(C)(C)O)cc1)C1CC1 ZINC000272310826 385892240 /nfs/dbraw/zinc/89/22/40/385892240.db2.gz WSIOZBKHVGTVCW-LLVKDONJSA-N 1 2 249.354 3.047 20 0 BGADLO C[C@H]([NH2+]c1ccc(OCC(C)(C)O)cc1)C1CC1 ZINC000272310829 385892835 /nfs/dbraw/zinc/89/28/35/385892835.db2.gz WSIOZBKHVGTVCW-NSHDSACASA-N 1 2 249.354 3.047 20 0 BGADLO COCCC[C@H](C)Nc1ccc(SC)c[nH+]1 ZINC000272331729 174264982 /nfs/dbraw/zinc/26/49/82/174264982.db2.gz XZKPIZOMFYKYFG-JTQLQIEISA-N 1 2 240.372 3.031 20 0 BGADLO COCCC[C@@H](C)Nc1ccc(SC)c[nH+]1 ZINC000272331731 174261518 /nfs/dbraw/zinc/26/15/18/174261518.db2.gz XZKPIZOMFYKYFG-SNVBAGLBSA-N 1 2 240.372 3.031 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)[C@H](C)CC ZINC000272558001 351485932 /nfs/dbraw/zinc/48/59/32/351485932.db2.gz VEPQXSXJVKGPJX-GHMZBOCLSA-N 1 2 234.343 3.265 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)[C@H](C)CC ZINC000272558003 351485608 /nfs/dbraw/zinc/48/56/08/351485608.db2.gz VEPQXSXJVKGPJX-MNOVXSKESA-N 1 2 234.343 3.265 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)[C@@H](C)CC ZINC000272558005 351485562 /nfs/dbraw/zinc/48/55/62/351485562.db2.gz VEPQXSXJVKGPJX-QWRGUYRKSA-N 1 2 234.343 3.265 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)[C@@H](C)CC ZINC000272558007 351485691 /nfs/dbraw/zinc/48/56/91/351485691.db2.gz VEPQXSXJVKGPJX-WDEREUQCSA-N 1 2 234.343 3.265 20 0 BGADLO Cc1ccc(NC2CC(OC(C)(C)C)C2)c[nH+]1 ZINC000272562551 385913152 /nfs/dbraw/zinc/91/31/52/385913152.db2.gz DZXVHYJPWCPVGM-UHFFFAOYSA-N 1 2 234.343 3.148 20 0 BGADLO C[C@@H]1CN(c2cccc[nH+]2)[C@H]2CCCC[C@@H]12 ZINC000272882845 176320315 /nfs/dbraw/zinc/32/03/15/176320315.db2.gz HJGBXECOPVRDDC-AGIUHOORSA-N 1 2 216.328 3.097 20 0 BGADLO C[C@@H]1CN(c2cccc[nH+]2)[C@@H]2CCCC[C@H]21 ZINC000272882846 176319964 /nfs/dbraw/zinc/31/99/64/176319964.db2.gz HJGBXECOPVRDDC-FRRDWIJNSA-N 1 2 216.328 3.097 20 0 BGADLO C[C@@H]1CN(c2cccc[nH+]2)[C@@H]2CCCC[C@@H]21 ZINC000272882847 176319818 /nfs/dbraw/zinc/31/98/18/176319818.db2.gz HJGBXECOPVRDDC-JHJVBQTASA-N 1 2 216.328 3.097 20 0 BGADLO C[C@@H]1CN(c2cccc[nH+]2)[C@H]2CCCC[C@H]12 ZINC000272882848 176320098 /nfs/dbraw/zinc/32/00/98/176320098.db2.gz HJGBXECOPVRDDC-UPJWGTAASA-N 1 2 216.328 3.097 20 0 BGADLO CSc1ccccc1C[N@@H+](C)Cc1ccon1 ZINC000272947485 385956000 /nfs/dbraw/zinc/95/60/00/385956000.db2.gz UILFJZYHSXVHJY-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO CSc1ccccc1C[N@H+](C)Cc1ccon1 ZINC000272947485 385955995 /nfs/dbraw/zinc/95/59/95/385955995.db2.gz UILFJZYHSXVHJY-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO Cc1csc([C@H](C)CNc2cccc[nH+]2)n1 ZINC000273184253 389039223 /nfs/dbraw/zinc/03/92/23/389039223.db2.gz BORXCCQXTSXHGA-SECBINFHSA-N 1 2 233.340 3.062 20 0 BGADLO Cc1csc([C@@H](C)CNc2cccc[nH+]2)n1 ZINC000273184254 389039434 /nfs/dbraw/zinc/03/94/34/389039434.db2.gz BORXCCQXTSXHGA-VIFPVBQESA-N 1 2 233.340 3.062 20 0 BGADLO Cc1nnc([C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000273192443 385977415 /nfs/dbraw/zinc/97/74/15/385977415.db2.gz NXQNLIJTJCVUCW-JTQLQIEISA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nnc([C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000273192443 385977410 /nfs/dbraw/zinc/97/74/10/385977410.db2.gz NXQNLIJTJCVUCW-JTQLQIEISA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000273192444 385977762 /nfs/dbraw/zinc/97/77/62/385977762.db2.gz NXQNLIJTJCVUCW-SNVBAGLBSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nnc([C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000273192444 385977757 /nfs/dbraw/zinc/97/77/57/385977757.db2.gz NXQNLIJTJCVUCW-SNVBAGLBSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc([C@H](C)CNc2cccc[nH+]2)s1 ZINC000273325363 385663179 /nfs/dbraw/zinc/66/31/79/385663179.db2.gz QELQDWOERNDQJP-SECBINFHSA-N 1 2 233.340 3.062 20 0 BGADLO Cc1cnc([C@@H](C)CNc2cccc[nH+]2)s1 ZINC000273325364 385662767 /nfs/dbraw/zinc/66/27/67/385662767.db2.gz QELQDWOERNDQJP-VIFPVBQESA-N 1 2 233.340 3.062 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccccc2C)no1 ZINC000273326098 180038174 /nfs/dbraw/zinc/03/81/74/180038174.db2.gz QXWISCYXLCKNEM-GHMZBOCLSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccccc2C)no1 ZINC000273326100 180051524 /nfs/dbraw/zinc/05/15/24/180051524.db2.gz QXWISCYXLCKNEM-MNOVXSKESA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)no1 ZINC000273326102 180051502 /nfs/dbraw/zinc/05/15/02/180051502.db2.gz QXWISCYXLCKNEM-QWRGUYRKSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)no1 ZINC000273326105 180038039 /nfs/dbraw/zinc/03/80/39/180038039.db2.gz QXWISCYXLCKNEM-WDEREUQCSA-N 1 2 245.326 3.098 20 0 BGADLO CC[N@H+](Cc1cccc2cc[nH]c21)CC(F)F ZINC000273358690 351523133 /nfs/dbraw/zinc/52/31/33/351523133.db2.gz CGQLOVJIPVVLAO-UHFFFAOYSA-N 1 2 238.281 3.255 20 0 BGADLO CC[N@@H+](Cc1cccc2cc[nH]c21)CC(F)F ZINC000273358690 351523130 /nfs/dbraw/zinc/52/31/30/351523130.db2.gz CGQLOVJIPVVLAO-UHFFFAOYSA-N 1 2 238.281 3.255 20 0 BGADLO Cc1ccc(F)c(C[N@@H+](C)Cc2ccccn2)c1 ZINC000273384567 385995726 /nfs/dbraw/zinc/99/57/26/385995726.db2.gz IIZPRFJOPJXVQT-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1ccc(F)c(C[N@H+](C)Cc2ccccn2)c1 ZINC000273384567 385995722 /nfs/dbraw/zinc/99/57/22/385995722.db2.gz IIZPRFJOPJXVQT-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Fc1cccc(SCCCn2cc[nH+]c2)c1 ZINC000273453919 386003537 /nfs/dbraw/zinc/00/35/37/386003537.db2.gz LRRLRMFFYARARI-UHFFFAOYSA-N 1 2 236.315 3.205 20 0 BGADLO CC[N@H+](Cc1ccc(OC)c(C)c1)CC(F)F ZINC000273532528 351535155 /nfs/dbraw/zinc/53/51/55/351535155.db2.gz VKQNAHSPBFFFRE-UHFFFAOYSA-N 1 2 243.297 3.091 20 0 BGADLO CC[N@@H+](Cc1ccc(OC)c(C)c1)CC(F)F ZINC000273532528 351535154 /nfs/dbraw/zinc/53/51/54/351535154.db2.gz VKQNAHSPBFFFRE-UHFFFAOYSA-N 1 2 243.297 3.091 20 0 BGADLO CCSCC[NH2+]c1ccc(N(C)C)c(C)c1 ZINC000273653397 386019866 /nfs/dbraw/zinc/01/98/66/386019866.db2.gz CVLXUYXDDXIAFS-UHFFFAOYSA-N 1 2 238.400 3.226 20 0 BGADLO CCSCCNc1ccc([NH+](C)C)c(C)c1 ZINC000273653397 386019862 /nfs/dbraw/zinc/01/98/62/386019862.db2.gz CVLXUYXDDXIAFS-UHFFFAOYSA-N 1 2 238.400 3.226 20 0 BGADLO CCC[C@H](C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273670361 397999728 /nfs/dbraw/zinc/99/97/28/397999728.db2.gz AFPRRYVTTWKFEG-JTQLQIEISA-N 1 2 245.326 3.267 20 0 BGADLO CCC[C@@H](C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273670362 169375204 /nfs/dbraw/zinc/37/52/04/169375204.db2.gz AFPRRYVTTWKFEG-SNVBAGLBSA-N 1 2 245.326 3.267 20 0 BGADLO CCSCC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000273790606 386034216 /nfs/dbraw/zinc/03/42/16/386034216.db2.gz UHGCDCSXKHVYBF-UHFFFAOYSA-N 1 2 247.367 3.037 20 0 BGADLO CCSCC[NH2+]c1ccc(N(C)C)cc1C ZINC000273807107 387462719 /nfs/dbraw/zinc/46/27/19/387462719.db2.gz WHBXREGOGUZMOE-UHFFFAOYSA-N 1 2 238.400 3.226 20 0 BGADLO CCSCCNc1ccc([NH+](C)C)cc1C ZINC000273807107 387462716 /nfs/dbraw/zinc/46/27/16/387462716.db2.gz WHBXREGOGUZMOE-UHFFFAOYSA-N 1 2 238.400 3.226 20 0 BGADLO CCSCC[NH2+]c1ccc2c(c1)CCCO2 ZINC000273827551 385928023 /nfs/dbraw/zinc/92/80/23/385928023.db2.gz YFKCBTWLICNOAW-UHFFFAOYSA-N 1 2 237.368 3.177 20 0 BGADLO CC/C=C(\C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273852375 386043087 /nfs/dbraw/zinc/04/30/87/386043087.db2.gz CPZVVBVAXWQJGL-BJMVGYQFSA-N 1 2 243.310 3.177 20 0 BGADLO CCC(CC)c1noc(Cc2ccc(C)[nH+]c2)n1 ZINC000273868008 386046686 /nfs/dbraw/zinc/04/66/86/386046686.db2.gz MZYMIUGUDPIKLO-UHFFFAOYSA-N 1 2 245.326 3.267 20 0 BGADLO CCCCCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273936152 386052743 /nfs/dbraw/zinc/05/27/43/386052743.db2.gz MMYGWAMYESXIMW-UHFFFAOYSA-N 1 2 245.326 3.097 20 0 BGADLO Cc1ccc(Cc2noc(C3CCCC3)n2)c[nH+]1 ZINC000273961495 386057839 /nfs/dbraw/zinc/05/78/39/386057839.db2.gz PCODALIRSFLPNH-UHFFFAOYSA-N 1 2 243.310 3.021 20 0 BGADLO CCC(C)(C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000273991504 168307178 /nfs/dbraw/zinc/30/71/78/168307178.db2.gz SSVWRXWVTSTCCB-UHFFFAOYSA-N 1 2 245.326 3.051 20 0 BGADLO CCC(CC)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000274029522 386062532 /nfs/dbraw/zinc/06/25/32/386062532.db2.gz YGYIZCSOWJHERM-UHFFFAOYSA-N 1 2 245.326 3.267 20 0 BGADLO c1cc(N2CC3(C2)CCCCC3)nc(C2CC2)[nH+]1 ZINC000274038858 183356041 /nfs/dbraw/zinc/35/60/41/183356041.db2.gz XOOIXUXVGAXQBP-UHFFFAOYSA-N 1 2 243.354 3.125 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)CC(C)C ZINC000274172109 386079882 /nfs/dbraw/zinc/07/98/82/386079882.db2.gz NCKJHGRPYKCSMN-LLVKDONJSA-N 1 2 234.343 3.265 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)CC(C)C ZINC000274172110 386079237 /nfs/dbraw/zinc/07/92/37/386079237.db2.gz NCKJHGRPYKCSMN-NSHDSACASA-N 1 2 234.343 3.265 20 0 BGADLO FC1=CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000274446174 386105123 /nfs/dbraw/zinc/10/51/23/386105123.db2.gz DBZQHIFFBVJBSL-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO FC1=CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000274446174 386105120 /nfs/dbraw/zinc/10/51/20/386105120.db2.gz DBZQHIFFBVJBSL-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO CCSc1cccc(C[NH2+]Cc2cocn2)c1 ZINC000274454993 386104850 /nfs/dbraw/zinc/10/48/50/386104850.db2.gz RTBKDMASZQMZHI-UHFFFAOYSA-N 1 2 248.351 3.076 20 0 BGADLO c1cc2[nH+]ccc(N3CCCC4(CC4)C3)c2cn1 ZINC000274469804 132203264 /nfs/dbraw/zinc/20/32/64/132203264.db2.gz MGSUMNHFRCXPCO-UHFFFAOYSA-N 1 2 239.322 3.010 20 0 BGADLO FC1=CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000274485594 386112022 /nfs/dbraw/zinc/11/20/22/386112022.db2.gz NOKCSIWRVJQSJE-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO FC1=CCC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000274485594 386112016 /nfs/dbraw/zinc/11/20/16/386112016.db2.gz NOKCSIWRVJQSJE-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO Cc1ccc(C[N@H+]2CCC=C(F)C2)s1 ZINC000274488231 386112302 /nfs/dbraw/zinc/11/23/02/386112302.db2.gz OKGDPRNUDZGQPF-UHFFFAOYSA-N 1 2 211.305 3.116 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC=C(F)C2)s1 ZINC000274488231 386112294 /nfs/dbraw/zinc/11/22/94/386112294.db2.gz OKGDPRNUDZGQPF-UHFFFAOYSA-N 1 2 211.305 3.116 20 0 BGADLO COc1ccc([NH2+]CCCC2CCOCC2)cc1 ZINC000274613591 175150768 /nfs/dbraw/zinc/15/07/68/175150768.db2.gz DDRFWLRWCDFWIM-UHFFFAOYSA-N 1 2 249.354 3.314 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@H]1CCCC1(C)C ZINC000274647997 351575896 /nfs/dbraw/zinc/57/58/96/351575896.db2.gz CXHLBJMLQSKEPM-GFCCVEGCSA-N 1 2 246.354 3.409 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CCCC1(C)C ZINC000274648001 351575558 /nfs/dbraw/zinc/57/55/58/351575558.db2.gz CXHLBJMLQSKEPM-LBPRGKRZSA-N 1 2 246.354 3.409 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000274655303 351575809 /nfs/dbraw/zinc/57/58/09/351575809.db2.gz MGRXGKSAVBTLHV-AAEUAGOBSA-N 1 2 246.354 3.409 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1CCC[C@H]1C ZINC000274655306 351575836 /nfs/dbraw/zinc/57/58/36/351575836.db2.gz MGRXGKSAVBTLHV-DGCLKSJQSA-N 1 2 246.354 3.409 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1CCC[C@@H]1C ZINC000274655309 351575802 /nfs/dbraw/zinc/57/58/02/351575802.db2.gz MGRXGKSAVBTLHV-WCQYABFASA-N 1 2 246.354 3.409 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1CCC[C@H]1C ZINC000274655312 351575780 /nfs/dbraw/zinc/57/57/80/351575780.db2.gz MGRXGKSAVBTLHV-YPMHNXCESA-N 1 2 246.354 3.409 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CCCC2(C)C)c(C)[nH+]1 ZINC000274660296 582461855 /nfs/dbraw/zinc/46/18/55/582461855.db2.gz FIZGQWVBFZTPTH-GFCCVEGCSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CCCC2(C)C)c(C)[nH+]1 ZINC000274660298 178741879 /nfs/dbraw/zinc/74/18/79/178741879.db2.gz FIZGQWVBFZTPTH-LBPRGKRZSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@H]1CCCC1(C)C ZINC000274711263 386143335 /nfs/dbraw/zinc/14/33/35/386143335.db2.gz UNBNTFFWFXSCLO-LLVKDONJSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CCCC1(C)C ZINC000274711267 386142363 /nfs/dbraw/zinc/14/23/63/386142363.db2.gz UNBNTFFWFXSCLO-NSHDSACASA-N 1 2 232.327 3.155 20 0 BGADLO CC(C)C[C@H]1OCCC[C@H]1Nc1cccc[nH+]1 ZINC000274744118 386144634 /nfs/dbraw/zinc/14/46/34/386144634.db2.gz FZGMPYIQZQWVRJ-CHWSQXEVSA-N 1 2 234.343 3.087 20 0 BGADLO CC(C)C[C@@H]1OCCC[C@H]1Nc1cccc[nH+]1 ZINC000274744119 386144499 /nfs/dbraw/zinc/14/44/99/386144499.db2.gz FZGMPYIQZQWVRJ-OLZOCXBDSA-N 1 2 234.343 3.087 20 0 BGADLO CC(C)C[C@H]1OCCC[C@@H]1Nc1cccc[nH+]1 ZINC000274744120 386144447 /nfs/dbraw/zinc/14/44/47/386144447.db2.gz FZGMPYIQZQWVRJ-QWHCGFSZSA-N 1 2 234.343 3.087 20 0 BGADLO CC(C)C[C@@H]1OCCC[C@@H]1Nc1cccc[nH+]1 ZINC000274744121 187337711 /nfs/dbraw/zinc/33/77/11/187337711.db2.gz FZGMPYIQZQWVRJ-STQMWFEESA-N 1 2 234.343 3.087 20 0 BGADLO CCCc1cccc(C[N@@H+](C)Cc2ccon2)c1 ZINC000274864767 386159798 /nfs/dbraw/zinc/15/97/98/386159798.db2.gz TVDNSQSKRQSBAF-UHFFFAOYSA-N 1 2 244.338 3.259 20 0 BGADLO CCCc1cccc(C[N@H+](C)Cc2ccon2)c1 ZINC000274864767 386159792 /nfs/dbraw/zinc/15/97/92/386159792.db2.gz TVDNSQSKRQSBAF-UHFFFAOYSA-N 1 2 244.338 3.259 20 0 BGADLO Cc1ccc(C(=O)CC[N@H+]2CCC=C(F)C2)cc1 ZINC000274878876 386159613 /nfs/dbraw/zinc/15/96/13/386159613.db2.gz ZCRQYTRYZFTQMD-UHFFFAOYSA-N 1 2 247.313 3.127 20 0 BGADLO Cc1ccc(C(=O)CC[N@@H+]2CCC=C(F)C2)cc1 ZINC000274878876 386159610 /nfs/dbraw/zinc/15/96/10/386159610.db2.gz ZCRQYTRYZFTQMD-UHFFFAOYSA-N 1 2 247.313 3.127 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000275000715 386169633 /nfs/dbraw/zinc/16/96/33/386169633.db2.gz PRPHXSPMMUYWQC-DOMZBBRYSA-N 1 2 246.354 3.265 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000275000717 386169543 /nfs/dbraw/zinc/16/95/43/386169543.db2.gz PRPHXSPMMUYWQC-IUODEOHRSA-N 1 2 246.354 3.265 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000275000718 386169760 /nfs/dbraw/zinc/16/97/60/386169760.db2.gz PRPHXSPMMUYWQC-SWLSCSKDSA-N 1 2 246.354 3.265 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000275000720 386170220 /nfs/dbraw/zinc/17/02/20/386170220.db2.gz PRPHXSPMMUYWQC-WFASDCNBSA-N 1 2 246.354 3.265 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@@H]1C=CCCC1 ZINC000275045416 351591715 /nfs/dbraw/zinc/59/17/15/351591715.db2.gz TXBKPETZXCQWIU-GFCCVEGCSA-N 1 2 244.338 3.329 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@H]1C=CCCC1 ZINC000275045419 351591944 /nfs/dbraw/zinc/59/19/44/351591944.db2.gz TXBKPETZXCQWIU-LBPRGKRZSA-N 1 2 244.338 3.329 20 0 BGADLO Cc1nc([C@H]2CCCN2c2cccc[nH+]2)cs1 ZINC000275071490 180056991 /nfs/dbraw/zinc/05/69/91/180056991.db2.gz ZOZNFCWQQCSGMK-GFCCVEGCSA-N 1 2 245.351 3.188 20 0 BGADLO Cc1nc([C@@H]2CCCN2c2cccc[nH+]2)cs1 ZINC000275071493 180044136 /nfs/dbraw/zinc/04/41/36/180044136.db2.gz ZOZNFCWQQCSGMK-LBPRGKRZSA-N 1 2 245.351 3.188 20 0 BGADLO Cc1ccc(NC2CC(OC(C)C)C2)c(C)[nH+]1 ZINC000275125769 386182099 /nfs/dbraw/zinc/18/20/99/386182099.db2.gz KGWMFVPJSTWPNF-UHFFFAOYSA-N 1 2 234.343 3.066 20 0 BGADLO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000275274172 386198670 /nfs/dbraw/zinc/19/86/70/386198670.db2.gz VFMKKZPJQHOSQD-BXUZGUMPSA-N 1 2 249.329 3.188 20 0 BGADLO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000275274172 386198666 /nfs/dbraw/zinc/19/86/66/386198666.db2.gz VFMKKZPJQHOSQD-BXUZGUMPSA-N 1 2 249.329 3.188 20 0 BGADLO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000275274173 351595563 /nfs/dbraw/zinc/59/55/63/351595563.db2.gz VFMKKZPJQHOSQD-FZMZJTMJSA-N 1 2 249.329 3.188 20 0 BGADLO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000275274173 351595561 /nfs/dbraw/zinc/59/55/61/351595561.db2.gz VFMKKZPJQHOSQD-FZMZJTMJSA-N 1 2 249.329 3.188 20 0 BGADLO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000275274175 351595246 /nfs/dbraw/zinc/59/52/46/351595246.db2.gz VFMKKZPJQHOSQD-RISCZKNCSA-N 1 2 249.329 3.188 20 0 BGADLO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000275274175 351595240 /nfs/dbraw/zinc/59/52/40/351595240.db2.gz VFMKKZPJQHOSQD-RISCZKNCSA-N 1 2 249.329 3.188 20 0 BGADLO CC[C@H](c1ccc(F)cc1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000275274176 386199075 /nfs/dbraw/zinc/19/90/75/386199075.db2.gz VFMKKZPJQHOSQD-SMDDNHRTSA-N 1 2 249.329 3.188 20 0 BGADLO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000275274176 386199071 /nfs/dbraw/zinc/19/90/71/386199071.db2.gz VFMKKZPJQHOSQD-SMDDNHRTSA-N 1 2 249.329 3.188 20 0 BGADLO Fc1cc(Cl)cc(C[NH+]2CCSCC2)c1 ZINC000275308065 386198440 /nfs/dbraw/zinc/19/84/40/386198440.db2.gz QZWINFNFMQOLPJ-UHFFFAOYSA-N 1 2 245.750 3.028 20 0 BGADLO CC[C@H]([NH2+]c1ccc(OC2COC2)cc1)C1CC1 ZINC000275665627 386227639 /nfs/dbraw/zinc/22/76/39/386227639.db2.gz GPTLQHKNFXDDPY-HNNXBMFYSA-N 1 2 247.338 3.065 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(OC2COC2)cc1)C1CC1 ZINC000275665630 351603757 /nfs/dbraw/zinc/60/37/57/351603757.db2.gz GPTLQHKNFXDDPY-OAHLLOKOSA-N 1 2 247.338 3.065 20 0 BGADLO CCSCCNc1cccc(-n2cc[nH+]c2)c1 ZINC000275753487 386236219 /nfs/dbraw/zinc/23/62/19/386236219.db2.gz SWFARHRNXAUXMF-UHFFFAOYSA-N 1 2 247.367 3.037 20 0 BGADLO C[C@@H]1CCC[C@@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000275780486 176132960 /nfs/dbraw/zinc/13/29/60/176132960.db2.gz WCNVROVIFREXCF-ABAIWWIYSA-N 1 2 247.338 3.065 20 0 BGADLO C[C@@H]1CCC[C@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000275780487 176151032 /nfs/dbraw/zinc/15/10/32/176151032.db2.gz WCNVROVIFREXCF-IAQYHMDHSA-N 1 2 247.338 3.065 20 0 BGADLO C[C@H]1CCC[C@@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000275780491 177126866 /nfs/dbraw/zinc/12/68/66/177126866.db2.gz WCNVROVIFREXCF-NHYWBVRUSA-N 1 2 247.338 3.065 20 0 BGADLO C[C@H]1CCC[C@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000275780496 177143046 /nfs/dbraw/zinc/14/30/46/177143046.db2.gz WCNVROVIFREXCF-XHDPSFHLSA-N 1 2 247.338 3.065 20 0 BGADLO Cc1ccc(NC(=O)C(C)(C)C(C)C)c(C)[nH+]1 ZINC000275883478 386249344 /nfs/dbraw/zinc/24/93/44/386249344.db2.gz QIDKLMAMESCYCL-UHFFFAOYSA-N 1 2 234.343 3.319 20 0 BGADLO COC[C@H](Nc1ccc(C)[nH+]c1)C1CCCC1 ZINC000275887941 386248436 /nfs/dbraw/zinc/24/84/36/386248436.db2.gz QKADVBCSSWYKAP-AWEZNQCLSA-N 1 2 234.343 3.007 20 0 BGADLO COC[C@@H](Nc1ccc(C)[nH+]c1)C1CCCC1 ZINC000275887942 386248357 /nfs/dbraw/zinc/24/83/57/386248357.db2.gz QKADVBCSSWYKAP-CQSZACIVSA-N 1 2 234.343 3.007 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C(C)(C)C(C)C ZINC000275903819 351607658 /nfs/dbraw/zinc/60/76/58/351607658.db2.gz UVBIYBZBXBIEHI-UHFFFAOYSA-N 1 2 234.343 3.265 20 0 BGADLO Cc1cc(NC(=O)C(C)(C)C(C)C)cc[nH+]1 ZINC000275909818 178123554 /nfs/dbraw/zinc/12/35/54/178123554.db2.gz VZYGODQOTXNRCJ-UHFFFAOYSA-N 1 2 220.316 3.011 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)C(C)(C)C(C)C ZINC000275911222 179705982 /nfs/dbraw/zinc/70/59/82/179705982.db2.gz WCJQOOLKVSUGMF-UHFFFAOYSA-N 1 2 220.316 3.011 20 0 BGADLO CC(C)(C)c1csc(COc2cc[nH+]cc2)n1 ZINC000276433718 386321971 /nfs/dbraw/zinc/32/19/71/386321971.db2.gz JEXJWEVINCPLSV-UHFFFAOYSA-N 1 2 248.351 3.415 20 0 BGADLO COc1ccccc1CCCOc1cc[nH+]cc1 ZINC000276468270 175322425 /nfs/dbraw/zinc/32/24/25/175322425.db2.gz PHFPVVCSOQTVHH-UHFFFAOYSA-N 1 2 243.306 3.102 20 0 BGADLO CCCCc1nc(COc2cc[nH+]cc2)cs1 ZINC000276470323 169026477 /nfs/dbraw/zinc/02/64/77/169026477.db2.gz PTCKFVSRQMAPFC-UHFFFAOYSA-N 1 2 248.351 3.460 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1ccc(F)cn1 ZINC000276473498 351624945 /nfs/dbraw/zinc/62/49/45/351624945.db2.gz HHCALNSLKDBOSP-UHFFFAOYSA-N 1 2 246.285 3.066 20 0 BGADLO CC[C@H](C)CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000276564269 171262577 /nfs/dbraw/zinc/26/25/77/171262577.db2.gz CWAUGMUXBBNVBX-JTQLQIEISA-N 1 2 245.326 3.017 20 0 BGADLO CC[C@@H](C)CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000276564273 386344127 /nfs/dbraw/zinc/34/41/27/386344127.db2.gz CWAUGMUXBBNVBX-SNVBAGLBSA-N 1 2 245.326 3.017 20 0 BGADLO CC(C)=CCCNc1cc[nH+]c(C2CC2)n1 ZINC000276678417 188094099 /nfs/dbraw/zinc/09/40/99/188094099.db2.gz FOOBQJSPTHLIBA-UHFFFAOYSA-N 1 2 217.316 3.122 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@@H](C)CC ZINC000276711219 351645523 /nfs/dbraw/zinc/64/55/23/351645523.db2.gz YOKFSTOKYLODEX-JTQLQIEISA-N 1 2 220.316 3.019 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@H](C)CC ZINC000276711221 351645066 /nfs/dbraw/zinc/64/50/66/351645066.db2.gz YOKFSTOKYLODEX-SNVBAGLBSA-N 1 2 220.316 3.019 20 0 BGADLO CCC[C@@H]([NH2+]Cc1cn[nH]c1C)c1ccsc1 ZINC000276871667 386385868 /nfs/dbraw/zinc/38/58/68/386385868.db2.gz DXTXSKLCUNSQSH-CYBMUJFWSA-N 1 2 249.383 3.411 20 0 BGADLO CCC[C@H]([NH2+]Cc1cn[nH]c1C)c1ccsc1 ZINC000276871672 386386133 /nfs/dbraw/zinc/38/61/33/386386133.db2.gz DXTXSKLCUNSQSH-ZDUSSCGKSA-N 1 2 249.383 3.411 20 0 BGADLO CC(C)=CCCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000276876248 386386850 /nfs/dbraw/zinc/38/68/50/386386850.db2.gz YXLYUABEMPFLAK-UHFFFAOYSA-N 1 2 247.342 3.176 20 0 BGADLO FC1(F)CC(Nc2ccc3ccccc3[nH+]2)C1 ZINC000276996639 411443105 /nfs/dbraw/zinc/44/31/05/411443105.db2.gz HIQITCALZLDQTH-UHFFFAOYSA-N 1 2 234.249 3.444 20 0 BGADLO COC1(C[C@@H](C)Nc2c[nH+]cc(C)c2)CCC1 ZINC000277003445 174008039 /nfs/dbraw/zinc/00/80/39/174008039.db2.gz ATNMJKXAKHCAEW-GFCCVEGCSA-N 1 2 234.343 3.150 20 0 BGADLO COC1(C[C@H](C)Nc2c[nH+]cc(C)c2)CCC1 ZINC000277003451 174009044 /nfs/dbraw/zinc/00/90/44/174009044.db2.gz ATNMJKXAKHCAEW-LBPRGKRZSA-N 1 2 234.343 3.150 20 0 BGADLO COC1(C[C@@H](C)Nc2ccc[nH+]c2C)CCC1 ZINC000277015664 174008213 /nfs/dbraw/zinc/00/82/13/174008213.db2.gz COZGETARHPYRMD-LLVKDONJSA-N 1 2 234.343 3.150 20 0 BGADLO COC1(C[C@H](C)Nc2ccc[nH+]c2C)CCC1 ZINC000277015670 174009643 /nfs/dbraw/zinc/00/96/43/174009643.db2.gz COZGETARHPYRMD-NSHDSACASA-N 1 2 234.343 3.150 20 0 BGADLO Cc1cccc2c1C[N@@H+](Cc1nccs1)CC2 ZINC000277018149 179216124 /nfs/dbraw/zinc/21/61/24/179216124.db2.gz AGJIVDDKBOMMEC-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1cccc2c1C[N@H+](Cc1nccs1)CC2 ZINC000277018149 179216122 /nfs/dbraw/zinc/21/61/22/179216122.db2.gz AGJIVDDKBOMMEC-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO c1nc(C[NH2+]Cc2ccc(C3CCC3)cc2)co1 ZINC000277022587 490291988 /nfs/dbraw/zinc/29/19/88/490291988.db2.gz MWDYVUDBHIFBKC-UHFFFAOYSA-N 1 2 242.322 3.232 20 0 BGADLO c1ccc(NC2CCC3(CC3)CC2)[nH+]c1 ZINC000277075274 388352361 /nfs/dbraw/zinc/35/23/61/388352361.db2.gz FFULVIQPSDTCAX-UHFFFAOYSA-N 1 2 202.301 3.216 20 0 BGADLO COC1(C[C@@H](C)Nc2ccc(C)[nH+]c2)CCC1 ZINC000277121574 174008268 /nfs/dbraw/zinc/00/82/68/174008268.db2.gz NMTSHIYUQNPYIL-GFCCVEGCSA-N 1 2 234.343 3.150 20 0 BGADLO COC1(C[C@H](C)Nc2ccc(C)[nH+]c2)CCC1 ZINC000277121576 174008623 /nfs/dbraw/zinc/00/86/23/174008623.db2.gz NMTSHIYUQNPYIL-LBPRGKRZSA-N 1 2 234.343 3.150 20 0 BGADLO Cc1cccc2c1C[N@@H+](Cc1cscn1)CC2 ZINC000277214090 179216418 /nfs/dbraw/zinc/21/64/18/179216418.db2.gz NMKRALJBKSZYIC-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1cccc2c1C[N@H+](Cc1cscn1)CC2 ZINC000277214090 179216416 /nfs/dbraw/zinc/21/64/16/179216416.db2.gz NMKRALJBKSZYIC-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO FC1(F)CCC(C2=CSC3=[NH+]CCN23)CC1 ZINC000277275464 386426159 /nfs/dbraw/zinc/42/61/59/386426159.db2.gz IPLABHXJUGONOP-UHFFFAOYSA-N 1 2 244.310 3.072 20 0 BGADLO c1cn(Cc2nc(C3CCCCC3)cs2)c[nH+]1 ZINC000277491089 386439028 /nfs/dbraw/zinc/43/90/28/386439028.db2.gz CQUKPFMPWVGPHD-UHFFFAOYSA-N 1 2 247.367 3.436 20 0 BGADLO C[C@H]1COCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000277629556 177294928 /nfs/dbraw/zinc/29/49/28/177294928.db2.gz MXQWDCHTOYERML-AAEUAGOBSA-N 1 2 242.322 3.072 20 0 BGADLO C[C@@H]1COCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000277629563 176345367 /nfs/dbraw/zinc/34/53/67/176345367.db2.gz MXQWDCHTOYERML-DGCLKSJQSA-N 1 2 242.322 3.072 20 0 BGADLO C[C@H]1COCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000277629570 177297477 /nfs/dbraw/zinc/29/74/77/177297477.db2.gz MXQWDCHTOYERML-WCQYABFASA-N 1 2 242.322 3.072 20 0 BGADLO C[C@@H]1COCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000277629575 176341954 /nfs/dbraw/zinc/34/19/54/176341954.db2.gz MXQWDCHTOYERML-YPMHNXCESA-N 1 2 242.322 3.072 20 0 BGADLO COc1cc(C)c([NH2+]CC2CCOCC2)cc1C ZINC000277677926 386459009 /nfs/dbraw/zinc/45/90/09/386459009.db2.gz UDEKRTRBMANBID-UHFFFAOYSA-N 1 2 249.354 3.151 20 0 BGADLO COCCCC[NH2+]c1cc(C)c(OC)cc1C ZINC000277725842 174203506 /nfs/dbraw/zinc/20/35/06/174203506.db2.gz XLGVLIHISKQNQA-UHFFFAOYSA-N 1 2 237.343 3.151 20 0 BGADLO CC(C)[N@@H+](Cc1cocn1)Cc1ccccc1F ZINC000277881574 187341368 /nfs/dbraw/zinc/34/13/68/187341368.db2.gz DVLALPQEZNWOFA-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CC(C)[N@H+](Cc1cocn1)Cc1ccccc1F ZINC000277881574 187341366 /nfs/dbraw/zinc/34/13/66/187341366.db2.gz DVLALPQEZNWOFA-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CCC[N@@H+](Cc1cocn1)Cc1ccc(F)cc1 ZINC000277881617 169175876 /nfs/dbraw/zinc/17/58/76/169175876.db2.gz DVRRPCSKTPEWIB-UHFFFAOYSA-N 1 2 248.301 3.226 20 0 BGADLO CCC[N@H+](Cc1cocn1)Cc1ccc(F)cc1 ZINC000277881617 169175875 /nfs/dbraw/zinc/17/58/75/169175875.db2.gz DVRRPCSKTPEWIB-UHFFFAOYSA-N 1 2 248.301 3.226 20 0 BGADLO c1cc([C@H]2CCC[N@@H+]2Cc2cocn2)cs1 ZINC000277884173 386472014 /nfs/dbraw/zinc/47/20/14/386472014.db2.gz DWRHHFZVVMZRRQ-GFCCVEGCSA-N 1 2 234.324 3.073 20 0 BGADLO c1cc([C@H]2CCC[N@H+]2Cc2cocn2)cs1 ZINC000277884173 386472005 /nfs/dbraw/zinc/47/20/05/386472005.db2.gz DWRHHFZVVMZRRQ-GFCCVEGCSA-N 1 2 234.324 3.073 20 0 BGADLO c1cc([C@@H]2CCC[N@@H+]2Cc2cocn2)cs1 ZINC000277884176 386473882 /nfs/dbraw/zinc/47/38/82/386473882.db2.gz DWRHHFZVVMZRRQ-LBPRGKRZSA-N 1 2 234.324 3.073 20 0 BGADLO c1cc([C@@H]2CCC[N@H+]2Cc2cocn2)cs1 ZINC000277884176 386473874 /nfs/dbraw/zinc/47/38/74/386473874.db2.gz DWRHHFZVVMZRRQ-LBPRGKRZSA-N 1 2 234.324 3.073 20 0 BGADLO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cocn2)cc1 ZINC000277918309 386476784 /nfs/dbraw/zinc/47/67/84/386476784.db2.gz GVNLFAOGBHGMHX-AWEZNQCLSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cocn2)cc1 ZINC000277918309 386476781 /nfs/dbraw/zinc/47/67/81/386476781.db2.gz GVNLFAOGBHGMHX-AWEZNQCLSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1ccc([C@H]2CCC[N@H+]2Cc2cocn2)cc1 ZINC000277918313 386476027 /nfs/dbraw/zinc/47/60/27/386476027.db2.gz GVNLFAOGBHGMHX-CQSZACIVSA-N 1 2 246.285 3.151 20 0 BGADLO Fc1ccc([C@H]2CCC[N@@H+]2Cc2cocn2)cc1 ZINC000277918313 386476020 /nfs/dbraw/zinc/47/60/20/386476020.db2.gz GVNLFAOGBHGMHX-CQSZACIVSA-N 1 2 246.285 3.151 20 0 BGADLO CCO[C@@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000277921088 386479518 /nfs/dbraw/zinc/47/95/18/386479518.db2.gz PYORHHHVUVIJCD-AWEZNQCLSA-N 1 2 242.322 3.271 20 0 BGADLO CCO[C@H](CNc1cccc[nH+]1)c1ccccc1 ZINC000277921103 386479763 /nfs/dbraw/zinc/47/97/63/386479763.db2.gz PYORHHHVUVIJCD-CQSZACIVSA-N 1 2 242.322 3.271 20 0 BGADLO CC(C)[N@@H+](Cc1cocn1)Cc1ccc(F)cc1 ZINC000277944386 188030361 /nfs/dbraw/zinc/03/03/61/188030361.db2.gz IDNZYKRAZCKIIJ-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CC(C)[N@H+](Cc1cocn1)Cc1ccc(F)cc1 ZINC000277944386 188030359 /nfs/dbraw/zinc/03/03/59/188030359.db2.gz IDNZYKRAZCKIIJ-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO Cc1cc2[nH+]cn(CC(=O)C3CCC3)c2cc1C ZINC000277946287 178305117 /nfs/dbraw/zinc/30/51/17/178305117.db2.gz JFBDWZAFBVVQHZ-UHFFFAOYSA-N 1 2 242.322 3.022 20 0 BGADLO CC(C)[N@H+](Cc1cocn1)Cc1cccs1 ZINC000277966205 188204198 /nfs/dbraw/zinc/20/41/98/188204198.db2.gz JIGNPPNGOAAOIU-UHFFFAOYSA-N 1 2 236.340 3.147 20 0 BGADLO CC(C)[N@@H+](Cc1cocn1)Cc1cccs1 ZINC000277966205 188204197 /nfs/dbraw/zinc/20/41/97/188204197.db2.gz JIGNPPNGOAAOIU-UHFFFAOYSA-N 1 2 236.340 3.147 20 0 BGADLO Cn1cc[nH+]c1CSCCSC(C)(C)C ZINC000278251726 386505188 /nfs/dbraw/zinc/50/51/88/386505188.db2.gz BZPSWEZYVHMGND-UHFFFAOYSA-N 1 2 244.429 3.185 20 0 BGADLO Cn1c[nH+]cc1CSCCSC(C)(C)C ZINC000278288512 386508679 /nfs/dbraw/zinc/50/86/79/386508679.db2.gz GQRGCKNXXZFUDN-UHFFFAOYSA-N 1 2 244.429 3.185 20 0 BGADLO COCC[C@@H](C)[NH2+]c1cc(C)c(OC)cc1C ZINC000278298993 174386267 /nfs/dbraw/zinc/38/62/67/174386267.db2.gz QMVHDJJIKFKPDR-GFCCVEGCSA-N 1 2 237.343 3.149 20 0 BGADLO COCC[C@H](C)[NH2+]c1cc(C)c(OC)cc1C ZINC000278298996 386507239 /nfs/dbraw/zinc/50/72/39/386507239.db2.gz QMVHDJJIKFKPDR-LBPRGKRZSA-N 1 2 237.343 3.149 20 0 BGADLO CC(C)[N@@H+](Cc1cocn1)Cc1cccc(F)c1 ZINC000278308717 187341030 /nfs/dbraw/zinc/34/10/30/187341030.db2.gz YDJWWFRPZDRIRB-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CC(C)[N@H+](Cc1cocn1)Cc1cccc(F)c1 ZINC000278308717 187341028 /nfs/dbraw/zinc/34/10/28/187341028.db2.gz YDJWWFRPZDRIRB-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CC(C)(C)SCCSCCn1cc[nH+]c1 ZINC000278414978 386523512 /nfs/dbraw/zinc/52/35/12/386523512.db2.gz WJCKLWURPHAVLV-UHFFFAOYSA-N 1 2 244.429 3.148 20 0 BGADLO C[N@H+](Cc1ccon1)Cc1cc(Cl)cs1 ZINC000278462499 386529160 /nfs/dbraw/zinc/52/91/60/386529160.db2.gz PECZYRMIUCIQGI-UHFFFAOYSA-N 1 2 242.731 3.022 20 0 BGADLO C[N@@H+](Cc1ccon1)Cc1cc(Cl)cs1 ZINC000278462499 386529156 /nfs/dbraw/zinc/52/91/56/386529156.db2.gz PECZYRMIUCIQGI-UHFFFAOYSA-N 1 2 242.731 3.022 20 0 BGADLO Cc1nc(F)ccc1C[NH+]1Cc2ccccc2C1 ZINC000278498243 386535632 /nfs/dbraw/zinc/53/56/32/386535632.db2.gz VEIOAMNXFIRMBD-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO CC1(C)COCC[N@H+]1Cc1sccc1Cl ZINC000278501063 351767710 /nfs/dbraw/zinc/76/77/10/351767710.db2.gz VNNOUFHWVQGLEU-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)COCC[N@@H+]1Cc1sccc1Cl ZINC000278501063 351767707 /nfs/dbraw/zinc/76/77/07/351767707.db2.gz VNNOUFHWVQGLEU-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO COc1cc(C)c([NH2+][C@@H]2CCO[C@H](C)C2)cc1C ZINC000278549492 174960844 /nfs/dbraw/zinc/96/08/44/174960844.db2.gz VSCZINWPGGQVOJ-CHWSQXEVSA-N 1 2 249.354 3.291 20 0 BGADLO COc1cc(C)c([NH2+][C@H]2CCO[C@H](C)C2)cc1C ZINC000278549494 386546567 /nfs/dbraw/zinc/54/65/67/386546567.db2.gz VSCZINWPGGQVOJ-OLZOCXBDSA-N 1 2 249.354 3.291 20 0 BGADLO COc1cc(C)c([NH2+][C@@H]2CCO[C@@H](C)C2)cc1C ZINC000278549497 386546401 /nfs/dbraw/zinc/54/64/01/386546401.db2.gz VSCZINWPGGQVOJ-QWHCGFSZSA-N 1 2 249.354 3.291 20 0 BGADLO COc1cc(C)c([NH2+][C@H]2CCO[C@@H](C)C2)cc1C ZINC000278549500 386546336 /nfs/dbraw/zinc/54/63/36/386546336.db2.gz VSCZINWPGGQVOJ-STQMWFEESA-N 1 2 249.354 3.291 20 0 BGADLO c1cc2c(cc1[NH2+]C[C@H]1CCSC1)CCCO2 ZINC000278580736 183368934 /nfs/dbraw/zinc/36/89/34/183368934.db2.gz YLQKSMFKPPDTRK-LLVKDONJSA-N 1 2 249.379 3.177 20 0 BGADLO c1cc2c(cc1[NH2+]C[C@@H]1CCSC1)CCCO2 ZINC000278580739 183369796 /nfs/dbraw/zinc/36/97/96/183369796.db2.gz YLQKSMFKPPDTRK-NSHDSACASA-N 1 2 249.379 3.177 20 0 BGADLO COc1cc(C)c([NH2+][C@H](C)[C@@H]2CCOC2)cc1C ZINC000278582918 398039005 /nfs/dbraw/zinc/03/90/05/398039005.db2.gz YHJWGZXDKUNCDI-CHWSQXEVSA-N 1 2 249.354 3.149 20 0 BGADLO COc1cc(C)c([NH2+][C@H](C)[C@H]2CCOC2)cc1C ZINC000278582919 398038770 /nfs/dbraw/zinc/03/87/70/398038770.db2.gz YHJWGZXDKUNCDI-OLZOCXBDSA-N 1 2 249.354 3.149 20 0 BGADLO COc1cc(C)c([NH2+][C@@H](C)[C@@H]2CCOC2)cc1C ZINC000278582922 398038944 /nfs/dbraw/zinc/03/89/44/398038944.db2.gz YHJWGZXDKUNCDI-QWHCGFSZSA-N 1 2 249.354 3.149 20 0 BGADLO COc1cc(C)c([NH2+][C@@H](C)[C@H]2CCOC2)cc1C ZINC000278582925 398039013 /nfs/dbraw/zinc/03/90/13/398039013.db2.gz YHJWGZXDKUNCDI-STQMWFEESA-N 1 2 249.354 3.149 20 0 BGADLO CSC1(CNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000278590572 386552608 /nfs/dbraw/zinc/55/26/08/386552608.db2.gz DNUTUMNLCMYQER-UHFFFAOYSA-N 1 2 249.383 3.052 20 0 BGADLO c1c[nH+]c(CNc2ccc(C3CCC3)cc2)[nH]1 ZINC000278632274 183326142 /nfs/dbraw/zinc/32/61/42/183326142.db2.gz FPQFPFIHFRZDBA-UHFFFAOYSA-N 1 2 227.311 3.289 20 0 BGADLO FC1=CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000278660917 132208094 /nfs/dbraw/zinc/20/80/94/132208094.db2.gz FGSNDRRSLQPGHK-UHFFFAOYSA-N 1 2 246.207 3.164 20 0 BGADLO CCCN(c1cc[nH+]c2ccncc21)C1CC1 ZINC000278709956 169183665 /nfs/dbraw/zinc/18/36/65/169183665.db2.gz JDVVQAAOIWXVLI-UHFFFAOYSA-N 1 2 227.311 3.009 20 0 BGADLO Cc1cc2[nH+]cn(CC(=O)CC3CC3)c2cc1C ZINC000278716477 178305800 /nfs/dbraw/zinc/30/58/00/178305800.db2.gz LOYRNKHRRSJCIO-UHFFFAOYSA-N 1 2 242.322 3.022 20 0 BGADLO Cn1c[nH+]cc1CNc1ccc(C2CCC2)cc1 ZINC000278721042 386573311 /nfs/dbraw/zinc/57/33/11/386573311.db2.gz MEXOHMDTNCBXES-UHFFFAOYSA-N 1 2 241.338 3.300 20 0 BGADLO Cc1ccc(NCc2ccc(F)nc2C)c(C)[nH+]1 ZINC000278722879 386573004 /nfs/dbraw/zinc/57/30/04/386573004.db2.gz KHKHVSNMRAOKRU-UHFFFAOYSA-N 1 2 245.301 3.153 20 0 BGADLO Cn1cc[nH+]c1CNc1ccc(C2CCC2)cc1 ZINC000278814888 386589722 /nfs/dbraw/zinc/58/97/22/386589722.db2.gz ZMPHQMUXXWNZDG-UHFFFAOYSA-N 1 2 241.338 3.300 20 0 BGADLO Cc1ccc(NCc2[nH]cc[nH+]2)cc1OC(C)C ZINC000278833312 386592221 /nfs/dbraw/zinc/59/22/21/386592221.db2.gz VIBLDDDYGLEOHA-UHFFFAOYSA-N 1 2 245.326 3.117 20 0 BGADLO COc1cc(CNc2c[nH+]cc(C)c2)ccc1C ZINC000278886318 386603585 /nfs/dbraw/zinc/60/35/85/386603585.db2.gz OVCHSCVMRNRPAM-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1cc(CNc2ccc[nH+]c2C)ccc1C ZINC000278928070 386606238 /nfs/dbraw/zinc/60/62/38/386606238.db2.gz VSLSJMPOYFNNGI-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO CC[NH+](CC)Cc1ncc(C(F)(F)F)s1 ZINC000278994008 386615001 /nfs/dbraw/zinc/61/50/01/386615001.db2.gz BTXHXYHABWVOAM-UHFFFAOYSA-N 1 2 238.278 3.004 20 0 BGADLO CC(C)(C)c1cnc(CNc2cccc[nH+]2)s1 ZINC000279227097 386654189 /nfs/dbraw/zinc/65/41/89/386654189.db2.gz YEHHVDGORBJWCR-UHFFFAOYSA-N 1 2 247.367 3.448 20 0 BGADLO Cc1ccc(NC(=O)NCCC2(C)CC2)c(C)[nH+]1 ZINC000279379284 188382227 /nfs/dbraw/zinc/38/22/27/188382227.db2.gz JZOMEWRGELFIGB-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO CC(C)[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000279380513 188205070 /nfs/dbraw/zinc/20/50/70/188205070.db2.gz KCQCDOKNPZZSMH-UHFFFAOYSA-N 1 2 238.278 3.002 20 0 BGADLO CC(C)[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000279380513 188205068 /nfs/dbraw/zinc/20/50/68/188205068.db2.gz KCQCDOKNPZZSMH-UHFFFAOYSA-N 1 2 238.278 3.002 20 0 BGADLO CCC[N@@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000279459633 169083106 /nfs/dbraw/zinc/08/31/06/169083106.db2.gz UGVJQZPTIQPJIW-UHFFFAOYSA-N 1 2 238.278 3.004 20 0 BGADLO CCC[N@H+](C)Cc1ncc(C(F)(F)F)s1 ZINC000279459633 169083104 /nfs/dbraw/zinc/08/31/04/169083104.db2.gz UGVJQZPTIQPJIW-UHFFFAOYSA-N 1 2 238.278 3.004 20 0 BGADLO CSc1ccccc1C[N@@H+](C)Cc1cocn1 ZINC000279587467 398050720 /nfs/dbraw/zinc/05/07/20/398050720.db2.gz CEWMOEAQOVEWLM-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO CSc1ccccc1C[N@H+](C)Cc1cocn1 ZINC000279587467 398050716 /nfs/dbraw/zinc/05/07/16/398050716.db2.gz CEWMOEAQOVEWLM-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO CC(C)n1nccc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000279640894 386715022 /nfs/dbraw/zinc/71/50/22/386715022.db2.gz LVMHAFXOODHRCO-GFCCVEGCSA-N 1 2 247.342 3.250 20 0 BGADLO CC(C)n1nccc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000279640894 386715016 /nfs/dbraw/zinc/71/50/16/386715016.db2.gz LVMHAFXOODHRCO-GFCCVEGCSA-N 1 2 247.342 3.250 20 0 BGADLO CC(C)n1nccc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000279640895 386713179 /nfs/dbraw/zinc/71/31/79/386713179.db2.gz LVMHAFXOODHRCO-LBPRGKRZSA-N 1 2 247.342 3.250 20 0 BGADLO CC(C)n1nccc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000279640895 386713177 /nfs/dbraw/zinc/71/31/77/386713177.db2.gz LVMHAFXOODHRCO-LBPRGKRZSA-N 1 2 247.342 3.250 20 0 BGADLO Cc1cc2[nH+]cn(CC(=O)C3(C)CC3)c2cc1C ZINC000279815981 178305963 /nfs/dbraw/zinc/30/59/63/178305963.db2.gz AMTWPSUOOLAQMV-UHFFFAOYSA-N 1 2 242.322 3.022 20 0 BGADLO C[C@H](CSCc1[nH+]ccn1C)c1ccccc1 ZINC000279880288 386747384 /nfs/dbraw/zinc/74/73/84/386747384.db2.gz HIBMEIKTPYHYRH-GFCCVEGCSA-N 1 2 246.379 3.457 20 0 BGADLO C[C@@H](CSCc1[nH+]ccn1C)c1ccccc1 ZINC000279880290 386748472 /nfs/dbraw/zinc/74/84/72/386748472.db2.gz HIBMEIKTPYHYRH-LBPRGKRZSA-N 1 2 246.379 3.457 20 0 BGADLO FC(F)c1cccc(COCc2[nH]cc[nH+]2)c1 ZINC000279911659 386753471 /nfs/dbraw/zinc/75/34/71/386753471.db2.gz JXAAZVYEHHOJFH-UHFFFAOYSA-N 1 2 238.237 3.064 20 0 BGADLO CCCC(=O)Nc1cc(-c2[nH]cc[nH+]2)ccc1C ZINC000279960231 386759074 /nfs/dbraw/zinc/75/90/74/386759074.db2.gz IOJADQYEDQWBDY-UHFFFAOYSA-N 1 2 243.310 3.124 20 0 BGADLO CCC[C@H](CC)SCc1[nH+]ccn1C ZINC000279971176 386763940 /nfs/dbraw/zinc/76/39/40/386763940.db2.gz OWAMGNVIXYMXKL-JTQLQIEISA-N 1 2 212.362 3.232 20 0 BGADLO CCC[C@@H](CC)SCc1[nH+]ccn1C ZINC000279971180 169381152 /nfs/dbraw/zinc/38/11/52/169381152.db2.gz OWAMGNVIXYMXKL-SNVBAGLBSA-N 1 2 212.362 3.232 20 0 BGADLO CCC[C@@H](CC)SCCn1cc[nH+]c1 ZINC000279985594 169381051 /nfs/dbraw/zinc/38/10/51/169381051.db2.gz QLYPYTRASIFWFF-LLVKDONJSA-N 1 2 212.362 3.195 20 0 BGADLO CCC[C@H](CC)SCCn1cc[nH+]c1 ZINC000279985597 386766478 /nfs/dbraw/zinc/76/64/78/386766478.db2.gz QLYPYTRASIFWFF-NSHDSACASA-N 1 2 212.362 3.195 20 0 BGADLO C[C@H](CSCc1c[nH+]cn1C)c1ccccc1 ZINC000280034580 386771459 /nfs/dbraw/zinc/77/14/59/386771459.db2.gz WFNFZEVWWPZOTG-GFCCVEGCSA-N 1 2 246.379 3.457 20 0 BGADLO C[C@@H](CSCc1c[nH+]cn1C)c1ccccc1 ZINC000280034585 386772468 /nfs/dbraw/zinc/77/24/68/386772468.db2.gz WFNFZEVWWPZOTG-LBPRGKRZSA-N 1 2 246.379 3.457 20 0 BGADLO CCC[C@@H](CC)SCc1c[nH+]cn1C ZINC000280062834 169381525 /nfs/dbraw/zinc/38/15/25/169381525.db2.gz ZGHUPUANGZGRLB-LLVKDONJSA-N 1 2 212.362 3.232 20 0 BGADLO CCC[C@H](CC)SCc1c[nH+]cn1C ZINC000280062835 386774558 /nfs/dbraw/zinc/77/45/58/386774558.db2.gz ZGHUPUANGZGRLB-NSHDSACASA-N 1 2 212.362 3.232 20 0 BGADLO FC(F)(F)CCSc1[nH+]cnc2[nH]ccc21 ZINC000280220328 386790868 /nfs/dbraw/zinc/79/08/68/386790868.db2.gz KTJPOYPOEYWNFC-UHFFFAOYSA-N 1 2 247.245 3.002 20 0 BGADLO CC[N@@H+](Cc1cnc[nH]1)Cc1ccc(Cl)cc1 ZINC000280355883 351840809 /nfs/dbraw/zinc/84/08/09/351840809.db2.gz CKIIOOPTFDAYII-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO CC[N@H+](Cc1cnc[nH]1)Cc1ccc(Cl)cc1 ZINC000280355883 351840804 /nfs/dbraw/zinc/84/08/04/351840804.db2.gz CKIIOOPTFDAYII-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO Cc1ccc(NCc2ccnn2C(C)C)c(C)[nH+]1 ZINC000280435971 385310432 /nfs/dbraw/zinc/31/04/32/385310432.db2.gz XTTYYCFMDNOFTN-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO Cc1nc(N[C@H]2C[C@H](c3ccccc3)C2)cc[nH+]1 ZINC000280582299 180206082 /nfs/dbraw/zinc/20/60/82/180206082.db2.gz MXFDPPDCZAKVJK-HDJSIYSDSA-N 1 2 239.322 3.143 20 0 BGADLO c1ccc([C@H]2C[C@H](Nc3cccc[nH+]3)C2)cc1 ZINC000280599713 386829174 /nfs/dbraw/zinc/82/91/74/386829174.db2.gz PCJRXMWWXCYQAD-HDJSIYSDSA-N 1 2 224.307 3.440 20 0 BGADLO COc1cc(C)c([NH2+][C@@H]2CCOC[C@H]2C)cc1C ZINC000280626293 386829800 /nfs/dbraw/zinc/82/98/00/386829800.db2.gz PZUZELWKHDWUSO-CHWSQXEVSA-N 1 2 249.354 3.149 20 0 BGADLO COc1cc(C)c([NH2+][C@H]2CCOC[C@H]2C)cc1C ZINC000280626299 386829961 /nfs/dbraw/zinc/82/99/61/386829961.db2.gz PZUZELWKHDWUSO-OLZOCXBDSA-N 1 2 249.354 3.149 20 0 BGADLO COc1cc(C)c([NH2+][C@@H]2CCOC[C@@H]2C)cc1C ZINC000280626304 386828353 /nfs/dbraw/zinc/82/83/53/386828353.db2.gz PZUZELWKHDWUSO-QWHCGFSZSA-N 1 2 249.354 3.149 20 0 BGADLO COc1cc(C)c([NH2+][C@H]2CCOC[C@@H]2C)cc1C ZINC000280626309 174960880 /nfs/dbraw/zinc/96/08/80/174960880.db2.gz PZUZELWKHDWUSO-STQMWFEESA-N 1 2 249.354 3.149 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)c1ccoc1C(C)C ZINC000280661676 411453113 /nfs/dbraw/zinc/45/31/13/411453113.db2.gz GSBKYFYDXJXWMG-UHFFFAOYSA-N 1 2 244.294 3.359 20 0 BGADLO CC1=CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000280793658 168100097 /nfs/dbraw/zinc/10/00/97/168100097.db2.gz JVEYSFCQLOUQHY-UHFFFAOYSA-N 1 2 234.368 3.173 20 0 BGADLO CC1=CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000280793658 168100095 /nfs/dbraw/zinc/10/00/95/168100095.db2.gz JVEYSFCQLOUQHY-UHFFFAOYSA-N 1 2 234.368 3.173 20 0 BGADLO CCCCc1noc([C@@H](C)[N@H+]2CCC=C(C)C2)n1 ZINC000280797455 169031195 /nfs/dbraw/zinc/03/11/95/169031195.db2.gz KGJKBYYOFWPIBP-GFCCVEGCSA-N 1 2 249.358 3.125 20 0 BGADLO CCCCc1noc([C@@H](C)[N@@H+]2CCC=C(C)C2)n1 ZINC000280797455 169031193 /nfs/dbraw/zinc/03/11/93/169031193.db2.gz KGJKBYYOFWPIBP-GFCCVEGCSA-N 1 2 249.358 3.125 20 0 BGADLO CCCCc1noc([C@H](C)[N@H+]2CCC=C(C)C2)n1 ZINC000280797458 169032029 /nfs/dbraw/zinc/03/20/29/169032029.db2.gz KGJKBYYOFWPIBP-LBPRGKRZSA-N 1 2 249.358 3.125 20 0 BGADLO CCCCc1noc([C@H](C)[N@@H+]2CCC=C(C)C2)n1 ZINC000280797458 169032028 /nfs/dbraw/zinc/03/20/28/169032028.db2.gz KGJKBYYOFWPIBP-LBPRGKRZSA-N 1 2 249.358 3.125 20 0 BGADLO CC1=C(C)C[N@@H+](Cc2cnc(Cl)s2)CC1 ZINC000280799449 168085234 /nfs/dbraw/zinc/08/52/34/168085234.db2.gz RYJXFJVNPUXXFF-UHFFFAOYSA-N 1 2 242.775 3.339 20 0 BGADLO CC1=C(C)C[N@H+](Cc2cnc(Cl)s2)CC1 ZINC000280799449 168085232 /nfs/dbraw/zinc/08/52/32/168085232.db2.gz RYJXFJVNPUXXFF-UHFFFAOYSA-N 1 2 242.775 3.339 20 0 BGADLO CC(C)(C1=CSC2=[NH+]CCN12)c1ccccc1 ZINC000280823092 385607846 /nfs/dbraw/zinc/60/78/46/385607846.db2.gz ROGASSJELWKAGZ-UHFFFAOYSA-N 1 2 244.363 3.224 20 0 BGADLO CC1=CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000280823897 168099780 /nfs/dbraw/zinc/09/97/80/168099780.db2.gz NROGMNQJMNCRHP-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC1=CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000280823897 168099778 /nfs/dbraw/zinc/09/97/78/168099778.db2.gz NROGMNQJMNCRHP-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC1=CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000280826087 132211400 /nfs/dbraw/zinc/21/14/00/132211400.db2.gz VNRUWHJYZHMYBJ-UHFFFAOYSA-N 1 2 242.244 3.257 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1cncc(F)c1 ZINC000280919008 351865944 /nfs/dbraw/zinc/86/59/44/351865944.db2.gz HDIIKMAAAXPDGF-UHFFFAOYSA-N 1 2 246.285 3.066 20 0 BGADLO Cc1cc(N2CCC(C)=C(C)C2)nc(C2CC2)[nH+]1 ZINC000280994717 132211135 /nfs/dbraw/zinc/21/11/35/132211135.db2.gz NOZWCOGUQNTCSQ-UHFFFAOYSA-N 1 2 243.354 3.209 20 0 BGADLO CC1=C(C)CN(c2cc[nH+]c3ccncc32)CC1 ZINC000281029271 132211143 /nfs/dbraw/zinc/21/11/43/132211143.db2.gz QHUWIEGMBQISGR-UHFFFAOYSA-N 1 2 239.322 3.176 20 0 BGADLO Cc1cc(NC(=O)c2ccoc2C(C)C)cc[nH+]1 ZINC000281312220 178151865 /nfs/dbraw/zinc/15/18/65/178151865.db2.gz ZGLFXDUDNKWBHQ-UHFFFAOYSA-N 1 2 244.294 3.359 20 0 BGADLO Cc1cc(NC(=O)c2ccoc2C2CC2)cc[nH+]1 ZINC000281329282 178151435 /nfs/dbraw/zinc/15/14/35/178151435.db2.gz LEBZLEUCAKIULW-UHFFFAOYSA-N 1 2 242.278 3.113 20 0 BGADLO CC(C)(C)CSCCCn1cc[nH+]c1 ZINC000281437277 385669657 /nfs/dbraw/zinc/66/96/57/385669657.db2.gz JWZCKVQKKYQYPA-UHFFFAOYSA-N 1 2 212.362 3.053 20 0 BGADLO CCCc1occc1C(=O)Nc1cc[nH+]c(C)c1 ZINC000281481244 385673605 /nfs/dbraw/zinc/67/36/05/385673605.db2.gz VLCKFXQDSKYVCW-UHFFFAOYSA-N 1 2 244.294 3.188 20 0 BGADLO CC(C)(C)Nc1ccccc1NCc1[nH]cc[nH+]1 ZINC000281544260 385679286 /nfs/dbraw/zinc/67/92/86/385679286.db2.gz ZNIKKEOFXQWPLS-UHFFFAOYSA-N 1 2 244.342 3.232 20 0 BGADLO CCc1occc1C(=O)Nc1cc[nH+]cc1CC ZINC000281647561 351901826 /nfs/dbraw/zinc/90/18/26/351901826.db2.gz MRSHPRWAHTWBFS-UHFFFAOYSA-N 1 2 244.294 3.052 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)c1ccoc1C1CC1 ZINC000281715505 385695051 /nfs/dbraw/zinc/69/50/51/385695051.db2.gz BXOJBFUMVJVYLW-UHFFFAOYSA-N 1 2 242.278 3.113 20 0 BGADLO CCc1occc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000281735568 172118506 /nfs/dbraw/zinc/11/85/06/172118506.db2.gz RJTLRKUQOMQLMM-UHFFFAOYSA-N 1 2 244.294 3.106 20 0 BGADLO FC1(F)CCC[C@H](CNc2cccc[nH+]2)C1 ZINC000281748919 487559541 /nfs/dbraw/zinc/55/95/41/487559541.db2.gz BSNHEEZSXYJKHG-JTQLQIEISA-N 1 2 226.270 3.319 20 0 BGADLO FC1(F)CCC[C@@H](CNc2cccc[nH+]2)C1 ZINC000281748922 487559785 /nfs/dbraw/zinc/55/97/85/487559785.db2.gz BSNHEEZSXYJKHG-SNVBAGLBSA-N 1 2 226.270 3.319 20 0 BGADLO CCCc1occc1C(=O)Nc1cc[nH+]cc1C ZINC000281762410 385701110 /nfs/dbraw/zinc/70/11/10/385701110.db2.gz FQAVPNPTWAITRM-UHFFFAOYSA-N 1 2 244.294 3.188 20 0 BGADLO CSc1ccccc1[C@H](C)[NH2+]Cc1ccon1 ZINC000281772443 385701487 /nfs/dbraw/zinc/70/14/87/385701487.db2.gz SKAMVQBWHSFGHT-JTQLQIEISA-N 1 2 248.351 3.247 20 0 BGADLO Cc1nn(C(C)C)cc1CNc1c[nH+]ccc1C ZINC000281783168 179494637 /nfs/dbraw/zinc/49/46/37/179494637.db2.gz GSXNGNGJYRIAQN-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO CCN(Cc1c[nH+]cn1C)c1ccccc1Cl ZINC000281804915 169931414 /nfs/dbraw/zinc/93/14/14/169931414.db2.gz VOLBKEXMKGFTPR-UHFFFAOYSA-N 1 2 249.745 3.100 20 0 BGADLO Cc1nn(C(C)C)cc1CNc1ccc(C)[nH+]c1 ZINC000281844035 385707577 /nfs/dbraw/zinc/70/75/77/385707577.db2.gz KPSNSFOONKDPGD-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO CCCC[C@@H](C)C(=O)Nc1cc[nH+]cc1CC ZINC000281895458 351915074 /nfs/dbraw/zinc/91/50/74/351915074.db2.gz MHSBHCUMTPQIMD-LLVKDONJSA-N 1 2 234.343 3.409 20 0 BGADLO CCCC[C@H](C)C(=O)Nc1cc[nH+]cc1CC ZINC000281895462 351914890 /nfs/dbraw/zinc/91/48/90/351914890.db2.gz MHSBHCUMTPQIMD-NSHDSACASA-N 1 2 234.343 3.409 20 0 BGADLO CCCC[C@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000281937796 351917779 /nfs/dbraw/zinc/91/77/79/351917779.db2.gz PDLPABXCCNZXTD-JTQLQIEISA-N 1 2 234.343 3.463 20 0 BGADLO CCCC[C@@H](C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000281937802 351917810 /nfs/dbraw/zinc/91/78/10/351917810.db2.gz PDLPABXCCNZXTD-SNVBAGLBSA-N 1 2 234.343 3.463 20 0 BGADLO Cc1nc(NC[C@H]2CCCC(F)(F)C2)cc[nH+]1 ZINC000281970897 180200586 /nfs/dbraw/zinc/20/05/86/180200586.db2.gz RMHSVPCSWWRRLU-JTQLQIEISA-N 1 2 241.285 3.022 20 0 BGADLO Cc1nc(NC[C@@H]2CCCC(F)(F)C2)cc[nH+]1 ZINC000281970902 180200977 /nfs/dbraw/zinc/20/09/77/180200977.db2.gz RMHSVPCSWWRRLU-SNVBAGLBSA-N 1 2 241.285 3.022 20 0 BGADLO Cc1nn(C(C)C)cc1CNc1c[nH+]cc(C)c1 ZINC000281998082 385721227 /nfs/dbraw/zinc/72/12/27/385721227.db2.gz VBPZFKATKUGRND-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO Cc1nn(C(C)C)cc1CNc1ccc[nH+]c1C ZINC000282000923 188206157 /nfs/dbraw/zinc/20/61/57/188206157.db2.gz VHGZDOPGOZPQOS-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO CC(C)C[C@@H](C)CSCCn1cc[nH+]c1 ZINC000282019676 188032239 /nfs/dbraw/zinc/03/22/39/188032239.db2.gz XMVLSBBNLFDYCV-GFCCVEGCSA-N 1 2 226.389 3.299 20 0 BGADLO CC(C)C[C@H](C)CSCCn1cc[nH+]c1 ZINC000282019678 385725460 /nfs/dbraw/zinc/72/54/60/385725460.db2.gz XMVLSBBNLFDYCV-LBPRGKRZSA-N 1 2 226.389 3.299 20 0 BGADLO CCSCCCNc1cc[nH+]c2ccncc12 ZINC000282020734 385724709 /nfs/dbraw/zinc/72/47/09/385724709.db2.gz VWJJGYAEPWGVNY-UHFFFAOYSA-N 1 2 247.367 3.185 20 0 BGADLO CCCC[C@@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000282066680 351922818 /nfs/dbraw/zinc/92/28/18/351922818.db2.gz YSZWSDHYYBHUAI-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CCCC[C@H](C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000282066685 351922867 /nfs/dbraw/zinc/92/28/67/351922867.db2.gz YSZWSDHYYBHUAI-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO CSc1ccc([C@H](C)[NH2+]Cc2cocn2)cc1 ZINC000282081814 490670353 /nfs/dbraw/zinc/67/03/53/490670353.db2.gz BVRZMXQTBSTENL-JTQLQIEISA-N 1 2 248.351 3.247 20 0 BGADLO CSc1ccc([C@@H](C)[NH2+]Cc2cocn2)cc1 ZINC000282081815 187240833 /nfs/dbraw/zinc/24/08/33/187240833.db2.gz BVRZMXQTBSTENL-SNVBAGLBSA-N 1 2 248.351 3.247 20 0 BGADLO CSc1ccccc1[C@@H](C)[NH2+]Cc1cocn1 ZINC000282116323 385733730 /nfs/dbraw/zinc/73/37/30/385733730.db2.gz UJJBRSXSGUBHTA-SNVBAGLBSA-N 1 2 248.351 3.247 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2nccs2)oc1C ZINC000282195184 178228847 /nfs/dbraw/zinc/22/88/47/178228847.db2.gz NOPCJJBQLTVNNZ-SECBINFHSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2nccs2)oc1C ZINC000282195187 178252409 /nfs/dbraw/zinc/25/24/09/178252409.db2.gz NOPCJJBQLTVNNZ-VIFPVBQESA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cc(NCc2c[nH+]cn2C)cc(C)c1Cl ZINC000282218064 178175349 /nfs/dbraw/zinc/17/53/49/178175349.db2.gz DTFLUVRQPDETML-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO CCCC[C@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000282290559 351928411 /nfs/dbraw/zinc/92/84/11/351928411.db2.gz WIDFFENJDXFAJI-JTQLQIEISA-N 1 2 220.316 3.155 20 0 BGADLO CCCC[C@@H](C)C(=O)Nc1cc[nH+]cc1C ZINC000282290560 351928904 /nfs/dbraw/zinc/92/89/04/351928904.db2.gz WIDFFENJDXFAJI-SNVBAGLBSA-N 1 2 220.316 3.155 20 0 BGADLO Cc1cc(NCc2[nH]cc[nH+]2)cc(C)c1Cl ZINC000282331624 178176292 /nfs/dbraw/zinc/17/62/92/178176292.db2.gz LPUMSDRUOAIOON-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO Cc1cc(C[NH2+][C@@H](C)c2cc(C)c(C)o2)on1 ZINC000282348526 178032242 /nfs/dbraw/zinc/03/22/42/178032242.db2.gz VPYUDOOZGWAZRU-JTQLQIEISA-N 1 2 234.299 3.044 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)c2cc(C)c(C)o2)on1 ZINC000282348529 178038641 /nfs/dbraw/zinc/03/86/41/178038641.db2.gz VPYUDOOZGWAZRU-SNVBAGLBSA-N 1 2 234.299 3.044 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@@H]2CCCc3occc32)no1 ZINC000282425384 178254279 /nfs/dbraw/zinc/25/42/79/178254279.db2.gz CWRWFLJMIQTGBN-CMPLNLGQSA-N 1 2 246.310 3.304 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@H]2CCCc3occc32)no1 ZINC000282425390 178257430 /nfs/dbraw/zinc/25/74/30/178257430.db2.gz CWRWFLJMIQTGBN-JQWIXIFHSA-N 1 2 246.310 3.304 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@H]2CCCc3occc32)no1 ZINC000282425403 178233492 /nfs/dbraw/zinc/23/34/92/178233492.db2.gz CWRWFLJMIQTGBN-PWSUYJOCSA-N 1 2 246.310 3.304 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCc3occc32)no1 ZINC000282425416 178231169 /nfs/dbraw/zinc/23/11/69/178231169.db2.gz CWRWFLJMIQTGBN-ZYHUDNBSSA-N 1 2 246.310 3.304 20 0 BGADLO COCC[C@@H]1CCC[C@H]1Nc1ccc(C)[nH+]c1 ZINC000282450616 174398039 /nfs/dbraw/zinc/39/80/39/174398039.db2.gz FIDMOEFEBBPIAH-GXTWGEPZSA-N 1 2 234.343 3.007 20 0 BGADLO COCC[C@@H]1CCC[C@@H]1Nc1ccc(C)[nH+]c1 ZINC000282450621 174397480 /nfs/dbraw/zinc/39/74/80/174397480.db2.gz FIDMOEFEBBPIAH-JSGCOSHPSA-N 1 2 234.343 3.007 20 0 BGADLO COCC[C@H]1CCC[C@@H]1Nc1ccc(C)[nH+]c1 ZINC000282450624 385765055 /nfs/dbraw/zinc/76/50/55/385765055.db2.gz FIDMOEFEBBPIAH-OCCSQVGLSA-N 1 2 234.343 3.007 20 0 BGADLO COCC[C@H]1CCC[C@H]1Nc1ccc(C)[nH+]c1 ZINC000282450628 385764468 /nfs/dbraw/zinc/76/44/68/385764468.db2.gz FIDMOEFEBBPIAH-TZMCWYRMSA-N 1 2 234.343 3.007 20 0 BGADLO CSc1ccccc1[C@H](C)[NH2+]Cc1cocn1 ZINC000282467887 385763639 /nfs/dbraw/zinc/76/36/39/385763639.db2.gz UJJBRSXSGUBHTA-JTQLQIEISA-N 1 2 248.351 3.247 20 0 BGADLO Cc1ccc(N[C@H]2CCCC23CCOCC3)c[nH+]1 ZINC000282488616 385766251 /nfs/dbraw/zinc/76/62/51/385766251.db2.gz HPAOAJCNSVQARQ-AWEZNQCLSA-N 1 2 246.354 3.151 20 0 BGADLO Cc1ccc(N[C@@H]2CCCC23CCOCC3)c[nH+]1 ZINC000282488620 385767178 /nfs/dbraw/zinc/76/71/78/385767178.db2.gz HPAOAJCNSVQARQ-CQSZACIVSA-N 1 2 246.354 3.151 20 0 BGADLO Cc1cc(NCc2[nH+]ccn2C)cc(C)c1Cl ZINC000282524132 178176531 /nfs/dbraw/zinc/17/65/31/178176531.db2.gz YLJGIDYJKJEVPX-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO Cc1ccc(N[C@@H]2CCC23CCC3)c[nH+]1 ZINC000282665171 385949852 /nfs/dbraw/zinc/94/98/52/385949852.db2.gz IVFZTFUTZILIFA-GFCCVEGCSA-N 1 2 202.301 3.135 20 0 BGADLO Cc1ccc(N[C@H]2CCC23CCC3)c[nH+]1 ZINC000282665180 385949391 /nfs/dbraw/zinc/94/93/91/385949391.db2.gz IVFZTFUTZILIFA-LBPRGKRZSA-N 1 2 202.301 3.135 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CCC12CCC2 ZINC000282699642 487876771 /nfs/dbraw/zinc/87/67/71/487876771.db2.gz KUZXWZJWHLCARR-GFCCVEGCSA-N 1 2 202.301 3.135 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CCC12CCC2 ZINC000282699647 487876740 /nfs/dbraw/zinc/87/67/40/487876740.db2.gz KUZXWZJWHLCARR-LBPRGKRZSA-N 1 2 202.301 3.135 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(C)c2)no1 ZINC000282737450 178228521 /nfs/dbraw/zinc/22/85/21/178228521.db2.gz RHWQBMSMZJVHEI-LLVKDONJSA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2ccc(F)c(C)c2)no1 ZINC000282737453 178250531 /nfs/dbraw/zinc/25/05/31/178250531.db2.gz RHWQBMSMZJVHEI-NSHDSACASA-N 1 2 248.301 3.281 20 0 BGADLO COCC[C@H]1CCC[C@@H]1[NH2+]c1ccc(OC)cc1 ZINC000282782295 385784998 /nfs/dbraw/zinc/78/49/98/385784998.db2.gz PQBLNGSSWZKAIK-DOMZBBRYSA-N 1 2 249.354 3.312 20 0 BGADLO COCC[C@H]1CCC[C@H]1[NH2+]c1ccc(OC)cc1 ZINC000282782296 385784606 /nfs/dbraw/zinc/78/46/06/385784606.db2.gz PQBLNGSSWZKAIK-IUODEOHRSA-N 1 2 249.354 3.312 20 0 BGADLO COCC[C@@H]1CCC[C@H]1[NH2+]c1ccc(OC)cc1 ZINC000282782297 174399233 /nfs/dbraw/zinc/39/92/33/174399233.db2.gz PQBLNGSSWZKAIK-SWLSCSKDSA-N 1 2 249.354 3.312 20 0 BGADLO COCC[C@@H]1CCC[C@@H]1[NH2+]c1ccc(OC)cc1 ZINC000282782298 174397067 /nfs/dbraw/zinc/39/70/67/174397067.db2.gz PQBLNGSSWZKAIK-WFASDCNBSA-N 1 2 249.354 3.312 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)c1occc1C(C)C ZINC000283271316 398070888 /nfs/dbraw/zinc/07/08/88/398070888.db2.gz ASTXVKJTPDYHCB-UHFFFAOYSA-N 1 2 244.294 3.359 20 0 BGADLO CCCC[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000283498291 351972788 /nfs/dbraw/zinc/97/27/88/351972788.db2.gz LNQJIFCFWTXRGU-JTQLQIEISA-N 1 2 220.316 3.155 20 0 BGADLO CCCC[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000283498294 351972883 /nfs/dbraw/zinc/97/28/83/351972883.db2.gz LNQJIFCFWTXRGU-SNVBAGLBSA-N 1 2 220.316 3.155 20 0 BGADLO Cc1cc(C[N@H+]2CCC=C(F)C2)cc(C)c1O ZINC000283727296 385830414 /nfs/dbraw/zinc/83/04/14/385830414.db2.gz BVHMIAJQYXLSPJ-UHFFFAOYSA-N 1 2 235.302 3.068 20 0 BGADLO Cc1cc(C[N@@H+]2CCC=C(F)C2)cc(C)c1O ZINC000283727296 385830411 /nfs/dbraw/zinc/83/04/11/385830411.db2.gz BVHMIAJQYXLSPJ-UHFFFAOYSA-N 1 2 235.302 3.068 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000284064616 385848383 /nfs/dbraw/zinc/84/83/83/385848383.db2.gz UCDCBDKVMQJTMR-DGCLKSJQSA-N 1 2 244.338 3.185 20 0 BGADLO Cc1cc(NC(=O)c2occc2C(C)C)cc[nH+]1 ZINC000284081293 178152904 /nfs/dbraw/zinc/15/29/04/178152904.db2.gz SKQSHSVCUWHKBX-UHFFFAOYSA-N 1 2 244.294 3.359 20 0 BGADLO CCOc1ccc([NH2+][C@H]2CCC2(C)C)cc1CO ZINC000284185243 387157854 /nfs/dbraw/zinc/15/78/54/387157854.db2.gz FYDNYFFTTIYLBC-AWEZNQCLSA-N 1 2 249.354 3.178 20 0 BGADLO CCOc1ccc([NH2+][C@@H]2CCC2(C)C)cc1CO ZINC000284185246 387157924 /nfs/dbraw/zinc/15/79/24/387157924.db2.gz FYDNYFFTTIYLBC-CQSZACIVSA-N 1 2 249.354 3.178 20 0 BGADLO C[N@@H+](CCSC(C)(C)C)Cc1cscn1 ZINC000284201034 385854950 /nfs/dbraw/zinc/85/49/50/385854950.db2.gz ZOVNMIJXSZPXJH-UHFFFAOYSA-N 1 2 244.429 3.107 20 0 BGADLO C[N@H+](CCSC(C)(C)C)Cc1cscn1 ZINC000284201034 385854948 /nfs/dbraw/zinc/85/49/48/385854948.db2.gz ZOVNMIJXSZPXJH-UHFFFAOYSA-N 1 2 244.429 3.107 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)c1c(C)coc1C ZINC000284307158 351995604 /nfs/dbraw/zinc/99/56/04/351995604.db2.gz JTQNLIFEUXWCLS-UHFFFAOYSA-N 1 2 244.294 3.106 20 0 BGADLO C[N@@H+](CCSC(C)(C)C)Cc1nccs1 ZINC000284381469 385865842 /nfs/dbraw/zinc/86/58/42/385865842.db2.gz MBOJTJUXQHTBSF-UHFFFAOYSA-N 1 2 244.429 3.107 20 0 BGADLO C[N@H+](CCSC(C)(C)C)Cc1nccs1 ZINC000284381469 385865838 /nfs/dbraw/zinc/86/58/38/385865838.db2.gz MBOJTJUXQHTBSF-UHFFFAOYSA-N 1 2 244.429 3.107 20 0 BGADLO Cc1ccc(C(C)C)c(OCc2c[nH+]cn2C)c1 ZINC000284572629 385874504 /nfs/dbraw/zinc/87/45/04/385874504.db2.gz XAFLCCOGOYNNAN-UHFFFAOYSA-N 1 2 244.338 3.431 20 0 BGADLO CCc1c[nH+]ccc1[C@H](C)[C@@H](C)c1cn[nH]c1 ZINC000284918055 352010380 /nfs/dbraw/zinc/01/03/80/352010380.db2.gz DAKVELRQFCYLJA-GHMZBOCLSA-N 1 2 229.327 3.274 20 0 BGADLO CCc1c[nH+]ccc1[C@@H](C)[C@@H](C)c1cn[nH]c1 ZINC000284918058 352010331 /nfs/dbraw/zinc/01/03/31/352010331.db2.gz DAKVELRQFCYLJA-MNOVXSKESA-N 1 2 229.327 3.274 20 0 BGADLO CCc1c[nH+]ccc1[C@@H](C)[C@H](C)c1cn[nH]c1 ZINC000284918059 352010368 /nfs/dbraw/zinc/01/03/68/352010368.db2.gz DAKVELRQFCYLJA-QWRGUYRKSA-N 1 2 229.327 3.274 20 0 BGADLO CCc1c[nH+]ccc1[C@H](C)[C@H](C)c1cn[nH]c1 ZINC000284918063 352010268 /nfs/dbraw/zinc/01/02/68/352010268.db2.gz DAKVELRQFCYLJA-WDEREUQCSA-N 1 2 229.327 3.274 20 0 BGADLO COc1ccc([NH2+]CCCCF)c(C)c1 ZINC000285029014 175150371 /nfs/dbraw/zinc/15/03/71/175150371.db2.gz DMJNHENHBMXDLZ-UHFFFAOYSA-N 1 2 211.280 3.165 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCCCF ZINC000285057044 352018604 /nfs/dbraw/zinc/01/86/04/352018604.db2.gz GDWWGFHKZQTBON-UHFFFAOYSA-N 1 2 211.280 3.081 20 0 BGADLO COc1cc(C)[nH+]c(CSCCCCF)c1 ZINC000285073974 385897356 /nfs/dbraw/zinc/89/73/56/385897356.db2.gz LWLTWPTTYAWWMO-UHFFFAOYSA-N 1 2 243.347 3.382 20 0 BGADLO CCc1ccc(NCc2[nH+]ccn2C)cc1Cl ZINC000285084129 385897063 /nfs/dbraw/zinc/89/70/63/385897063.db2.gz KYNQMBQXHYACDW-UHFFFAOYSA-N 1 2 249.745 3.248 20 0 BGADLO FCCCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000285116379 385898598 /nfs/dbraw/zinc/89/85/98/385898598.db2.gz KDJCQRJFVVFJRO-UHFFFAOYSA-N 1 2 234.274 3.001 20 0 BGADLO CCOc1ccc([NH2+]CC2CC(OCC)C2)cc1 ZINC000285125677 385901743 /nfs/dbraw/zinc/90/17/43/385901743.db2.gz KGZGXSHGQFACNH-UHFFFAOYSA-N 1 2 249.354 3.312 20 0 BGADLO CCOc1ccc([NH2+]CCCCF)cc1 ZINC000285134827 387242634 /nfs/dbraw/zinc/24/26/34/387242634.db2.gz KUHASLMOLSGZSL-UHFFFAOYSA-N 1 2 211.280 3.247 20 0 BGADLO Cc1[nH+]cccc1Cc1nc(C2CCCC2)no1 ZINC000285261918 180223309 /nfs/dbraw/zinc/22/33/09/180223309.db2.gz HIGXIRPQXDMEFZ-UHFFFAOYSA-N 1 2 243.310 3.021 20 0 BGADLO CCOC1CC(COc2ccc(C)[nH+]c2CC)C1 ZINC000285264913 170326218 /nfs/dbraw/zinc/32/62/18/170326218.db2.gz SRSNIXVUWHLICK-UHFFFAOYSA-N 1 2 249.354 3.146 20 0 BGADLO CCOC1CC(C[NH2+]c2ccc(OC)cc2C)C1 ZINC000285280047 170325701 /nfs/dbraw/zinc/32/57/01/170325701.db2.gz UNLUYHCQWSGBLC-UHFFFAOYSA-N 1 2 249.354 3.231 20 0 BGADLO FCCCC[NH2+]c1ccc(OC(F)F)cc1 ZINC000285282684 387254806 /nfs/dbraw/zinc/25/48/06/387254806.db2.gz UURAMSJMPCVWIZ-UHFFFAOYSA-N 1 2 233.233 3.450 20 0 BGADLO Cc1cc2[nH+]cn(CCCCF)c2cc1C ZINC000285320650 178304951 /nfs/dbraw/zinc/30/49/51/178304951.db2.gz XLDMNORLSHMWOD-UHFFFAOYSA-N 1 2 220.291 3.403 20 0 BGADLO FCCCC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000285331148 385914702 /nfs/dbraw/zinc/91/47/02/385914702.db2.gz YNXWDICADLEYEO-UHFFFAOYSA-N 1 2 233.290 3.034 20 0 BGADLO CC[C@@H](C)Oc1ccc([NH2+]CC2(C)COC2)cc1 ZINC000285362735 385917234 /nfs/dbraw/zinc/91/72/34/385917234.db2.gz FJNMKHAGHZTZLQ-GFCCVEGCSA-N 1 2 249.354 3.312 20 0 BGADLO CC[C@H](C)Oc1ccc([NH2+]CC2(C)COC2)cc1 ZINC000285362737 171356521 /nfs/dbraw/zinc/35/65/21/171356521.db2.gz FJNMKHAGHZTZLQ-LBPRGKRZSA-N 1 2 249.354 3.312 20 0 BGADLO c1coc(C2=CCC[N@H+](Cc3cscn3)C2)c1 ZINC000285370026 187345351 /nfs/dbraw/zinc/34/53/51/187345351.db2.gz QVKQDMNIAYADNU-UHFFFAOYSA-N 1 2 246.335 3.025 20 0 BGADLO c1coc(C2=CCC[N@@H+](Cc3cscn3)C2)c1 ZINC000285370026 187345349 /nfs/dbraw/zinc/34/53/49/187345349.db2.gz QVKQDMNIAYADNU-UHFFFAOYSA-N 1 2 246.335 3.025 20 0 BGADLO CCc1ccc(NCc2[nH]cc[nH+]2)cc1Cl ZINC000285424128 387265619 /nfs/dbraw/zinc/26/56/19/387265619.db2.gz GXAOAGNTTKYSHI-UHFFFAOYSA-N 1 2 235.718 3.238 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)c1cc[nH]c1C(C)C ZINC000285432738 385925130 /nfs/dbraw/zinc/92/51/30/385925130.db2.gz KSTGCQVXAXNPMK-UHFFFAOYSA-N 1 2 243.310 3.094 20 0 BGADLO Cc1cc([C@@H](C)Nc2ccc([NH+](C)C)cc2)no1 ZINC000285460475 178234400 /nfs/dbraw/zinc/23/44/00/178234400.db2.gz ZVGGZIFEHSOKQV-LLVKDONJSA-N 1 2 245.326 3.222 20 0 BGADLO Cc1cc([C@H](C)Nc2ccc([NH+](C)C)cc2)no1 ZINC000285460490 178259319 /nfs/dbraw/zinc/25/93/19/178259319.db2.gz ZVGGZIFEHSOKQV-NSHDSACASA-N 1 2 245.326 3.222 20 0 BGADLO Cc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000285494627 538941016 /nfs/dbraw/zinc/94/10/16/538941016.db2.gz AONJNADQUBQWMU-LLVKDONJSA-N 1 2 215.300 3.200 20 0 BGADLO Cc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1C ZINC000285494632 538941177 /nfs/dbraw/zinc/94/11/77/538941177.db2.gz AONJNADQUBQWMU-NSHDSACASA-N 1 2 215.300 3.200 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CC[C@H](C)CC ZINC000285556846 352050364 /nfs/dbraw/zinc/05/03/64/352050364.db2.gz REJKSUCGQOEFDE-LLVKDONJSA-N 1 2 234.343 3.409 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CC[C@@H](C)CC ZINC000285556847 352049925 /nfs/dbraw/zinc/04/99/25/352049925.db2.gz REJKSUCGQOEFDE-NSHDSACASA-N 1 2 234.343 3.409 20 0 BGADLO CC[C@H](C)CCC(=O)Nc1cc[nH+]cc1C ZINC000285592115 171268398 /nfs/dbraw/zinc/26/83/98/171268398.db2.gz XQUXXKMEJKPTAT-JTQLQIEISA-N 1 2 220.316 3.155 20 0 BGADLO CC[C@@H](C)CCC(=O)Nc1cc[nH+]cc1C ZINC000285592119 385948390 /nfs/dbraw/zinc/94/83/90/385948390.db2.gz XQUXXKMEJKPTAT-SNVBAGLBSA-N 1 2 220.316 3.155 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C)c(C)[nH+]1 ZINC000285593470 385946931 /nfs/dbraw/zinc/94/69/31/385946931.db2.gz XFADZKKTLKWXIF-ZWNOBZJWSA-N 1 2 244.338 3.239 20 0 BGADLO Cc1csc(C[NH2+][C@H](C)c2cc(C)ccn2)n1 ZINC000285818467 385970051 /nfs/dbraw/zinc/97/00/51/385970051.db2.gz WGAFKKDIBGYSIX-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1csc(C[NH2+][C@@H](C)c2cc(C)ccn2)n1 ZINC000285818470 385967913 /nfs/dbraw/zinc/96/79/13/385967913.db2.gz WGAFKKDIBGYSIX-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO CC[C@H](C)CCC(=O)Nc1ccc(C)[nH+]c1C ZINC000285838150 171268523 /nfs/dbraw/zinc/26/85/23/171268523.db2.gz YDZRHZDJNHBCBQ-JTQLQIEISA-N 1 2 234.343 3.463 20 0 BGADLO CC[C@@H](C)CCC(=O)Nc1ccc(C)[nH+]c1C ZINC000285838152 385968967 /nfs/dbraw/zinc/96/89/67/385968967.db2.gz YDZRHZDJNHBCBQ-SNVBAGLBSA-N 1 2 234.343 3.463 20 0 BGADLO CCc1ccccc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000285905401 538942414 /nfs/dbraw/zinc/94/24/14/538942414.db2.gz BMJQZEZGJYWAOM-JTQLQIEISA-N 1 2 215.300 3.145 20 0 BGADLO CCc1ccccc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000285905404 537807594 /nfs/dbraw/zinc/80/75/94/537807594.db2.gz BMJQZEZGJYWAOM-SNVBAGLBSA-N 1 2 215.300 3.145 20 0 BGADLO CCOc1cc(N[C@H](C)c2[nH]cc[nH+]2)ccc1C ZINC000285913165 538942706 /nfs/dbraw/zinc/94/27/06/538942706.db2.gz BYQRSZZSHJOVTA-LLVKDONJSA-N 1 2 245.326 3.290 20 0 BGADLO CCOc1cc(N[C@@H](C)c2[nH]cc[nH+]2)ccc1C ZINC000285913167 538942757 /nfs/dbraw/zinc/94/27/57/538942757.db2.gz BYQRSZZSHJOVTA-NSHDSACASA-N 1 2 245.326 3.290 20 0 BGADLO Cc1c(F)cccc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000285924468 538942268 /nfs/dbraw/zinc/94/22/68/538942268.db2.gz CPVLEOHBFFHGFR-SECBINFHSA-N 1 2 219.263 3.030 20 0 BGADLO Cc1c(F)cccc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000285924471 538942396 /nfs/dbraw/zinc/94/23/96/538942396.db2.gz CPVLEOHBFFHGFR-VIFPVBQESA-N 1 2 219.263 3.030 20 0 BGADLO Cc1cc(NC(=O)c2cc[nH]c2C(C)C)cc[nH+]1 ZINC000285953882 178150152 /nfs/dbraw/zinc/15/01/52/178150152.db2.gz MVJLFLGVNVENLF-UHFFFAOYSA-N 1 2 243.310 3.094 20 0 BGADLO Cc1ccnc([C@@H](C)Nc2ccc(C)[nH+]c2)c1 ZINC000285955039 385981174 /nfs/dbraw/zinc/98/11/74/385981174.db2.gz FGFSMQMTPAGUFG-GFCCVEGCSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1ccnc([C@H](C)Nc2ccc(C)[nH+]c2)c1 ZINC000285955041 385981188 /nfs/dbraw/zinc/98/11/88/385981188.db2.gz FGFSMQMTPAGUFG-LBPRGKRZSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1cc(F)ccc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000285979227 538942274 /nfs/dbraw/zinc/94/22/74/538942274.db2.gz GLCIDGVQUYBBRJ-SECBINFHSA-N 1 2 219.263 3.030 20 0 BGADLO Cc1cc(F)ccc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000285979230 537809153 /nfs/dbraw/zinc/80/91/53/537809153.db2.gz GLCIDGVQUYBBRJ-VIFPVBQESA-N 1 2 219.263 3.030 20 0 BGADLO Cc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1F ZINC000286000745 538942535 /nfs/dbraw/zinc/94/25/35/538942535.db2.gz HNPJAHWRWDKLLP-SECBINFHSA-N 1 2 219.263 3.030 20 0 BGADLO Cc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1F ZINC000286000747 538942560 /nfs/dbraw/zinc/94/25/60/538942560.db2.gz HNPJAHWRWDKLLP-VIFPVBQESA-N 1 2 219.263 3.030 20 0 BGADLO Cc1ccc(C)c(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000286031036 538942473 /nfs/dbraw/zinc/94/24/73/538942473.db2.gz JGDHOKPSKICVLJ-LLVKDONJSA-N 1 2 215.300 3.200 20 0 BGADLO Cc1ccc(C)c(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000286031039 538942773 /nfs/dbraw/zinc/94/27/73/538942773.db2.gz JGDHOKPSKICVLJ-NSHDSACASA-N 1 2 215.300 3.200 20 0 BGADLO Cc1cc(N[C@H](C)c2[nH]cc[nH+]2)ccc1F ZINC000286094665 537809056 /nfs/dbraw/zinc/80/90/56/537809056.db2.gz MHGJTBAVZVJVPG-SECBINFHSA-N 1 2 219.263 3.030 20 0 BGADLO Cc1cc(N[C@@H](C)c2[nH]cc[nH+]2)ccc1F ZINC000286094672 537809370 /nfs/dbraw/zinc/80/93/70/537809370.db2.gz MHGJTBAVZVJVPG-VIFPVBQESA-N 1 2 219.263 3.030 20 0 BGADLO Cc1ccnc([C@@H](C)Nc2c[nH+]ccc2C)c1 ZINC000286103114 385996869 /nfs/dbraw/zinc/99/68/69/385996869.db2.gz MRTKMUZBMJYIGY-GFCCVEGCSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1ccnc([C@H](C)Nc2c[nH+]ccc2C)c1 ZINC000286103118 385997079 /nfs/dbraw/zinc/99/70/79/385997079.db2.gz MRTKMUZBMJYIGY-LBPRGKRZSA-N 1 2 227.311 3.267 20 0 BGADLO CSc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000286103233 538943423 /nfs/dbraw/zinc/94/34/23/538943423.db2.gz MSHXGBGNDOOJAD-SECBINFHSA-N 1 2 233.340 3.305 20 0 BGADLO CSc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000286103237 538942997 /nfs/dbraw/zinc/94/29/97/538942997.db2.gz MSHXGBGNDOOJAD-VIFPVBQESA-N 1 2 233.340 3.305 20 0 BGADLO Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)c(F)c1 ZINC000286117058 538942866 /nfs/dbraw/zinc/94/28/66/538942866.db2.gz NKYWEQUNGALYRW-SECBINFHSA-N 1 2 219.263 3.030 20 0 BGADLO Cc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)c(F)c1 ZINC000286117064 538943017 /nfs/dbraw/zinc/94/30/17/538943017.db2.gz NKYWEQUNGALYRW-VIFPVBQESA-N 1 2 219.263 3.030 20 0 BGADLO CCOC1CC(C[N@@H+](C)c2ccc(C)cc2)C1 ZINC000286130494 170325245 /nfs/dbraw/zinc/32/52/45/170325245.db2.gz WLBBLVYZQYFDNE-UHFFFAOYSA-N 1 2 233.355 3.246 20 0 BGADLO CCOC1CC(C[N@H+](C)c2ccc(C)cc2)C1 ZINC000286130494 170325243 /nfs/dbraw/zinc/32/52/43/170325243.db2.gz WLBBLVYZQYFDNE-UHFFFAOYSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccnc([C@@H](C)Nc2ccc[nH+]c2C)c1 ZINC000286154655 386002393 /nfs/dbraw/zinc/00/23/93/386002393.db2.gz PAGRTVXTKABIHT-GFCCVEGCSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1ccnc([C@H](C)Nc2ccc[nH+]c2C)c1 ZINC000286154658 386002376 /nfs/dbraw/zinc/00/23/76/386002376.db2.gz PAGRTVXTKABIHT-LBPRGKRZSA-N 1 2 227.311 3.267 20 0 BGADLO CCc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000286168338 538943305 /nfs/dbraw/zinc/94/33/05/538943305.db2.gz PSAFABCMAJPVLA-JTQLQIEISA-N 1 2 215.300 3.145 20 0 BGADLO CCc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000286168340 538942993 /nfs/dbraw/zinc/94/29/93/538942993.db2.gz PSAFABCMAJPVLA-SNVBAGLBSA-N 1 2 215.300 3.145 20 0 BGADLO CCc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000286170343 538943035 /nfs/dbraw/zinc/94/30/35/538943035.db2.gz PTWZGUPYWWVRFM-JTQLQIEISA-N 1 2 215.300 3.145 20 0 BGADLO CCc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000286170348 538942871 /nfs/dbraw/zinc/94/28/71/538942871.db2.gz PTWZGUPYWWVRFM-SNVBAGLBSA-N 1 2 215.300 3.145 20 0 BGADLO CSc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000286202188 538943410 /nfs/dbraw/zinc/94/34/10/538943410.db2.gz RJMOBEUOKLEQFT-SECBINFHSA-N 1 2 233.340 3.305 20 0 BGADLO CSc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000286202190 538942943 /nfs/dbraw/zinc/94/29/43/538942943.db2.gz RJMOBEUOKLEQFT-VIFPVBQESA-N 1 2 233.340 3.305 20 0 BGADLO CCOC1CC(C[N@@H+](CC)c2ccccc2)C1 ZINC000286234942 170325096 /nfs/dbraw/zinc/32/50/96/170325096.db2.gz CAQHUZXBMBPNCP-UHFFFAOYSA-N 1 2 233.355 3.328 20 0 BGADLO CCOC1CC(C[N@H+](CC)c2ccccc2)C1 ZINC000286234942 170325094 /nfs/dbraw/zinc/32/50/94/170325094.db2.gz CAQHUZXBMBPNCP-UHFFFAOYSA-N 1 2 233.355 3.328 20 0 BGADLO COc1c(C)ccc(N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000286235026 538943814 /nfs/dbraw/zinc/94/38/14/538943814.db2.gz TTXRERWKPJCSMO-LLVKDONJSA-N 1 2 245.326 3.208 20 0 BGADLO COc1c(C)ccc(N[C@@H](C)c2[nH]cc[nH+]2)c1C ZINC000286235031 538943884 /nfs/dbraw/zinc/94/38/84/538943884.db2.gz TTXRERWKPJCSMO-NSHDSACASA-N 1 2 245.326 3.208 20 0 BGADLO Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)c(C)c1 ZINC000286297610 538943669 /nfs/dbraw/zinc/94/36/69/538943669.db2.gz WWJWBKDFYFUVJK-LLVKDONJSA-N 1 2 215.300 3.200 20 0 BGADLO Cc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)c(C)c1 ZINC000286297612 538943569 /nfs/dbraw/zinc/94/35/69/538943569.db2.gz WWJWBKDFYFUVJK-NSHDSACASA-N 1 2 215.300 3.200 20 0 BGADLO Cc1cc(F)cc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000286304794 538943801 /nfs/dbraw/zinc/94/38/01/538943801.db2.gz XGJXDWMLHDPFJF-SECBINFHSA-N 1 2 219.263 3.030 20 0 BGADLO Cc1cc(F)cc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000286304798 538944013 /nfs/dbraw/zinc/94/40/13/538944013.db2.gz XGJXDWMLHDPFJF-VIFPVBQESA-N 1 2 219.263 3.030 20 0 BGADLO CCOCc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000286329646 538944158 /nfs/dbraw/zinc/94/41/58/538944158.db2.gz YIWXAENWGMJRTK-LLVKDONJSA-N 1 2 245.326 3.119 20 0 BGADLO CCOCc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000286329651 538943655 /nfs/dbraw/zinc/94/36/55/538943655.db2.gz YIWXAENWGMJRTK-NSHDSACASA-N 1 2 245.326 3.119 20 0 BGADLO Cc1ccc(F)cc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000286349589 538944096 /nfs/dbraw/zinc/94/40/96/538944096.db2.gz ZEFPNCHILNXIGE-SECBINFHSA-N 1 2 219.263 3.030 20 0 BGADLO Cc1ccc(F)cc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000286349592 538944094 /nfs/dbraw/zinc/94/40/94/538944094.db2.gz ZEFPNCHILNXIGE-VIFPVBQESA-N 1 2 219.263 3.030 20 0 BGADLO CCSCCSCc1c[nH+]ccc1OC ZINC000286390674 386034502 /nfs/dbraw/zinc/03/45/02/386034502.db2.gz DSRATJGGDDCLRW-UHFFFAOYSA-N 1 2 243.397 3.077 20 0 BGADLO CC(C)(C)Oc1ccc([NH2+]CC2(C)COC2)cc1 ZINC000286449289 168048609 /nfs/dbraw/zinc/04/86/09/168048609.db2.gz JRCMJISYFDHJSI-UHFFFAOYSA-N 1 2 249.354 3.312 20 0 BGADLO COc1cc[nH+]cc1CSC1CCCC1 ZINC000286452327 175373519 /nfs/dbraw/zinc/37/35/19/175373519.db2.gz FVAOKAAHOWKBLI-UHFFFAOYSA-N 1 2 223.341 3.266 20 0 BGADLO Cc1cc([NH2+]CC2(C)COC2)ccc1OC(C)C ZINC000286463906 178156620 /nfs/dbraw/zinc/15/66/20/178156620.db2.gz KMHCEBOLSICYSZ-UHFFFAOYSA-N 1 2 249.354 3.231 20 0 BGADLO COc1cc[nH+]cc1CSCc1ccco1 ZINC000286465337 175373560 /nfs/dbraw/zinc/37/35/60/175373560.db2.gz GOMKYJYELCXHSY-UHFFFAOYSA-N 1 2 235.308 3.117 20 0 BGADLO CC(C)SCCNc1cc[nH+]c2ccncc12 ZINC000286501033 167333523 /nfs/dbraw/zinc/33/35/23/167333523.db2.gz SDIRPPUYRGJKDC-UHFFFAOYSA-N 1 2 247.367 3.183 20 0 BGADLO Cc1nc(N[C@H](C)c2ccc(Cl)cn2)cc[nH+]1 ZINC000286569137 180205725 /nfs/dbraw/zinc/20/57/25/180205725.db2.gz LLCQJLYIMFZTNZ-MRVPVSSYSA-N 1 2 248.717 3.007 20 0 BGADLO COc1cc[nH+]cc1CSc1ccoc1C ZINC000286570283 175372804 /nfs/dbraw/zinc/37/28/04/175372804.db2.gz QNXIKVGHVBWYKR-UHFFFAOYSA-N 1 2 235.308 3.284 20 0 BGADLO CC1(C)CN(Cc2[nH]cc[nH+]2)[C@@H]1c1cccs1 ZINC000286681077 352099964 /nfs/dbraw/zinc/09/99/64/352099964.db2.gz CGFVKZXMEAUOPJ-GFCCVEGCSA-N 1 2 247.367 3.054 20 0 BGADLO CC1(C)CN(Cc2[nH]cc[nH+]2)[C@H]1c1cccs1 ZINC000286681078 352099882 /nfs/dbraw/zinc/09/98/82/352099882.db2.gz CGFVKZXMEAUOPJ-LBPRGKRZSA-N 1 2 247.367 3.054 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccon2)[C@@H]1c1cccs1 ZINC000286706216 352102467 /nfs/dbraw/zinc/10/24/67/352102467.db2.gz FEYNEAIZOIJBLB-GFCCVEGCSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@H+](Cc2ccon2)[C@@H]1c1cccs1 ZINC000286706216 352102465 /nfs/dbraw/zinc/10/24/65/352102465.db2.gz FEYNEAIZOIJBLB-GFCCVEGCSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccon2)[C@H]1c1cccs1 ZINC000286706219 352102324 /nfs/dbraw/zinc/10/23/24/352102324.db2.gz FEYNEAIZOIJBLB-LBPRGKRZSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@H+](Cc2ccon2)[C@H]1c1cccs1 ZINC000286706219 352102321 /nfs/dbraw/zinc/10/23/21/352102321.db2.gz FEYNEAIZOIJBLB-LBPRGKRZSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccno2)[C@@H]1c1cccs1 ZINC000286729065 352103851 /nfs/dbraw/zinc/10/38/51/352103851.db2.gz HAMXPAZMWJGOHQ-GFCCVEGCSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@H+](Cc2ccno2)[C@@H]1c1cccs1 ZINC000286729065 352103848 /nfs/dbraw/zinc/10/38/48/352103848.db2.gz HAMXPAZMWJGOHQ-GFCCVEGCSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccno2)[C@H]1c1cccs1 ZINC000286729068 352103625 /nfs/dbraw/zinc/10/36/25/352103625.db2.gz HAMXPAZMWJGOHQ-LBPRGKRZSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@H+](Cc2ccno2)[C@H]1c1cccs1 ZINC000286729068 352103623 /nfs/dbraw/zinc/10/36/23/352103623.db2.gz HAMXPAZMWJGOHQ-LBPRGKRZSA-N 1 2 248.351 3.319 20 0 BGADLO CC[C@H](C)CN(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000286953268 171270178 /nfs/dbraw/zinc/27/01/78/171270178.db2.gz AFOHFGWILMBOPR-JTQLQIEISA-N 1 2 249.358 3.208 20 0 BGADLO CC[C@@H](C)CN(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000286953273 386086091 /nfs/dbraw/zinc/08/60/91/386086091.db2.gz AFOHFGWILMBOPR-SNVBAGLBSA-N 1 2 249.358 3.208 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)CC(C)C ZINC000286963721 386086451 /nfs/dbraw/zinc/08/64/51/386086451.db2.gz AVXDXUXHKJVMOG-LLVKDONJSA-N 1 2 249.358 3.255 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)CC(C)C ZINC000286963726 386085858 /nfs/dbraw/zinc/08/58/58/386085858.db2.gz AVXDXUXHKJVMOG-NSHDSACASA-N 1 2 249.358 3.255 20 0 BGADLO CCCC(C)(C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000286980007 386089991 /nfs/dbraw/zinc/08/99/91/386089991.db2.gz BWGQFSMJIHAPPG-UHFFFAOYSA-N 1 2 249.358 3.399 20 0 BGADLO CC(C)OCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287255898 167237135 /nfs/dbraw/zinc/23/71/35/167237135.db2.gz HBSICIVGHXIWAU-UHFFFAOYSA-N 1 2 239.746 3.081 20 0 BGADLO CC(C)OCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287255898 167237131 /nfs/dbraw/zinc/23/71/31/167237131.db2.gz HBSICIVGHXIWAU-UHFFFAOYSA-N 1 2 239.746 3.081 20 0 BGADLO CCC(=O)CC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287320805 168205295 /nfs/dbraw/zinc/20/52/95/168205295.db2.gz JYDACRSFYAQMHZ-UHFFFAOYSA-N 1 2 237.730 3.025 20 0 BGADLO CCC(=O)CC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287320805 168205292 /nfs/dbraw/zinc/20/52/92/168205292.db2.gz JYDACRSFYAQMHZ-UHFFFAOYSA-N 1 2 237.730 3.025 20 0 BGADLO CCC1(CNC(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000287407591 386120317 /nfs/dbraw/zinc/12/03/17/386120317.db2.gz DZDDEEARJAJHDG-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO COc1cc[nH+]cc1CN(C)c1cccc(C)c1 ZINC000287420085 537834858 /nfs/dbraw/zinc/83/48/58/537834858.db2.gz SVTKWKTYHLTFTF-UHFFFAOYSA-N 1 2 242.322 3.035 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1CCCC1 ZINC000287436099 188388170 /nfs/dbraw/zinc/38/81/70/188388170.db2.gz GZNUNMQUZGHQGT-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO CCC[C@@H](C)N(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287455744 169362854 /nfs/dbraw/zinc/36/28/54/169362854.db2.gz IIZCNRDPBRHFRG-LLVKDONJSA-N 1 2 249.358 3.351 20 0 BGADLO CCC[C@H](C)N(C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287455746 386125664 /nfs/dbraw/zinc/12/56/64/386125664.db2.gz IIZCNRDPBRHFRG-NSHDSACASA-N 1 2 249.358 3.351 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCC1(C)C ZINC000287455946 386127177 /nfs/dbraw/zinc/12/71/77/386127177.db2.gz ILNXWEHNGUQQAF-LLVKDONJSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCC1(C)C ZINC000287455951 386126408 /nfs/dbraw/zinc/12/64/08/386126408.db2.gz ILNXWEHNGUQQAF-NSHDSACASA-N 1 2 247.342 3.009 20 0 BGADLO CCCCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287466435 386125850 /nfs/dbraw/zinc/12/58/50/386125850.db2.gz JDHYESBDFQMODW-UHFFFAOYSA-N 1 2 235.331 3.010 20 0 BGADLO CCC(C)(C)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287475702 168279594 /nfs/dbraw/zinc/27/95/94/168279594.db2.gz JUGTXPKITWEPSM-UHFFFAOYSA-N 1 2 249.358 3.256 20 0 BGADLO CSCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287475860 386126527 /nfs/dbraw/zinc/12/65/27/386126527.db2.gz SAWVPRODGKFTMV-UHFFFAOYSA-N 1 2 227.760 3.019 20 0 BGADLO CSCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287475860 386126523 /nfs/dbraw/zinc/12/65/23/386126523.db2.gz SAWVPRODGKFTMV-UHFFFAOYSA-N 1 2 227.760 3.019 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NC1CCCCC1 ZINC000287494939 386128356 /nfs/dbraw/zinc/12/83/56/386128356.db2.gz LDHYPKWPXGWXFD-UHFFFAOYSA-N 1 2 247.342 3.153 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCCCCC1 ZINC000287512557 188096102 /nfs/dbraw/zinc/09/61/02/188096102.db2.gz MFKAQPKOVSYZHA-UHFFFAOYSA-N 1 2 247.342 3.106 20 0 BGADLO CCCN(C(=O)Nc1c(C)cc[nH+]c1C)C1CC1 ZINC000287517678 169043580 /nfs/dbraw/zinc/04/35/80/169043580.db2.gz MQFLVIGYFOQSLU-UHFFFAOYSA-N 1 2 247.342 3.105 20 0 BGADLO CCCCN(CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287521967 168794372 /nfs/dbraw/zinc/79/43/72/168794372.db2.gz MUTIVWVQMJVOQG-UHFFFAOYSA-N 1 2 249.358 3.352 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)C1CCCC1 ZINC000287524430 386132346 /nfs/dbraw/zinc/13/23/46/386132346.db2.gz NACISYTVDWUTPU-UHFFFAOYSA-N 1 2 247.342 3.105 20 0 BGADLO CCC(C)(CC)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287531704 168309105 /nfs/dbraw/zinc/30/91/05/168309105.db2.gz NLUXQPRXSCWNIJ-UHFFFAOYSA-N 1 2 249.358 3.399 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@H](C)C(C)C ZINC000287536235 187346271 /nfs/dbraw/zinc/34/62/71/187346271.db2.gz NYDDQEYDUJPNLK-GFCCVEGCSA-N 1 2 249.358 3.207 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)[C@@H](C)C(C)C ZINC000287536239 386132434 /nfs/dbraw/zinc/13/24/34/386132434.db2.gz NYDDQEYDUJPNLK-LBPRGKRZSA-N 1 2 249.358 3.207 20 0 BGADLO CCC1(NC(=O)Nc2c(C)cc[nH+]c2C)CCC1 ZINC000287540909 411462053 /nfs/dbraw/zinc/46/20/53/411462053.db2.gz OEHFUOMIKSKHQP-UHFFFAOYSA-N 1 2 247.342 3.153 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NCCC1(C)CC1 ZINC000287558265 386134947 /nfs/dbraw/zinc/13/49/47/386134947.db2.gz PJEPJMIGXDWTCH-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO CCC(CC)CNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287567620 538945117 /nfs/dbraw/zinc/94/51/17/538945117.db2.gz PYGMCRCHXLLXJP-UHFFFAOYSA-N 1 2 249.358 3.256 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@H]1C ZINC000287569840 188209054 /nfs/dbraw/zinc/20/90/54/188209054.db2.gz QBQGCLPMDPVLHS-LLVKDONJSA-N 1 2 247.342 3.105 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@@H]1C ZINC000287569847 385105125 /nfs/dbraw/zinc/10/51/25/385105125.db2.gz QBQGCLPMDPVLHS-NSHDSACASA-N 1 2 247.342 3.105 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N1CCCC1(C)C ZINC000287572004 385105511 /nfs/dbraw/zinc/10/55/11/385105511.db2.gz QGBFGFGHGUAZBH-UHFFFAOYSA-N 1 2 247.342 3.105 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NCC1(C)CCC1 ZINC000287574560 188209570 /nfs/dbraw/zinc/20/95/70/188209570.db2.gz QMTVJHAGFYUGHJ-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO CC[C@H](C)[C@@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287586585 171363243 /nfs/dbraw/zinc/36/32/43/171363243.db2.gz RFGXTMOMEVYRDF-GXSJLCMTSA-N 1 2 249.358 3.255 20 0 BGADLO CC[C@@H](C)[C@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287586589 386134807 /nfs/dbraw/zinc/13/48/07/386134807.db2.gz RFGXTMOMEVYRDF-KOLCDFICSA-N 1 2 249.358 3.255 20 0 BGADLO CC[C@@H](C)[C@@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287586593 386135885 /nfs/dbraw/zinc/13/58/85/386135885.db2.gz RFGXTMOMEVYRDF-MWLCHTKSSA-N 1 2 249.358 3.255 20 0 BGADLO CC[C@H](C)[C@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287586598 171387313 /nfs/dbraw/zinc/38/73/13/171387313.db2.gz RFGXTMOMEVYRDF-ONGXEEELSA-N 1 2 249.358 3.255 20 0 BGADLO CCN(CC(C)C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287590817 386134622 /nfs/dbraw/zinc/13/46/22/386134622.db2.gz RJUJTXMRVZTLRO-UHFFFAOYSA-N 1 2 249.358 3.208 20 0 BGADLO CCC(C)(C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287610671 168293747 /nfs/dbraw/zinc/29/37/47/168293747.db2.gz STQHIQMBJQKQST-UHFFFAOYSA-N 1 2 235.331 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CC(C)(C)C ZINC000287612926 386137637 /nfs/dbraw/zinc/13/76/37/386137637.db2.gz SYNNRWHBMOLCOU-UHFFFAOYSA-N 1 2 249.358 3.208 20 0 BGADLO CCCCCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287613025 386137097 /nfs/dbraw/zinc/13/70/97/386137097.db2.gz SZMXFIBJMSQRFS-UHFFFAOYSA-N 1 2 249.358 3.400 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NCCCC(C)C ZINC000287619488 386136477 /nfs/dbraw/zinc/13/64/77/386136477.db2.gz UDMRDYFDTFJTNC-UHFFFAOYSA-N 1 2 249.358 3.256 20 0 BGADLO CCC(CC)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287652822 168380970 /nfs/dbraw/zinc/38/09/70/168380970.db2.gz WMGAPMBASMZCIY-UHFFFAOYSA-N 1 2 235.331 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NC1(C)CCCC1 ZINC000287655121 187346274 /nfs/dbraw/zinc/34/62/74/187346274.db2.gz WODTZSPAKIIELL-UHFFFAOYSA-N 1 2 247.342 3.153 20 0 BGADLO CCCN(CCC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000287655555 169143654 /nfs/dbraw/zinc/14/36/54/169143654.db2.gz WRNDNEKZYXEZFC-UHFFFAOYSA-N 1 2 249.358 3.352 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCC[C@H]1C ZINC000287660650 386141256 /nfs/dbraw/zinc/14/12/56/386141256.db2.gz WZXYSNMXRHQQJE-BXKDBHETSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCC[C@@H]1C ZINC000287660654 386140359 /nfs/dbraw/zinc/14/03/59/386140359.db2.gz WZXYSNMXRHQQJE-CABZTGNLSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CCC[C@@H]1C ZINC000287660659 188209951 /nfs/dbraw/zinc/20/99/51/188209951.db2.gz WZXYSNMXRHQQJE-JOYOIKCWSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CCC[C@H]1C ZINC000287660664 386141223 /nfs/dbraw/zinc/14/12/23/386141223.db2.gz WZXYSNMXRHQQJE-SKDRFNHKSA-N 1 2 247.342 3.009 20 0 BGADLO CC(C)=CCCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000287667818 187346442 /nfs/dbraw/zinc/34/64/42/187346442.db2.gz XJMPGXACNDJRQT-UHFFFAOYSA-N 1 2 247.342 3.176 20 0 BGADLO CCC[C@@H](CC)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287695088 169377565 /nfs/dbraw/zinc/37/75/65/169377565.db2.gz ZFRHQOGBVKBVLC-GFCCVEGCSA-N 1 2 249.358 3.399 20 0 BGADLO CCC[C@H](CC)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000287695091 386142486 /nfs/dbraw/zinc/14/24/86/386142486.db2.gz ZFRHQOGBVKBVLC-LBPRGKRZSA-N 1 2 249.358 3.399 20 0 BGADLO C[C@H](CF)[NH2+]Cc1c(Cl)cccc1Cl ZINC000288522975 388778886 /nfs/dbraw/zinc/77/88/86/388778886.db2.gz UUOGKAOSXSNXTK-SSDOTTSWSA-N 1 2 236.117 3.441 20 0 BGADLO C[C@@H](CF)[NH2+]Cc1c(Cl)cccc1Cl ZINC000288522980 175693461 /nfs/dbraw/zinc/69/34/61/175693461.db2.gz UUOGKAOSXSNXTK-ZETCQYMHSA-N 1 2 236.117 3.441 20 0 BGADLO Cl/C=C(\Cl)C[N@H+]1CCCc2occc2C1 ZINC000288636631 386222086 /nfs/dbraw/zinc/22/20/86/386222086.db2.gz AGAFGDBURZVCOO-POHAHGRESA-N 1 2 246.137 3.347 20 0 BGADLO Cl/C=C(\Cl)C[N@@H+]1CCCc2occc2C1 ZINC000288636631 386222082 /nfs/dbraw/zinc/22/20/82/386222082.db2.gz AGAFGDBURZVCOO-POHAHGRESA-N 1 2 246.137 3.347 20 0 BGADLO CCC(CC)N(CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000288768227 168370979 /nfs/dbraw/zinc/37/09/79/168370979.db2.gz IKAIIQCPGUDIND-UHFFFAOYSA-N 1 2 249.358 3.432 20 0 BGADLO CCC(CC)N(CC)C(=O)Nc1cc[nH+]cc1C ZINC000288831340 168370448 /nfs/dbraw/zinc/37/04/48/168370448.db2.gz NAJZJCDWCHCVLL-UHFFFAOYSA-N 1 2 249.358 3.432 20 0 BGADLO CCC(CC)c1noc(Cc2ccc[nH+]c2C)n1 ZINC000289064187 386257353 /nfs/dbraw/zinc/25/73/53/386257353.db2.gz GMBCLAHDIVAGEG-UHFFFAOYSA-N 1 2 245.326 3.267 20 0 BGADLO Cc1ccc(NC(=O)N[C@@H]2CCC2(C)C)c(C)[nH+]1 ZINC000289083639 386260333 /nfs/dbraw/zinc/26/03/33/386260333.db2.gz OAPARNHEMQBXBE-GFCCVEGCSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)N[C@H]2CCC2(C)C)c(C)[nH+]1 ZINC000289083647 386260009 /nfs/dbraw/zinc/26/00/09/386260009.db2.gz OAPARNHEMQBXBE-LBPRGKRZSA-N 1 2 247.342 3.009 20 0 BGADLO C[C@H]1CC[C@@H]([NH2+]c2ccc(OCCCO)cc2)C1 ZINC000289184031 177194228 /nfs/dbraw/zinc/19/42/28/177194228.db2.gz ALPMBPRHXIBVNH-GXTWGEPZSA-N 1 2 249.354 3.048 20 0 BGADLO C[C@H]1CC[C@H]([NH2+]c2ccc(OCCCO)cc2)C1 ZINC000289184032 177205374 /nfs/dbraw/zinc/20/53/74/177205374.db2.gz ALPMBPRHXIBVNH-JSGCOSHPSA-N 1 2 249.354 3.048 20 0 BGADLO C[C@@H]1CC[C@H]([NH2+]c2ccc(OCCCO)cc2)C1 ZINC000289184035 176235231 /nfs/dbraw/zinc/23/52/31/176235231.db2.gz ALPMBPRHXIBVNH-OCCSQVGLSA-N 1 2 249.354 3.048 20 0 BGADLO C[C@@H]1CC[C@@H]([NH2+]c2ccc(OCCCO)cc2)C1 ZINC000289184036 176214016 /nfs/dbraw/zinc/21/40/16/176214016.db2.gz ALPMBPRHXIBVNH-TZMCWYRMSA-N 1 2 249.354 3.048 20 0 BGADLO C[N@@H+](Cc1cscc1Br)C1CC1 ZINC000289229791 386573287 /nfs/dbraw/zinc/57/32/87/386573287.db2.gz YKCJLAUBNMWGIN-UHFFFAOYSA-N 1 2 246.173 3.105 20 0 BGADLO C[N@H+](Cc1cscc1Br)C1CC1 ZINC000289229791 386573281 /nfs/dbraw/zinc/57/32/81/386573281.db2.gz YKCJLAUBNMWGIN-UHFFFAOYSA-N 1 2 246.173 3.105 20 0 BGADLO COc1ccc([NH2+]CC2(SC)CC2)cc1 ZINC000289231253 175151180 /nfs/dbraw/zinc/15/11/80/175151180.db2.gz KDQIAYFPNRZUMS-UHFFFAOYSA-N 1 2 223.341 3.003 20 0 BGADLO C[C@@H]([NH2+]c1ccc(OCCCO)cc1)C1CCC1 ZINC000289249909 386277451 /nfs/dbraw/zinc/27/74/51/386277451.db2.gz FCAIUDCQDMXPAV-GFCCVEGCSA-N 1 2 249.354 3.048 20 0 BGADLO C[C@H]([NH2+]c1ccc(OCCCO)cc1)C1CCC1 ZINC000289249911 386278411 /nfs/dbraw/zinc/27/84/11/386278411.db2.gz FCAIUDCQDMXPAV-LBPRGKRZSA-N 1 2 249.354 3.048 20 0 BGADLO C[C@@H]1CCCC[N@H+]1Cc1csc(Cl)n1 ZINC000289251963 176073367 /nfs/dbraw/zinc/07/33/67/176073367.db2.gz BNGPICXZSZRTDV-MRVPVSSYSA-N 1 2 230.764 3.171 20 0 BGADLO C[C@@H]1CCCC[N@@H+]1Cc1csc(Cl)n1 ZINC000289251963 176073365 /nfs/dbraw/zinc/07/33/65/176073365.db2.gz BNGPICXZSZRTDV-MRVPVSSYSA-N 1 2 230.764 3.171 20 0 BGADLO C[C@H]1CCCC[N@H+]1Cc1csc(Cl)n1 ZINC000289251965 177076532 /nfs/dbraw/zinc/07/65/32/177076532.db2.gz BNGPICXZSZRTDV-QMMMGPOBSA-N 1 2 230.764 3.171 20 0 BGADLO C[C@H]1CCCC[N@@H+]1Cc1csc(Cl)n1 ZINC000289251965 177076529 /nfs/dbraw/zinc/07/65/29/177076529.db2.gz BNGPICXZSZRTDV-QMMMGPOBSA-N 1 2 230.764 3.171 20 0 BGADLO Cc1cc[nH+]cc1CCCNc1ccccc1 ZINC000289260598 179478792 /nfs/dbraw/zinc/47/87/92/179478792.db2.gz MPQTUEXPGOCABD-UHFFFAOYSA-N 1 2 226.323 3.435 20 0 BGADLO CSC1(C[NH2+]c2ccc(N(C)C)cc2)CC1 ZINC000289266934 386277278 /nfs/dbraw/zinc/27/72/78/386277278.db2.gz NCIVPQVXANOIQA-UHFFFAOYSA-N 1 2 236.384 3.060 20 0 BGADLO CSC1(CNc2ccc([NH+](C)C)cc2)CC1 ZINC000289266934 386277275 /nfs/dbraw/zinc/27/72/75/386277275.db2.gz NCIVPQVXANOIQA-UHFFFAOYSA-N 1 2 236.384 3.060 20 0 BGADLO CC[C@@H]1CCC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000289278468 353621577 /nfs/dbraw/zinc/62/15/77/353621577.db2.gz FTEKNULNKBZWNW-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@@H]1CCC[N@H+](Cc2csc(Cl)n2)C1 ZINC000289278468 353621574 /nfs/dbraw/zinc/62/15/74/353621574.db2.gz FTEKNULNKBZWNW-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@H]1CCC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000289278469 386573143 /nfs/dbraw/zinc/57/31/43/386573143.db2.gz FTEKNULNKBZWNW-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@H]1CCC[N@H+](Cc2csc(Cl)n2)C1 ZINC000289278469 386573138 /nfs/dbraw/zinc/57/31/38/386573138.db2.gz FTEKNULNKBZWNW-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO CC1=CC[N@@H+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000289284494 168116098 /nfs/dbraw/zinc/11/60/98/168116098.db2.gz AGSFRMSUOVLODB-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC1=CC[N@H+](Cc2cc(C(C)(C)C)on2)CC1 ZINC000289284494 168116095 /nfs/dbraw/zinc/11/60/95/168116095.db2.gz AGSFRMSUOVLODB-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO Cc1nc([C@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)no1 ZINC000289322540 180048044 /nfs/dbraw/zinc/04/80/44/180048044.db2.gz GKMCANBWVHRNAY-JTQLQIEISA-N 1 2 249.358 3.117 20 0 BGADLO Cc1nc([C@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)no1 ZINC000289322540 180048041 /nfs/dbraw/zinc/04/80/41/180048041.db2.gz GKMCANBWVHRNAY-JTQLQIEISA-N 1 2 249.358 3.117 20 0 BGADLO Cc1nc([C@@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)no1 ZINC000289322542 180033528 /nfs/dbraw/zinc/03/35/28/180033528.db2.gz GKMCANBWVHRNAY-SNVBAGLBSA-N 1 2 249.358 3.117 20 0 BGADLO Cc1nc([C@@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)no1 ZINC000289322542 180033525 /nfs/dbraw/zinc/03/35/25/180033525.db2.gz GKMCANBWVHRNAY-SNVBAGLBSA-N 1 2 249.358 3.117 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2)no1 ZINC000289338860 386287952 /nfs/dbraw/zinc/28/79/52/386287952.db2.gz IYHSLFZIKWVMNB-GHMZBOCLSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2)no1 ZINC000289338862 386287263 /nfs/dbraw/zinc/28/72/63/386287263.db2.gz IYHSLFZIKWVMNB-MNOVXSKESA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)no1 ZINC000289338864 386288241 /nfs/dbraw/zinc/28/82/41/386288241.db2.gz IYHSLFZIKWVMNB-QWRGUYRKSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2)no1 ZINC000289338866 386287930 /nfs/dbraw/zinc/28/79/30/386287930.db2.gz IYHSLFZIKWVMNB-WDEREUQCSA-N 1 2 245.326 3.098 20 0 BGADLO CC1=CCC[N@@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC000289338962 168098968 /nfs/dbraw/zinc/09/89/68/168098968.db2.gz FRDDWOYJKANERG-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC1=CCC[N@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC000289338962 168098964 /nfs/dbraw/zinc/09/89/64/168098964.db2.gz FRDDWOYJKANERG-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)o1 ZINC000289380586 386292419 /nfs/dbraw/zinc/29/24/19/386292419.db2.gz MLBRCFOIWZSREP-AWEZNQCLSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)o1 ZINC000289380586 386292412 /nfs/dbraw/zinc/29/24/12/386292412.db2.gz MLBRCFOIWZSREP-AWEZNQCLSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)o1 ZINC000289380588 386292726 /nfs/dbraw/zinc/29/27/26/386292726.db2.gz MLBRCFOIWZSREP-CQSZACIVSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)o1 ZINC000289380588 386292723 /nfs/dbraw/zinc/29/27/23/386292723.db2.gz MLBRCFOIWZSREP-CQSZACIVSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccoc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000289385951 386296995 /nfs/dbraw/zinc/29/69/95/386296995.db2.gz MZCKSHMOQXMDMR-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccoc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000289385951 386296990 /nfs/dbraw/zinc/29/69/90/386296990.db2.gz MZCKSHMOQXMDMR-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccoc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000289385953 386296069 /nfs/dbraw/zinc/29/60/69/386296069.db2.gz MZCKSHMOQXMDMR-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1ccoc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000289385953 386296063 /nfs/dbraw/zinc/29/60/63/386296063.db2.gz MZCKSHMOQXMDMR-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO Cn1c2ccccc2[nH+]c1CCSCC1CC1 ZINC000289391683 386296631 /nfs/dbraw/zinc/29/66/31/386296631.db2.gz LWNOZEOUAXZSSV-UHFFFAOYSA-N 1 2 246.379 3.259 20 0 BGADLO COc1cc[nH+]cc1CSCC1CCC1 ZINC000289424688 175374220 /nfs/dbraw/zinc/37/42/20/175374220.db2.gz QFKSXQWPCGQEHF-UHFFFAOYSA-N 1 2 223.341 3.124 20 0 BGADLO CC(C)SCCc1[nH+]c2ccccc2n1C ZINC000289442851 167333658 /nfs/dbraw/zinc/33/36/58/167333658.db2.gz SINWKMAMWSMTOB-UHFFFAOYSA-N 1 2 234.368 3.257 20 0 BGADLO COc1cc[nH+]cc1CSCCCCCF ZINC000289459478 175373684 /nfs/dbraw/zinc/37/36/84/175373684.db2.gz UXVCRDXPVBNCKD-UHFFFAOYSA-N 1 2 243.347 3.463 20 0 BGADLO CCCCSCc1c[nH+]ccc1OC ZINC000289473468 352187337 /nfs/dbraw/zinc/18/73/37/352187337.db2.gz WLAAHYLYZCKUGX-UHFFFAOYSA-N 1 2 211.330 3.124 20 0 BGADLO C/C=C/CSCCc1[nH+]c2ccccc2n1C ZINC000289476305 188210891 /nfs/dbraw/zinc/21/08/91/188210891.db2.gz WTVQQLWAUYUHDJ-ONEGZZNKSA-N 1 2 246.379 3.425 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1scnc1C ZINC000289487014 352187676 /nfs/dbraw/zinc/18/76/76/352187676.db2.gz YPBQAHCEIYHYEW-UHFFFAOYSA-N 1 2 248.351 3.296 20 0 BGADLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cnns2)cc1 ZINC000289498019 386317673 /nfs/dbraw/zinc/31/76/73/386317673.db2.gz DFCFLZTWPSBSHD-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc([C@@H](C)[N@H+](C)Cc2cnns2)cc1 ZINC000289498019 386317669 /nfs/dbraw/zinc/31/76/69/386317669.db2.gz DFCFLZTWPSBSHD-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc([C@H](C)[N@@H+](C)Cc2cnns2)cc1 ZINC000289498022 386316488 /nfs/dbraw/zinc/31/64/88/386316488.db2.gz DFCFLZTWPSBSHD-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc([C@H](C)[N@H+](C)Cc2cnns2)cc1 ZINC000289498022 386316482 /nfs/dbraw/zinc/31/64/82/386316482.db2.gz DFCFLZTWPSBSHD-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cc(C)cc([N@@H+](C)CC2CCC(=O)CC2)c1 ZINC000289512476 386320642 /nfs/dbraw/zinc/32/06/42/386320642.db2.gz FMIRBKSGIAXLCI-UHFFFAOYSA-N 1 2 245.366 3.499 20 0 BGADLO Cc1cc(C)cc([N@H+](C)CC2CCC(=O)CC2)c1 ZINC000289512476 386320638 /nfs/dbraw/zinc/32/06/38/386320638.db2.gz FMIRBKSGIAXLCI-UHFFFAOYSA-N 1 2 245.366 3.499 20 0 BGADLO C[C@@H]1CCC[C@@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000289518490 176133102 /nfs/dbraw/zinc/13/31/02/176133102.db2.gz HAUTYRNUELMZRI-DOMZBBRYSA-N 1 2 249.354 3.048 20 0 BGADLO C[C@@H]1CCC[C@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000289518495 176151627 /nfs/dbraw/zinc/15/16/27/176151627.db2.gz HAUTYRNUELMZRI-IUODEOHRSA-N 1 2 249.354 3.048 20 0 BGADLO C[C@H]1CCC[C@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000289518501 177142835 /nfs/dbraw/zinc/14/28/35/177142835.db2.gz HAUTYRNUELMZRI-SWLSCSKDSA-N 1 2 249.354 3.048 20 0 BGADLO C[C@H]1CCC[C@@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000289518506 177126550 /nfs/dbraw/zinc/12/65/50/177126550.db2.gz HAUTYRNUELMZRI-WFASDCNBSA-N 1 2 249.354 3.048 20 0 BGADLO CC1CC[NH+](Cc2csc(Cl)n2)CC1 ZINC000289520754 168184791 /nfs/dbraw/zinc/18/47/91/168184791.db2.gz FWPGSTMBPFVGEJ-UHFFFAOYSA-N 1 2 230.764 3.028 20 0 BGADLO Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000289595454 386331578 /nfs/dbraw/zinc/33/15/78/386331578.db2.gz ULPUCGGNHGISJJ-JTQLQIEISA-N 1 2 249.745 3.222 20 0 BGADLO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000289595454 386331575 /nfs/dbraw/zinc/33/15/75/386331575.db2.gz ULPUCGGNHGISJJ-JTQLQIEISA-N 1 2 249.745 3.222 20 0 BGADLO c1[nH+]c(SCOC2CCCC2)n2ccccc12 ZINC000289615707 386336019 /nfs/dbraw/zinc/33/60/19/386336019.db2.gz LEOMKBKJCQMUNZ-UHFFFAOYSA-N 1 2 248.351 3.343 20 0 BGADLO C[C@H](CC1CC1)[NH2+]c1ccc(OCCCO)cc1 ZINC000289618090 386335981 /nfs/dbraw/zinc/33/59/81/386335981.db2.gz LMCIKYDHGBLAKZ-GFCCVEGCSA-N 1 2 249.354 3.048 20 0 BGADLO C[C@@H](CC1CC1)[NH2+]c1ccc(OCCCO)cc1 ZINC000289618093 386335166 /nfs/dbraw/zinc/33/51/66/386335166.db2.gz LMCIKYDHGBLAKZ-LBPRGKRZSA-N 1 2 249.354 3.048 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)CC1(C)CCCC1 ZINC000289722082 386347948 /nfs/dbraw/zinc/34/79/48/386347948.db2.gz LZMJUCVZVISATH-UHFFFAOYSA-N 1 2 232.327 3.299 20 0 BGADLO Cc1ccc(NC(=O)C(C)(C)C2CC2)c(C)[nH+]1 ZINC000289764949 386352248 /nfs/dbraw/zinc/35/22/48/386352248.db2.gz NKQONQDMYRQBCW-UHFFFAOYSA-N 1 2 232.327 3.073 20 0 BGADLO CCC(CC)[NH2+]c1ccc(OCCCO)cc1 ZINC000289828390 168394223 /nfs/dbraw/zinc/39/42/23/168394223.db2.gz UEYJQHRXWPUEGL-UHFFFAOYSA-N 1 2 237.343 3.048 20 0 BGADLO CC1(C)C[N@@H+](Cc2cocn2)[C@@H]1c1cccs1 ZINC000289988416 352205956 /nfs/dbraw/zinc/20/59/56/352205956.db2.gz CCMZTENZQCOHTN-GFCCVEGCSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@H+](Cc2cocn2)[C@@H]1c1cccs1 ZINC000289988416 352205952 /nfs/dbraw/zinc/20/59/52/352205952.db2.gz CCMZTENZQCOHTN-GFCCVEGCSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@@H+](Cc2cocn2)[C@H]1c1cccs1 ZINC000289988418 352206123 /nfs/dbraw/zinc/20/61/23/352206123.db2.gz CCMZTENZQCOHTN-LBPRGKRZSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@H+](Cc2cocn2)[C@H]1c1cccs1 ZINC000289988418 352206117 /nfs/dbraw/zinc/20/61/17/352206117.db2.gz CCMZTENZQCOHTN-LBPRGKRZSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@@H+](Cc2cc[nH]n2)[C@@H]1c1cccs1 ZINC000289996567 352206382 /nfs/dbraw/zinc/20/63/82/352206382.db2.gz CSRRGBAINZZCFY-GFCCVEGCSA-N 1 2 247.367 3.054 20 0 BGADLO CC1(C)C[N@H+](Cc2cc[nH]n2)[C@@H]1c1cccs1 ZINC000289996567 352206378 /nfs/dbraw/zinc/20/63/78/352206378.db2.gz CSRRGBAINZZCFY-GFCCVEGCSA-N 1 2 247.367 3.054 20 0 BGADLO CC1(C)C[N@@H+](Cc2cc[nH]n2)[C@H]1c1cccs1 ZINC000289996571 352205853 /nfs/dbraw/zinc/20/58/53/352205853.db2.gz CSRRGBAINZZCFY-LBPRGKRZSA-N 1 2 247.367 3.054 20 0 BGADLO CC1(C)C[N@H+](Cc2cc[nH]n2)[C@H]1c1cccs1 ZINC000289996571 352205849 /nfs/dbraw/zinc/20/58/49/352205849.db2.gz CSRRGBAINZZCFY-LBPRGKRZSA-N 1 2 247.367 3.054 20 0 BGADLO Cc1c[nH]nc1C[NH2+][C@H](C)c1ccccc1Cl ZINC000290010886 386383610 /nfs/dbraw/zinc/38/36/10/386383610.db2.gz ULPUCGGNHGISJJ-SNVBAGLBSA-N 1 2 249.745 3.222 20 0 BGADLO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccccc1Cl ZINC000290010886 386383607 /nfs/dbraw/zinc/38/36/07/386383607.db2.gz ULPUCGGNHGISJJ-SNVBAGLBSA-N 1 2 249.745 3.222 20 0 BGADLO C[C@@H]1CCC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000290014668 176102168 /nfs/dbraw/zinc/10/21/68/176102168.db2.gz MGDVYSXOMXCJJN-MRVPVSSYSA-N 1 2 230.764 3.028 20 0 BGADLO C[C@@H]1CCC[N@H+](Cc2csc(Cl)n2)C1 ZINC000290014668 176102166 /nfs/dbraw/zinc/10/21/66/176102166.db2.gz MGDVYSXOMXCJJN-MRVPVSSYSA-N 1 2 230.764 3.028 20 0 BGADLO C[C@H]1CCC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000290014671 177101200 /nfs/dbraw/zinc/10/12/00/177101200.db2.gz MGDVYSXOMXCJJN-QMMMGPOBSA-N 1 2 230.764 3.028 20 0 BGADLO C[C@H]1CCC[N@H+](Cc2csc(Cl)n2)C1 ZINC000290014671 177101198 /nfs/dbraw/zinc/10/11/98/177101198.db2.gz MGDVYSXOMXCJJN-QMMMGPOBSA-N 1 2 230.764 3.028 20 0 BGADLO CCCC[C@@H](C)N(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000290052492 352208106 /nfs/dbraw/zinc/20/81/06/352208106.db2.gz HFMTZIRDNGWSRX-GFCCVEGCSA-N 1 2 249.358 3.432 20 0 BGADLO CCCC[C@H](C)N(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000290052493 352208119 /nfs/dbraw/zinc/20/81/19/352208119.db2.gz HFMTZIRDNGWSRX-LBPRGKRZSA-N 1 2 249.358 3.432 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C(C)(C)C1CC1 ZINC000290113649 352210324 /nfs/dbraw/zinc/21/03/24/352210324.db2.gz LHRCDAYMRZEYBH-UHFFFAOYSA-N 1 2 232.327 3.019 20 0 BGADLO C[C@@H](CF)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000290130019 386398406 /nfs/dbraw/zinc/39/84/06/386398406.db2.gz JPDQAFDHNRSUSC-CMPLNLGQSA-N 1 2 245.288 3.201 20 0 BGADLO C[C@@H](CF)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000290130025 386397570 /nfs/dbraw/zinc/39/75/70/386397570.db2.gz JPDQAFDHNRSUSC-JQWIXIFHSA-N 1 2 245.288 3.201 20 0 BGADLO C[C@H](CF)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000290130030 386398790 /nfs/dbraw/zinc/39/87/90/386398790.db2.gz JPDQAFDHNRSUSC-PWSUYJOCSA-N 1 2 245.288 3.201 20 0 BGADLO C[C@H](CF)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000290130033 386398056 /nfs/dbraw/zinc/39/80/56/386398056.db2.gz JPDQAFDHNRSUSC-ZYHUDNBSSA-N 1 2 245.288 3.201 20 0 BGADLO CC(C)[N@@H+](Cc1csc(Cl)n1)C1CC1 ZINC000290145387 188210637 /nfs/dbraw/zinc/21/06/37/188210637.db2.gz WDPLEDQSLCDQDU-UHFFFAOYSA-N 1 2 230.764 3.169 20 0 BGADLO CC(C)[N@H+](Cc1csc(Cl)n1)C1CC1 ZINC000290145387 188210636 /nfs/dbraw/zinc/21/06/36/188210636.db2.gz WDPLEDQSLCDQDU-UHFFFAOYSA-N 1 2 230.764 3.169 20 0 BGADLO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(Cl)n2)C1 ZINC000290177515 177314635 /nfs/dbraw/zinc/31/46/35/177314635.db2.gz YWJXVEUYLDDYET-DTORHVGOSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(Cl)n2)C1 ZINC000290177515 177314634 /nfs/dbraw/zinc/31/46/34/177314634.db2.gz YWJXVEUYLDDYET-DTORHVGOSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1C[C@H](C)C[NH+](Cc2csc(Cl)n2)C1 ZINC000290177518 177358936 /nfs/dbraw/zinc/35/89/36/177358936.db2.gz YWJXVEUYLDDYET-IUCAKERBSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(Cl)n2)C1 ZINC000290177519 176361511 /nfs/dbraw/zinc/36/15/11/176361511.db2.gz YWJXVEUYLDDYET-RKDXNWHRSA-N 1 2 244.791 3.274 20 0 BGADLO Cc1cccc([N@@H+](C)CC2CCC(=O)CC2)c1C ZINC000290177642 179115323 /nfs/dbraw/zinc/11/53/23/179115323.db2.gz YYGJQGKIWHFUMZ-UHFFFAOYSA-N 1 2 245.366 3.499 20 0 BGADLO Cc1cccc([N@H+](C)CC2CCC(=O)CC2)c1C ZINC000290177642 179115321 /nfs/dbraw/zinc/11/53/21/179115321.db2.gz YYGJQGKIWHFUMZ-UHFFFAOYSA-N 1 2 245.366 3.499 20 0 BGADLO CCCC[C@@H](C)N(C)C(=O)Nc1cc[nH+]cc1C ZINC000290256808 352217750 /nfs/dbraw/zinc/21/77/50/352217750.db2.gz XAFKYIDGTJDWMJ-GFCCVEGCSA-N 1 2 249.358 3.432 20 0 BGADLO CCCC[C@H](C)N(C)C(=O)Nc1cc[nH+]cc1C ZINC000290256812 352218098 /nfs/dbraw/zinc/21/80/98/352218098.db2.gz XAFKYIDGTJDWMJ-LBPRGKRZSA-N 1 2 249.358 3.432 20 0 BGADLO CC[N@H+](Cc1cc(C)c(O)c(C)c1)CC(F)F ZINC000290351548 344259807 /nfs/dbraw/zinc/25/98/07/344259807.db2.gz LYTGWWPJFCUPGG-UHFFFAOYSA-N 1 2 243.297 3.096 20 0 BGADLO CC[N@@H+](Cc1cc(C)c(O)c(C)c1)CC(F)F ZINC000290351548 344259804 /nfs/dbraw/zinc/25/98/04/344259804.db2.gz LYTGWWPJFCUPGG-UHFFFAOYSA-N 1 2 243.297 3.096 20 0 BGADLO Cn1ccc(C[N@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000290356489 386423694 /nfs/dbraw/zinc/42/36/94/386423694.db2.gz GMSKJELMHRMXCB-UHFFFAOYSA-N 1 2 246.741 3.194 20 0 BGADLO Cn1ccc(C[N@@H+]2Cc3cccc(Cl)c3C2)c1 ZINC000290356489 386423689 /nfs/dbraw/zinc/42/36/89/386423689.db2.gz GMSKJELMHRMXCB-UHFFFAOYSA-N 1 2 246.741 3.194 20 0 BGADLO CC[N@@H+](Cc1cscn1)[C@H](C)c1cccnc1 ZINC000290363485 352222198 /nfs/dbraw/zinc/22/21/98/352222198.db2.gz GZEKHUONMOEOSI-LLVKDONJSA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@H+](Cc1cscn1)[C@H](C)c1cccnc1 ZINC000290363485 352222194 /nfs/dbraw/zinc/22/21/94/352222194.db2.gz GZEKHUONMOEOSI-LLVKDONJSA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@@H+](Cc1cscn1)[C@@H](C)c1cccnc1 ZINC000290363487 352222121 /nfs/dbraw/zinc/22/21/21/352222121.db2.gz GZEKHUONMOEOSI-NSHDSACASA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@H+](Cc1cscn1)[C@@H](C)c1cccnc1 ZINC000290363487 352222120 /nfs/dbraw/zinc/22/21/20/352222120.db2.gz GZEKHUONMOEOSI-NSHDSACASA-N 1 2 247.367 3.121 20 0 BGADLO Clc1cccc2c1C[N@@H+](CC1=CCCOC1)C2 ZINC000290366260 386426036 /nfs/dbraw/zinc/42/60/36/386426036.db2.gz HDOOIOYRSZVVCL-UHFFFAOYSA-N 1 2 249.741 3.002 20 0 BGADLO Clc1cccc2c1C[N@H+](CC1=CCCOC1)C2 ZINC000290366260 386426033 /nfs/dbraw/zinc/42/60/33/386426033.db2.gz HDOOIOYRSZVVCL-UHFFFAOYSA-N 1 2 249.741 3.002 20 0 BGADLO Clc1cccc2c1C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000290368323 386426444 /nfs/dbraw/zinc/42/64/44/386426444.db2.gz HHDRBGIRCKJACU-GFCCVEGCSA-N 1 2 249.741 3.348 20 0 BGADLO Clc1cccc2c1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC000290368323 386426439 /nfs/dbraw/zinc/42/64/39/386426439.db2.gz HHDRBGIRCKJACU-GFCCVEGCSA-N 1 2 249.741 3.348 20 0 BGADLO Clc1cccc2c1C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000290368333 386426824 /nfs/dbraw/zinc/42/68/24/386426824.db2.gz HHDRBGIRCKJACU-LBPRGKRZSA-N 1 2 249.741 3.348 20 0 BGADLO Clc1cccc2c1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000290368333 386426819 /nfs/dbraw/zinc/42/68/19/386426819.db2.gz HHDRBGIRCKJACU-LBPRGKRZSA-N 1 2 249.741 3.348 20 0 BGADLO Cc1c[nH]nc1C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000290373619 386427289 /nfs/dbraw/zinc/42/72/89/386427289.db2.gz HYJBZUSWACFBGJ-LLVKDONJSA-N 1 2 245.326 3.037 20 0 BGADLO Cc1c[nH]nc1C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000290373619 386427288 /nfs/dbraw/zinc/42/72/88/386427288.db2.gz HYJBZUSWACFBGJ-LLVKDONJSA-N 1 2 245.326 3.037 20 0 BGADLO Cc1cn[nH]c1C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000290373619 386427285 /nfs/dbraw/zinc/42/72/85/386427285.db2.gz HYJBZUSWACFBGJ-LLVKDONJSA-N 1 2 245.326 3.037 20 0 BGADLO Cc1cn[nH]c1C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000290373619 386427280 /nfs/dbraw/zinc/42/72/80/386427280.db2.gz HYJBZUSWACFBGJ-LLVKDONJSA-N 1 2 245.326 3.037 20 0 BGADLO Cc1c[nH]nc1C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000290373623 386427125 /nfs/dbraw/zinc/42/71/25/386427125.db2.gz HYJBZUSWACFBGJ-NSHDSACASA-N 1 2 245.326 3.037 20 0 BGADLO Cc1c[nH]nc1C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000290373623 386427120 /nfs/dbraw/zinc/42/71/20/386427120.db2.gz HYJBZUSWACFBGJ-NSHDSACASA-N 1 2 245.326 3.037 20 0 BGADLO Cc1cn[nH]c1C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000290373623 386427113 /nfs/dbraw/zinc/42/71/13/386427113.db2.gz HYJBZUSWACFBGJ-NSHDSACASA-N 1 2 245.326 3.037 20 0 BGADLO Cc1cn[nH]c1C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000290373623 386427111 /nfs/dbraw/zinc/42/71/11/386427111.db2.gz HYJBZUSWACFBGJ-NSHDSACASA-N 1 2 245.326 3.037 20 0 BGADLO Cc1c[nH]nc1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000290375405 386424539 /nfs/dbraw/zinc/42/45/39/386424539.db2.gz IAXSQWUXUZOABP-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c[nH]nc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000290375405 386424536 /nfs/dbraw/zinc/42/45/36/386424536.db2.gz IAXSQWUXUZOABP-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cn[nH]c1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000290375405 386424530 /nfs/dbraw/zinc/42/45/30/386424530.db2.gz IAXSQWUXUZOABP-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cn[nH]c1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000290375405 386424526 /nfs/dbraw/zinc/42/45/26/386424526.db2.gz IAXSQWUXUZOABP-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cn[nH]c1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000290391396 386429553 /nfs/dbraw/zinc/42/95/53/386429553.db2.gz JLVMNYXTOZVBGR-CYBMUJFWSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000290391396 386429548 /nfs/dbraw/zinc/42/95/48/386429548.db2.gz JLVMNYXTOZVBGR-CYBMUJFWSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1cn[nH]c1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000290391400 386428873 /nfs/dbraw/zinc/42/88/73/386428873.db2.gz JLVMNYXTOZVBGR-ZDUSSCGKSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1cn[nH]c1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000290391400 386428868 /nfs/dbraw/zinc/42/88/68/386428868.db2.gz JLVMNYXTOZVBGR-ZDUSSCGKSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1c[nH]nc1C[N@H+](C)[C@H](C)c1ccccc1F ZINC000290404631 386429483 /nfs/dbraw/zinc/42/94/83/386429483.db2.gz KQXNWWXNQKDZRH-LLVKDONJSA-N 1 2 247.317 3.050 20 0 BGADLO Cc1c[nH]nc1C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000290404631 386429480 /nfs/dbraw/zinc/42/94/80/386429480.db2.gz KQXNWWXNQKDZRH-LLVKDONJSA-N 1 2 247.317 3.050 20 0 BGADLO Cc1c[nH]nc1C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000290404633 386429472 /nfs/dbraw/zinc/42/94/72/386429472.db2.gz KQXNWWXNQKDZRH-NSHDSACASA-N 1 2 247.317 3.050 20 0 BGADLO Cc1c[nH]nc1C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000290404633 386429469 /nfs/dbraw/zinc/42/94/69/386429469.db2.gz KQXNWWXNQKDZRH-NSHDSACASA-N 1 2 247.317 3.050 20 0 BGADLO Cc1cncc(NCCCc2c[nH+]ccc2C)c1 ZINC000290415385 386432945 /nfs/dbraw/zinc/43/29/45/386432945.db2.gz QMKBHPXNJWLQQX-UHFFFAOYSA-N 1 2 241.338 3.138 20 0 BGADLO Cc1c[nH]nc1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000290426460 386432921 /nfs/dbraw/zinc/43/29/21/386432921.db2.gz MSPDHYCOLUJHCR-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c[nH]nc1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000290426460 386432914 /nfs/dbraw/zinc/43/29/14/386432914.db2.gz MSPDHYCOLUJHCR-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cn[nH]c1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000290426460 386432909 /nfs/dbraw/zinc/43/29/09/386432909.db2.gz MSPDHYCOLUJHCR-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cn[nH]c1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000290426460 386432905 /nfs/dbraw/zinc/43/29/05/386432905.db2.gz MSPDHYCOLUJHCR-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO CSC1(C[NH2+]c2ccc3c(c2)CCCO3)CC1 ZINC000290429298 388367467 /nfs/dbraw/zinc/36/74/67/388367467.db2.gz RODYRRRXCHJTJF-UHFFFAOYSA-N 1 2 249.379 3.319 20 0 BGADLO Cc1ccoc1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC000290447342 386435475 /nfs/dbraw/zinc/43/54/75/386435475.db2.gz MEAMUDYAPCAFNI-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1ccoc1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC000290447342 386435472 /nfs/dbraw/zinc/43/54/72/386435472.db2.gz MEAMUDYAPCAFNI-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cn1cccc1C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000290461457 386439762 /nfs/dbraw/zinc/43/97/62/386439762.db2.gz NAVVKAVYYSUNHU-UHFFFAOYSA-N 1 2 246.741 3.194 20 0 BGADLO Cn1cccc1C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000290461457 386439757 /nfs/dbraw/zinc/43/97/57/386439757.db2.gz NAVVKAVYYSUNHU-UHFFFAOYSA-N 1 2 246.741 3.194 20 0 BGADLO Clc1nccc(C[NH+]2CCCCC2)c1Cl ZINC000290510662 386444653 /nfs/dbraw/zinc/44/46/53/386444653.db2.gz TWUOQNXZQRNIAV-UHFFFAOYSA-N 1 2 245.153 3.374 20 0 BGADLO Cc1cn[nH]c1C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000290563303 386451338 /nfs/dbraw/zinc/45/13/38/386451338.db2.gz XTHOCBFHRPQCAA-LLVKDONJSA-N 1 2 247.317 3.050 20 0 BGADLO Cc1cn[nH]c1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000290563303 386451331 /nfs/dbraw/zinc/45/13/31/386451331.db2.gz XTHOCBFHRPQCAA-LLVKDONJSA-N 1 2 247.317 3.050 20 0 BGADLO Cc1cn[nH]c1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000290563305 386453808 /nfs/dbraw/zinc/45/38/08/386453808.db2.gz XTHOCBFHRPQCAA-NSHDSACASA-N 1 2 247.317 3.050 20 0 BGADLO Cc1cn[nH]c1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000290563305 386453806 /nfs/dbraw/zinc/45/38/06/386453806.db2.gz XTHOCBFHRPQCAA-NSHDSACASA-N 1 2 247.317 3.050 20 0 BGADLO CO[C@H](C)[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000290623460 386462643 /nfs/dbraw/zinc/46/26/43/386462643.db2.gz GOUHOEGAHKLLIO-GHMZBOCLSA-N 1 2 230.311 3.070 20 0 BGADLO CO[C@@H](C)[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000290623465 386463153 /nfs/dbraw/zinc/46/31/53/386463153.db2.gz GOUHOEGAHKLLIO-MNOVXSKESA-N 1 2 230.311 3.070 20 0 BGADLO CC[C@H](CNc1ccc2ccccc2[nH+]1)OC ZINC000290740219 388370195 /nfs/dbraw/zinc/37/01/95/388370195.db2.gz RJTBIRZVPFYEBV-GFCCVEGCSA-N 1 2 230.311 3.072 20 0 BGADLO CC[C@@H](CNc1ccc2ccccc2[nH+]1)OC ZINC000290740222 388369806 /nfs/dbraw/zinc/36/98/06/388369806.db2.gz RJTBIRZVPFYEBV-LBPRGKRZSA-N 1 2 230.311 3.072 20 0 BGADLO CSC1(C[NH2+]c2ccc3c(c2)CCO3)CCC1 ZINC000290827426 386604115 /nfs/dbraw/zinc/60/41/15/386604115.db2.gz HOEZGIHSJBVOLS-UHFFFAOYSA-N 1 2 249.379 3.319 20 0 BGADLO CSC1(CNc2c[nH+]cc(C)c2)CCC1 ZINC000290863999 384883224 /nfs/dbraw/zinc/88/32/24/384883224.db2.gz KTDQUXGHOGBPPZ-UHFFFAOYSA-N 1 2 222.357 3.088 20 0 BGADLO Cn1cc[nH+]c1CNc1cccc(C2CCC2)c1 ZINC000290872798 180748773 /nfs/dbraw/zinc/74/87/73/180748773.db2.gz BCICKKHRLZHXMU-UHFFFAOYSA-N 1 2 241.338 3.300 20 0 BGADLO Cn1c[nH+]cc1CNc1cccc(C2CCC2)c1 ZINC000290888171 386484223 /nfs/dbraw/zinc/48/42/23/386484223.db2.gz CPPGXJGWQGCWSB-UHFFFAOYSA-N 1 2 241.338 3.300 20 0 BGADLO CSC1(CNc2ccc(C)[nH+]c2)CCC1 ZINC000290904295 384945711 /nfs/dbraw/zinc/94/57/11/384945711.db2.gz OGWOGRNKXWNVCH-UHFFFAOYSA-N 1 2 222.357 3.088 20 0 BGADLO c1c[nH+]c(CNc2cccc(C3CCC3)c2)[nH]1 ZINC000291154503 183358752 /nfs/dbraw/zinc/35/87/52/183358752.db2.gz BRKFYTTVUPUGOY-UHFFFAOYSA-N 1 2 227.311 3.289 20 0 BGADLO CCN(CC(C)(C)C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000291242044 386526855 /nfs/dbraw/zinc/52/68/55/386526855.db2.gz FQIAXGZHPFILJV-UHFFFAOYSA-N 1 2 249.358 3.290 20 0 BGADLO Cc1[nH+]cn(-c2ccc(NCC3CC3)cc2)c1C ZINC000291343476 180284603 /nfs/dbraw/zinc/28/46/03/180284603.db2.gz WGBSNFMHQRRXOF-UHFFFAOYSA-N 1 2 241.338 3.311 20 0 BGADLO CCN(CC(C)(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000291344310 386536040 /nfs/dbraw/zinc/53/60/40/386536040.db2.gz PAFQTCVTQCUXDO-UHFFFAOYSA-N 1 2 249.358 3.290 20 0 BGADLO Cc1[nH+]cn(-c2ccc(NC(C)C)cc2)c1C ZINC000291375004 180284635 /nfs/dbraw/zinc/28/46/35/180284635.db2.gz ZQRVSTHFLDBPFD-UHFFFAOYSA-N 1 2 229.327 3.309 20 0 BGADLO CCCc1nc(C)c(C[NH2+]Cc2ccc(C)o2)o1 ZINC000291640084 386562978 /nfs/dbraw/zinc/56/29/78/386562978.db2.gz BLUMTCNLFXIMDL-UHFFFAOYSA-N 1 2 248.326 3.127 20 0 BGADLO Cc1ccoc1CNc1cc(C)[nH+]c(C2CC2)n1 ZINC000291642941 178176537 /nfs/dbraw/zinc/17/65/37/178176537.db2.gz BGWAORDEXYSMMV-UHFFFAOYSA-N 1 2 243.310 3.176 20 0 BGADLO CC(C)O[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000291653781 167281598 /nfs/dbraw/zinc/28/15/98/167281598.db2.gz OAQZIVHMEBYWLY-AWEZNQCLSA-N 1 2 230.311 3.049 20 0 BGADLO CC(C)O[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000291653782 167282380 /nfs/dbraw/zinc/28/23/80/167282380.db2.gz OAQZIVHMEBYWLY-CQSZACIVSA-N 1 2 230.311 3.049 20 0 BGADLO FC1(F)CC(CNc2cc[nH+]c3ccncc23)C1 ZINC000291860132 386592636 /nfs/dbraw/zinc/59/26/36/386592636.db2.gz MXOMPJLDRSMYHY-UHFFFAOYSA-N 1 2 249.264 3.087 20 0 BGADLO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(C)o2)o1 ZINC000291998443 358950525 /nfs/dbraw/zinc/95/05/25/358950525.db2.gz XLLXZXUNGDEJJH-JTQLQIEISA-N 1 2 248.326 3.298 20 0 BGADLO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(C)o2)o1 ZINC000291998445 358950584 /nfs/dbraw/zinc/95/05/84/358950584.db2.gz XLLXZXUNGDEJJH-SNVBAGLBSA-N 1 2 248.326 3.298 20 0 BGADLO Cc1cnc(C[NH2+]C(C)(C)c2ccccc2F)o1 ZINC000292043824 386613431 /nfs/dbraw/zinc/61/34/31/386613431.db2.gz AUMKQZIHKDFQPH-UHFFFAOYSA-N 1 2 248.301 3.147 20 0 BGADLO CCc1noc(C)c1C[N@@H+](C)Cc1occc1C ZINC000292050144 172075319 /nfs/dbraw/zinc/07/53/19/172075319.db2.gz AWBOUPQWZHZXMK-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1noc(C)c1C[N@H+](C)Cc1occc1C ZINC000292050144 172075316 /nfs/dbraw/zinc/07/53/16/172075316.db2.gz AWBOUPQWZHZXMK-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO Cc1cc(C[NH2+]C(C)(C)c2ccccc2F)on1 ZINC000292117889 178017433 /nfs/dbraw/zinc/01/74/33/178017433.db2.gz JTTSSUXPJJTLQB-UHFFFAOYSA-N 1 2 248.301 3.147 20 0 BGADLO Cc1cc(C[NH2+]C(C)(C)c2ccccc2F)no1 ZINC000292195795 178017487 /nfs/dbraw/zinc/01/74/87/178017487.db2.gz RUELATDNTRAKOJ-UHFFFAOYSA-N 1 2 248.301 3.147 20 0 BGADLO FC(F)(F)CCCCOc1cc[nH+]cc1 ZINC000292372759 386659349 /nfs/dbraw/zinc/65/93/49/386659349.db2.gz GGVHFSWPSPGCRL-UHFFFAOYSA-N 1 2 219.206 3.193 20 0 BGADLO CC[C@@H]1CC[N@H+]1Cc1csc(C2CC2)n1 ZINC000292375099 171024349 /nfs/dbraw/zinc/02/43/49/171024349.db2.gz JDTZAGMLWQHWNL-LLVKDONJSA-N 1 2 222.357 3.005 20 0 BGADLO CC[C@@H]1CC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000292375099 171024348 /nfs/dbraw/zinc/02/43/48/171024348.db2.gz JDTZAGMLWQHWNL-LLVKDONJSA-N 1 2 222.357 3.005 20 0 BGADLO CC[C@H]1CC[N@H+]1Cc1csc(C2CC2)n1 ZINC000292375105 386660133 /nfs/dbraw/zinc/66/01/33/386660133.db2.gz JDTZAGMLWQHWNL-NSHDSACASA-N 1 2 222.357 3.005 20 0 BGADLO CC[C@H]1CC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000292375105 386660128 /nfs/dbraw/zinc/66/01/28/386660128.db2.gz JDTZAGMLWQHWNL-NSHDSACASA-N 1 2 222.357 3.005 20 0 BGADLO c1cc(OCCCCC2CCOCC2)cc[nH+]1 ZINC000292458154 183358679 /nfs/dbraw/zinc/35/86/79/183358679.db2.gz ONYNDUIIYMMSET-UHFFFAOYSA-N 1 2 235.327 3.057 20 0 BGADLO CCC(CC)n1ccc(COc2cc[nH+]cc2)n1 ZINC000292510265 386681462 /nfs/dbraw/zinc/68/14/62/386681462.db2.gz UDEYNRCDVQBRHQ-UHFFFAOYSA-N 1 2 245.326 3.218 20 0 BGADLO COCCSCc1ccc(C(C)C)[nH+]c1C ZINC000292534106 174376581 /nfs/dbraw/zinc/37/65/81/174376581.db2.gz AMFPWHSDDALAEX-UHFFFAOYSA-N 1 2 239.384 3.393 20 0 BGADLO CCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292561635 566465846 /nfs/dbraw/zinc/46/58/46/566465846.db2.gz BAEJNCOLYCRVRR-LLVKDONJSA-N 1 2 213.271 3.383 20 0 BGADLO CCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292561638 566465831 /nfs/dbraw/zinc/46/58/31/566465831.db2.gz BAEJNCOLYCRVRR-NSHDSACASA-N 1 2 213.271 3.383 20 0 BGADLO CCc1nc(C(C)C)ccc1Cn1cc[nH+]c1 ZINC000292567788 398105084 /nfs/dbraw/zinc/10/50/84/398105084.db2.gz DQIDBGJBJGOQGX-UHFFFAOYSA-N 1 2 229.327 3.012 20 0 BGADLO COCCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292656422 174203441 /nfs/dbraw/zinc/20/34/41/174203441.db2.gz IGSVBCNJVUBXDD-GFCCVEGCSA-N 1 2 243.297 3.009 20 0 BGADLO COCCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292656429 174202708 /nfs/dbraw/zinc/20/27/08/174202708.db2.gz IGSVBCNJVUBXDD-LBPRGKRZSA-N 1 2 243.297 3.009 20 0 BGADLO FC[C@H]1CCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000292659534 384781011 /nfs/dbraw/zinc/78/10/11/384781011.db2.gz CGRVWBXYGRWAMH-SECBINFHSA-N 1 2 248.223 3.039 20 0 BGADLO FC[C@@H]1CCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000292659540 384250153 /nfs/dbraw/zinc/25/01/53/384250153.db2.gz CGRVWBXYGRWAMH-VIFPVBQESA-N 1 2 248.223 3.039 20 0 BGADLO CC[C@@H]1CC[N@H+]1Cc1ccc(Br)o1 ZINC000292697940 171024429 /nfs/dbraw/zinc/02/44/29/171024429.db2.gz CCJTZPHLZYQSDJ-MRVPVSSYSA-N 1 2 244.132 3.026 20 0 BGADLO CC[C@@H]1CC[N@@H+]1Cc1ccc(Br)o1 ZINC000292697940 171024425 /nfs/dbraw/zinc/02/44/25/171024425.db2.gz CCJTZPHLZYQSDJ-MRVPVSSYSA-N 1 2 244.132 3.026 20 0 BGADLO CC[C@H]1CC[N@H+]1Cc1ccc(Br)o1 ZINC000292697941 386641734 /nfs/dbraw/zinc/64/17/34/386641734.db2.gz CCJTZPHLZYQSDJ-QMMMGPOBSA-N 1 2 244.132 3.026 20 0 BGADLO CC[C@H]1CC[N@@H+]1Cc1ccc(Br)o1 ZINC000292697941 386641729 /nfs/dbraw/zinc/64/17/29/386641729.db2.gz CCJTZPHLZYQSDJ-QMMMGPOBSA-N 1 2 244.132 3.026 20 0 BGADLO CC(C)CSCCCOc1cc[nH+]cc1 ZINC000292712720 398108423 /nfs/dbraw/zinc/10/84/23/398108423.db2.gz KYJBYCZHHOANHL-UHFFFAOYSA-N 1 2 225.357 3.240 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1CS[C@@H](C)CO ZINC000292779451 386725888 /nfs/dbraw/zinc/72/58/88/386725888.db2.gz YFVXHRVYAMSCBO-JTQLQIEISA-N 1 2 239.384 3.127 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1CS[C@H](C)CO ZINC000292779454 386725587 /nfs/dbraw/zinc/72/55/87/386725587.db2.gz YFVXHRVYAMSCBO-SNVBAGLBSA-N 1 2 239.384 3.127 20 0 BGADLO Cc1nc(NC[C@@H]2C[C@H]2c2ccccc2)cc[nH+]1 ZINC000292782288 180201396 /nfs/dbraw/zinc/20/13/96/180201396.db2.gz LVLVRWSSPJMYRK-KBPBESRZSA-N 1 2 239.322 3.001 20 0 BGADLO FCCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000292818202 387177613 /nfs/dbraw/zinc/17/76/13/387177613.db2.gz SMBMXVXTWYKJAI-LLVKDONJSA-N 1 2 231.261 3.332 20 0 BGADLO FCCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292818204 387177042 /nfs/dbraw/zinc/17/70/42/387177042.db2.gz SMBMXVXTWYKJAI-NSHDSACASA-N 1 2 231.261 3.332 20 0 BGADLO CC[C@@H]1CC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000292835599 171025528 /nfs/dbraw/zinc/02/55/28/171025528.db2.gz RRBVJRVTWBVOTL-SECBINFHSA-N 1 2 229.245 3.088 20 0 BGADLO CC[C@@H]1CC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000292835599 171025525 /nfs/dbraw/zinc/02/55/25/171025525.db2.gz RRBVJRVTWBVOTL-SECBINFHSA-N 1 2 229.245 3.088 20 0 BGADLO CC[C@H]1CC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000292835607 386732070 /nfs/dbraw/zinc/73/20/70/386732070.db2.gz RRBVJRVTWBVOTL-VIFPVBQESA-N 1 2 229.245 3.088 20 0 BGADLO CC[C@H]1CC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000292835607 386732060 /nfs/dbraw/zinc/73/20/60/386732060.db2.gz RRBVJRVTWBVOTL-VIFPVBQESA-N 1 2 229.245 3.088 20 0 BGADLO FC(F)[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000292842185 387201510 /nfs/dbraw/zinc/20/15/10/387201510.db2.gz UYOYQMFUNVZGRW-GFCCVEGCSA-N 1 2 225.282 3.383 20 0 BGADLO FC(F)[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000292842187 387201677 /nfs/dbraw/zinc/20/16/77/387201677.db2.gz UYOYQMFUNVZGRW-LBPRGKRZSA-N 1 2 225.282 3.383 20 0 BGADLO c1ccc(COCCCOc2cc[nH+]cc2)cc1 ZINC000292848132 386737020 /nfs/dbraw/zinc/73/70/20/386737020.db2.gz VWQJEKNNLCHCKP-UHFFFAOYSA-N 1 2 243.306 3.067 20 0 BGADLO c1ccc([C@@H]2C[C@H]2CNc2cccc[nH+]2)cc1 ZINC000292873554 386740354 /nfs/dbraw/zinc/74/03/54/386740354.db2.gz TZUXKWANLCVMSD-KBPBESRZSA-N 1 2 224.307 3.297 20 0 BGADLO CC[C@@H]1CC[N@H+]1Cc1ccnc(Cl)c1Cl ZINC000292874181 171025708 /nfs/dbraw/zinc/02/57/08/171025708.db2.gz WTYUDNQPFZPCSB-SECBINFHSA-N 1 2 245.153 3.373 20 0 BGADLO CC[C@@H]1CC[N@@H+]1Cc1ccnc(Cl)c1Cl ZINC000292874181 171025707 /nfs/dbraw/zinc/02/57/07/171025707.db2.gz WTYUDNQPFZPCSB-SECBINFHSA-N 1 2 245.153 3.373 20 0 BGADLO CC[C@H]1CC[N@H+]1Cc1ccnc(Cl)c1Cl ZINC000292874184 386740022 /nfs/dbraw/zinc/74/00/22/386740022.db2.gz WTYUDNQPFZPCSB-VIFPVBQESA-N 1 2 245.153 3.373 20 0 BGADLO CC[C@H]1CC[N@@H+]1Cc1ccnc(Cl)c1Cl ZINC000292874184 386740016 /nfs/dbraw/zinc/74/00/16/386740016.db2.gz WTYUDNQPFZPCSB-VIFPVBQESA-N 1 2 245.153 3.373 20 0 BGADLO CC(C)C[NH2+][C@H](c1ccccc1)C(F)F ZINC000292890624 167013120 /nfs/dbraw/zinc/01/31/20/167013120.db2.gz YTJLSYSKDAQPKO-LLVKDONJSA-N 1 2 213.271 3.238 20 0 BGADLO CC(C)C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000292890627 167011778 /nfs/dbraw/zinc/01/17/78/167011778.db2.gz YTJLSYSKDAQPKO-NSHDSACASA-N 1 2 213.271 3.238 20 0 BGADLO CC[C@@H]1CC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000292892454 171025777 /nfs/dbraw/zinc/02/57/77/171025777.db2.gz ZEUXSAVAVWOUST-SECBINFHSA-N 1 2 229.245 3.088 20 0 BGADLO CC[C@@H]1CC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000292892454 171025775 /nfs/dbraw/zinc/02/57/75/171025775.db2.gz ZEUXSAVAVWOUST-SECBINFHSA-N 1 2 229.245 3.088 20 0 BGADLO CC[C@H]1CC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000292892457 386745789 /nfs/dbraw/zinc/74/57/89/386745789.db2.gz ZEUXSAVAVWOUST-VIFPVBQESA-N 1 2 229.245 3.088 20 0 BGADLO CC[C@H]1CC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000292892457 386745782 /nfs/dbraw/zinc/74/57/82/386745782.db2.gz ZEUXSAVAVWOUST-VIFPVBQESA-N 1 2 229.245 3.088 20 0 BGADLO CO[C@@H](CNc1ccc2ccccc2[nH+]1)C1CC1 ZINC000292913295 387287411 /nfs/dbraw/zinc/28/74/11/387287411.db2.gz XSHAOOPGRWJEMB-AWEZNQCLSA-N 1 2 242.322 3.072 20 0 BGADLO CO[C@H](CNc1ccc2ccccc2[nH+]1)C1CC1 ZINC000292913298 387288120 /nfs/dbraw/zinc/28/81/20/387288120.db2.gz XSHAOOPGRWJEMB-CQSZACIVSA-N 1 2 242.322 3.072 20 0 BGADLO Cc1ccc(Cl)cc1N(C)Cc1c[nH+]cn1C ZINC000292943668 386755367 /nfs/dbraw/zinc/75/53/67/386755367.db2.gz DKRPMZSERPRAJT-UHFFFAOYSA-N 1 2 249.745 3.018 20 0 BGADLO Cc1[nH]ncc1C[NH2+]C(C)(C)c1ccccc1C ZINC000292946501 179255122 /nfs/dbraw/zinc/25/51/22/179255122.db2.gz IIFGTWRCHIUYLN-UHFFFAOYSA-N 1 2 243.354 3.051 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000293140922 398112755 /nfs/dbraw/zinc/11/27/55/398112755.db2.gz SWWXZVVRNJPCHQ-MRVPVSSYSA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000293140922 398112752 /nfs/dbraw/zinc/11/27/52/398112752.db2.gz SWWXZVVRNJPCHQ-MRVPVSSYSA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)s1 ZINC000293140924 398112803 /nfs/dbraw/zinc/11/28/03/398112803.db2.gz SWWXZVVRNJPCHQ-QMMMGPOBSA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)s1 ZINC000293140924 398112801 /nfs/dbraw/zinc/11/28/01/398112801.db2.gz SWWXZVVRNJPCHQ-QMMMGPOBSA-N 1 2 233.739 3.335 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2coc(-c3cccs3)n2)[C@@H]1C ZINC000293191722 176310914 /nfs/dbraw/zinc/31/09/14/176310914.db2.gz XFQKGACLJLLPCX-NXEZZACHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@H+](Cc2coc(-c3cccs3)n2)[C@@H]1C ZINC000293191722 176310913 /nfs/dbraw/zinc/31/09/13/176310913.db2.gz XFQKGACLJLLPCX-NXEZZACHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@H]1C[N@@H+](Cc2coc(-c3cccs3)n2)[C@H]1C ZINC000293191727 177269475 /nfs/dbraw/zinc/26/94/75/177269475.db2.gz XFQKGACLJLLPCX-UWVGGRQHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@H]1C[N@H+](Cc2coc(-c3cccs3)n2)[C@H]1C ZINC000293191727 177269474 /nfs/dbraw/zinc/26/94/74/177269474.db2.gz XFQKGACLJLLPCX-UWVGGRQHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000293191734 177269839 /nfs/dbraw/zinc/26/98/39/177269839.db2.gz XFQKGACLJLLPCX-VHSXEESVSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000293191734 177269837 /nfs/dbraw/zinc/26/98/37/177269837.db2.gz XFQKGACLJLLPCX-VHSXEESVSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2coc(-c3cccs3)n2)[C@H]1C ZINC000293191741 398114065 /nfs/dbraw/zinc/11/40/65/398114065.db2.gz XFQKGACLJLLPCX-ZJUUUORDSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@H+](Cc2coc(-c3cccs3)n2)[C@H]1C ZINC000293191741 398114062 /nfs/dbraw/zinc/11/40/62/398114062.db2.gz XFQKGACLJLLPCX-ZJUUUORDSA-N 1 2 248.351 3.243 20 0 BGADLO Cc1sccc1CNc1c[nH+]cc(C)c1 ZINC000293199974 386755432 /nfs/dbraw/zinc/75/54/32/386755432.db2.gz INWBGXVAPAQUEF-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO COc1cc[nH+]cc1NCc1ccsc1C ZINC000293208020 175375987 /nfs/dbraw/zinc/37/59/87/175375987.db2.gz JEDXKZNZVJNDFJ-UHFFFAOYSA-N 1 2 234.324 3.072 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1sccc1Cl ZINC000293224511 386791016 /nfs/dbraw/zinc/79/10/16/386791016.db2.gz YCYFHNWGVPNYTQ-MRVPVSSYSA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1sccc1Cl ZINC000293224511 386791014 /nfs/dbraw/zinc/79/10/14/386791014.db2.gz YCYFHNWGVPNYTQ-MRVPVSSYSA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1sccc1Cl ZINC000293224513 386790896 /nfs/dbraw/zinc/79/08/96/386790896.db2.gz YCYFHNWGVPNYTQ-QMMMGPOBSA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1sccc1Cl ZINC000293224513 386790892 /nfs/dbraw/zinc/79/08/92/386790892.db2.gz YCYFHNWGVPNYTQ-QMMMGPOBSA-N 1 2 233.739 3.335 20 0 BGADLO Cc1ccc(Cl)cc1N(C)Cc1[nH+]ccn1C ZINC000293241537 386792352 /nfs/dbraw/zinc/79/23/52/386792352.db2.gz YZFNVOHTGBZAQU-UHFFFAOYSA-N 1 2 249.745 3.018 20 0 BGADLO Cc1sccc1CNc1c[nH+]ccc1C ZINC000293284683 411394156 /nfs/dbraw/zinc/39/41/56/411394156.db2.gz OISNOVHDJULGBD-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2nc(Cl)ccc2Cl)[C@@H]1C ZINC000293297532 176312515 /nfs/dbraw/zinc/31/25/15/176312515.db2.gz DQEHARSWZMTUJZ-HTQZYQBOSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@H+](Cc2nc(Cl)ccc2Cl)[C@@H]1C ZINC000293297532 176312513 /nfs/dbraw/zinc/31/25/13/176312513.db2.gz DQEHARSWZMTUJZ-HTQZYQBOSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1nc(Cl)ccc1Cl ZINC000293297535 177270658 /nfs/dbraw/zinc/27/06/58/177270658.db2.gz DQEHARSWZMTUJZ-JGVFFNPUSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1nc(Cl)ccc1Cl ZINC000293297535 177270656 /nfs/dbraw/zinc/27/06/56/177270656.db2.gz DQEHARSWZMTUJZ-JGVFFNPUSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2nc(Cl)ccc2Cl)[C@H]1C ZINC000293297537 386798859 /nfs/dbraw/zinc/79/88/59/386798859.db2.gz DQEHARSWZMTUJZ-SFYZADRCSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@H+](Cc2nc(Cl)ccc2Cl)[C@H]1C ZINC000293297537 386798858 /nfs/dbraw/zinc/79/88/58/386798858.db2.gz DQEHARSWZMTUJZ-SFYZADRCSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@H]1C[N@@H+](Cc2nc(Cl)ccc2Cl)[C@H]1C ZINC000293297539 177271002 /nfs/dbraw/zinc/27/10/02/177271002.db2.gz DQEHARSWZMTUJZ-YUMQZZPRSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@H]1C[N@H+](Cc2nc(Cl)ccc2Cl)[C@H]1C ZINC000293297539 177271001 /nfs/dbraw/zinc/27/10/01/177271001.db2.gz DQEHARSWZMTUJZ-YUMQZZPRSA-N 1 2 245.153 3.229 20 0 BGADLO CCc1nocc1C[N@@H+](C)Cc1ccccc1F ZINC000293315015 172094946 /nfs/dbraw/zinc/09/49/46/172094946.db2.gz FPWLDCJVUBQYHV-UHFFFAOYSA-N 1 2 248.301 3.008 20 0 BGADLO CCc1nocc1C[N@H+](C)Cc1ccccc1F ZINC000293315015 172094943 /nfs/dbraw/zinc/09/49/43/172094943.db2.gz FPWLDCJVUBQYHV-UHFFFAOYSA-N 1 2 248.301 3.008 20 0 BGADLO Cc1sccc1CNc1ccc[nH+]c1C ZINC000293337001 180226166 /nfs/dbraw/zinc/22/61/66/180226166.db2.gz SASVVHJVQXYTCE-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1sccc1CNc1ccc(C)[nH+]c1 ZINC000293339239 386816288 /nfs/dbraw/zinc/81/62/88/386816288.db2.gz SDJMZTPRVCGNTQ-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1COC(=O)C(C)C ZINC000293346427 386805494 /nfs/dbraw/zinc/80/54/94/386805494.db2.gz HMCLDMCVYGIZFX-UHFFFAOYSA-N 1 2 235.327 3.213 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2Cl)[C@@H]1C ZINC000293355331 176302612 /nfs/dbraw/zinc/30/26/12/176302612.db2.gz ICTXAXUENURDCW-HTQZYQBOSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)nc2Cl)[C@@H]1C ZINC000293355331 176302610 /nfs/dbraw/zinc/30/26/10/176302610.db2.gz ICTXAXUENURDCW-HTQZYQBOSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(Cl)nc1Cl ZINC000293355335 177261986 /nfs/dbraw/zinc/26/19/86/177261986.db2.gz ICTXAXUENURDCW-JGVFFNPUSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(Cl)nc1Cl ZINC000293355335 177261984 /nfs/dbraw/zinc/26/19/84/177261984.db2.gz ICTXAXUENURDCW-JGVFFNPUSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2Cl)[C@H]1C ZINC000293355338 386806418 /nfs/dbraw/zinc/80/64/18/386806418.db2.gz ICTXAXUENURDCW-SFYZADRCSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)nc2Cl)[C@H]1C ZINC000293355338 386806409 /nfs/dbraw/zinc/80/64/09/386806409.db2.gz ICTXAXUENURDCW-SFYZADRCSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)nc2Cl)[C@H]1C ZINC000293357367 177262050 /nfs/dbraw/zinc/26/20/50/177262050.db2.gz ICTXAXUENURDCW-YUMQZZPRSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@H]1C[N@H+](Cc2ccc(Cl)nc2Cl)[C@H]1C ZINC000293357367 177262048 /nfs/dbraw/zinc/26/20/48/177262048.db2.gz ICTXAXUENURDCW-YUMQZZPRSA-N 1 2 245.153 3.229 20 0 BGADLO Cc1sccc1CNc1ccc(N(C)C)c[nH+]1 ZINC000293361638 386810753 /nfs/dbraw/zinc/81/07/53/386810753.db2.gz UQQNHOBEIDFHHK-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1COC(=O)CC1CC1 ZINC000293395823 386812259 /nfs/dbraw/zinc/81/22/59/386812259.db2.gz LBYVDIPPKFIZJQ-UHFFFAOYSA-N 1 2 247.338 3.357 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)CC(C)(C)C1CC1 ZINC000293471093 386821284 /nfs/dbraw/zinc/82/12/84/386821284.db2.gz RNUQOGUGKCIGIY-UHFFFAOYSA-N 1 2 232.327 3.155 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2csc(-c3ccco3)n2)[C@@H]1C ZINC000293499436 176310679 /nfs/dbraw/zinc/31/06/79/176310679.db2.gz UFQVVDDSKIBGSB-NXEZZACHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@H+](Cc2csc(-c3ccco3)n2)[C@@H]1C ZINC000293499436 176310677 /nfs/dbraw/zinc/31/06/77/176310677.db2.gz UFQVVDDSKIBGSB-NXEZZACHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@H]1C[N@@H+](Cc2csc(-c3ccco3)n2)[C@H]1C ZINC000293499439 177270425 /nfs/dbraw/zinc/27/04/25/177270425.db2.gz UFQVVDDSKIBGSB-UWVGGRQHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@H]1C[N@H+](Cc2csc(-c3ccco3)n2)[C@H]1C ZINC000293499439 177270423 /nfs/dbraw/zinc/27/04/23/177270423.db2.gz UFQVVDDSKIBGSB-UWVGGRQHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000293499441 177270126 /nfs/dbraw/zinc/27/01/26/177270126.db2.gz UFQVVDDSKIBGSB-VHSXEESVSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000293499441 177270125 /nfs/dbraw/zinc/27/01/25/177270125.db2.gz UFQVVDDSKIBGSB-VHSXEESVSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2csc(-c3ccco3)n2)[C@H]1C ZINC000293499444 386825146 /nfs/dbraw/zinc/82/51/46/386825146.db2.gz UFQVVDDSKIBGSB-ZJUUUORDSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@H+](Cc2csc(-c3ccco3)n2)[C@H]1C ZINC000293499444 386825138 /nfs/dbraw/zinc/82/51/38/386825138.db2.gz UFQVVDDSKIBGSB-ZJUUUORDSA-N 1 2 248.351 3.243 20 0 BGADLO CCCC(=O)OCc1ccc(C(C)C)[nH+]c1C ZINC000293508868 168570192 /nfs/dbraw/zinc/57/01/92/168570192.db2.gz UZHSANZJUAVKKR-UHFFFAOYSA-N 1 2 235.327 3.357 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cc(-c3cccs3)on2)[C@@H]1C ZINC000293512802 176302072 /nfs/dbraw/zinc/30/20/72/176302072.db2.gz VILWCEYCJFISGM-NXEZZACHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)[C@@H]1C ZINC000293512802 176302070 /nfs/dbraw/zinc/30/20/70/176302070.db2.gz VILWCEYCJFISGM-NXEZZACHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@H]1C[N@@H+](Cc2cc(-c3cccs3)on2)[C@H]1C ZINC000293512808 177260090 /nfs/dbraw/zinc/26/00/90/177260090.db2.gz VILWCEYCJFISGM-UWVGGRQHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@H]1C[N@H+](Cc2cc(-c3cccs3)on2)[C@H]1C ZINC000293512808 177260088 /nfs/dbraw/zinc/26/00/88/177260088.db2.gz VILWCEYCJFISGM-UWVGGRQHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(-c2cccs2)on1 ZINC000293512813 177261174 /nfs/dbraw/zinc/26/11/74/177261174.db2.gz VILWCEYCJFISGM-VHSXEESVSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(-c2cccs2)on1 ZINC000293512813 177261172 /nfs/dbraw/zinc/26/11/72/177261172.db2.gz VILWCEYCJFISGM-VHSXEESVSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cc(-c3cccs3)on2)[C@H]1C ZINC000293512818 386830278 /nfs/dbraw/zinc/83/02/78/386830278.db2.gz VILWCEYCJFISGM-ZJUUUORDSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)[C@H]1C ZINC000293512818 386830273 /nfs/dbraw/zinc/83/02/73/386830273.db2.gz VILWCEYCJFISGM-ZJUUUORDSA-N 1 2 248.351 3.243 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1COC(=O)C1CCC1 ZINC000293546428 386837351 /nfs/dbraw/zinc/83/73/51/386837351.db2.gz YOMOCKPCGSXRQG-UHFFFAOYSA-N 1 2 247.338 3.357 20 0 BGADLO Cc1ccc(F)cc1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000293582481 385658974 /nfs/dbraw/zinc/65/89/74/385658974.db2.gz ATAYLAIHDXNXSE-GWCFXTLKSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(F)cc1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000293582484 385658754 /nfs/dbraw/zinc/65/87/54/385658754.db2.gz ATAYLAIHDXNXSE-GXFFZTMASA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(F)cc1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000293582487 385656987 /nfs/dbraw/zinc/65/69/87/385656987.db2.gz ATAYLAIHDXNXSE-MFKMUULPSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(F)cc1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000293582489 385657147 /nfs/dbraw/zinc/65/71/47/385657147.db2.gz ATAYLAIHDXNXSE-ZWNOBZJWSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cc(Cl)ccc1N[C@@H]1CCn2cc[nH+]c21 ZINC000293584516 178069350 /nfs/dbraw/zinc/06/93/50/178069350.db2.gz AYODTZCVGHFQFY-GFCCVEGCSA-N 1 2 247.729 3.402 20 0 BGADLO Cc1cc(Cl)ccc1N[C@H]1CCn2cc[nH+]c21 ZINC000293584519 178068730 /nfs/dbraw/zinc/06/87/30/178068730.db2.gz AYODTZCVGHFQFY-LBPRGKRZSA-N 1 2 247.729 3.402 20 0 BGADLO Cc1sccc1CNc1ccc(N(C)C)[nH+]c1 ZINC000293684691 388357946 /nfs/dbraw/zinc/35/79/46/388357946.db2.gz VXRXMEMECLZGSA-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO CCCc1nc(C)c(C[NH2+][C@@H](C)c2ccco2)o1 ZINC000293734389 386869792 /nfs/dbraw/zinc/86/97/92/386869792.db2.gz QIGHYZCQBBCGPE-JTQLQIEISA-N 1 2 248.326 3.379 20 0 BGADLO CCCc1nc(C)c(C[NH2+][C@H](C)c2ccco2)o1 ZINC000293734394 386869264 /nfs/dbraw/zinc/86/92/64/386869264.db2.gz QIGHYZCQBBCGPE-SNVBAGLBSA-N 1 2 248.326 3.379 20 0 BGADLO CCc1ccc(C[N@@H+](C)Cc2conc2CC)o1 ZINC000293750798 386872290 /nfs/dbraw/zinc/87/22/90/386872290.db2.gz WUHCTNVBFOGJQN-UHFFFAOYSA-N 1 2 248.326 3.024 20 0 BGADLO CCc1ccc(C[N@H+](C)Cc2conc2CC)o1 ZINC000293750798 386872280 /nfs/dbraw/zinc/87/22/80/386872280.db2.gz WUHCTNVBFOGJQN-UHFFFAOYSA-N 1 2 248.326 3.024 20 0 BGADLO Cc1sccc1C[N@H+]1CCC=C(F)C1 ZINC000293754352 386871665 /nfs/dbraw/zinc/87/16/65/386871665.db2.gz YJMGGLBQAYWHQD-UHFFFAOYSA-N 1 2 211.305 3.116 20 0 BGADLO Cc1sccc1C[N@@H+]1CCC=C(F)C1 ZINC000293754352 386871660 /nfs/dbraw/zinc/87/16/60/386871660.db2.gz YJMGGLBQAYWHQD-UHFFFAOYSA-N 1 2 211.305 3.116 20 0 BGADLO Cc1ccc(N[C@@H]2CCn3cc[nH+]c32)c(C)c1 ZINC000293832057 388391952 /nfs/dbraw/zinc/39/19/52/388391952.db2.gz BLISSPBADJEOKC-CYBMUJFWSA-N 1 2 227.311 3.057 20 0 BGADLO Cc1ccc(N[C@H]2CCn3cc[nH+]c32)c(C)c1 ZINC000293832059 178778984 /nfs/dbraw/zinc/77/89/84/178778984.db2.gz BLISSPBADJEOKC-ZDUSSCGKSA-N 1 2 227.311 3.057 20 0 BGADLO Cc1ccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c(F)c1 ZINC000293842507 383884825 /nfs/dbraw/zinc/88/48/25/383884825.db2.gz CDXHLIRIJCWLIM-GWCFXTLKSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c(F)c1 ZINC000293842510 383886698 /nfs/dbraw/zinc/88/66/98/383886698.db2.gz CDXHLIRIJCWLIM-GXFFZTMASA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c(F)c1 ZINC000293842514 383885109 /nfs/dbraw/zinc/88/51/09/383885109.db2.gz CDXHLIRIJCWLIM-MFKMUULPSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c(F)c1 ZINC000293842517 383888384 /nfs/dbraw/zinc/88/83/84/383888384.db2.gz CDXHLIRIJCWLIM-ZWNOBZJWSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(Cl)c(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000293848976 398205096 /nfs/dbraw/zinc/20/50/96/398205096.db2.gz CNDRKSAZUSAFMP-LLVKDONJSA-N 1 2 247.729 3.402 20 0 BGADLO Cc1ccc(Cl)c(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000293848982 398204932 /nfs/dbraw/zinc/20/49/32/398204932.db2.gz CNDRKSAZUSAFMP-NSHDSACASA-N 1 2 247.729 3.402 20 0 BGADLO Cc1cc(NC(=O)CC(C)(C)C2CC2)cc[nH+]1 ZINC000293889274 178126880 /nfs/dbraw/zinc/12/68/80/178126880.db2.gz VUIOEHWYDWUVER-UHFFFAOYSA-N 1 2 232.327 3.155 20 0 BGADLO Cc1cccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1F ZINC000293890497 179155345 /nfs/dbraw/zinc/15/53/45/179155345.db2.gz GJAUOZKCLIVMKH-CMPLNLGQSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1F ZINC000293890505 179158575 /nfs/dbraw/zinc/15/85/75/179158575.db2.gz GJAUOZKCLIVMKH-JQWIXIFHSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1F ZINC000293890511 179159302 /nfs/dbraw/zinc/15/93/02/179159302.db2.gz GJAUOZKCLIVMKH-PWSUYJOCSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1F ZINC000293890518 179155192 /nfs/dbraw/zinc/15/51/92/179155192.db2.gz GJAUOZKCLIVMKH-ZYHUDNBSSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1Cl ZINC000293890644 384015283 /nfs/dbraw/zinc/01/52/83/384015283.db2.gz GKJAURYEJRTPIL-GFCCVEGCSA-N 1 2 247.729 3.402 20 0 BGADLO Cc1ccc(N[C@H]2CCn3cc[nH+]c32)cc1Cl ZINC000293890652 384015227 /nfs/dbraw/zinc/01/52/27/384015227.db2.gz GKJAURYEJRTPIL-LBPRGKRZSA-N 1 2 247.729 3.402 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000293938333 386905498 /nfs/dbraw/zinc/90/54/98/386905498.db2.gz HVOCVPWLTNCRJH-SECBINFHSA-N 1 2 247.235 3.038 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000293938333 386905494 /nfs/dbraw/zinc/90/54/94/386905494.db2.gz HVOCVPWLTNCRJH-SECBINFHSA-N 1 2 247.235 3.038 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000293938338 386905148 /nfs/dbraw/zinc/90/51/48/386905148.db2.gz HVOCVPWLTNCRJH-VIFPVBQESA-N 1 2 247.235 3.038 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000293938338 386905143 /nfs/dbraw/zinc/90/51/43/386905143.db2.gz HVOCVPWLTNCRJH-VIFPVBQESA-N 1 2 247.235 3.038 20 0 BGADLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1cccc(C2CC2)c1 ZINC000293948726 398118472 /nfs/dbraw/zinc/11/84/72/398118472.db2.gz ZBSKYZBTTFENCW-LLVKDONJSA-N 1 2 241.338 3.138 20 0 BGADLO C[C@H]([NH2+]Cc1ccn[nH]1)c1cccc(C2CC2)c1 ZINC000293948730 398118494 /nfs/dbraw/zinc/11/84/94/398118494.db2.gz ZBSKYZBTTFENCW-NSHDSACASA-N 1 2 241.338 3.138 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1cc(Cl)cs1 ZINC000293981786 411472752 /nfs/dbraw/zinc/47/27/52/411472752.db2.gz KZAIYLLKUAFHNB-SECBINFHSA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000293981786 411472748 /nfs/dbraw/zinc/47/27/48/411472748.db2.gz KZAIYLLKUAFHNB-SECBINFHSA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cs1 ZINC000293981790 411472611 /nfs/dbraw/zinc/47/26/11/411472611.db2.gz KZAIYLLKUAFHNB-VIFPVBQESA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cs1 ZINC000293981790 411472607 /nfs/dbraw/zinc/47/26/07/411472607.db2.gz KZAIYLLKUAFHNB-VIFPVBQESA-N 1 2 233.739 3.335 20 0 BGADLO Cc1cc(N[C@H]2CCOC2(C)C)ccc1[NH+](C)C ZINC000293986064 178191064 /nfs/dbraw/zinc/19/10/64/178191064.db2.gz BRHACCLXXQFALH-AWEZNQCLSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc(N[C@@H]2CCOC2(C)C)ccc1[NH+](C)C ZINC000293986069 178181936 /nfs/dbraw/zinc/18/19/36/178181936.db2.gz BRHACCLXXQFALH-CQSZACIVSA-N 1 2 248.370 3.040 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CC(C)(C)C1CC1 ZINC000294028339 385789859 /nfs/dbraw/zinc/78/98/59/385789859.db2.gz FIGCTYYVOABNRN-UHFFFAOYSA-N 1 2 246.354 3.409 20 0 BGADLO CSc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000294051094 384289935 /nfs/dbraw/zinc/28/99/35/384289935.db2.gz JIYZXQGJLILKME-GFCCVEGCSA-N 1 2 245.351 3.162 20 0 BGADLO CSc1cccc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000294051100 384289375 /nfs/dbraw/zinc/28/93/75/384289375.db2.gz JIYZXQGJLILKME-LBPRGKRZSA-N 1 2 245.351 3.162 20 0 BGADLO C[C@@H]1C[C@@H](Nc2cccc(F)c2)c2[nH+]ccn21 ZINC000294055703 176379967 /nfs/dbraw/zinc/37/99/67/176379967.db2.gz JRMNRPZRNZCOIG-BXKDBHETSA-N 1 2 231.274 3.140 20 0 BGADLO C[C@H]1C[C@H](Nc2cccc(F)c2)c2[nH+]ccn21 ZINC000294055707 177372759 /nfs/dbraw/zinc/37/27/59/177372759.db2.gz JRMNRPZRNZCOIG-CABZTGNLSA-N 1 2 231.274 3.140 20 0 BGADLO C[C@H]1C[C@@H](Nc2cccc(F)c2)c2[nH+]ccn21 ZINC000294055709 177334393 /nfs/dbraw/zinc/33/43/93/177334393.db2.gz JRMNRPZRNZCOIG-JOYOIKCWSA-N 1 2 231.274 3.140 20 0 BGADLO C[C@@H]1C[C@H](Nc2cccc(F)c2)c2[nH+]ccn21 ZINC000294055712 176426790 /nfs/dbraw/zinc/42/67/90/176426790.db2.gz JRMNRPZRNZCOIG-SKDRFNHKSA-N 1 2 231.274 3.140 20 0 BGADLO Cc1cc(F)ccc1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000294055803 178091268 /nfs/dbraw/zinc/09/12/68/178091268.db2.gz JSYNZIJXLFARRP-GWCFXTLKSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cc(F)ccc1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000294055805 178090495 /nfs/dbraw/zinc/09/04/95/178090495.db2.gz JSYNZIJXLFARRP-GXFFZTMASA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cc(F)ccc1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000294055807 178090985 /nfs/dbraw/zinc/09/09/85/178090985.db2.gz JSYNZIJXLFARRP-MFKMUULPSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cc(F)ccc1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000294055808 178090852 /nfs/dbraw/zinc/09/08/52/178090852.db2.gz JSYNZIJXLFARRP-ZWNOBZJWSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1Cl ZINC000294067088 179154290 /nfs/dbraw/zinc/15/42/90/179154290.db2.gz KMTNACJJAJOZNV-LLVKDONJSA-N 1 2 247.729 3.402 20 0 BGADLO Cc1cccc(N[C@H]2CCn3cc[nH+]c32)c1Cl ZINC000294067089 179156993 /nfs/dbraw/zinc/15/69/93/179156993.db2.gz KMTNACJJAJOZNV-NSHDSACASA-N 1 2 247.729 3.402 20 0 BGADLO Cc1ccc(C)c(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000294091482 384177850 /nfs/dbraw/zinc/17/78/50/384177850.db2.gz MCSMCEBDPIAJTM-GFCCVEGCSA-N 1 2 227.311 3.057 20 0 BGADLO Cc1ccc(C)c(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000294091485 384179190 /nfs/dbraw/zinc/17/91/90/384179190.db2.gz MCSMCEBDPIAJTM-LBPRGKRZSA-N 1 2 227.311 3.057 20 0 BGADLO Cc1c(Cl)cccc1N[C@@H]1CCn2cc[nH+]c21 ZINC000294093926 388395461 /nfs/dbraw/zinc/39/54/61/388395461.db2.gz MHKULKMMIMAUCW-GFCCVEGCSA-N 1 2 247.729 3.402 20 0 BGADLO Cc1c(Cl)cccc1N[C@H]1CCn2cc[nH+]c21 ZINC000294093928 388394789 /nfs/dbraw/zinc/39/47/89/388394789.db2.gz MHKULKMMIMAUCW-LBPRGKRZSA-N 1 2 247.729 3.402 20 0 BGADLO CCc1ccccc1N[C@@H]1CCn2cc[nH+]c21 ZINC000294107067 384691546 /nfs/dbraw/zinc/69/15/46/384691546.db2.gz NBEXEDOIQXLUGA-CYBMUJFWSA-N 1 2 227.311 3.002 20 0 BGADLO CCc1ccccc1N[C@H]1CCn2cc[nH+]c21 ZINC000294109391 384689906 /nfs/dbraw/zinc/68/99/06/384689906.db2.gz NBEXEDOIQXLUGA-ZDUSSCGKSA-N 1 2 227.311 3.002 20 0 BGADLO Clc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000294116664 384727373 /nfs/dbraw/zinc/72/73/73/384727373.db2.gz NRFMRATZCPRBIW-LLVKDONJSA-N 1 2 233.702 3.093 20 0 BGADLO Clc1cccc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000294116670 384726422 /nfs/dbraw/zinc/72/64/22/384726422.db2.gz NRFMRATZCPRBIW-NSHDSACASA-N 1 2 233.702 3.093 20 0 BGADLO Cc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1C ZINC000294136437 179155367 /nfs/dbraw/zinc/15/53/67/179155367.db2.gz OXMPTOGZUDXXQD-CYBMUJFWSA-N 1 2 227.311 3.057 20 0 BGADLO Cc1cccc(N[C@H]2CCn3cc[nH+]c32)c1C ZINC000294136445 179158029 /nfs/dbraw/zinc/15/80/29/179158029.db2.gz OXMPTOGZUDXXQD-ZDUSSCGKSA-N 1 2 227.311 3.057 20 0 BGADLO Cc1c(F)cccc1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000294136612 177608300 /nfs/dbraw/zinc/60/83/00/177608300.db2.gz OYZWQVRMYXZTBN-NOZJJQNGSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1c(F)cccc1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000294136618 384965465 /nfs/dbraw/zinc/96/54/65/384965465.db2.gz OYZWQVRMYXZTBN-RNCFNFMXSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1c(F)cccc1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000294136625 177608137 /nfs/dbraw/zinc/60/81/37/177608137.db2.gz OYZWQVRMYXZTBN-TVQRCGJNSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1c(F)cccc1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000294136631 384963190 /nfs/dbraw/zinc/96/31/90/384963190.db2.gz OYZWQVRMYXZTBN-ZANVPECISA-N 1 2 245.301 3.449 20 0 BGADLO Clc1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000294138626 384976231 /nfs/dbraw/zinc/97/62/31/384976231.db2.gz PDCJSPOMIQVMOD-LLVKDONJSA-N 1 2 233.702 3.093 20 0 BGADLO Clc1ccc(N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000294138632 384975724 /nfs/dbraw/zinc/97/57/24/384975724.db2.gz PDCJSPOMIQVMOD-NSHDSACASA-N 1 2 233.702 3.093 20 0 BGADLO COc1cccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000294143254 175280343 /nfs/dbraw/zinc/28/03/43/175280343.db2.gz PNQSHTSWMIUHBM-GWCFXTLKSA-N 1 2 243.310 3.010 20 0 BGADLO COc1cccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000294143256 175279859 /nfs/dbraw/zinc/27/98/59/175279859.db2.gz PNQSHTSWMIUHBM-GXFFZTMASA-N 1 2 243.310 3.010 20 0 BGADLO COc1cccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000294143258 175280101 /nfs/dbraw/zinc/28/01/01/175280101.db2.gz PNQSHTSWMIUHBM-MFKMUULPSA-N 1 2 243.310 3.010 20 0 BGADLO COc1cccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000294143260 175280073 /nfs/dbraw/zinc/28/00/73/175280073.db2.gz PNQSHTSWMIUHBM-ZWNOBZJWSA-N 1 2 243.310 3.010 20 0 BGADLO Cc1ccc(Cl)cc1N[C@@H]1CCn2cc[nH+]c21 ZINC000294146866 385135100 /nfs/dbraw/zinc/13/51/00/385135100.db2.gz PTKBMLDGDUUWHQ-LLVKDONJSA-N 1 2 247.729 3.402 20 0 BGADLO Cc1ccc(Cl)cc1N[C@H]1CCn2cc[nH+]c21 ZINC000294146868 385133054 /nfs/dbraw/zinc/13/30/54/385133054.db2.gz PTKBMLDGDUUWHQ-NSHDSACASA-N 1 2 247.729 3.402 20 0 BGADLO Cc1cc(F)cc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000294149011 178079291 /nfs/dbraw/zinc/07/92/91/178079291.db2.gz PWVCNZNSCXUTTH-GWCFXTLKSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cc(F)cc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000294149015 178079274 /nfs/dbraw/zinc/07/92/74/178079274.db2.gz PWVCNZNSCXUTTH-GXFFZTMASA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cc(F)cc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000294149019 178078962 /nfs/dbraw/zinc/07/89/62/178078962.db2.gz PWVCNZNSCXUTTH-MFKMUULPSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cc(F)cc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000294149025 178079122 /nfs/dbraw/zinc/07/91/22/178079122.db2.gz PWVCNZNSCXUTTH-ZWNOBZJWSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000294149330 385164580 /nfs/dbraw/zinc/16/45/80/385164580.db2.gz PZTPEYGFHHEDGG-AAEUAGOBSA-N 1 2 227.311 3.309 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000294149333 178774270 /nfs/dbraw/zinc/77/42/70/178774270.db2.gz PZTPEYGFHHEDGG-DGCLKSJQSA-N 1 2 227.311 3.309 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1 ZINC000294149335 385166393 /nfs/dbraw/zinc/16/63/93/385166393.db2.gz PZTPEYGFHHEDGG-WCQYABFASA-N 1 2 227.311 3.309 20 0 BGADLO Cc1ccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1 ZINC000294149338 385166231 /nfs/dbraw/zinc/16/62/31/385166231.db2.gz PZTPEYGFHHEDGG-YPMHNXCESA-N 1 2 227.311 3.309 20 0 BGADLO CSc1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000294195275 384390124 /nfs/dbraw/zinc/39/01/24/384390124.db2.gz SQTGFUCASTVMJL-GFCCVEGCSA-N 1 2 245.351 3.162 20 0 BGADLO CSc1ccc(N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000294195280 384390251 /nfs/dbraw/zinc/39/02/51/384390251.db2.gz SQTGFUCASTVMJL-LBPRGKRZSA-N 1 2 245.351 3.162 20 0 BGADLO Cc1ccc(F)c(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000294225204 384681617 /nfs/dbraw/zinc/68/16/17/384681617.db2.gz VCEKAKHVTBQEMC-GWCFXTLKSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(F)c(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000294225208 384681744 /nfs/dbraw/zinc/68/17/44/384681744.db2.gz VCEKAKHVTBQEMC-GXFFZTMASA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(F)c(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000294225211 384681530 /nfs/dbraw/zinc/68/15/30/384681530.db2.gz VCEKAKHVTBQEMC-MFKMUULPSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(F)c(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000294225215 178676954 /nfs/dbraw/zinc/67/69/54/178676954.db2.gz VCEKAKHVTBQEMC-ZWNOBZJWSA-N 1 2 245.301 3.449 20 0 BGADLO CCc1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000294233003 388396591 /nfs/dbraw/zinc/39/65/91/388396591.db2.gz VOXFDDXPTAULRQ-CYBMUJFWSA-N 1 2 227.311 3.002 20 0 BGADLO CCc1ccc(N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000294233007 388396332 /nfs/dbraw/zinc/39/63/32/388396332.db2.gz VOXFDDXPTAULRQ-ZDUSSCGKSA-N 1 2 227.311 3.002 20 0 BGADLO Cc1ccc(N[C@@H]2CCn3cc[nH+]c32)c(Cl)c1 ZINC000294237782 388398254 /nfs/dbraw/zinc/39/82/54/388398254.db2.gz VWPVNGRVXWZNMR-GFCCVEGCSA-N 1 2 247.729 3.402 20 0 BGADLO Cc1ccc(N[C@H]2CCn3cc[nH+]c32)c(Cl)c1 ZINC000294237786 388397524 /nfs/dbraw/zinc/39/75/24/388397524.db2.gz VWPVNGRVXWZNMR-LBPRGKRZSA-N 1 2 247.729 3.402 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc(F)c(F)c2)c2[nH+]ccn21 ZINC000294240057 384690301 /nfs/dbraw/zinc/69/03/01/384690301.db2.gz VYHHOPLCIQLJPD-PELKAZGASA-N 1 2 249.264 3.279 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc(F)c(F)c2)c2[nH+]ccn21 ZINC000294240060 176379893 /nfs/dbraw/zinc/37/98/93/176379893.db2.gz VYHHOPLCIQLJPD-PRHODGIISA-N 1 2 249.264 3.279 20 0 BGADLO C[C@H]1C[C@@H](Nc2ccc(F)c(F)c2)c2[nH+]ccn21 ZINC000294240063 177334681 /nfs/dbraw/zinc/33/46/81/177334681.db2.gz VYHHOPLCIQLJPD-QPUJVOFHSA-N 1 2 249.264 3.279 20 0 BGADLO C[C@H]1C[C@H](Nc2ccc(F)c(F)c2)c2[nH+]ccn21 ZINC000294240066 177371756 /nfs/dbraw/zinc/37/17/56/177371756.db2.gz VYHHOPLCIQLJPD-UFBFGSQYSA-N 1 2 249.264 3.279 20 0 BGADLO COc1ccccc1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000294245156 175338947 /nfs/dbraw/zinc/33/89/47/175338947.db2.gz WHOBCICMVNSRTE-CMPLNLGQSA-N 1 2 243.310 3.010 20 0 BGADLO COc1ccccc1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000294245159 175339654 /nfs/dbraw/zinc/33/96/54/175339654.db2.gz WHOBCICMVNSRTE-JQWIXIFHSA-N 1 2 243.310 3.010 20 0 BGADLO COc1ccccc1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000294245161 175340138 /nfs/dbraw/zinc/34/01/38/175340138.db2.gz WHOBCICMVNSRTE-PWSUYJOCSA-N 1 2 243.310 3.010 20 0 BGADLO COc1ccccc1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000294245165 175338660 /nfs/dbraw/zinc/33/86/60/175338660.db2.gz WHOBCICMVNSRTE-ZYHUDNBSSA-N 1 2 243.310 3.010 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ccnc32)o1 ZINC000294253904 398344016 /nfs/dbraw/zinc/34/40/16/398344016.db2.gz WTXSCJBWSFODIF-ADEWGFFLSA-N 1 2 245.326 3.141 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ccnc32)o1 ZINC000294253909 398344004 /nfs/dbraw/zinc/34/40/04/398344004.db2.gz WTXSCJBWSFODIF-DLOVCJGASA-N 1 2 245.326 3.141 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ccnc32)o1 ZINC000294253914 398344000 /nfs/dbraw/zinc/34/40/00/398344000.db2.gz WTXSCJBWSFODIF-USWWRNFRSA-N 1 2 245.326 3.141 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ccnc32)o1 ZINC000294253919 398344020 /nfs/dbraw/zinc/34/40/20/398344020.db2.gz WTXSCJBWSFODIF-ZMLRMANQSA-N 1 2 245.326 3.141 20 0 BGADLO Cc1cc(N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1F ZINC000294267041 178191923 /nfs/dbraw/zinc/19/19/23/178191923.db2.gz XPWKDZGXKFPBMY-GWCFXTLKSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1F ZINC000294267047 178184405 /nfs/dbraw/zinc/18/44/05/178184405.db2.gz XPWKDZGXKFPBMY-GXFFZTMASA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)ccc1F ZINC000294267052 178190668 /nfs/dbraw/zinc/19/06/68/178190668.db2.gz XPWKDZGXKFPBMY-MFKMUULPSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1cc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1F ZINC000294267057 178184490 /nfs/dbraw/zinc/18/44/90/178184490.db2.gz XPWKDZGXKFPBMY-ZWNOBZJWSA-N 1 2 245.301 3.449 20 0 BGADLO CC[C@@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000294470746 352378061 /nfs/dbraw/zinc/37/80/61/352378061.db2.gz CSTMEICLVMBMBY-NEPJUHHUSA-N 1 2 232.327 3.155 20 0 BGADLO CC[C@H]1CCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000294470748 398126912 /nfs/dbraw/zinc/12/69/12/398126912.db2.gz CSTMEICLVMBMBY-NWDGAFQWSA-N 1 2 232.327 3.155 20 0 BGADLO CC[C@H]1CCC[C@@H]1C(=O)Nc1cc[nH+]cc1C ZINC000294470751 398127032 /nfs/dbraw/zinc/12/70/32/398127032.db2.gz CSTMEICLVMBMBY-RYUDHWBXSA-N 1 2 232.327 3.155 20 0 BGADLO CC[C@@H]1CCC[C@H]1C(=O)Nc1cc[nH+]cc1C ZINC000294470755 352378084 /nfs/dbraw/zinc/37/80/84/352378084.db2.gz CSTMEICLVMBMBY-VXGBXAGGSA-N 1 2 232.327 3.155 20 0 BGADLO CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1ccsc1 ZINC000294480184 346034010 /nfs/dbraw/zinc/03/40/10/346034010.db2.gz XALPMNGQXDAWAB-GFCCVEGCSA-N 1 2 235.356 3.021 20 0 BGADLO CC[C@H]([NH2+]Cc1cn[nH]c1C)c1ccsc1 ZINC000294480187 384881148 /nfs/dbraw/zinc/88/11/48/384881148.db2.gz XALPMNGQXDAWAB-LBPRGKRZSA-N 1 2 235.356 3.021 20 0 BGADLO CCC(=CC(=O)Nc1ccn2cc[nH+]c2c1)CC ZINC000294565793 168196100 /nfs/dbraw/zinc/19/61/00/168196100.db2.gz XOCAVUKPIBDRCH-UHFFFAOYSA-N 1 2 243.310 3.019 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000294583874 179710701 /nfs/dbraw/zinc/71/07/01/179710701.db2.gz KYQUAHYSKNBCIL-DMDPSCGWSA-N 1 2 246.354 3.401 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000294583878 385871588 /nfs/dbraw/zinc/87/15/88/385871588.db2.gz KYQUAHYSKNBCIL-GMXVVIOVSA-N 1 2 246.354 3.401 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000294583882 385871666 /nfs/dbraw/zinc/87/16/66/385871666.db2.gz KYQUAHYSKNBCIL-NQBHXWOUSA-N 1 2 246.354 3.401 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000294583885 179709690 /nfs/dbraw/zinc/70/96/90/179709690.db2.gz KYQUAHYSKNBCIL-NTZNESFSSA-N 1 2 246.354 3.401 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)CCCC(C)C ZINC000294608195 385874689 /nfs/dbraw/zinc/87/46/89/385874689.db2.gz MTQWZVALIKEAII-UHFFFAOYSA-N 1 2 220.316 3.155 20 0 BGADLO Cc1sccc1C[NH2+]CC(F)(F)C(F)F ZINC000294625278 387591060 /nfs/dbraw/zinc/59/10/60/387591060.db2.gz JIXGRSJLGDLAKK-UHFFFAOYSA-N 1 2 241.253 3.047 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000294667680 178095125 /nfs/dbraw/zinc/09/51/25/178095125.db2.gz CKHPEMDUINJNIB-LALPHHSUSA-N 1 2 248.370 3.039 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1C[C@H](C)O[C@H]1C ZINC000294667689 178097138 /nfs/dbraw/zinc/09/71/38/178097138.db2.gz CKHPEMDUINJNIB-SLEUVZQESA-N 1 2 248.370 3.039 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000294667698 178095798 /nfs/dbraw/zinc/09/57/98/178095798.db2.gz CKHPEMDUINJNIB-TYNCELHUSA-N 1 2 248.370 3.039 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000294667707 178094876 /nfs/dbraw/zinc/09/48/76/178094876.db2.gz CKHPEMDUINJNIB-YWPYICTPSA-N 1 2 248.370 3.039 20 0 BGADLO Cc1cc(Cl)c(NCc2[nH]cc[nH+]2)cc1C ZINC000294749568 178060956 /nfs/dbraw/zinc/06/09/56/178060956.db2.gz IAJOBURRMBAJKU-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2cscn2)cs1 ZINC000294764080 385894142 /nfs/dbraw/zinc/89/41/42/385894142.db2.gz JAAYEXBAQITVQK-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2cscn2)cs1 ZINC000294764080 385894139 /nfs/dbraw/zinc/89/41/39/385894139.db2.gz JAAYEXBAQITVQK-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000294812956 352385027 /nfs/dbraw/zinc/38/50/27/352385027.db2.gz CAOBDNWCAMPUOJ-CHWSQXEVSA-N 1 2 246.354 3.463 20 0 BGADLO CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000294812964 352385120 /nfs/dbraw/zinc/38/51/20/352385120.db2.gz CAOBDNWCAMPUOJ-OLZOCXBDSA-N 1 2 246.354 3.463 20 0 BGADLO CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000294812970 385899390 /nfs/dbraw/zinc/89/93/90/385899390.db2.gz CAOBDNWCAMPUOJ-QWHCGFSZSA-N 1 2 246.354 3.463 20 0 BGADLO CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000294812977 385900211 /nfs/dbraw/zinc/90/02/11/385900211.db2.gz CAOBDNWCAMPUOJ-STQMWFEESA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc(Cl)c(NCc2[nH+]ccn2C)cc1C ZINC000294821203 178061503 /nfs/dbraw/zinc/06/15/03/178061503.db2.gz OVKDBBRBXLOZIS-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO Cc1cnc(CNc2ccc([NH+](C)C)cc2)s1 ZINC000294834399 179612689 /nfs/dbraw/zinc/61/26/89/179612689.db2.gz NQXCJSBFHZVIFX-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO Cc1cc(Cl)c(NCc2c[nH+]cn2C)cc1C ZINC000294853405 178061131 /nfs/dbraw/zinc/06/11/31/178061131.db2.gz SIVNNKHCVRQFDR-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO Cc1cc(N[C@@H]2C[C@@H](C)O[C@H]2C)ccc1[NH+](C)C ZINC000294861781 178182217 /nfs/dbraw/zinc/18/22/17/178182217.db2.gz VWTCHPKMHUQCDQ-MBNYWOFBSA-N 1 2 248.370 3.039 20 0 BGADLO Cc1cc(N[C@@H]2C[C@H](C)O[C@@H]2C)ccc1[NH+](C)C ZINC000294861785 178183851 /nfs/dbraw/zinc/18/38/51/178183851.db2.gz VWTCHPKMHUQCDQ-OUCADQQQSA-N 1 2 248.370 3.039 20 0 BGADLO Cc1cc(N[C@@H]2C[C@H](C)O[C@H]2C)ccc1[NH+](C)C ZINC000294861788 178184544 /nfs/dbraw/zinc/18/45/44/178184544.db2.gz VWTCHPKMHUQCDQ-SGMGOOAPSA-N 1 2 248.370 3.039 20 0 BGADLO Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H]2C)ccc1[NH+](C)C ZINC000294861791 178182312 /nfs/dbraw/zinc/18/23/12/178182312.db2.gz VWTCHPKMHUQCDQ-YRGRVCCFSA-N 1 2 248.370 3.039 20 0 BGADLO CC1(C)CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000294864091 355921820 /nfs/dbraw/zinc/92/18/20/355921820.db2.gz DFDWBPMBZDWQPQ-UHFFFAOYSA-N 1 2 230.764 3.028 20 0 BGADLO CC1(C)CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000294864091 355921812 /nfs/dbraw/zinc/92/18/12/355921812.db2.gz DFDWBPMBZDWQPQ-UHFFFAOYSA-N 1 2 230.764 3.028 20 0 BGADLO C[C@H](CC(C)(C)O)Nc1ccc2ccccc2[nH+]1 ZINC000294874111 385286279 /nfs/dbraw/zinc/28/62/79/385286279.db2.gz BIHLWJXWTQBLAZ-LLVKDONJSA-N 1 2 244.338 3.196 20 0 BGADLO C[C@@H](CC(C)(C)O)Nc1ccc2ccccc2[nH+]1 ZINC000294874188 385285647 /nfs/dbraw/zinc/28/56/47/385285647.db2.gz BIHLWJXWTQBLAZ-NSHDSACASA-N 1 2 244.338 3.196 20 0 BGADLO Cc1cnccc1CNc1ccc([NH+](C)C)cc1 ZINC000294880396 385288411 /nfs/dbraw/zinc/28/84/11/385288411.db2.gz QTGBUNXKOWOMIM-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO Cc1cc(CNc2ccc(N(C)C)[nH+]c2)cs1 ZINC000294880454 178043420 /nfs/dbraw/zinc/04/34/20/178043420.db2.gz XNBDOSNNOQYMTB-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO C[C@@H](CCO)CCNc1ccc2ccccc2[nH+]1 ZINC000294882214 388405668 /nfs/dbraw/zinc/40/56/68/388405668.db2.gz FZMJHWJFTZVYCV-GFCCVEGCSA-N 1 2 244.338 3.055 20 0 BGADLO C[C@H](CCO)CCNc1ccc2ccccc2[nH+]1 ZINC000294882219 388405562 /nfs/dbraw/zinc/40/55/62/388405562.db2.gz FZMJHWJFTZVYCV-LBPRGKRZSA-N 1 2 244.338 3.055 20 0 BGADLO CC(F)(F)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000294905060 385913979 /nfs/dbraw/zinc/91/39/79/385913979.db2.gz IQEYLVDRSGPRHB-UHFFFAOYSA-N 1 2 241.285 3.201 20 0 BGADLO CC(F)(F)CCNc1cc[nH+]c2ccncc12 ZINC000294908134 385914091 /nfs/dbraw/zinc/91/40/91/385914091.db2.gz IUPSMOWNINXGFR-UHFFFAOYSA-N 1 2 237.253 3.087 20 0 BGADLO COCC1CCC(Nc2ccc(C)[nH+]c2)CC1 ZINC000294938735 174118518 /nfs/dbraw/zinc/11/85/18/174118518.db2.gz BQAKTIKTDPEOAT-UHFFFAOYSA-N 1 2 234.343 3.007 20 0 BGADLO Cc1cc(C[N@H+]2CCC=C(F)C2)cs1 ZINC000294949745 385923433 /nfs/dbraw/zinc/92/34/33/385923433.db2.gz DDHLELDCIGVGAR-UHFFFAOYSA-N 1 2 211.305 3.116 20 0 BGADLO Cc1cc(C[N@@H+]2CCC=C(F)C2)cs1 ZINC000294949745 385923427 /nfs/dbraw/zinc/92/34/27/385923427.db2.gz DDHLELDCIGVGAR-UHFFFAOYSA-N 1 2 211.305 3.116 20 0 BGADLO Cc1cc(CNc2ccc[nH+]c2C)cs1 ZINC000294952686 178044613 /nfs/dbraw/zinc/04/46/13/178044613.db2.gz CFKCZIIPZXCIMF-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO COc1ccc(F)c(C[N@@H+](C)Cc2ccco2)c1 ZINC000294958077 175124628 /nfs/dbraw/zinc/12/46/28/175124628.db2.gz QNJFFUZTAYVLPX-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO COc1ccc(F)c(C[N@H+](C)Cc2ccco2)c1 ZINC000294958077 175124626 /nfs/dbraw/zinc/12/46/26/175124626.db2.gz QNJFFUZTAYVLPX-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO COCC1CCC(Nc2ccc(C)[nH+]c2C)CC1 ZINC000294958723 174119285 /nfs/dbraw/zinc/11/92/85/174119285.db2.gz CKKJGWXSMJCNCP-UHFFFAOYSA-N 1 2 248.370 3.316 20 0 BGADLO C[C@@H]1CC[C@H](C)[N@@H+](Cc2csc(Cl)n2)C1 ZINC000294969884 177184455 /nfs/dbraw/zinc/18/44/55/177184455.db2.gz LPHBJDJNRUHUCB-BDAKNGLRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[C@H](C)[N@H+](Cc2csc(Cl)n2)C1 ZINC000294969884 177184454 /nfs/dbraw/zinc/18/44/54/177184454.db2.gz LPHBJDJNRUHUCB-BDAKNGLRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1csc(Cl)n1 ZINC000294969887 177185301 /nfs/dbraw/zinc/18/53/01/177185301.db2.gz LPHBJDJNRUHUCB-DTWKUNHWSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1csc(Cl)n1 ZINC000294969887 177185300 /nfs/dbraw/zinc/18/53/00/177185300.db2.gz LPHBJDJNRUHUCB-DTWKUNHWSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC[C@H](C)[N@@H+](Cc2csc(Cl)n2)C1 ZINC000294969890 177198664 /nfs/dbraw/zinc/19/86/64/177198664.db2.gz LPHBJDJNRUHUCB-IUCAKERBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC[C@H](C)[N@H+](Cc2csc(Cl)n2)C1 ZINC000294969890 177198662 /nfs/dbraw/zinc/19/86/62/177198662.db2.gz LPHBJDJNRUHUCB-IUCAKERBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2csc(Cl)n2)C1 ZINC000294969891 176197709 /nfs/dbraw/zinc/19/77/09/176197709.db2.gz LPHBJDJNRUHUCB-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(Cl)n2)C1 ZINC000294969891 176197707 /nfs/dbraw/zinc/19/77/07/176197707.db2.gz LPHBJDJNRUHUCB-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO CC(C)(C)CCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000294974885 385931099 /nfs/dbraw/zinc/93/10/99/385931099.db2.gz RTBQLNLKMIOVBX-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO CC(C)(CO)CCNc1ccc2ccccc2[nH+]1 ZINC000294987624 188096862 /nfs/dbraw/zinc/09/68/62/188096862.db2.gz PXXOVKHNRRBYFF-UHFFFAOYSA-N 1 2 244.338 3.055 20 0 BGADLO Cc1cc(NCCC(C)(F)F)nc(C2CC2)[nH+]1 ZINC000294987926 178158102 /nfs/dbraw/zinc/15/81/02/178158102.db2.gz QEWUPAWXMZDOAR-UHFFFAOYSA-N 1 2 241.285 3.120 20 0 BGADLO Cc1ccc(NC(=O)CCCC(C)C)c(C)[nH+]1 ZINC000294996204 385938819 /nfs/dbraw/zinc/93/88/19/385938819.db2.gz PQGNAOAOCKXLOF-UHFFFAOYSA-N 1 2 234.343 3.463 20 0 BGADLO FC1(F)CCCC[C@H]1CNc1cccc[nH+]1 ZINC000295008173 385376380 /nfs/dbraw/zinc/37/63/80/385376380.db2.gz SOYQYBQZNDXORY-JTQLQIEISA-N 1 2 226.270 3.319 20 0 BGADLO FC1(F)CCCC[C@@H]1CNc1cccc[nH+]1 ZINC000295008176 385376641 /nfs/dbraw/zinc/37/66/41/385376641.db2.gz SOYQYBQZNDXORY-SNVBAGLBSA-N 1 2 226.270 3.319 20 0 BGADLO Cc1nc(NC[C@@H]2CCCCC2(F)F)cc[nH+]1 ZINC000295013087 180201358 /nfs/dbraw/zinc/20/13/58/180201358.db2.gz TYILAOXDOIDAMI-JTQLQIEISA-N 1 2 241.285 3.022 20 0 BGADLO Cc1nc(NC[C@H]2CCCCC2(F)F)cc[nH+]1 ZINC000295013088 180201787 /nfs/dbraw/zinc/20/17/87/180201787.db2.gz TYILAOXDOIDAMI-SNVBAGLBSA-N 1 2 241.285 3.022 20 0 BGADLO C[C@H](CCCO)CNc1ccc2ccccc2[nH+]1 ZINC000295023556 388407945 /nfs/dbraw/zinc/40/79/45/388407945.db2.gz UVNVOLIQZDWNSP-GFCCVEGCSA-N 1 2 244.338 3.055 20 0 BGADLO C[C@@H](CCCO)CNc1ccc2ccccc2[nH+]1 ZINC000295023557 388407931 /nfs/dbraw/zinc/40/79/31/388407931.db2.gz UVNVOLIQZDWNSP-LBPRGKRZSA-N 1 2 244.338 3.055 20 0 BGADLO Cc1ccc(NC(=O)CC(C)(C)C2CC2)c(C)[nH+]1 ZINC000295024937 385947626 /nfs/dbraw/zinc/94/76/26/385947626.db2.gz QSOUPHHXOAWHIR-UHFFFAOYSA-N 1 2 246.354 3.463 20 0 BGADLO CCCC[C@@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000295026712 352394736 /nfs/dbraw/zinc/39/47/36/352394736.db2.gz XDNLHXANRCFUQN-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CCCC[C@H](C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000295026713 352394740 /nfs/dbraw/zinc/39/47/40/352394740.db2.gz XDNLHXANRCFUQN-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO C[C@@H]1CCC[N@@H+](Cc2csc(Cl)n2)[C@H]1C ZINC000295097389 384312604 /nfs/dbraw/zinc/31/26/04/384312604.db2.gz SXHCNRVZQRSZPT-BDAKNGLRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CCC[N@H+](Cc2csc(Cl)n2)[C@H]1C ZINC000295097389 384312600 /nfs/dbraw/zinc/31/26/00/384312600.db2.gz SXHCNRVZQRSZPT-BDAKNGLRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1csc(Cl)n1 ZINC000295097390 177101176 /nfs/dbraw/zinc/10/11/76/177101176.db2.gz SXHCNRVZQRSZPT-DTWKUNHWSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1csc(Cl)n1 ZINC000295097390 177101174 /nfs/dbraw/zinc/10/11/74/177101174.db2.gz SXHCNRVZQRSZPT-DTWKUNHWSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CCC[N@@H+](Cc2csc(Cl)n2)[C@H]1C ZINC000295097393 177102309 /nfs/dbraw/zinc/10/23/09/177102309.db2.gz SXHCNRVZQRSZPT-IUCAKERBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CCC[N@H+](Cc2csc(Cl)n2)[C@H]1C ZINC000295097393 177102308 /nfs/dbraw/zinc/10/23/08/177102308.db2.gz SXHCNRVZQRSZPT-IUCAKERBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CCC[N@@H+](Cc2csc(Cl)n2)[C@@H]1C ZINC000295097395 176101325 /nfs/dbraw/zinc/10/13/25/176101325.db2.gz SXHCNRVZQRSZPT-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CCC[N@H+](Cc2csc(Cl)n2)[C@@H]1C ZINC000295097395 176101323 /nfs/dbraw/zinc/10/13/23/176101323.db2.gz SXHCNRVZQRSZPT-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)[C@@H](C)C1 ZINC000295100564 177355880 /nfs/dbraw/zinc/35/58/80/177355880.db2.gz UBEQXNOWNSUMKO-BDAKNGLRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2csc(Cl)n2)[C@@H](C)C1 ZINC000295100564 177355879 /nfs/dbraw/zinc/35/58/79/177355879.db2.gz UBEQXNOWNSUMKO-BDAKNGLRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1csc(Cl)n1 ZINC000295100565 177166567 /nfs/dbraw/zinc/16/65/67/177166567.db2.gz UBEQXNOWNSUMKO-DTWKUNHWSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1csc(Cl)n1 ZINC000295100565 177166566 /nfs/dbraw/zinc/16/65/66/177166566.db2.gz UBEQXNOWNSUMKO-DTWKUNHWSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2csc(Cl)n2)[C@@H](C)C1 ZINC000295100567 177166933 /nfs/dbraw/zinc/16/69/33/177166933.db2.gz UBEQXNOWNSUMKO-IUCAKERBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC[N@H+](Cc2csc(Cl)n2)[C@@H](C)C1 ZINC000295100567 177166931 /nfs/dbraw/zinc/16/69/31/177166931.db2.gz UBEQXNOWNSUMKO-IUCAKERBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)[C@H](C)C1 ZINC000295100568 176177828 /nfs/dbraw/zinc/17/78/28/176177828.db2.gz UBEQXNOWNSUMKO-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2csc(Cl)n2)[C@H](C)C1 ZINC000295100568 176177827 /nfs/dbraw/zinc/17/78/27/176177827.db2.gz UBEQXNOWNSUMKO-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)[C@@H]1C ZINC000295104847 176177990 /nfs/dbraw/zinc/17/79/90/176177990.db2.gz UPKZOIDYLMJUKX-HTQZYQBOSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2csc(Cl)n2)[C@@H]1C ZINC000295104847 176177989 /nfs/dbraw/zinc/17/79/89/176177989.db2.gz UPKZOIDYLMJUKX-HTQZYQBOSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1csc(Cl)n1 ZINC000295104848 177166734 /nfs/dbraw/zinc/16/67/34/177166734.db2.gz UPKZOIDYLMJUKX-JGVFFNPUSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1csc(Cl)n1 ZINC000295104848 177166731 /nfs/dbraw/zinc/16/67/31/177166731.db2.gz UPKZOIDYLMJUKX-JGVFFNPUSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)[C@H]1C ZINC000295104851 386692904 /nfs/dbraw/zinc/69/29/04/386692904.db2.gz UPKZOIDYLMJUKX-SFYZADRCSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2csc(Cl)n2)[C@H]1C ZINC000295104851 386692898 /nfs/dbraw/zinc/69/28/98/386692898.db2.gz UPKZOIDYLMJUKX-SFYZADRCSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2csc(Cl)n2)[C@H]1C ZINC000295104853 177167698 /nfs/dbraw/zinc/16/76/98/177167698.db2.gz UPKZOIDYLMJUKX-YUMQZZPRSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@H]1CC[N@H+](Cc2csc(Cl)n2)[C@H]1C ZINC000295104853 177167697 /nfs/dbraw/zinc/16/76/97/177167697.db2.gz UPKZOIDYLMJUKX-YUMQZZPRSA-N 1 2 230.764 3.027 20 0 BGADLO Cc1cccc(CSCc2c[nH+]cn2C)c1 ZINC000295187660 385988502 /nfs/dbraw/zinc/98/85/02/385988502.db2.gz KGBGQTQMPLGFDO-UHFFFAOYSA-N 1 2 232.352 3.162 20 0 BGADLO Cc1nocc1C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000295246648 385999933 /nfs/dbraw/zinc/99/99/33/385999933.db2.gz FOQJCAGSHSVRSZ-LLVKDONJSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1nocc1C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000295246648 385999925 /nfs/dbraw/zinc/99/99/25/385999925.db2.gz FOQJCAGSHSVRSZ-LLVKDONJSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1nocc1C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000295246657 385998512 /nfs/dbraw/zinc/99/85/12/385998512.db2.gz FOQJCAGSHSVRSZ-NSHDSACASA-N 1 2 246.310 3.302 20 0 BGADLO Cc1nocc1C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000295246657 385998504 /nfs/dbraw/zinc/99/85/04/385998504.db2.gz FOQJCAGSHSVRSZ-NSHDSACASA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cccc(CSCc2[nH+]ccn2C)c1 ZINC000295253205 179103609 /nfs/dbraw/zinc/10/36/09/179103609.db2.gz WZORTEWLODROPL-UHFFFAOYSA-N 1 2 232.352 3.162 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000295258311 386000676 /nfs/dbraw/zinc/00/06/76/386000676.db2.gz BNYWFXHCUXDWQV-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000295258311 386000675 /nfs/dbraw/zinc/00/06/75/386000675.db2.gz BNYWFXHCUXDWQV-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC000295258326 385998909 /nfs/dbraw/zinc/99/89/09/385998909.db2.gz BNYWFXHCUXDWQV-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC000295258326 385998902 /nfs/dbraw/zinc/99/89/02/385998902.db2.gz BNYWFXHCUXDWQV-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO CCC[N@@H+](Cc1c(F)ccc(O)c1F)C1CC1 ZINC000295310678 169173474 /nfs/dbraw/zinc/17/34/74/169173474.db2.gz KNZRSLBMLKSUJF-UHFFFAOYSA-N 1 2 241.281 3.045 20 0 BGADLO CCC[N@H+](Cc1c(F)ccc(O)c1F)C1CC1 ZINC000295310678 169173473 /nfs/dbraw/zinc/17/34/73/169173473.db2.gz KNZRSLBMLKSUJF-UHFFFAOYSA-N 1 2 241.281 3.045 20 0 BGADLO Cc1sccc1C[N@@H+](C)Cc1cscn1 ZINC000295378590 386023406 /nfs/dbraw/zinc/02/34/06/386023406.db2.gz OWCGHOLSKCLPTP-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1sccc1C[N@H+](C)Cc1cscn1 ZINC000295378590 386023397 /nfs/dbraw/zinc/02/33/97/386023397.db2.gz OWCGHOLSKCLPTP-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1cccc(C[N@@H+](C)Cc2ccccn2)c1F ZINC000295398086 179066807 /nfs/dbraw/zinc/06/68/07/179066807.db2.gz LUYGYMZOWGCLPG-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1cccc(C[N@H+](C)Cc2ccccn2)c1F ZINC000295398086 179066805 /nfs/dbraw/zinc/06/68/05/179066805.db2.gz LUYGYMZOWGCLPG-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO CCC1CC[NH+](Cc2csc(Cl)n2)CC1 ZINC000295408259 384501991 /nfs/dbraw/zinc/50/19/91/384501991.db2.gz CXNOLYUVNHUTOK-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO Cc1sccc1C[N@@H+](C)Cc1nccs1 ZINC000295409264 386026663 /nfs/dbraw/zinc/02/66/63/386026663.db2.gz RMPQILJPIMKELT-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1sccc1C[N@H+](C)Cc1nccs1 ZINC000295409264 386026659 /nfs/dbraw/zinc/02/66/59/386026659.db2.gz RMPQILJPIMKELT-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1cccc(C[N@@H+](C)Cc2cccnc2)c1F ZINC000295415495 179067539 /nfs/dbraw/zinc/06/75/39/179067539.db2.gz NMFSUJJUYVNKNW-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1cccc(C[N@H+](C)Cc2cccnc2)c1F ZINC000295415495 179067537 /nfs/dbraw/zinc/06/75/37/179067537.db2.gz NMFSUJJUYVNKNW-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1cnns1 ZINC000295417153 179317216 /nfs/dbraw/zinc/31/72/16/179317216.db2.gz DPVUYDYMOYBPKX-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1cnns1 ZINC000295417153 179317215 /nfs/dbraw/zinc/31/72/15/179317215.db2.gz DPVUYDYMOYBPKX-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1cnns1 ZINC000295417157 179334973 /nfs/dbraw/zinc/33/49/73/179334973.db2.gz DPVUYDYMOYBPKX-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1[C@H](C)[N@H+](C)Cc1cnns1 ZINC000295417157 179334971 /nfs/dbraw/zinc/33/49/71/179334971.db2.gz DPVUYDYMOYBPKX-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO CC(=O)c1cccc(C[N@H+]2CCC[C@](C)(F)C2)c1 ZINC000295432242 386031910 /nfs/dbraw/zinc/03/19/10/386031910.db2.gz OEJVYZARXLEBMW-HNNXBMFYSA-N 1 2 249.329 3.213 20 0 BGADLO CC(=O)c1cccc(C[N@@H+]2CCC[C@](C)(F)C2)c1 ZINC000295432242 386031905 /nfs/dbraw/zinc/03/19/05/386031905.db2.gz OEJVYZARXLEBMW-HNNXBMFYSA-N 1 2 249.329 3.213 20 0 BGADLO CC(=O)c1cccc(C[N@H+]2CCC[C@@](C)(F)C2)c1 ZINC000295432245 386032390 /nfs/dbraw/zinc/03/23/90/386032390.db2.gz OEJVYZARXLEBMW-OAHLLOKOSA-N 1 2 249.329 3.213 20 0 BGADLO CC(=O)c1cccc(C[N@@H+]2CCC[C@@](C)(F)C2)c1 ZINC000295432245 386032387 /nfs/dbraw/zinc/03/23/87/386032387.db2.gz OEJVYZARXLEBMW-OAHLLOKOSA-N 1 2 249.329 3.213 20 0 BGADLO C[C@@H]([NH2+]Cc1c[nH]cn1)c1cccc(C2CC2)c1 ZINC000295440017 411477889 /nfs/dbraw/zinc/47/78/89/411477889.db2.gz OTMKDZKEOHUKOG-LLVKDONJSA-N 1 2 241.338 3.138 20 0 BGADLO C[C@H]([NH2+]Cc1c[nH]cn1)c1cccc(C2CC2)c1 ZINC000295440028 411478075 /nfs/dbraw/zinc/47/80/75/411478075.db2.gz OTMKDZKEOHUKOG-NSHDSACASA-N 1 2 241.338 3.138 20 0 BGADLO Cc1nc(C[N@H+]2CCC[C@@](C)(F)C2)sc1C ZINC000295460786 384531965 /nfs/dbraw/zinc/53/19/65/384531965.db2.gz QEDJHFRYJVYAGN-GFCCVEGCSA-N 1 2 242.363 3.084 20 0 BGADLO Cc1nc(C[N@@H+]2CCC[C@@](C)(F)C2)sc1C ZINC000295460786 384531956 /nfs/dbraw/zinc/53/19/56/384531956.db2.gz QEDJHFRYJVYAGN-GFCCVEGCSA-N 1 2 242.363 3.084 20 0 BGADLO Cc1nc(C[N@H+]2CCC[C@](C)(F)C2)sc1C ZINC000295460795 384532736 /nfs/dbraw/zinc/53/27/36/384532736.db2.gz QEDJHFRYJVYAGN-LBPRGKRZSA-N 1 2 242.363 3.084 20 0 BGADLO Cc1nc(C[N@@H+]2CCC[C@](C)(F)C2)sc1C ZINC000295460795 384532731 /nfs/dbraw/zinc/53/27/31/384532731.db2.gz QEDJHFRYJVYAGN-LBPRGKRZSA-N 1 2 242.363 3.084 20 0 BGADLO COCC1CCC(Nc2ccc[nH+]c2C)CC1 ZINC000295586024 174118625 /nfs/dbraw/zinc/11/86/25/174118625.db2.gz DWBHFGOXPDTXGR-UHFFFAOYSA-N 1 2 234.343 3.007 20 0 BGADLO Cc1cc(CNc2ccc(C)[nH+]c2)cs1 ZINC000295591934 385968297 /nfs/dbraw/zinc/96/82/97/385968297.db2.gz FEXBAQFCTQJNOY-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO CC(C)[N@@H+](Cc1ccc(Cl)s1)C1COC1 ZINC000295606881 187351453 /nfs/dbraw/zinc/35/14/53/187351453.db2.gz DJTNXOPXCONMQQ-UHFFFAOYSA-N 1 2 245.775 3.011 20 0 BGADLO CC(C)[N@H+](Cc1ccc(Cl)s1)C1COC1 ZINC000295606881 187351451 /nfs/dbraw/zinc/35/14/51/187351451.db2.gz DJTNXOPXCONMQQ-UHFFFAOYSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1CCC[N@@H+](Cc2csc(Cl)n2)CC1 ZINC000295626320 176100813 /nfs/dbraw/zinc/10/08/13/176100813.db2.gz WXFLUIOPNIHOAL-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO C[C@@H]1CCC[N@H+](Cc2csc(Cl)n2)CC1 ZINC000295626320 176100812 /nfs/dbraw/zinc/10/08/12/176100812.db2.gz WXFLUIOPNIHOAL-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO C[C@H]1CCC[N@@H+](Cc2csc(Cl)n2)CC1 ZINC000295626329 177102542 /nfs/dbraw/zinc/10/25/42/177102542.db2.gz WXFLUIOPNIHOAL-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO C[C@H]1CCC[N@H+](Cc2csc(Cl)n2)CC1 ZINC000295626329 177102539 /nfs/dbraw/zinc/10/25/39/177102539.db2.gz WXFLUIOPNIHOAL-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO COc1cc[nH+]cc1NCc1csc(C)c1 ZINC000295636794 175375981 /nfs/dbraw/zinc/37/59/81/175375981.db2.gz HZEGHKABDSRDFV-UHFFFAOYSA-N 1 2 234.324 3.072 20 0 BGADLO Clc1nc(C[N@H+]2CCCC3(CC3)C2)cs1 ZINC000295676723 188393521 /nfs/dbraw/zinc/39/35/21/188393521.db2.gz GPLYCWIGFCVDEC-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO Clc1nc(C[N@@H+]2CCCC3(CC3)C2)cs1 ZINC000295676723 188393519 /nfs/dbraw/zinc/39/35/19/188393519.db2.gz GPLYCWIGFCVDEC-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO C[C@@H]1CCCC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000295688024 176065006 /nfs/dbraw/zinc/06/50/06/176065006.db2.gz IAKCMVAAWZTPSF-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO C[C@@H]1CCCC[N@H+](Cc2csc(Cl)n2)C1 ZINC000295688024 176065004 /nfs/dbraw/zinc/06/50/04/176065004.db2.gz IAKCMVAAWZTPSF-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO C[C@H]1CCCC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000295688026 177070863 /nfs/dbraw/zinc/07/08/63/177070863.db2.gz IAKCMVAAWZTPSF-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO C[C@H]1CCCC[N@H+](Cc2csc(Cl)n2)C1 ZINC000295688026 177070861 /nfs/dbraw/zinc/07/08/61/177070861.db2.gz IAKCMVAAWZTPSF-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO Cc1cnc(CNc2ccc(C)[nH+]c2C)s1 ZINC000295700864 388413241 /nfs/dbraw/zinc/41/32/41/388413241.db2.gz MJVBVLUHVXCIQU-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1cc(CNc2ccc(N(C)C)c[nH+]2)cs1 ZINC000295776297 178043378 /nfs/dbraw/zinc/04/33/78/178043378.db2.gz RFBVXPATZKCRDI-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO CCOc1ccc([NH2+]CCc2cscn2)cc1 ZINC000295780279 386084951 /nfs/dbraw/zinc/08/49/51/386084951.db2.gz AUURTPATEXKZRR-UHFFFAOYSA-N 1 2 248.351 3.196 20 0 BGADLO Cc1ccc(NCc2ccncc2C)c(C)[nH+]1 ZINC000295783038 388414341 /nfs/dbraw/zinc/41/43/41/388414341.db2.gz RPEYQVXMSNZMAB-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CCCC(C)C ZINC000295817440 352425552 /nfs/dbraw/zinc/42/55/52/352425552.db2.gz LMMLODHSAZQFSE-UHFFFAOYSA-N 1 2 234.343 3.409 20 0 BGADLO Cc1ccc(N[C@@H]2CCOC3(CCC3)C2)c(C)[nH+]1 ZINC000295826958 386091548 /nfs/dbraw/zinc/09/15/48/386091548.db2.gz VBNCKXIHSBFKBM-CYBMUJFWSA-N 1 2 246.354 3.212 20 0 BGADLO Cc1ccc(N[C@H]2CCOC3(CCC3)C2)c(C)[nH+]1 ZINC000295826960 178778090 /nfs/dbraw/zinc/77/80/90/178778090.db2.gz VBNCKXIHSBFKBM-ZDUSSCGKSA-N 1 2 246.354 3.212 20 0 BGADLO COCC1CCC(Nc2c[nH+]cc(C)c2)CC1 ZINC000295840750 174118461 /nfs/dbraw/zinc/11/84/61/174118461.db2.gz VWOGHXBIBJFPRH-UHFFFAOYSA-N 1 2 234.343 3.007 20 0 BGADLO CCn1cccc1CNc1ccc(SC)c[nH+]1 ZINC000295873899 172209738 /nfs/dbraw/zinc/20/97/38/172209738.db2.gz XNBZOPSUONUNCR-UHFFFAOYSA-N 1 2 247.367 3.237 20 0 BGADLO CCOc1ccc([NH2+]CCC2CCOCC2)cc1 ZINC000295906413 388416189 /nfs/dbraw/zinc/41/61/89/388416189.db2.gz IZLVHPRAKGPBCL-UHFFFAOYSA-N 1 2 249.354 3.314 20 0 BGADLO Cc1cc(CNc2c[nH+]cc(C)c2)cs1 ZINC000295913132 383890220 /nfs/dbraw/zinc/89/02/20/383890220.db2.gz ZOUYYPXHFZTBPT-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000295938530 386109332 /nfs/dbraw/zinc/10/93/32/386109332.db2.gz GFRJJZLCRQRJSG-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000295938530 386109327 /nfs/dbraw/zinc/10/93/27/386109327.db2.gz GFRJJZLCRQRJSG-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000295938533 386108335 /nfs/dbraw/zinc/10/83/35/386108335.db2.gz GFRJJZLCRQRJSG-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000295938533 386108330 /nfs/dbraw/zinc/10/83/30/386108330.db2.gz GFRJJZLCRQRJSG-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000295972035 386114713 /nfs/dbraw/zinc/11/47/13/386114713.db2.gz IRQLOTIUHLYDHI-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2cccnc2Cl)C1 ZINC000295972035 386114705 /nfs/dbraw/zinc/11/47/05/386114705.db2.gz IRQLOTIUHLYDHI-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2cccnc2Cl)C1 ZINC000295972037 386114057 /nfs/dbraw/zinc/11/40/57/386114057.db2.gz IRQLOTIUHLYDHI-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2cccnc2Cl)C1 ZINC000295972037 386114054 /nfs/dbraw/zinc/11/40/54/386114054.db2.gz IRQLOTIUHLYDHI-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO CC1=C(C)C[N@@H+](Cc2csc(Cl)n2)CC1 ZINC000295991145 168085016 /nfs/dbraw/zinc/08/50/16/168085016.db2.gz LXPJIYLEELYVPG-UHFFFAOYSA-N 1 2 242.775 3.339 20 0 BGADLO CC1=C(C)C[N@H+](Cc2csc(Cl)n2)CC1 ZINC000295991145 168085012 /nfs/dbraw/zinc/08/50/12/168085012.db2.gz LXPJIYLEELYVPG-UHFFFAOYSA-N 1 2 242.775 3.339 20 0 BGADLO CCc1nc(C[N@H+]2CCC[C@@](C)(F)C2)cs1 ZINC000295992069 352431440 /nfs/dbraw/zinc/43/14/40/352431440.db2.gz KGTPMLQOJIBOSN-GFCCVEGCSA-N 1 2 242.363 3.030 20 0 BGADLO CCc1nc(C[N@@H+]2CCC[C@@](C)(F)C2)cs1 ZINC000295992069 352431438 /nfs/dbraw/zinc/43/14/38/352431438.db2.gz KGTPMLQOJIBOSN-GFCCVEGCSA-N 1 2 242.363 3.030 20 0 BGADLO CCc1nc(C[N@H+]2CCC[C@](C)(F)C2)cs1 ZINC000295992076 352431404 /nfs/dbraw/zinc/43/14/04/352431404.db2.gz KGTPMLQOJIBOSN-LBPRGKRZSA-N 1 2 242.363 3.030 20 0 BGADLO CCc1nc(C[N@@H+]2CCC[C@](C)(F)C2)cs1 ZINC000295992076 352431401 /nfs/dbraw/zinc/43/14/01/352431401.db2.gz KGTPMLQOJIBOSN-LBPRGKRZSA-N 1 2 242.363 3.030 20 0 BGADLO COc1ccc([NH2+]CC2CC(F)(F)C2)cc1 ZINC000296045366 175150591 /nfs/dbraw/zinc/15/05/91/175150591.db2.gz QURMWDADAVVVHO-UHFFFAOYSA-N 1 2 227.254 3.152 20 0 BGADLO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000296089632 172229783 /nfs/dbraw/zinc/22/97/83/172229783.db2.gz TUWNWUIOHBAIIQ-NEPJUHHUSA-N 1 2 247.342 3.216 20 0 BGADLO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000296092126 172227369 /nfs/dbraw/zinc/22/73/69/172227369.db2.gz TUWNWUIOHBAIIQ-NWDGAFQWSA-N 1 2 247.342 3.216 20 0 BGADLO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000296092127 172230044 /nfs/dbraw/zinc/23/00/44/172230044.db2.gz TUWNWUIOHBAIIQ-RYUDHWBXSA-N 1 2 247.342 3.216 20 0 BGADLO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000296092130 172227840 /nfs/dbraw/zinc/22/78/40/172227840.db2.gz TUWNWUIOHBAIIQ-VXGBXAGGSA-N 1 2 247.342 3.216 20 0 BGADLO CC(C)[N@@H+](Cc1sccc1Cl)C1COC1 ZINC000296151492 386142628 /nfs/dbraw/zinc/14/26/28/386142628.db2.gz VYAIXSAEXCFQJT-UHFFFAOYSA-N 1 2 245.775 3.011 20 0 BGADLO CC(C)[N@H+](Cc1sccc1Cl)C1COC1 ZINC000296151492 386142621 /nfs/dbraw/zinc/14/26/21/386142621.db2.gz VYAIXSAEXCFQJT-UHFFFAOYSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C[C@@H]1C ZINC000296210628 176176950 /nfs/dbraw/zinc/17/69/50/176176950.db2.gz FYXMEGJJFYJXSW-BDAKNGLRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C[C@@H]1C ZINC000296210628 176176949 /nfs/dbraw/zinc/17/69/49/176176949.db2.gz FYXMEGJJFYJXSW-BDAKNGLRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC000296210634 177167095 /nfs/dbraw/zinc/16/70/95/177167095.db2.gz FYXMEGJJFYJXSW-DTWKUNHWSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1CC[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC000296210634 177167094 /nfs/dbraw/zinc/16/70/94/177167094.db2.gz FYXMEGJJFYJXSW-DTWKUNHWSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1C[N@H+](Cc2csc(Cl)n2)CC[C@@H]1C ZINC000296210641 177166679 /nfs/dbraw/zinc/16/66/79/177166679.db2.gz FYXMEGJJFYJXSW-IUCAKERBSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1C[N@@H+](Cc2csc(Cl)n2)CC[C@@H]1C ZINC000296210641 177166677 /nfs/dbraw/zinc/16/66/77/177166677.db2.gz FYXMEGJJFYJXSW-IUCAKERBSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC000296210645 176311006 /nfs/dbraw/zinc/31/10/06/176311006.db2.gz FYXMEGJJFYJXSW-RKDXNWHRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C[C@H]1C ZINC000296210645 176311005 /nfs/dbraw/zinc/31/10/05/176311005.db2.gz FYXMEGJJFYJXSW-RKDXNWHRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H](CCCCO)Nc1ccc2ccccc2[nH+]1 ZINC000296213992 388418220 /nfs/dbraw/zinc/41/82/20/388418220.db2.gz GFGZLVNNVOBJRB-GFCCVEGCSA-N 1 2 244.338 3.198 20 0 BGADLO C[C@@H](CCCCO)Nc1ccc2ccccc2[nH+]1 ZINC000296214007 388418356 /nfs/dbraw/zinc/41/83/56/388418356.db2.gz GFGZLVNNVOBJRB-LBPRGKRZSA-N 1 2 244.338 3.198 20 0 BGADLO CSCC1CCC(Nc2cccc[nH+]2)CC1 ZINC000296231371 398208252 /nfs/dbraw/zinc/20/82/52/398208252.db2.gz HOOAKEWAEHLKDE-UHFFFAOYSA-N 1 2 236.384 3.415 20 0 BGADLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(F)c1 ZINC000296242441 172230005 /nfs/dbraw/zinc/23/00/05/172230005.db2.gz AYNWFNCJXFMTAK-JTQLQIEISA-N 1 2 233.290 3.215 20 0 BGADLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(F)c1 ZINC000296242443 172229068 /nfs/dbraw/zinc/22/90/68/172229068.db2.gz AYNWFNCJXFMTAK-SNVBAGLBSA-N 1 2 233.290 3.215 20 0 BGADLO CC1(C)OCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000296260118 383999925 /nfs/dbraw/zinc/99/99/25/383999925.db2.gz JLRFRPRVPZVFFT-CYBMUJFWSA-N 1 2 242.322 3.214 20 0 BGADLO CC1(C)OCC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000296260119 188269798 /nfs/dbraw/zinc/26/97/98/188269798.db2.gz JLRFRPRVPZVFFT-ZDUSSCGKSA-N 1 2 242.322 3.214 20 0 BGADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccccc1OC ZINC000296275222 172229104 /nfs/dbraw/zinc/22/91/04/172229104.db2.gz CANSSHLEGBPUFF-LLVKDONJSA-N 1 2 245.326 3.085 20 0 BGADLO CCn1cc[nH+]c1[C@H](C)Nc1ccccc1OC ZINC000296275224 172228924 /nfs/dbraw/zinc/22/89/24/172228924.db2.gz CANSSHLEGBPUFF-NSHDSACASA-N 1 2 245.326 3.085 20 0 BGADLO C[C@@H]1C[C@@H](Nc2cccc[nH+]2)c2ccccc2O1 ZINC000296355752 176379861 /nfs/dbraw/zinc/37/98/61/176379861.db2.gz RLCVKPWFTBSFQQ-DGCLKSJQSA-N 1 2 240.306 3.406 20 0 BGADLO CC(C)Oc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000296506377 487567937 /nfs/dbraw/zinc/56/79/37/487567937.db2.gz PICAHSKEZPQHIG-LLVKDONJSA-N 1 2 245.326 3.370 20 0 BGADLO CC(C)Oc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000296506382 487567910 /nfs/dbraw/zinc/56/79/10/487567910.db2.gz PICAHSKEZPQHIG-NSHDSACASA-N 1 2 245.326 3.370 20 0 BGADLO CC(=O)c1ccc(C[N@@H+](C)Cc2ccco2)cc1 ZINC000296621133 487790504 /nfs/dbraw/zinc/79/05/04/487790504.db2.gz UVIRAGARIYEZBE-UHFFFAOYSA-N 1 2 243.306 3.114 20 0 BGADLO CC(=O)c1ccc(C[N@H+](C)Cc2ccco2)cc1 ZINC000296621133 487790502 /nfs/dbraw/zinc/79/05/02/487790502.db2.gz UVIRAGARIYEZBE-UHFFFAOYSA-N 1 2 243.306 3.114 20 0 BGADLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(C)c1 ZINC000296644167 172229360 /nfs/dbraw/zinc/22/93/60/172229360.db2.gz CYAAMPXMODIXAV-GFCCVEGCSA-N 1 2 229.327 3.385 20 0 BGADLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(C)c1 ZINC000296644169 172229737 /nfs/dbraw/zinc/22/97/37/172229737.db2.gz CYAAMPXMODIXAV-LBPRGKRZSA-N 1 2 229.327 3.385 20 0 BGADLO CC(=O)c1cccc(C[N@@H+](C)Cc2ccco2)c1 ZINC000296651465 386191738 /nfs/dbraw/zinc/19/17/38/386191738.db2.gz XLIVPNGUXLAZOF-UHFFFAOYSA-N 1 2 243.306 3.114 20 0 BGADLO CC(=O)c1cccc(C[N@H+](C)Cc2ccco2)c1 ZINC000296651465 386191733 /nfs/dbraw/zinc/19/17/33/386191733.db2.gz XLIVPNGUXLAZOF-UHFFFAOYSA-N 1 2 243.306 3.114 20 0 BGADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(OC)cc1 ZINC000296668431 172229729 /nfs/dbraw/zinc/22/97/29/172229729.db2.gz FRKGNQPOVVWALM-LLVKDONJSA-N 1 2 245.326 3.085 20 0 BGADLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(OC)cc1 ZINC000296668433 172229916 /nfs/dbraw/zinc/22/99/16/172229916.db2.gz FRKGNQPOVVWALM-NSHDSACASA-N 1 2 245.326 3.085 20 0 BGADLO Cc1ccc(NC(=O)NC2(C(C)C)CC2)c(C)[nH+]1 ZINC000296708442 386194121 /nfs/dbraw/zinc/19/41/21/386194121.db2.gz VLYYAZSNVBVITH-UHFFFAOYSA-N 1 2 247.342 3.009 20 0 BGADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(C)cc1 ZINC000296814828 172230203 /nfs/dbraw/zinc/23/02/03/172230203.db2.gz LXCPXZAYICTDBC-GFCCVEGCSA-N 1 2 229.327 3.385 20 0 BGADLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(C)cc1 ZINC000296814831 172229101 /nfs/dbraw/zinc/22/91/01/172229101.db2.gz LXCPXZAYICTDBC-LBPRGKRZSA-N 1 2 229.327 3.385 20 0 BGADLO Clc1nc(C[N@H+]2CCC3(CCC3)C2)cs1 ZINC000296851609 353830007 /nfs/dbraw/zinc/83/00/07/353830007.db2.gz UIYQFQRDBBVVNK-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO Clc1nc(C[N@@H+]2CCC3(CCC3)C2)cs1 ZINC000296851609 353830004 /nfs/dbraw/zinc/83/00/04/353830004.db2.gz UIYQFQRDBBVVNK-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO c1ccc([C@@H]2CCCN2c2cccc[nH+]2)cc1 ZINC000296896504 386208931 /nfs/dbraw/zinc/20/89/31/386208931.db2.gz XMOIWHOJBSYTMV-AWEZNQCLSA-N 1 2 224.307 3.423 20 0 BGADLO c1ccc([C@H]2CCCN2c2cccc[nH+]2)cc1 ZINC000296896507 183431006 /nfs/dbraw/zinc/43/10/06/183431006.db2.gz XMOIWHOJBSYTMV-CQSZACIVSA-N 1 2 224.307 3.423 20 0 BGADLO CC[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000296901772 353837207 /nfs/dbraw/zinc/83/72/07/353837207.db2.gz ZEYOWDYOPLWCFR-MRVPVSSYSA-N 1 2 230.764 3.028 20 0 BGADLO CC[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000296901772 353837204 /nfs/dbraw/zinc/83/72/04/353837204.db2.gz ZEYOWDYOPLWCFR-MRVPVSSYSA-N 1 2 230.764 3.028 20 0 BGADLO CC[C@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000296901775 353837288 /nfs/dbraw/zinc/83/72/88/353837288.db2.gz ZEYOWDYOPLWCFR-QMMMGPOBSA-N 1 2 230.764 3.028 20 0 BGADLO CC[C@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000296901775 353837286 /nfs/dbraw/zinc/83/72/86/353837286.db2.gz ZEYOWDYOPLWCFR-QMMMGPOBSA-N 1 2 230.764 3.028 20 0 BGADLO CC1(C)CCC[N@H+]1Cc1csc(Cl)n1 ZINC000296949760 359715882 /nfs/dbraw/zinc/71/58/82/359715882.db2.gz BZGJDJRVGQTCHD-UHFFFAOYSA-N 1 2 230.764 3.171 20 0 BGADLO CC1(C)CCC[N@@H+]1Cc1csc(Cl)n1 ZINC000296949760 359715876 /nfs/dbraw/zinc/71/58/76/359715876.db2.gz BZGJDJRVGQTCHD-UHFFFAOYSA-N 1 2 230.764 3.171 20 0 BGADLO COCC1CCC([NH2+]c2ccc(OC)cc2)CC1 ZINC000296953932 174119389 /nfs/dbraw/zinc/11/93/89/174119389.db2.gz QUWAAUJHXRRIHU-UHFFFAOYSA-N 1 2 249.354 3.312 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NC1(C(C)C)CC1 ZINC000296954593 386216095 /nfs/dbraw/zinc/21/60/95/386216095.db2.gz HPCGHWTWAFVAEO-UHFFFAOYSA-N 1 2 247.342 3.009 20 0 BGADLO CCn1cc[nH+]c1[C@H](C)Nc1ccc(F)cc1 ZINC000297118287 172229414 /nfs/dbraw/zinc/22/94/14/172229414.db2.gz YJVPZUIYVACJHO-JTQLQIEISA-N 1 2 233.290 3.215 20 0 BGADLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(F)cc1 ZINC000297118292 172229168 /nfs/dbraw/zinc/22/91/68/172229168.db2.gz YJVPZUIYVACJHO-SNVBAGLBSA-N 1 2 233.290 3.215 20 0 BGADLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(OC)c1 ZINC000297118446 172230197 /nfs/dbraw/zinc/23/01/97/172230197.db2.gz YKXWGTXMEKHFNV-LLVKDONJSA-N 1 2 245.326 3.085 20 0 BGADLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(OC)c1 ZINC000297118448 172229194 /nfs/dbraw/zinc/22/91/94/172229194.db2.gz YKXWGTXMEKHFNV-NSHDSACASA-N 1 2 245.326 3.085 20 0 BGADLO Cc1cscc1N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000297118486 388427773 /nfs/dbraw/zinc/42/77/73/388427773.db2.gz YLKNCZGBFNSWAC-NXEZZACHSA-N 1 2 233.340 3.371 20 0 BGADLO Cc1cscc1N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000297118487 388427214 /nfs/dbraw/zinc/42/72/14/388427214.db2.gz YLKNCZGBFNSWAC-UWVGGRQHSA-N 1 2 233.340 3.371 20 0 BGADLO Cc1cscc1N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000297118488 388428167 /nfs/dbraw/zinc/42/81/67/388428167.db2.gz YLKNCZGBFNSWAC-VHSXEESVSA-N 1 2 233.340 3.371 20 0 BGADLO Cc1cscc1N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000297118489 388428102 /nfs/dbraw/zinc/42/81/02/388428102.db2.gz YLKNCZGBFNSWAC-ZJUUUORDSA-N 1 2 233.340 3.371 20 0 BGADLO CCC1(CC)C[NH+](Cc2csc(C)n2)C1 ZINC000297452949 386257936 /nfs/dbraw/zinc/25/79/36/386257936.db2.gz PHUHBZPGLCSKBV-UHFFFAOYSA-N 1 2 224.373 3.074 20 0 BGADLO Cc1cc(NC(=O)NCC2=CCCCC2)cc[nH+]1 ZINC000297619127 178138431 /nfs/dbraw/zinc/13/84/31/178138431.db2.gz BOYQVGVAKLXYBN-UHFFFAOYSA-N 1 2 245.326 3.012 20 0 BGADLO CC1(C)CCC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000297629458 398344801 /nfs/dbraw/zinc/34/48/01/398344801.db2.gz WWZVBBMUWZRZPR-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO CC1(C)CCC[N@H+](Cc2csc(Cl)n2)C1 ZINC000297629458 398344800 /nfs/dbraw/zinc/34/48/00/398344800.db2.gz WWZVBBMUWZRZPR-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO CCC1(CC)CN(C(=O)Nc2cc[nH+]cc2C)C1 ZINC000297672885 386273930 /nfs/dbraw/zinc/27/39/30/386273930.db2.gz GCEHALISZXLZKM-UHFFFAOYSA-N 1 2 247.342 3.044 20 0 BGADLO COc1ccc([NH2+]CCC2CCOCC2)c(C)c1 ZINC000297747921 175150401 /nfs/dbraw/zinc/15/04/01/175150401.db2.gz OHALHIZXGWGNEV-UHFFFAOYSA-N 1 2 249.354 3.232 20 0 BGADLO COc1ccc([NH2+]CCc2cscn2)c(C)c1 ZINC000297762861 175150555 /nfs/dbraw/zinc/15/05/55/175150555.db2.gz OUBFKBHWKTVDJI-UHFFFAOYSA-N 1 2 248.351 3.115 20 0 BGADLO CCC1(CC)CN(C(=O)Nc2cc[nH+]c(C)c2)C1 ZINC000297829405 386282411 /nfs/dbraw/zinc/28/24/11/386282411.db2.gz REOJAWAIVFWXKT-UHFFFAOYSA-N 1 2 247.342 3.044 20 0 BGADLO CC/C(C)=C/c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000297842283 167826305 /nfs/dbraw/zinc/82/63/05/167826305.db2.gz SMDYAMNSMIMUHW-JXMROGBWSA-N 1 2 243.310 3.177 20 0 BGADLO CCC1(NC(=O)Nc2cc[nH+]cc2C)CCCC1 ZINC000297894004 168490853 /nfs/dbraw/zinc/49/08/53/168490853.db2.gz XCCPECADLINHJO-UHFFFAOYSA-N 1 2 247.342 3.234 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)NCC1=CCCCC1 ZINC000297927224 411483402 /nfs/dbraw/zinc/48/34/02/411483402.db2.gz ZUOJHVYEYFPTAQ-UHFFFAOYSA-N 1 2 245.326 3.012 20 0 BGADLO CCSc1cccc(C[NH2+]CC(F)F)c1 ZINC000298049652 386294699 /nfs/dbraw/zinc/29/46/99/386294699.db2.gz ILDIBVMSVMOZIH-UHFFFAOYSA-N 1 2 231.311 3.153 20 0 BGADLO CC(C)COc1ccc(C[NH2+]CC(F)F)cc1 ZINC000298169193 188395524 /nfs/dbraw/zinc/39/55/24/188395524.db2.gz UAMIKCFSJQVMLT-UHFFFAOYSA-N 1 2 243.297 3.076 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2cccc(C)c2C)o1 ZINC000298433551 386344600 /nfs/dbraw/zinc/34/46/00/386344600.db2.gz YNPQKMMYRZJCSM-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2cccc(C)c2C)o1 ZINC000298433551 386344595 /nfs/dbraw/zinc/34/45/95/386344595.db2.gz YNPQKMMYRZJCSM-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1CSC[C@H](C)O ZINC000298463964 388608222 /nfs/dbraw/zinc/60/82/22/388608222.db2.gz YXANGWLPQHUDPP-JTQLQIEISA-N 1 2 239.384 3.127 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1CSC[C@@H](C)O ZINC000298463967 179896081 /nfs/dbraw/zinc/89/60/81/179896081.db2.gz YXANGWLPQHUDPP-SNVBAGLBSA-N 1 2 239.384 3.127 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1CSCCCO ZINC000298463987 386348491 /nfs/dbraw/zinc/34/84/91/386348491.db2.gz YXCPRJUALBGPQR-UHFFFAOYSA-N 1 2 239.384 3.129 20 0 BGADLO CCOCCCCNc1ccc2ccccc2[nH+]1 ZINC000298720980 170370442 /nfs/dbraw/zinc/37/04/42/170370442.db2.gz KEDIUOAYMKKXJN-UHFFFAOYSA-N 1 2 244.338 3.463 20 0 BGADLO c1cn(Cc2csc(C3CCCCC3)n2)c[nH+]1 ZINC000298731199 386379871 /nfs/dbraw/zinc/37/98/71/386379871.db2.gz SJLJYXIKNVFQRQ-UHFFFAOYSA-N 1 2 247.367 3.436 20 0 BGADLO Cc1ccc(SCc2[nH+]ccn2C)cc1C ZINC000299064133 386407858 /nfs/dbraw/zinc/40/78/58/386407858.db2.gz VBAQWICAUCECLY-UHFFFAOYSA-N 1 2 232.352 3.329 20 0 BGADLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@H](C)C1 ZINC000299064744 176316842 /nfs/dbraw/zinc/31/68/42/176316842.db2.gz OKGDNWGQTYVLQY-GHMZBOCLSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](C)C1 ZINC000299064744 176316841 /nfs/dbraw/zinc/31/68/41/176316841.db2.gz OKGDNWGQTYVLQY-GHMZBOCLSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@H](C)C1 ZINC000299064747 176013938 /nfs/dbraw/zinc/01/39/38/176013938.db2.gz OKGDNWGQTYVLQY-MNOVXSKESA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](C)C1 ZINC000299064747 176013936 /nfs/dbraw/zinc/01/39/36/176013936.db2.gz OKGDNWGQTYVLQY-MNOVXSKESA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@@H](C)C1 ZINC000299064750 177273860 /nfs/dbraw/zinc/27/38/60/177273860.db2.gz OKGDNWGQTYVLQY-QWRGUYRKSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@@H](C)C1 ZINC000299064750 177273858 /nfs/dbraw/zinc/27/38/58/177273858.db2.gz OKGDNWGQTYVLQY-QWRGUYRKSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@H](c1cccc(Cl)c1)[N@H+]1CCO[C@H](C)C1 ZINC000299093070 176316509 /nfs/dbraw/zinc/31/65/09/176316509.db2.gz URJRGNNZIPJFBB-GHMZBOCLSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@H](C)C1 ZINC000299093070 176316508 /nfs/dbraw/zinc/31/65/08/176316508.db2.gz URJRGNNZIPJFBB-GHMZBOCLSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CCO[C@H](C)C1 ZINC000299093074 176017455 /nfs/dbraw/zinc/01/74/55/176017455.db2.gz URJRGNNZIPJFBB-MNOVXSKESA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@H](C)C1 ZINC000299093074 176017453 /nfs/dbraw/zinc/01/74/53/176017453.db2.gz URJRGNNZIPJFBB-MNOVXSKESA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CCO[C@@H](C)C1 ZINC000299093077 177273641 /nfs/dbraw/zinc/27/36/41/177273641.db2.gz URJRGNNZIPJFBB-QWRGUYRKSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@@H](C)C1 ZINC000299093077 177273640 /nfs/dbraw/zinc/27/36/40/177273640.db2.gz URJRGNNZIPJFBB-QWRGUYRKSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@H](c1cccc(Cl)c1)[N@H+]1CCO[C@@H](C)C1 ZINC000299093079 177275252 /nfs/dbraw/zinc/27/52/52/177275252.db2.gz URJRGNNZIPJFBB-WDEREUQCSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCO[C@@H](C)C1 ZINC000299093079 177275251 /nfs/dbraw/zinc/27/52/51/177275251.db2.gz URJRGNNZIPJFBB-WDEREUQCSA-N 1 2 239.746 3.122 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2cccc(C)c2)oc1C ZINC000299135164 179070294 /nfs/dbraw/zinc/07/02/94/179070294.db2.gz OZUGXHFGNNOPDP-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2cccc(C)c2)oc1C ZINC000299135164 179070292 /nfs/dbraw/zinc/07/02/92/179070292.db2.gz OZUGXHFGNNOPDP-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO CC(C)=CC[NH2+]C1(c2noc(C)n2)CCCCC1 ZINC000299248026 386431657 /nfs/dbraw/zinc/43/16/57/386431657.db2.gz AOMIGNHGGOFZSP-UHFFFAOYSA-N 1 2 249.358 3.093 20 0 BGADLO CC[C@H](C)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000299249670 171349892 /nfs/dbraw/zinc/34/98/92/171349892.db2.gz BHPOTCDLDROCCS-JTQLQIEISA-N 1 2 242.326 3.057 20 0 BGADLO CC[C@@H](C)Nc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000299249673 386431630 /nfs/dbraw/zinc/43/16/30/386431630.db2.gz BHPOTCDLDROCCS-SNVBAGLBSA-N 1 2 242.326 3.057 20 0 BGADLO CCN(Cc1cccs1)c1cccc[nH+]1 ZINC000299266056 352524263 /nfs/dbraw/zinc/52/42/63/352524263.db2.gz ONBSQRCIKSHWBT-UHFFFAOYSA-N 1 2 218.325 3.170 20 0 BGADLO Cc1cccc(SCc2[nH+]ccn2C)c1 ZINC000299322192 179177748 /nfs/dbraw/zinc/17/77/48/179177748.db2.gz ZQKPAKYLKJTORT-UHFFFAOYSA-N 1 2 218.325 3.021 20 0 BGADLO c1ccc([C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000299336358 386442775 /nfs/dbraw/zinc/44/27/75/386442775.db2.gz RVICEHJIRPHMAN-AWEZNQCLSA-N 1 2 224.307 3.076 20 0 BGADLO c1ccc([C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000299336362 386442337 /nfs/dbraw/zinc/44/23/37/386442337.db2.gz RVICEHJIRPHMAN-CQSZACIVSA-N 1 2 224.307 3.076 20 0 BGADLO Cc1nc(C[N@H+](Cc2ccco2)C(C)C)oc1C ZINC000299390060 386448235 /nfs/dbraw/zinc/44/82/35/386448235.db2.gz QYIWMTIYSQJREW-UHFFFAOYSA-N 1 2 248.326 3.295 20 0 BGADLO Cc1nc(C[N@@H+](Cc2ccco2)C(C)C)oc1C ZINC000299390060 386448229 /nfs/dbraw/zinc/44/82/29/386448229.db2.gz QYIWMTIYSQJREW-UHFFFAOYSA-N 1 2 248.326 3.295 20 0 BGADLO c1ccc(NCCCOC2CCCCC2)[nH+]c1 ZINC000299433614 386453307 /nfs/dbraw/zinc/45/33/07/386453307.db2.gz NZIHZOOPTFBVEN-UHFFFAOYSA-N 1 2 234.343 3.233 20 0 BGADLO CC(C)n1ccnc1C[N@@H+](C)Cc1ccccc1 ZINC000299557066 386465664 /nfs/dbraw/zinc/46/56/64/386465664.db2.gz DNEWWKCECWWTSD-UHFFFAOYSA-N 1 2 243.354 3.096 20 0 BGADLO CC(C)n1ccnc1C[N@H+](C)Cc1ccccc1 ZINC000299557066 386465657 /nfs/dbraw/zinc/46/56/57/386465657.db2.gz DNEWWKCECWWTSD-UHFFFAOYSA-N 1 2 243.354 3.096 20 0 BGADLO c1ccc(N2CCC(OC3CCCC3)CC2)[nH+]c1 ZINC000299612085 132222955 /nfs/dbraw/zinc/22/29/55/132222955.db2.gz SFTLTAQFWCAQAW-UHFFFAOYSA-N 1 2 246.354 3.010 20 0 BGADLO CC(C)n1cc[nH+]c1CN(C)Cc1cccs1 ZINC000299647491 386478007 /nfs/dbraw/zinc/47/80/07/386478007.db2.gz XGTSQKQYAWUCFO-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO CC(C)n1ccnc1C[N@@H+](C)Cc1cccs1 ZINC000299647491 386478004 /nfs/dbraw/zinc/47/80/04/386478004.db2.gz XGTSQKQYAWUCFO-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO CC(C)n1ccnc1C[N@H+](C)Cc1cccs1 ZINC000299647491 386477998 /nfs/dbraw/zinc/47/79/98/386477998.db2.gz XGTSQKQYAWUCFO-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO Cc1cn2cc(NC(=O)CCC(C)C)ccc2[nH+]1 ZINC000299662361 386477762 /nfs/dbraw/zinc/47/77/62/386477762.db2.gz PGCFSVOQJPGUHR-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO Cc1csc(C2([NH2+]Cc3ccco3)CCC2)n1 ZINC000299665441 386479564 /nfs/dbraw/zinc/47/95/64/386479564.db2.gz YOKXFIQXNZFHBK-UHFFFAOYSA-N 1 2 248.351 3.214 20 0 BGADLO CCCCCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000299665993 386479335 /nfs/dbraw/zinc/47/93/35/386479335.db2.gz QAGHZBGRFLWQGG-UHFFFAOYSA-N 1 2 245.326 3.162 20 0 BGADLO COc1ccccc1Nc1ccc[nH+]c1C ZINC000299805505 175340046 /nfs/dbraw/zinc/34/00/46/175340046.db2.gz QUTHVEZRAURWQB-UHFFFAOYSA-N 1 2 214.268 3.142 20 0 BGADLO Cc1cc(N)nc(SC[C@H](C)CC(C)C)[nH+]1 ZINC000300837922 226372226 /nfs/dbraw/zinc/37/22/26/226372226.db2.gz CVQMNNIMZPDHDY-SECBINFHSA-N 1 2 239.388 3.142 20 0 BGADLO Cc1cc(N)nc(SC[C@@H](C)CC(C)C)[nH+]1 ZINC000300837923 226372317 /nfs/dbraw/zinc/37/23/17/226372317.db2.gz CVQMNNIMZPDHDY-VIFPVBQESA-N 1 2 239.388 3.142 20 0 BGADLO CCCCN(C)c1ccc2ccccc2[nH+]1 ZINC000301055353 386813513 /nfs/dbraw/zinc/81/35/13/386813513.db2.gz CGDOLTCGHJEZKD-UHFFFAOYSA-N 1 2 214.312 3.471 20 0 BGADLO CCc1ccc(CN(C)c2cccc[nH+]2)cc1 ZINC000301055481 386812333 /nfs/dbraw/zinc/81/23/33/386812333.db2.gz CSYWSTOFEKDJJB-UHFFFAOYSA-N 1 2 226.323 3.280 20 0 BGADLO Cc1cc(N2CCCCCC2)nc(C(C)C)[nH+]1 ZINC000301056887 178113484 /nfs/dbraw/zinc/11/34/84/178113484.db2.gz HVSWKTANWFKVOW-UHFFFAOYSA-N 1 2 233.359 3.289 20 0 BGADLO Cc1cc(Nc2ccc3c(c2)CCC3)nc(C)[nH+]1 ZINC000301057531 178192475 /nfs/dbraw/zinc/19/24/75/178192475.db2.gz BKVZLKCVUXCKEQ-UHFFFAOYSA-N 1 2 239.322 3.326 20 0 BGADLO CC(C)OCCCNc1ccc2ccccc2[nH+]1 ZINC000301060544 167225111 /nfs/dbraw/zinc/22/51/11/167225111.db2.gz QKUVNHRVCHZYBS-UHFFFAOYSA-N 1 2 244.338 3.462 20 0 BGADLO c1ccc(C[C@@H]2CCCN2c2cccc[nH+]2)cc1 ZINC000301061224 386815462 /nfs/dbraw/zinc/81/54/62/386815462.db2.gz DMTSVHCPRGBFFL-HNNXBMFYSA-N 1 2 238.334 3.293 20 0 BGADLO c1ccc(C[C@H]2CCCN2c2cccc[nH+]2)cc1 ZINC000301061225 183410239 /nfs/dbraw/zinc/41/02/39/183410239.db2.gz DMTSVHCPRGBFFL-OAHLLOKOSA-N 1 2 238.334 3.293 20 0 BGADLO Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301062632 132250894 /nfs/dbraw/zinc/25/08/94/132250894.db2.gz MTUPIHGWARNTMR-RYUDHWBXSA-N 1 2 247.386 3.391 20 0 BGADLO Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301062634 132250700 /nfs/dbraw/zinc/25/07/00/132250700.db2.gz MTUPIHGWARNTMR-TXEJJXNPSA-N 1 2 247.386 3.391 20 0 BGADLO Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301062636 132250650 /nfs/dbraw/zinc/25/06/50/132250650.db2.gz MTUPIHGWARNTMR-VXGBXAGGSA-N 1 2 247.386 3.391 20 0 BGADLO Cc1cc(C)cc(Nc2cc(C)[nH+]c(C)n2)c1 ZINC000301068415 386815706 /nfs/dbraw/zinc/81/57/06/386815706.db2.gz HXAOPHOBLIMPEC-UHFFFAOYSA-N 1 2 227.311 3.454 20 0 BGADLO C[C@H](c1ccc(F)cc1)N(C)c1cccc[nH+]1 ZINC000301069185 177034294 /nfs/dbraw/zinc/03/42/94/177034294.db2.gz DLQCEDXVGFNWMR-LLVKDONJSA-N 1 2 230.286 3.418 20 0 BGADLO C[C@@H](c1ccc(F)cc1)N(C)c1cccc[nH+]1 ZINC000301069188 176015294 /nfs/dbraw/zinc/01/52/94/176015294.db2.gz DLQCEDXVGFNWMR-NSHDSACASA-N 1 2 230.286 3.418 20 0 BGADLO Cc1cc(N2CCC[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301069481 132250886 /nfs/dbraw/zinc/25/08/86/132250886.db2.gz SKDHLQIREDXULH-LLVKDONJSA-N 1 2 233.359 3.145 20 0 BGADLO Cc1cc(N2CCC[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301069483 132250731 /nfs/dbraw/zinc/25/07/31/132250731.db2.gz SKDHLQIREDXULH-NSHDSACASA-N 1 2 233.359 3.145 20 0 BGADLO CCOc1ccc(Nc2cc(C)[nH+]c(C)n2)cc1 ZINC000301070342 386815988 /nfs/dbraw/zinc/81/59/88/386815988.db2.gz IMVVKSHRHVXQHR-UHFFFAOYSA-N 1 2 243.310 3.236 20 0 BGADLO Cc1cc(N2CCC(C)CC2)nc(C(C)C)[nH+]1 ZINC000301071342 132250726 /nfs/dbraw/zinc/25/07/26/132250726.db2.gz VGYOAODKCLJDPK-UHFFFAOYSA-N 1 2 233.359 3.145 20 0 BGADLO Cc1cc(N2CCCC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301074772 132251102 /nfs/dbraw/zinc/25/11/02/132251102.db2.gz XZIIFQVCVFTPKE-GFCCVEGCSA-N 1 2 233.359 3.287 20 0 BGADLO Cc1cc(N2CCCC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301074774 132251291 /nfs/dbraw/zinc/25/12/91/132251291.db2.gz XZIIFQVCVFTPKE-LBPRGKRZSA-N 1 2 233.359 3.287 20 0 BGADLO c1ccc2[nH+]c(N3CCCCCCC3)[nH]c2c1 ZINC000301075100 386814998 /nfs/dbraw/zinc/81/49/98/386814998.db2.gz PEGUYJQLLCQNKD-UHFFFAOYSA-N 1 2 229.327 3.333 20 0 BGADLO Cc1cc(N(C)CC(C)C)nc(C(C)C)[nH+]1 ZINC000301091856 178097730 /nfs/dbraw/zinc/09/77/30/178097730.db2.gz LGBOMKWBGKBYHN-UHFFFAOYSA-N 1 2 221.348 3.001 20 0 BGADLO CN(CCCc1ccccc1)c1cccc[nH+]1 ZINC000301094215 386644641 /nfs/dbraw/zinc/64/46/41/386644641.db2.gz MDKUOABRCIAWGD-UHFFFAOYSA-N 1 2 226.323 3.151 20 0 BGADLO CCCN(C)c1ccc2ccccc2[nH+]1 ZINC000301098148 169087924 /nfs/dbraw/zinc/08/79/24/169087924.db2.gz NBRVCOFDJTYYGT-UHFFFAOYSA-N 1 2 200.285 3.081 20 0 BGADLO CN(Cc1ccsc1)c1[nH]c2ccccc2[nH+]1 ZINC000301098763 386644092 /nfs/dbraw/zinc/64/40/92/386644092.db2.gz XDWCWCJGOHKWGA-UHFFFAOYSA-N 1 2 243.335 3.261 20 0 BGADLO CCCCN(CC)c1[nH]c2ccccc2[nH+]1 ZINC000301103678 386818672 /nfs/dbraw/zinc/81/86/72/386818672.db2.gz ZTMFJPNFKCNHAE-UHFFFAOYSA-N 1 2 217.316 3.189 20 0 BGADLO CN(c1cccc[nH+]1)[C@H]1CCc2ccccc21 ZINC000301103701 386645173 /nfs/dbraw/zinc/64/51/73/386645173.db2.gz ZVZOEVKPBOMYGR-AWEZNQCLSA-N 1 2 224.307 3.205 20 0 BGADLO CN(c1cccc[nH+]1)[C@@H]1CCc2ccccc21 ZINC000301103703 386818595 /nfs/dbraw/zinc/81/85/95/386818595.db2.gz ZVZOEVKPBOMYGR-CQSZACIVSA-N 1 2 224.307 3.205 20 0 BGADLO C[C@@H](Cc1ccccc1F)Nc1cccc[nH+]1 ZINC000301105691 386817907 /nfs/dbraw/zinc/81/79/07/386817907.db2.gz UBVSWKWBTXYJNL-NSHDSACASA-N 1 2 230.286 3.264 20 0 BGADLO Fc1ccc2c(c1)CC[C@H]2Nc1cccc[nH+]1 ZINC000301108222 386817763 /nfs/dbraw/zinc/81/77/63/386817763.db2.gz RGSOHTLXIGVQMF-CYBMUJFWSA-N 1 2 228.270 3.320 20 0 BGADLO Fc1ccc2c(c1)CC[C@@H]2Nc1cccc[nH+]1 ZINC000301108224 386818812 /nfs/dbraw/zinc/81/88/12/386818812.db2.gz RGSOHTLXIGVQMF-ZDUSSCGKSA-N 1 2 228.270 3.320 20 0 BGADLO CC(C)CN(C)c1ccc2ccccc2[nH+]1 ZINC000301114117 356499849 /nfs/dbraw/zinc/49/98/49/356499849.db2.gz TWKXDAJRTLQKQK-UHFFFAOYSA-N 1 2 214.312 3.327 20 0 BGADLO CN(CC1CC1)c1ccc2ccccc2[nH+]1 ZINC000301116618 386818577 /nfs/dbraw/zinc/81/85/77/386818577.db2.gz XXEFPVWJCYQERV-UHFFFAOYSA-N 1 2 212.296 3.081 20 0 BGADLO Cc1cc(N2C[C@H](C)c3ccccc32)nc(C)[nH+]1 ZINC000301122879 178122189 /nfs/dbraw/zinc/12/21/89/178122189.db2.gz YAXTXASLEFBQLU-JTQLQIEISA-N 1 2 239.322 3.349 20 0 BGADLO Cc1cc(N2C[C@@H](C)c3ccccc32)nc(C)[nH+]1 ZINC000301122880 178120548 /nfs/dbraw/zinc/12/05/48/178120548.db2.gz YAXTXASLEFBQLU-SNVBAGLBSA-N 1 2 239.322 3.349 20 0 BGADLO CCc1nc(CCNc2cccc[nH+]2)sc1C ZINC000301137463 356503026 /nfs/dbraw/zinc/50/30/26/356503026.db2.gz CIZRMVXUPCZODF-UHFFFAOYSA-N 1 2 247.367 3.064 20 0 BGADLO CCOc1ccc(CNc2cccc[nH+]2)cc1F ZINC000301166065 386821289 /nfs/dbraw/zinc/82/12/89/386821289.db2.gz HVBJOQFESYLRCK-UHFFFAOYSA-N 1 2 246.285 3.232 20 0 BGADLO CCCCCCNc1cc[nH+]c(C2CC2)n1 ZINC000301173148 384863744 /nfs/dbraw/zinc/86/37/44/384863744.db2.gz HEAKLMLEYGEZLA-UHFFFAOYSA-N 1 2 219.332 3.346 20 0 BGADLO Cc1cc(N(C)CC(C)(C)C)nc(C(C)C)[nH+]1 ZINC000301176034 178096510 /nfs/dbraw/zinc/09/65/10/178096510.db2.gz ZCKSLUJBIQTGQQ-UHFFFAOYSA-N 1 2 235.375 3.391 20 0 BGADLO CC(C)c1nc(NCCc2ccccc2)cc[nH+]1 ZINC000301186176 386822520 /nfs/dbraw/zinc/82/25/20/386822520.db2.gz SIAULUFGTHJWQS-UHFFFAOYSA-N 1 2 241.338 3.255 20 0 BGADLO Fc1ccc2c(c1)[C@H](Nc1cccc[nH+]1)CC2 ZINC000301186374 386823117 /nfs/dbraw/zinc/82/31/17/386823117.db2.gz KCSQMPNFHAAZSY-CYBMUJFWSA-N 1 2 228.270 3.320 20 0 BGADLO Fc1ccc2c(c1)[C@@H](Nc1cccc[nH+]1)CC2 ZINC000301186375 386823421 /nfs/dbraw/zinc/82/34/21/386823421.db2.gz KCSQMPNFHAAZSY-ZDUSSCGKSA-N 1 2 228.270 3.320 20 0 BGADLO COc1ccc(CN(C)c2cccc[nH+]2)cc1C ZINC000301186462 323312358 /nfs/dbraw/zinc/31/23/58/323312358.db2.gz JVLYHGMRCITGRB-UHFFFAOYSA-N 1 2 242.322 3.035 20 0 BGADLO COc1cc(Cl)ccc1CNc1cccc[nH+]1 ZINC000301213722 386825502 /nfs/dbraw/zinc/82/55/02/386825502.db2.gz YQVIIHMCWHBZQF-UHFFFAOYSA-N 1 2 248.713 3.356 20 0 BGADLO Cc1cc(N2CCC[C@H]2C2CCCCC2)nc[nH+]1 ZINC000301220741 178115806 /nfs/dbraw/zinc/11/58/06/178115806.db2.gz AUYDPTBZYUAQBD-AWEZNQCLSA-N 1 2 245.370 3.334 20 0 BGADLO Cc1cc(N2CCC[C@@H]2C2CCCCC2)nc[nH+]1 ZINC000301220742 178114646 /nfs/dbraw/zinc/11/46/46/178114646.db2.gz AUYDPTBZYUAQBD-CQSZACIVSA-N 1 2 245.370 3.334 20 0 BGADLO CC[C@H](CNc1cc(C)[nH+]cn1)c1ccccc1 ZINC000301220970 386826302 /nfs/dbraw/zinc/82/63/02/386826302.db2.gz ADMDMFMDFBSZPP-CYBMUJFWSA-N 1 2 241.338 3.391 20 0 BGADLO CC[C@@H](CNc1cc(C)[nH+]cn1)c1ccccc1 ZINC000301220971 386824772 /nfs/dbraw/zinc/82/47/72/386824772.db2.gz ADMDMFMDFBSZPP-ZDUSSCGKSA-N 1 2 241.338 3.391 20 0 BGADLO Cc1cc(N[C@@H]2CCc3cc(F)ccc32)nc[nH+]1 ZINC000301221369 178183313 /nfs/dbraw/zinc/18/33/13/178183313.db2.gz AKSHIQGRLWKTRX-CYBMUJFWSA-N 1 2 243.285 3.024 20 0 BGADLO Cc1cc(N[C@H]2CCc3cc(F)ccc32)nc[nH+]1 ZINC000301221372 178190354 /nfs/dbraw/zinc/19/03/54/178190354.db2.gz AKSHIQGRLWKTRX-ZDUSSCGKSA-N 1 2 243.285 3.024 20 0 BGADLO c1cc(NCCC2CCCC2)nc(C2CC2)[nH+]1 ZINC000301221416 183356953 /nfs/dbraw/zinc/35/69/53/183356953.db2.gz ANBXCXYEVFLDDJ-UHFFFAOYSA-N 1 2 231.343 3.346 20 0 BGADLO C[C@H]1CCC[C@H](N(C)c2cc[nH+]c(C3CC3)n2)C1 ZINC000301221689 177135453 /nfs/dbraw/zinc/13/54/53/177135453.db2.gz AROZJICCJUBDHM-AAEUAGOBSA-N 1 2 245.370 3.369 20 0 BGADLO C[C@@H]1CCC[C@@H](N(C)c2cc[nH+]c(C3CC3)n2)C1 ZINC000301221690 176120874 /nfs/dbraw/zinc/12/08/74/176120874.db2.gz AROZJICCJUBDHM-DGCLKSJQSA-N 1 2 245.370 3.369 20 0 BGADLO C[C@H]1CCC[C@@H](N(C)c2cc[nH+]c(C3CC3)n2)C1 ZINC000301221691 177121242 /nfs/dbraw/zinc/12/12/42/177121242.db2.gz AROZJICCJUBDHM-WCQYABFASA-N 1 2 245.370 3.369 20 0 BGADLO C[C@@H]1CCC[C@H](N(C)c2cc[nH+]c(C3CC3)n2)C1 ZINC000301221692 176140347 /nfs/dbraw/zinc/14/03/47/176140347.db2.gz AROZJICCJUBDHM-YPMHNXCESA-N 1 2 245.370 3.369 20 0 BGADLO Cc1cc(N2CCC[C@H]2c2ccccc2)nc[nH+]1 ZINC000301223850 178116177 /nfs/dbraw/zinc/11/61/77/178116177.db2.gz CEQXYCOESNSWCT-AWEZNQCLSA-N 1 2 239.322 3.127 20 0 BGADLO Cc1cc(N2CCC[C@@H]2c2ccccc2)nc[nH+]1 ZINC000301223851 178115068 /nfs/dbraw/zinc/11/50/68/178115068.db2.gz CEQXYCOESNSWCT-CQSZACIVSA-N 1 2 239.322 3.127 20 0 BGADLO Cc1cc(N[C@@H](C)c2ccc(F)c(F)c2)nc[nH+]1 ZINC000301223903 178179335 /nfs/dbraw/zinc/17/93/35/178179335.db2.gz CHWGHFCHHNBUNC-VIFPVBQESA-N 1 2 249.264 3.236 20 0 BGADLO CC[C@H](Nc1cc(C)[nH+]cn1)c1nc(C)cs1 ZINC000301227592 386824919 /nfs/dbraw/zinc/82/49/19/386824919.db2.gz CRBHBXXZLNOUBF-JTQLQIEISA-N 1 2 248.355 3.113 20 0 BGADLO CC[C@@H](Nc1cc(C)[nH+]cn1)c1nc(C)cs1 ZINC000301227593 356511397 /nfs/dbraw/zinc/51/13/97/356511397.db2.gz CRBHBXXZLNOUBF-SNVBAGLBSA-N 1 2 248.355 3.113 20 0 BGADLO Cc1cc(N(Cc2cccs2)C2CC2)nc[nH+]1 ZINC000301229818 178101638 /nfs/dbraw/zinc/10/16/38/178101638.db2.gz AAZJTQOTFALWNZ-UHFFFAOYSA-N 1 2 245.351 3.016 20 0 BGADLO Cc1cc(N[C@@H]2CCc3ccc(F)cc32)nc[nH+]1 ZINC000301230384 178183155 /nfs/dbraw/zinc/18/31/55/178183155.db2.gz FELRWCTXTAYZRA-CYBMUJFWSA-N 1 2 243.285 3.024 20 0 BGADLO Cc1cc(N[C@H]2CCc3ccc(F)cc32)nc[nH+]1 ZINC000301230385 178190298 /nfs/dbraw/zinc/19/02/98/178190298.db2.gz FELRWCTXTAYZRA-ZDUSSCGKSA-N 1 2 243.285 3.024 20 0 BGADLO Cc1cc(N(C)CCC2CCCCC2)nc[nH+]1 ZINC000301231015 178098500 /nfs/dbraw/zinc/09/85/00/178098500.db2.gz HOPMHQOFGCAIFL-UHFFFAOYSA-N 1 2 233.359 3.192 20 0 BGADLO Cc1ccc(CCNc2cc(C)[nH+]cn2)c(C)c1 ZINC000301232107 386824288 /nfs/dbraw/zinc/82/42/88/386824288.db2.gz IDDTVPJWUFBHRT-UHFFFAOYSA-N 1 2 241.338 3.056 20 0 BGADLO CC[C@@H](C)[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000301232988 384867591 /nfs/dbraw/zinc/86/75/91/384867591.db2.gz KBMXIEKOLFPSDK-NXEZZACHSA-N 1 2 219.332 3.201 20 0 BGADLO CC[C@H](C)[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000301232989 171391411 /nfs/dbraw/zinc/39/14/11/171391411.db2.gz KBMXIEKOLFPSDK-UWVGGRQHSA-N 1 2 219.332 3.201 20 0 BGADLO CC[C@H](C)[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000301232990 171368049 /nfs/dbraw/zinc/36/80/49/171368049.db2.gz KBMXIEKOLFPSDK-VHSXEESVSA-N 1 2 219.332 3.201 20 0 BGADLO CC[C@@H](C)[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000301232991 384867283 /nfs/dbraw/zinc/86/72/83/384867283.db2.gz KBMXIEKOLFPSDK-ZJUUUORDSA-N 1 2 219.332 3.201 20 0 BGADLO Cc1cc(N(C)Cc2ccc(Cl)cc2)nc[nH+]1 ZINC000301233150 386826417 /nfs/dbraw/zinc/82/64/17/386826417.db2.gz IUPCKXKNHUZYHP-UHFFFAOYSA-N 1 2 247.729 3.075 20 0 BGADLO Cc1cc(NCc2cc3ccccc3o2)nc[nH+]1 ZINC000301233760 178171579 /nfs/dbraw/zinc/17/15/79/178171579.db2.gz JBVDWHTVKNYZJR-UHFFFAOYSA-N 1 2 239.278 3.143 20 0 BGADLO Cc1ccc(CNc2cc(C)[nH+]cn2)c(C)c1 ZINC000301234351 386825898 /nfs/dbraw/zinc/82/58/98/386825898.db2.gz JKUHGAWJCNIEQD-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1cc(NCCCCC(C)(C)C)nc[nH+]1 ZINC000301235235 178158271 /nfs/dbraw/zinc/15/82/71/178158271.db2.gz HGTWZZGZFBLHPT-UHFFFAOYSA-N 1 2 221.348 3.413 20 0 BGADLO Cc1ccc([C@@H](C)N(C)c2cc(C)[nH+]cn2)cc1 ZINC000301238247 386824647 /nfs/dbraw/zinc/82/46/47/386824647.db2.gz DZQDVOHITSGOAQ-CYBMUJFWSA-N 1 2 241.338 3.291 20 0 BGADLO Cc1ccc([C@H](C)N(C)c2cc(C)[nH+]cn2)cc1 ZINC000301238248 386826123 /nfs/dbraw/zinc/82/61/23/386826123.db2.gz DZQDVOHITSGOAQ-ZDUSSCGKSA-N 1 2 241.338 3.291 20 0 BGADLO CSc1ccc(CNc2cc(C)[nH+]cn2)cc1 ZINC000301239077 187371200 /nfs/dbraw/zinc/37/12/00/187371200.db2.gz LPMIPOZZDWRRRR-UHFFFAOYSA-N 1 2 245.351 3.119 20 0 BGADLO Cc1cc(N(CC2CC2)C2CCCCC2)nc[nH+]1 ZINC000301239405 178102619 /nfs/dbraw/zinc/10/26/19/178102619.db2.gz NHPMGPZGVBEXJV-UHFFFAOYSA-N 1 2 245.370 3.334 20 0 BGADLO Cc1cc(N(C)Cc2cccc(Cl)c2)nc[nH+]1 ZINC000301239892 187544587 /nfs/dbraw/zinc/54/45/87/187544587.db2.gz LZMZMSVZNHCKAA-UHFFFAOYSA-N 1 2 247.729 3.075 20 0 BGADLO Cc1cc(N[C@@H]2c3ccccc3C[C@H]2C)nc[nH+]1 ZINC000301241020 178184155 /nfs/dbraw/zinc/18/41/55/178184155.db2.gz NXIWYQITALYTJG-BMIGLBTASA-N 1 2 239.322 3.130 20 0 BGADLO Cc1cc(N[C@@H]2c3ccccc3C[C@@H]2C)nc[nH+]1 ZINC000301241022 178184598 /nfs/dbraw/zinc/18/45/98/178184598.db2.gz NXIWYQITALYTJG-BONVTDFDSA-N 1 2 239.322 3.130 20 0 BGADLO Cc1cc(N[C@H]2c3ccccc3C[C@H]2C)nc[nH+]1 ZINC000301241024 178191461 /nfs/dbraw/zinc/19/14/61/178191461.db2.gz NXIWYQITALYTJG-MEBBXXQBSA-N 1 2 239.322 3.130 20 0 BGADLO Cc1cc(N[C@H]2c3ccccc3C[C@@H]2C)nc[nH+]1 ZINC000301241025 178192536 /nfs/dbraw/zinc/19/25/36/178192536.db2.gz NXIWYQITALYTJG-ZUZCIYMTSA-N 1 2 239.322 3.130 20 0 BGADLO Cc1cc(N[C@@H](c2ccccc2)C2CC2)nc[nH+]1 ZINC000301241195 178180499 /nfs/dbraw/zinc/18/04/99/178180499.db2.gz MMVVKHKCAFWDGH-HNNXBMFYSA-N 1 2 239.322 3.348 20 0 BGADLO Cc1cc(N[C@H](c2ccccc2)C2CC2)nc[nH+]1 ZINC000301241196 178187464 /nfs/dbraw/zinc/18/74/64/178187464.db2.gz MMVVKHKCAFWDGH-OAHLLOKOSA-N 1 2 239.322 3.348 20 0 BGADLO Cc1nc(C[NH2+]C(C)(C)c2ccccc2)oc1C ZINC000301242284 387258103 /nfs/dbraw/zinc/25/81/03/387258103.db2.gz SQMVEOVXMKCCIR-UHFFFAOYSA-N 1 2 244.338 3.316 20 0 BGADLO Cc1cc(N(C)[C@H](C)c2ccc(F)cc2)nc[nH+]1 ZINC000301245498 178099859 /nfs/dbraw/zinc/09/98/59/178099859.db2.gz HLAXIPJDRZLARY-LLVKDONJSA-N 1 2 245.301 3.122 20 0 BGADLO Cc1cc(N(C)[C@@H](C)c2ccc(F)cc2)nc[nH+]1 ZINC000301245499 178101192 /nfs/dbraw/zinc/10/11/92/178101192.db2.gz HLAXIPJDRZLARY-NSHDSACASA-N 1 2 245.301 3.122 20 0 BGADLO CC(C)CCN(c1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000301246261 386828734 /nfs/dbraw/zinc/82/87/34/386828734.db2.gz HRYQBVZCTMMRPR-UHFFFAOYSA-N 1 2 245.370 3.369 20 0 BGADLO Cc1cc(N(C)Cc2ccccc2Cl)nc[nH+]1 ZINC000301246482 187371186 /nfs/dbraw/zinc/37/11/86/187371186.db2.gz OGNLCVQRMBIDKG-UHFFFAOYSA-N 1 2 247.729 3.075 20 0 BGADLO CN(CCc1ccc(Cl)cc1)c1cccc[nH+]1 ZINC000301248804 386828492 /nfs/dbraw/zinc/82/84/92/386828492.db2.gz CJHPUWMUJHTGSL-UHFFFAOYSA-N 1 2 246.741 3.414 20 0 BGADLO Cc1cc(N(C)C2CCCCCCC2)nc[nH+]1 ZINC000301249413 178096900 /nfs/dbraw/zinc/09/69/00/178096900.db2.gz IUQUSPVOSYJLED-UHFFFAOYSA-N 1 2 233.359 3.334 20 0 BGADLO Cc1cc(N(C)CC2CCC2)nc(C(C)C)[nH+]1 ZINC000301252584 178096838 /nfs/dbraw/zinc/09/68/38/178096838.db2.gz MVSYFYFBDRBQAU-UHFFFAOYSA-N 1 2 233.359 3.145 20 0 BGADLO CC(C)c1nc(N2CCCCC[C@H]2C)cc[nH+]1 ZINC000301252978 187371156 /nfs/dbraw/zinc/37/11/56/187371156.db2.gz DRMZCOAXCBOPHG-GFCCVEGCSA-N 1 2 233.359 3.369 20 0 BGADLO CC(C)c1nc(N2CCCCC[C@@H]2C)cc[nH+]1 ZINC000301252980 386827863 /nfs/dbraw/zinc/82/78/63/386827863.db2.gz DRMZCOAXCBOPHG-LBPRGKRZSA-N 1 2 233.359 3.369 20 0 BGADLO Cc1cc(N2CCC[C@@H]2CC(C)(C)C)nc[nH+]1 ZINC000301253214 178115393 /nfs/dbraw/zinc/11/53/93/178115393.db2.gz SMQUPKDBXNKKNF-GFCCVEGCSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1cc(N2CCC[C@H]2CC(C)(C)C)nc[nH+]1 ZINC000301253217 178115842 /nfs/dbraw/zinc/11/58/42/178115842.db2.gz SMQUPKDBXNKKNF-LBPRGKRZSA-N 1 2 233.359 3.190 20 0 BGADLO CN(CC1CCC1)c1ccc2ccccc2[nH+]1 ZINC000301253534 386829540 /nfs/dbraw/zinc/82/95/40/386829540.db2.gz NBKTVSZNMVKBCT-UHFFFAOYSA-N 1 2 226.323 3.471 20 0 BGADLO c1csc(C2=CCN(c3cccc[nH+]3)CC2)c1 ZINC000301254792 132252059 /nfs/dbraw/zinc/25/20/59/132252059.db2.gz BFBGMCVUCWVMAK-UHFFFAOYSA-N 1 2 242.347 3.437 20 0 BGADLO Cc1cc(C)c(CNc2cc(C)[nH+]cn2)c(C)c1 ZINC000301265479 386829257 /nfs/dbraw/zinc/82/92/57/386829257.db2.gz TZKJNXVHWHRDEU-UHFFFAOYSA-N 1 2 241.338 3.322 20 0 BGADLO Cc1cc(NCCc2ccccc2Cl)nc[nH+]1 ZINC000301265541 178163080 /nfs/dbraw/zinc/16/30/80/178163080.db2.gz UAMQIAVPASKBSI-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO CC(C)[C@@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000301269072 187206467 /nfs/dbraw/zinc/20/64/67/187206467.db2.gz HEIYHKUFJOPSNG-CYBMUJFWSA-N 1 2 218.344 3.344 20 0 BGADLO CC(C)[C@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000301269077 187371128 /nfs/dbraw/zinc/37/11/28/187371128.db2.gz HEIYHKUFJOPSNG-ZDUSSCGKSA-N 1 2 218.344 3.344 20 0 BGADLO CC[C@@H](C)[C@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000301270703 386831710 /nfs/dbraw/zinc/83/17/10/386831710.db2.gz XNTISUNSMUWWAL-BXUZGUMPSA-N 1 2 244.338 3.054 20 0 BGADLO CC[C@H](C)[C@@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000301270704 171378548 /nfs/dbraw/zinc/37/85/48/171378548.db2.gz XNTISUNSMUWWAL-FZMZJTMJSA-N 1 2 244.338 3.054 20 0 BGADLO CC[C@@H](C)[C@@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000301270705 386831265 /nfs/dbraw/zinc/83/12/65/386831265.db2.gz XNTISUNSMUWWAL-RISCZKNCSA-N 1 2 244.338 3.054 20 0 BGADLO CC[C@H](C)[C@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000301270706 386832380 /nfs/dbraw/zinc/83/23/80/386832380.db2.gz XNTISUNSMUWWAL-SMDDNHRTSA-N 1 2 244.338 3.054 20 0 BGADLO Cc1cc(NC[C@@H]2C[C@H]2c2ccccc2)nc[nH+]1 ZINC000301272050 178167244 /nfs/dbraw/zinc/16/72/44/178167244.db2.gz RDDKDBDCQCMJAD-KBPBESRZSA-N 1 2 239.322 3.001 20 0 BGADLO Cc1cc(NC[C@H]2C[C@H]2c2ccccc2)nc[nH+]1 ZINC000301272052 178170137 /nfs/dbraw/zinc/17/01/37/178170137.db2.gz RDDKDBDCQCMJAD-KGLIPLIRSA-N 1 2 239.322 3.001 20 0 BGADLO Cc1cc(NC[C@@H]2C[C@@H]2c2ccccc2)nc[nH+]1 ZINC000301272053 178167655 /nfs/dbraw/zinc/16/76/55/178167655.db2.gz RDDKDBDCQCMJAD-UONOGXRCSA-N 1 2 239.322 3.001 20 0 BGADLO Cc1cc(NC[C@H]2C[C@@H]2c2ccccc2)nc[nH+]1 ZINC000301272055 178170226 /nfs/dbraw/zinc/17/02/26/178170226.db2.gz RDDKDBDCQCMJAD-ZIAGYGMSSA-N 1 2 239.322 3.001 20 0 BGADLO c1cc(NC2CCCCCC2)nc(C2CC2)[nH+]1 ZINC000301275888 183356678 /nfs/dbraw/zinc/35/66/78/183356678.db2.gz WMVJVSZJMTYSKV-UHFFFAOYSA-N 1 2 231.343 3.489 20 0 BGADLO Cc1cc(N2CCC3(CCCCC3)CC2)nc[nH+]1 ZINC000301278370 132252590 /nfs/dbraw/zinc/25/25/90/132252590.db2.gz WWYUZWMZINIDAM-UHFFFAOYSA-N 1 2 245.370 3.336 20 0 BGADLO Cc1cc(N(C)[C@@H](C)c2cccs2)nc[nH+]1 ZINC000301280187 178101118 /nfs/dbraw/zinc/10/11/18/178101118.db2.gz PUZFRPCMJMRWCG-JTQLQIEISA-N 1 2 233.340 3.044 20 0 BGADLO Cc1cc(N(C)[C@H](C)c2cccs2)nc[nH+]1 ZINC000301280189 178099801 /nfs/dbraw/zinc/09/98/01/178099801.db2.gz PUZFRPCMJMRWCG-SNVBAGLBSA-N 1 2 233.340 3.044 20 0 BGADLO CCc1ccc(CCNc2cc(C)[nH+]cn2)cc1 ZINC000301281313 386830293 /nfs/dbraw/zinc/83/02/93/386830293.db2.gz OIDVBHXABJLNPO-UHFFFAOYSA-N 1 2 241.338 3.002 20 0 BGADLO c1ccc([C@@H]2C[C@@H]2CNc2cccc[nH+]2)cc1 ZINC000301281401 386831247 /nfs/dbraw/zinc/83/12/47/386831247.db2.gz TZUXKWANLCVMSD-KGLIPLIRSA-N 1 2 224.307 3.297 20 0 BGADLO c1ccc([C@H]2C[C@H]2CNc2cccc[nH+]2)cc1 ZINC000301281404 386832301 /nfs/dbraw/zinc/83/23/01/386832301.db2.gz TZUXKWANLCVMSD-UONOGXRCSA-N 1 2 224.307 3.297 20 0 BGADLO c1ccc([C@H]2C[C@@H]2CNc2cccc[nH+]2)cc1 ZINC000301281407 386830130 /nfs/dbraw/zinc/83/01/30/386830130.db2.gz TZUXKWANLCVMSD-ZIAGYGMSSA-N 1 2 224.307 3.297 20 0 BGADLO Cc1cc(NCCc2cccc(Cl)c2)nc[nH+]1 ZINC000301283999 178162786 /nfs/dbraw/zinc/16/27/86/178162786.db2.gz YNDUZIBTFUTYMU-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO Cc1cc(N[C@H](C)c2ccc(F)cc2F)nc[nH+]1 ZINC000301284126 178186804 /nfs/dbraw/zinc/18/68/04/178186804.db2.gz YUSQRSIEQLKPJR-SECBINFHSA-N 1 2 249.264 3.236 20 0 BGADLO Cc1cc(N[C@@H](C)c2ccc(F)cc2F)nc[nH+]1 ZINC000301284128 178178988 /nfs/dbraw/zinc/17/89/88/178178988.db2.gz YUSQRSIEQLKPJR-VIFPVBQESA-N 1 2 249.264 3.236 20 0 BGADLO CC1CCC(N(C)c2cc[nH+]c(C3CC3)n2)CC1 ZINC000301285015 168159117 /nfs/dbraw/zinc/15/91/17/168159117.db2.gz YZBJDPHERPKGGC-UHFFFAOYSA-N 1 2 245.370 3.369 20 0 BGADLO CC(C)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000301288017 384873815 /nfs/dbraw/zinc/87/38/15/384873815.db2.gz ZYPLCVMZTOVLLB-UHFFFAOYSA-N 1 2 219.332 3.202 20 0 BGADLO c1ccc(NCCOC2CCCCCC2)[nH+]c1 ZINC000301290727 386830994 /nfs/dbraw/zinc/83/09/94/386830994.db2.gz PBCYZLVAHAFSKJ-UHFFFAOYSA-N 1 2 234.343 3.233 20 0 BGADLO Cc1cc(N(C)[C@H](C)c2ccccc2F)nc[nH+]1 ZINC000301290977 178101178 /nfs/dbraw/zinc/10/11/78/178101178.db2.gz TVONQLLAQUUXPY-LLVKDONJSA-N 1 2 245.301 3.122 20 0 BGADLO Cc1cc(N(C)[C@@H](C)c2ccccc2F)nc[nH+]1 ZINC000301290979 178099864 /nfs/dbraw/zinc/09/98/64/178099864.db2.gz TVONQLLAQUUXPY-NSHDSACASA-N 1 2 245.301 3.122 20 0 BGADLO Cc1cc(N2CCC[C@@H](C(C)C)CC2)nc[nH+]1 ZINC000301296717 178114043 /nfs/dbraw/zinc/11/40/43/178114043.db2.gz PKOYKGNGDWJWPR-CYBMUJFWSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1cc(N2CCC[C@H](C(C)C)CC2)nc[nH+]1 ZINC000301296718 178114032 /nfs/dbraw/zinc/11/40/32/178114032.db2.gz PKOYKGNGDWJWPR-ZDUSSCGKSA-N 1 2 233.359 3.048 20 0 BGADLO C[C@@H]1CCCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000301296947 176064017 /nfs/dbraw/zinc/06/40/17/176064017.db2.gz SKUHSEPKPMUHTF-LLVKDONJSA-N 1 2 231.343 3.123 20 0 BGADLO C[C@H]1CCCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000301296948 177070680 /nfs/dbraw/zinc/07/06/80/177070680.db2.gz SKUHSEPKPMUHTF-NSHDSACASA-N 1 2 231.343 3.123 20 0 BGADLO Cc1cc(N(CC2CCCCC2)C2CC2)nc[nH+]1 ZINC000301297811 178102626 /nfs/dbraw/zinc/10/26/26/178102626.db2.gz WJDNXBBRVNFICZ-UHFFFAOYSA-N 1 2 245.370 3.334 20 0 BGADLO CN(c1cccc[nH+]1)[C@H]1CCc2ccccc2C1 ZINC000301298351 386833420 /nfs/dbraw/zinc/83/34/20/386833420.db2.gz SXRJLDIYFIFQHK-HNNXBMFYSA-N 1 2 238.334 3.075 20 0 BGADLO CN(c1cccc[nH+]1)[C@@H]1CCc2ccccc2C1 ZINC000301298352 386833759 /nfs/dbraw/zinc/83/37/59/386833759.db2.gz SXRJLDIYFIFQHK-OAHLLOKOSA-N 1 2 238.334 3.075 20 0 BGADLO CCc1ccc(CCNc2cccc[nH+]2)cc1 ZINC000301299474 386834792 /nfs/dbraw/zinc/83/47/92/386834792.db2.gz ZZKBWQXXICPOHO-UHFFFAOYSA-N 1 2 226.323 3.299 20 0 BGADLO Cc1cc(N2CCC(C(C)(C)C)CC2)nc[nH+]1 ZINC000301311044 132253301 /nfs/dbraw/zinc/25/33/01/132253301.db2.gz FSTSDAHBKUTWPH-UHFFFAOYSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1cc(N2CCC[C@@H](C(C)(C)C)CC2)nc[nH+]1 ZINC000301311401 178115246 /nfs/dbraw/zinc/11/52/46/178115246.db2.gz GMIAFFFOUXETKY-CYBMUJFWSA-N 1 2 247.386 3.438 20 0 BGADLO Cc1cc(N2CCC[C@H](C(C)(C)C)CC2)nc[nH+]1 ZINC000301311402 178114671 /nfs/dbraw/zinc/11/46/71/178114671.db2.gz GMIAFFFOUXETKY-ZDUSSCGKSA-N 1 2 247.386 3.438 20 0 BGADLO CC(C)(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000301319808 534559409 /nfs/dbraw/zinc/55/94/09/534559409.db2.gz RHZJBOSPKQDJNE-UHFFFAOYSA-N 1 2 218.344 3.344 20 0 BGADLO CCc1cc(N2CCc3ccccc32)nc(C)[nH+]1 ZINC000301328685 386836869 /nfs/dbraw/zinc/83/68/69/386836869.db2.gz CRIYVDXGDJSKNY-UHFFFAOYSA-N 1 2 239.322 3.042 20 0 BGADLO Fc1cccc(C2(CNc3cccc[nH+]3)CC2)c1 ZINC000301332238 386838131 /nfs/dbraw/zinc/83/81/31/386838131.db2.gz BJKXICZBUHPPET-UHFFFAOYSA-N 1 2 242.297 3.364 20 0 BGADLO Cc1cc(C)cc(CCNc2cc(C)[nH+]cn2)c1 ZINC000301340088 386837918 /nfs/dbraw/zinc/83/79/18/386837918.db2.gz HXKIZZCVNTXDAI-UHFFFAOYSA-N 1 2 241.338 3.056 20 0 BGADLO Cc1cc(N[C@@H](C)CCC(C)(C)C)nc[nH+]1 ZINC000301340389 397788113 /nfs/dbraw/zinc/78/81/13/397788113.db2.gz PXFKLFJMEABOIZ-JTQLQIEISA-N 1 2 221.348 3.412 20 0 BGADLO Cc1cc(N[C@H](C)CCC(C)(C)C)nc[nH+]1 ZINC000301340391 178185906 /nfs/dbraw/zinc/18/59/06/178185906.db2.gz PXFKLFJMEABOIZ-SNVBAGLBSA-N 1 2 221.348 3.412 20 0 BGADLO Cc1ccc([C@H](C)CNc2cc(C)[nH+]cn2)cc1 ZINC000301351929 386836127 /nfs/dbraw/zinc/83/61/27/386836127.db2.gz JFTPZQQOGITZRB-GFCCVEGCSA-N 1 2 241.338 3.309 20 0 BGADLO Cc1ccc([C@@H](C)CNc2cc(C)[nH+]cn2)cc1 ZINC000301351930 386838055 /nfs/dbraw/zinc/83/80/55/386838055.db2.gz JFTPZQQOGITZRB-LBPRGKRZSA-N 1 2 241.338 3.309 20 0 BGADLO CCc1cc(Nc2ccc(OC)cc2)nc(C)[nH+]1 ZINC000301358847 386656529 /nfs/dbraw/zinc/65/65/29/386656529.db2.gz PRAWKXOACUQWKY-UHFFFAOYSA-N 1 2 243.310 3.100 20 0 BGADLO COc1cc(CCNc2cccc[nH+]2)ccc1C ZINC000301360072 386836239 /nfs/dbraw/zinc/83/62/39/386836239.db2.gz OLRGDZKQAKVNGP-UHFFFAOYSA-N 1 2 242.322 3.053 20 0 BGADLO Cc1cccc([C@H](C)CNc2cc(C)[nH+]cn2)c1 ZINC000301368587 179192559 /nfs/dbraw/zinc/19/25/59/179192559.db2.gz RSXVBHCZTSKCHQ-GFCCVEGCSA-N 1 2 241.338 3.309 20 0 BGADLO Cc1cccc([C@@H](C)CNc2cc(C)[nH+]cn2)c1 ZINC000301368589 179178169 /nfs/dbraw/zinc/17/81/69/179178169.db2.gz RSXVBHCZTSKCHQ-LBPRGKRZSA-N 1 2 241.338 3.309 20 0 BGADLO CSc1ccc(CNc2cc[nH+]c(C)n2)cc1 ZINC000301375877 187371626 /nfs/dbraw/zinc/37/16/26/187371626.db2.gz RIZFBOPITRNPGL-UHFFFAOYSA-N 1 2 245.351 3.119 20 0 BGADLO c1ccc(N[C@@H]2C[C@@H]2C2CCCCC2)[nH+]c1 ZINC000301377682 384879908 /nfs/dbraw/zinc/87/99/08/384879908.db2.gz YJYIVDMWXCDMCG-CHWSQXEVSA-N 1 2 216.328 3.462 20 0 BGADLO c1ccc(N[C@H]2C[C@@H]2C2CCCCC2)[nH+]c1 ZINC000301377684 384880387 /nfs/dbraw/zinc/88/03/87/384880387.db2.gz YJYIVDMWXCDMCG-OLZOCXBDSA-N 1 2 216.328 3.462 20 0 BGADLO c1ccc(N[C@@H]2C[C@H]2C2CCCCC2)[nH+]c1 ZINC000301377687 384880644 /nfs/dbraw/zinc/88/06/44/384880644.db2.gz YJYIVDMWXCDMCG-QWHCGFSZSA-N 1 2 216.328 3.462 20 0 BGADLO c1ccc(N[C@H]2C[C@H]2C2CCCCC2)[nH+]c1 ZINC000301377689 384880226 /nfs/dbraw/zinc/88/02/26/384880226.db2.gz YJYIVDMWXCDMCG-STQMWFEESA-N 1 2 216.328 3.462 20 0 BGADLO Cc1cc(C)cc(CCNc2cccc[nH+]2)c1 ZINC000301381588 386840475 /nfs/dbraw/zinc/84/04/75/386840475.db2.gz YWUZHNPLVKFJKZ-UHFFFAOYSA-N 1 2 226.323 3.353 20 0 BGADLO c1c2ccccc2oc1CCNc1cccc[nH+]1 ZINC000301387192 386840807 /nfs/dbraw/zinc/84/08/07/386840807.db2.gz WNADQGPORAOCML-UHFFFAOYSA-N 1 2 238.290 3.482 20 0 BGADLO Cc1cc(NC[C@@H](C)Cc2cccs2)nc[nH+]1 ZINC000301403105 178165739 /nfs/dbraw/zinc/16/57/39/178165739.db2.gz DOMTYKQHYOJLBW-JTQLQIEISA-N 1 2 247.367 3.137 20 0 BGADLO Cc1cc(NC[C@H](C)Cc2cccs2)nc[nH+]1 ZINC000301403106 178168268 /nfs/dbraw/zinc/16/82/68/178168268.db2.gz DOMTYKQHYOJLBW-SNVBAGLBSA-N 1 2 247.367 3.137 20 0 BGADLO CC1(C)CCCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000301404002 386842421 /nfs/dbraw/zinc/84/24/21/386842421.db2.gz FFTBHKGXSQJIPA-UHFFFAOYSA-N 1 2 245.370 3.371 20 0 BGADLO CC(C)[C@@H](O)CCNc1ccc2ccccc2[nH+]1 ZINC000301404726 386841785 /nfs/dbraw/zinc/84/17/85/386841785.db2.gz FUAWPCABMGRZSS-AWEZNQCLSA-N 1 2 244.338 3.054 20 0 BGADLO CC(C)[C@H](O)CCNc1ccc2ccccc2[nH+]1 ZINC000301404727 386843368 /nfs/dbraw/zinc/84/33/68/386843368.db2.gz FUAWPCABMGRZSS-CQSZACIVSA-N 1 2 244.338 3.054 20 0 BGADLO C[C@@H]1CCC[C@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000301408125 177114754 /nfs/dbraw/zinc/11/47/54/177114754.db2.gz IHRQCXPBZVDXIY-NEPJUHHUSA-N 1 2 245.370 3.369 20 0 BGADLO C[C@@H]1CCC[C@H](C)CN1c1cc[nH+]c(C2CC2)n1 ZINC000301408126 177115174 /nfs/dbraw/zinc/11/51/74/177115174.db2.gz IHRQCXPBZVDXIY-NWDGAFQWSA-N 1 2 245.370 3.369 20 0 BGADLO C[C@H]1CCC[C@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000301408127 177129706 /nfs/dbraw/zinc/12/97/06/177129706.db2.gz IHRQCXPBZVDXIY-RYUDHWBXSA-N 1 2 245.370 3.369 20 0 BGADLO C[C@@H]1CCC[C@@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000301408128 176114247 /nfs/dbraw/zinc/11/42/47/176114247.db2.gz IHRQCXPBZVDXIY-VXGBXAGGSA-N 1 2 245.370 3.369 20 0 BGADLO C[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301422262 132253643 /nfs/dbraw/zinc/25/36/43/132253643.db2.gz FOXFTWKNSWPEJI-SECBINFHSA-N 1 2 244.260 3.337 20 0 BGADLO C[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301422263 132253615 /nfs/dbraw/zinc/25/36/15/132253615.db2.gz FOXFTWKNSWPEJI-VIFPVBQESA-N 1 2 244.260 3.337 20 0 BGADLO CC(C)C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000301423141 386843876 /nfs/dbraw/zinc/84/38/76/386843876.db2.gz JIKLTBWNKKCANW-GFCCVEGCSA-N 1 2 245.370 3.226 20 0 BGADLO CC(C)C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000301423142 187205823 /nfs/dbraw/zinc/20/58/23/187205823.db2.gz JIKLTBWNKKCANW-LBPRGKRZSA-N 1 2 245.370 3.226 20 0 BGADLO CCCCN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301426408 386842891 /nfs/dbraw/zinc/84/28/91/386842891.db2.gz HQWFYEYJIUPMOD-UHFFFAOYSA-N 1 2 232.249 3.337 20 0 BGADLO Cc1nc(N2CCc3ccccc32)c(C)c(C)[nH+]1 ZINC000301429389 386843162 /nfs/dbraw/zinc/84/31/62/386843162.db2.gz JAMBGGCBSXVJAW-UHFFFAOYSA-N 1 2 239.322 3.096 20 0 BGADLO CC(C)[C@@](C)(O)CNc1ccc2ccccc2[nH+]1 ZINC000301429670 384876293 /nfs/dbraw/zinc/87/62/93/384876293.db2.gz NTMVNSDQOXLSFI-HNNXBMFYSA-N 1 2 244.338 3.054 20 0 BGADLO CC(C)[C@](C)(O)CNc1ccc2ccccc2[nH+]1 ZINC000301429671 384876011 /nfs/dbraw/zinc/87/60/11/384876011.db2.gz NTMVNSDQOXLSFI-OAHLLOKOSA-N 1 2 244.338 3.054 20 0 BGADLO Cc1nc(N(C)Cc2ccccc2)c(C)c(C)[nH+]1 ZINC000301430197 386842861 /nfs/dbraw/zinc/84/28/61/386842861.db2.gz JMDLTPKALIFHCB-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO CC(C)(C)C[C@H]1CCCN1c1cccc[nH+]1 ZINC000301431506 386843851 /nfs/dbraw/zinc/84/38/51/386843851.db2.gz VPDBKJDZQLCDOI-GFCCVEGCSA-N 1 2 218.344 3.487 20 0 BGADLO CC(C)(C)C[C@@H]1CCCN1c1cccc[nH+]1 ZINC000301431508 386841750 /nfs/dbraw/zinc/84/17/50/386841750.db2.gz VPDBKJDZQLCDOI-LBPRGKRZSA-N 1 2 218.344 3.487 20 0 BGADLO Cc1ccc(Nc2nc(C)[nH+]c(C)c2C)cc1 ZINC000301431540 178781827 /nfs/dbraw/zinc/78/18/27/178781827.db2.gz JXAAWPAYUBLPQD-UHFFFAOYSA-N 1 2 227.311 3.454 20 0 BGADLO Cc1cc(N[C@@H]2C[C@@H]2C2CCCCC2)nc[nH+]1 ZINC000301431928 178184261 /nfs/dbraw/zinc/18/42/61/178184261.db2.gz QPYWIDFQUJTXMJ-CHWSQXEVSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1cc(N[C@H]2C[C@@H]2C2CCCCC2)nc[nH+]1 ZINC000301431929 178191873 /nfs/dbraw/zinc/19/18/73/178191873.db2.gz QPYWIDFQUJTXMJ-OLZOCXBDSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1cc(N[C@@H]2C[C@H]2C2CCCCC2)nc[nH+]1 ZINC000301431930 178184910 /nfs/dbraw/zinc/18/49/10/178184910.db2.gz QPYWIDFQUJTXMJ-QWHCGFSZSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1cc(N[C@H]2C[C@H]2C2CCCCC2)nc[nH+]1 ZINC000301431931 178191700 /nfs/dbraw/zinc/19/17/00/178191700.db2.gz QPYWIDFQUJTXMJ-STQMWFEESA-N 1 2 231.343 3.166 20 0 BGADLO Cc1nc(N2CCC[C@H](C)CC2)c(C)c(C)[nH+]1 ZINC000301432812 386842236 /nfs/dbraw/zinc/84/22/36/386842236.db2.gz HRYKZDDOYVJMDQ-JTQLQIEISA-N 1 2 233.359 3.028 20 0 BGADLO Cc1nc(N2CCC[C@@H](C)CC2)c(C)c(C)[nH+]1 ZINC000301432814 386844029 /nfs/dbraw/zinc/84/40/29/386844029.db2.gz HRYKZDDOYVJMDQ-SNVBAGLBSA-N 1 2 233.359 3.028 20 0 BGADLO CC1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000301433964 132253600 /nfs/dbraw/zinc/25/36/00/132253600.db2.gz LMNICIWBGTYVAM-UHFFFAOYSA-N 1 2 244.260 3.337 20 0 BGADLO CCCCN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301435499 398167623 /nfs/dbraw/zinc/16/76/23/398167623.db2.gz LYHKYMWTIWEJDF-UHFFFAOYSA-N 1 2 221.348 3.010 20 0 BGADLO COc1ccc(Nc2nc(C)[nH+]c(C)c2C)cc1 ZINC000301438619 175156669 /nfs/dbraw/zinc/15/66/69/175156669.db2.gz NMKBGOYIIPCIKP-UHFFFAOYSA-N 1 2 243.310 3.154 20 0 BGADLO CCC[C@@]1(C)CCCN(c2cccc[nH+]2)C1 ZINC000301440751 132253692 /nfs/dbraw/zinc/25/36/92/132253692.db2.gz MEYMNIHHYUPKNB-AWEZNQCLSA-N 1 2 218.344 3.488 20 0 BGADLO CCC[C@]1(C)CCCN(c2cccc[nH+]2)C1 ZINC000301440752 132253687 /nfs/dbraw/zinc/25/36/87/132253687.db2.gz MEYMNIHHYUPKNB-CQSZACIVSA-N 1 2 218.344 3.488 20 0 BGADLO Cc1cc(N[C@@H]2CCC[C@H](C3CC3)C2)nc[nH+]1 ZINC000301442472 386841843 /nfs/dbraw/zinc/84/18/43/386841843.db2.gz UUAOTXPATUKCNX-QWHCGFSZSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1nc(N(C)C2CCCCC2)c(C)c(C)[nH+]1 ZINC000301442877 386844432 /nfs/dbraw/zinc/84/44/32/386844432.db2.gz POUWFNQVCDLKFJ-UHFFFAOYSA-N 1 2 233.359 3.171 20 0 BGADLO CCC(CC)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301443511 168395005 /nfs/dbraw/zinc/39/50/05/168395005.db2.gz PRBYXQZXANZWGV-UHFFFAOYSA-N 1 2 221.348 3.375 20 0 BGADLO Cc1nc(N2CCCCCCC2)c(C)c(C)[nH+]1 ZINC000301449911 386846038 /nfs/dbraw/zinc/84/60/38/386846038.db2.gz SQSYFWRXWNUROX-UHFFFAOYSA-N 1 2 233.359 3.172 20 0 BGADLO Cc1cc(N2C[C@@H](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301452335 178121371 /nfs/dbraw/zinc/12/13/71/178121371.db2.gz QRCAJTGMPNVPPL-GHMZBOCLSA-N 1 2 233.359 3.001 20 0 BGADLO Cc1cc(N2C[C@H](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301452336 178120658 /nfs/dbraw/zinc/12/06/58/178120658.db2.gz QRCAJTGMPNVPPL-PHIMTYICSA-N 1 2 233.359 3.001 20 0 BGADLO Cc1cc(N2C[C@H](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301452337 178120713 /nfs/dbraw/zinc/12/07/13/178120713.db2.gz QRCAJTGMPNVPPL-QWRGUYRKSA-N 1 2 233.359 3.001 20 0 BGADLO CC(C)CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301452574 384875029 /nfs/dbraw/zinc/87/50/29/384875029.db2.gz UUVDFQBNBPLVBV-UHFFFAOYSA-N 1 2 221.348 3.232 20 0 BGADLO CCC[C@@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301459285 132254170 /nfs/dbraw/zinc/25/41/70/132254170.db2.gz UBTFASRPVKIGKO-AWEZNQCLSA-N 1 2 233.359 3.192 20 0 BGADLO CCC[C@]1(C)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000301459286 132254088 /nfs/dbraw/zinc/25/40/88/132254088.db2.gz UBTFASRPVKIGKO-CQSZACIVSA-N 1 2 233.359 3.192 20 0 BGADLO CC(C)(C)c1nc(NCc2ccccc2)cc[nH+]1 ZINC000301461446 386846319 /nfs/dbraw/zinc/84/63/19/386846319.db2.gz YYRFNFCZGYTJCN-UHFFFAOYSA-N 1 2 241.338 3.386 20 0 BGADLO Cc1ccccc1O[C@H](C)CNc1cccc[nH+]1 ZINC000301461548 179314380 /nfs/dbraw/zinc/31/43/80/179314380.db2.gz OHIHMBTXAKBVOO-CYBMUJFWSA-N 1 2 242.322 3.269 20 0 BGADLO Cc1ccccc1O[C@@H](C)CNc1cccc[nH+]1 ZINC000301461549 179312997 /nfs/dbraw/zinc/31/29/97/179312997.db2.gz OHIHMBTXAKBVOO-ZDUSSCGKSA-N 1 2 242.322 3.269 20 0 BGADLO CCO[C@@H](CCNc1cccc[nH+]1)C1CCCC1 ZINC000301463083 386845848 /nfs/dbraw/zinc/84/58/48/386845848.db2.gz FPKNMVOHAQSQLT-AWEZNQCLSA-N 1 2 248.370 3.479 20 0 BGADLO CCO[C@H](CCNc1cccc[nH+]1)C1CCCC1 ZINC000301463084 386845058 /nfs/dbraw/zinc/84/50/58/386845058.db2.gz FPKNMVOHAQSQLT-CQSZACIVSA-N 1 2 248.370 3.479 20 0 BGADLO CC(C)C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000301463367 132254043 /nfs/dbraw/zinc/25/40/43/132254043.db2.gz OTIGOJKHANPUIT-UHFFFAOYSA-N 1 2 245.370 3.226 20 0 BGADLO CC[C@@]1(C)CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000301469653 536040548 /nfs/dbraw/zinc/04/05/48/536040548.db2.gz OBOAVXHBXWBJCC-HNNXBMFYSA-N 1 2 245.370 3.371 20 0 BGADLO CC[C@]1(C)CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000301469654 132254036 /nfs/dbraw/zinc/25/40/36/132254036.db2.gz OBOAVXHBXWBJCC-OAHLLOKOSA-N 1 2 245.370 3.371 20 0 BGADLO Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)nc(C(C)C)[nH+]1 ZINC000301476821 178122640 /nfs/dbraw/zinc/12/26/40/178122640.db2.gz WQHXLPZLNZPBKY-TXEJJXNPSA-N 1 2 245.370 3.001 20 0 BGADLO CC[C@@H](C)CN(CC)c1cc[nH+]c(C2CC2)n1 ZINC000301477841 386847992 /nfs/dbraw/zinc/84/79/92/386847992.db2.gz CCIJXNZRWKHBML-LLVKDONJSA-N 1 2 233.359 3.226 20 0 BGADLO CC[C@H](C)CN(CC)c1cc[nH+]c(C2CC2)n1 ZINC000301477843 171279977 /nfs/dbraw/zinc/27/99/77/171279977.db2.gz CCIJXNZRWKHBML-NSHDSACASA-N 1 2 233.359 3.226 20 0 BGADLO CS[C@@H]1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000301478737 386847119 /nfs/dbraw/zinc/84/71/19/386847119.db2.gz UWWRUHHGIUGKQG-GHMZBOCLSA-N 1 2 249.383 3.050 20 0 BGADLO CS[C@H]1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000301478738 386848838 /nfs/dbraw/zinc/84/88/38/386848838.db2.gz UWWRUHHGIUGKQG-MNOVXSKESA-N 1 2 249.383 3.050 20 0 BGADLO CS[C@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000301478739 386847738 /nfs/dbraw/zinc/84/77/38/386847738.db2.gz UWWRUHHGIUGKQG-QWRGUYRKSA-N 1 2 249.383 3.050 20 0 BGADLO CS[C@@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000301478740 386848613 /nfs/dbraw/zinc/84/86/13/386848613.db2.gz UWWRUHHGIUGKQG-WDEREUQCSA-N 1 2 249.383 3.050 20 0 BGADLO Fc1ccc(F)c(CCNc2cccc[nH+]2)c1 ZINC000301480986 386847942 /nfs/dbraw/zinc/84/79/42/386847942.db2.gz SDDJERUSGHJPTD-UHFFFAOYSA-N 1 2 234.249 3.014 20 0 BGADLO Cc1cc(N2CCC(C)(C)C2)nc(C(C)C)[nH+]1 ZINC000301482830 178113339 /nfs/dbraw/zinc/11/33/39/178113339.db2.gz XNGUVUFWGUOVAI-UHFFFAOYSA-N 1 2 233.359 3.145 20 0 BGADLO c1cc(N2CCC3(CCCC3)C2)nc(C2CC2)[nH+]1 ZINC000301484371 183356026 /nfs/dbraw/zinc/35/60/26/183356026.db2.gz YLVCUDLQANZASN-UHFFFAOYSA-N 1 2 243.354 3.125 20 0 BGADLO Cc1cc(N[C@H](C)[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000301487280 178185745 /nfs/dbraw/zinc/18/57/45/178185745.db2.gz YLCRAHKPOVGTDG-CHWSQXEVSA-N 1 2 241.338 3.389 20 0 BGADLO Cc1cc(N[C@@H](C)[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000301487281 178178679 /nfs/dbraw/zinc/17/86/79/178178679.db2.gz YLCRAHKPOVGTDG-OLZOCXBDSA-N 1 2 241.338 3.389 20 0 BGADLO Cc1cc(N[C@H](C)[C@H](C)c2ccccc2)nc[nH+]1 ZINC000301487282 178185202 /nfs/dbraw/zinc/18/52/02/178185202.db2.gz YLCRAHKPOVGTDG-QWHCGFSZSA-N 1 2 241.338 3.389 20 0 BGADLO Cc1cc(N[C@@H](C)[C@H](C)c2ccccc2)nc[nH+]1 ZINC000301487283 178178386 /nfs/dbraw/zinc/17/83/86/178178386.db2.gz YLCRAHKPOVGTDG-STQMWFEESA-N 1 2 241.338 3.389 20 0 BGADLO CC(C)(C)c1nc(NCc2ccsc2)cc[nH+]1 ZINC000301495604 187206513 /nfs/dbraw/zinc/20/65/13/187206513.db2.gz ATAGWSCIGGAUET-UHFFFAOYSA-N 1 2 247.367 3.448 20 0 BGADLO c1ccc(CN(c2cccc[nH+]2)C2CC2)cc1 ZINC000301497300 183396818 /nfs/dbraw/zinc/39/68/18/183396818.db2.gz BQFUBQXVTRAZKI-UHFFFAOYSA-N 1 2 224.307 3.251 20 0 BGADLO CC(C)CCN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301500819 386849825 /nfs/dbraw/zinc/84/98/25/386849825.db2.gz DRCORTIZNDETKX-UHFFFAOYSA-N 1 2 235.375 3.256 20 0 BGADLO C[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301500924 176151759 /nfs/dbraw/zinc/15/17/59/176151759.db2.gz DUUUFRHQRCQOFT-GHMZBOCLSA-N 1 2 233.359 3.375 20 0 BGADLO C[C@@H]1CCC[C@@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301500925 176133249 /nfs/dbraw/zinc/13/32/49/176133249.db2.gz DUUUFRHQRCQOFT-MNOVXSKESA-N 1 2 233.359 3.375 20 0 BGADLO C[C@H]1CCC[C@@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301500926 177126760 /nfs/dbraw/zinc/12/67/60/177126760.db2.gz DUUUFRHQRCQOFT-QWRGUYRKSA-N 1 2 233.359 3.375 20 0 BGADLO C[C@H]1CCC[C@H]1Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301500927 177142511 /nfs/dbraw/zinc/14/25/11/177142511.db2.gz DUUUFRHQRCQOFT-WDEREUQCSA-N 1 2 233.359 3.375 20 0 BGADLO Cc1cc(N2CC[C@H](C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301502728 178119134 /nfs/dbraw/zinc/11/91/34/178119134.db2.gz YBUGUBHSZCNTEQ-CMPLNLGQSA-N 1 2 233.359 3.143 20 0 BGADLO Cc1cc(N2CC[C@H](C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301502729 178119145 /nfs/dbraw/zinc/11/91/45/178119145.db2.gz YBUGUBHSZCNTEQ-JQWIXIFHSA-N 1 2 233.359 3.143 20 0 BGADLO Cc1cc(N2CC[C@@H](C)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301502730 178117935 /nfs/dbraw/zinc/11/79/35/178117935.db2.gz YBUGUBHSZCNTEQ-PWSUYJOCSA-N 1 2 233.359 3.143 20 0 BGADLO Cc1cc(N2CC[C@@H](C)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301502731 178117553 /nfs/dbraw/zinc/11/75/53/178117553.db2.gz YBUGUBHSZCNTEQ-ZYHUDNBSSA-N 1 2 233.359 3.143 20 0 BGADLO CCO[C@@H]1C[C@@H](Nc2cccc[nH+]2)C1(CC)CC ZINC000301503202 386850294 /nfs/dbraw/zinc/85/02/94/386850294.db2.gz BQRSMVFBFAOCPA-CHWSQXEVSA-N 1 2 248.370 3.477 20 0 BGADLO CCO[C@H]1C[C@@H](Nc2cccc[nH+]2)C1(CC)CC ZINC000301503203 386850672 /nfs/dbraw/zinc/85/06/72/386850672.db2.gz BQRSMVFBFAOCPA-OLZOCXBDSA-N 1 2 248.370 3.477 20 0 BGADLO CCO[C@@H]1C[C@H](Nc2cccc[nH+]2)C1(CC)CC ZINC000301503204 386851387 /nfs/dbraw/zinc/85/13/87/386851387.db2.gz BQRSMVFBFAOCPA-QWHCGFSZSA-N 1 2 248.370 3.477 20 0 BGADLO CCO[C@H]1C[C@H](Nc2cccc[nH+]2)C1(CC)CC ZINC000301503205 386851045 /nfs/dbraw/zinc/85/10/45/386851045.db2.gz BQRSMVFBFAOCPA-STQMWFEESA-N 1 2 248.370 3.477 20 0 BGADLO CCCCO[C@@H]1C[C@@H](Nc2cccc[nH+]2)C1(C)C ZINC000301508529 356544974 /nfs/dbraw/zinc/54/49/74/356544974.db2.gz CHTGLVQPWMLBAF-CHWSQXEVSA-N 1 2 248.370 3.477 20 0 BGADLO CCCCO[C@H]1C[C@@H](Nc2cccc[nH+]2)C1(C)C ZINC000301508531 356544766 /nfs/dbraw/zinc/54/47/66/356544766.db2.gz CHTGLVQPWMLBAF-OLZOCXBDSA-N 1 2 248.370 3.477 20 0 BGADLO CCCCO[C@@H]1C[C@H](Nc2cccc[nH+]2)C1(C)C ZINC000301508533 356544621 /nfs/dbraw/zinc/54/46/21/356544621.db2.gz CHTGLVQPWMLBAF-QWHCGFSZSA-N 1 2 248.370 3.477 20 0 BGADLO CCCCO[C@H]1C[C@H](Nc2cccc[nH+]2)C1(C)C ZINC000301508535 356544979 /nfs/dbraw/zinc/54/49/79/356544979.db2.gz CHTGLVQPWMLBAF-STQMWFEESA-N 1 2 248.370 3.477 20 0 BGADLO CC(C)(C)c1nc(N[C@@H]2CC=CCC2)cc[nH+]1 ZINC000301510016 386849741 /nfs/dbraw/zinc/84/97/41/386849741.db2.gz DWRPSSZUAHSRHC-LLVKDONJSA-N 1 2 231.343 3.295 20 0 BGADLO CC(C)(C)c1nc(N[C@H]2CC=CCC2)cc[nH+]1 ZINC000301510017 386849949 /nfs/dbraw/zinc/84/99/49/386849949.db2.gz DWRPSSZUAHSRHC-NSHDSACASA-N 1 2 231.343 3.295 20 0 BGADLO CC(C)(C)c1nc(NC(C2CC2)C2CC2)cc[nH+]1 ZINC000301514157 386850598 /nfs/dbraw/zinc/85/05/98/386850598.db2.gz JHLUAJXSHJVBAI-UHFFFAOYSA-N 1 2 245.370 3.375 20 0 BGADLO CC1(C)CCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301515712 356544808 /nfs/dbraw/zinc/54/48/08/356544808.db2.gz BWLMFSLHZBKYOO-LLVKDONJSA-N 1 2 231.343 3.345 20 0 BGADLO CC1(C)CCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000301515713 356544025 /nfs/dbraw/zinc/54/40/25/356544025.db2.gz BWLMFSLHZBKYOO-NSHDSACASA-N 1 2 231.343 3.345 20 0 BGADLO C[C@@H]1CCCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000301518481 132254543 /nfs/dbraw/zinc/25/45/43/132254543.db2.gz GZKVUACWYZEJHB-SECBINFHSA-N 1 2 244.260 3.479 20 0 BGADLO C[C@H]1CCCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000301518482 132254463 /nfs/dbraw/zinc/25/44/63/132254463.db2.gz GZKVUACWYZEJHB-VIFPVBQESA-N 1 2 244.260 3.479 20 0 BGADLO CC(C)(C)c1nc(NCC2(C)CCC2)cc[nH+]1 ZINC000301521352 168048917 /nfs/dbraw/zinc/04/89/17/168048917.db2.gz DIHBIJVVYVIECV-UHFFFAOYSA-N 1 2 233.359 3.376 20 0 BGADLO CN(CC1CCC1)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301523082 386851596 /nfs/dbraw/zinc/85/15/96/386851596.db2.gz OHKNASJSDXDGRP-UHFFFAOYSA-N 1 2 244.260 3.337 20 0 BGADLO C[C@H](c1ccccc1F)N(C)c1cccc[nH+]1 ZINC000301525078 177041932 /nfs/dbraw/zinc/04/19/32/177041932.db2.gz MXEFKPJWWSVSIQ-LLVKDONJSA-N 1 2 230.286 3.418 20 0 BGADLO C[C@@H](c1ccccc1F)N(C)c1cccc[nH+]1 ZINC000301525079 176024777 /nfs/dbraw/zinc/02/47/77/176024777.db2.gz MXEFKPJWWSVSIQ-NSHDSACASA-N 1 2 230.286 3.418 20 0 BGADLO CC(C)CN(C)c1cc(C(F)(F)F)cc[nH+]1 ZINC000301525775 356545694 /nfs/dbraw/zinc/54/56/94/356545694.db2.gz PRKXUYBBDWNZSY-UHFFFAOYSA-N 1 2 232.249 3.193 20 0 BGADLO CC1(C)CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000301536826 356545723 /nfs/dbraw/zinc/54/57/23/356545723.db2.gz JBTIXTMWNHHXTQ-UHFFFAOYSA-N 1 2 244.260 3.337 20 0 BGADLO CCC1(CNc2cc[nH+]c(C(C)(C)C)n2)CC1 ZINC000301539097 386853720 /nfs/dbraw/zinc/85/37/20/386853720.db2.gz JLRAISWSBPMTHZ-UHFFFAOYSA-N 1 2 233.359 3.376 20 0 BGADLO C[C@H]1[C@H](c2ccccc2)CCN1c1cccc[nH+]1 ZINC000301542297 177436567 /nfs/dbraw/zinc/43/65/67/177436567.db2.gz CJSCUGHTFCCLSW-DZGCQCFKSA-N 1 2 238.334 3.464 20 0 BGADLO C[C@@H]1[C@@H](c2ccccc2)CCN1c1cccc[nH+]1 ZINC000301542298 386853877 /nfs/dbraw/zinc/85/38/77/386853877.db2.gz CJSCUGHTFCCLSW-HIFRSBDPSA-N 1 2 238.334 3.464 20 0 BGADLO C[C@@H]1[C@H](c2ccccc2)CCN1c1cccc[nH+]1 ZINC000301542299 386853998 /nfs/dbraw/zinc/85/39/98/386853998.db2.gz CJSCUGHTFCCLSW-UKRRQHHQSA-N 1 2 238.334 3.464 20 0 BGADLO C[C@H]1[C@@H](c2ccccc2)CCN1c1cccc[nH+]1 ZINC000301542300 386852450 /nfs/dbraw/zinc/85/24/50/386852450.db2.gz CJSCUGHTFCCLSW-ZFWWWQNUSA-N 1 2 238.334 3.464 20 0 BGADLO CN(CC(C)(C)C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301542573 386853154 /nfs/dbraw/zinc/85/31/54/386853154.db2.gz SOJXBSPCZWJCTM-UHFFFAOYSA-N 1 2 235.375 3.256 20 0 BGADLO CC[C@@H](C)CN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301548175 386852946 /nfs/dbraw/zinc/85/29/46/386852946.db2.gz ULUXPGTZAYHPFP-LLVKDONJSA-N 1 2 235.375 3.256 20 0 BGADLO CC[C@H](C)CN(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301548176 171275850 /nfs/dbraw/zinc/27/58/50/171275850.db2.gz ULUXPGTZAYHPFP-NSHDSACASA-N 1 2 235.375 3.256 20 0 BGADLO CCC(C)(C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000301548966 168302929 /nfs/dbraw/zinc/30/29/29/168302929.db2.gz URIVYFPLESNUDN-UHFFFAOYSA-N 1 2 221.348 3.375 20 0 BGADLO CSCCN(C)c1ccc2ccccc2[nH+]1 ZINC000301550970 386853137 /nfs/dbraw/zinc/85/31/37/386853137.db2.gz GXMYEWUOUQINKH-UHFFFAOYSA-N 1 2 232.352 3.034 20 0 BGADLO CN(c1cc(C(F)(F)F)cc[nH+]1)C1CCC1 ZINC000301557123 386855207 /nfs/dbraw/zinc/85/52/07/386855207.db2.gz SNCBQJVNMPLSBX-UHFFFAOYSA-N 1 2 230.233 3.089 20 0 BGADLO CC(C)(C)c1nc(NCCC2CCC2)cc[nH+]1 ZINC000301558290 386856962 /nfs/dbraw/zinc/85/69/62/386856962.db2.gz JHGJZSWHTBXNMB-UHFFFAOYSA-N 1 2 233.359 3.376 20 0 BGADLO Cc1nc(N2CCCCCC2)c2c([nH+]1)CCCC2 ZINC000301562682 180068319 /nfs/dbraw/zinc/06/83/19/180068319.db2.gz KTHVSZHDGVLSEJ-UHFFFAOYSA-N 1 2 245.370 3.044 20 0 BGADLO CN(c1cccc[nH+]1)C1CCC(C)(C)CC1 ZINC000301562845 386856620 /nfs/dbraw/zinc/85/66/20/386856620.db2.gz LCUVBUUOVFLFSK-UHFFFAOYSA-N 1 2 218.344 3.487 20 0 BGADLO Cc1cc(N(C)C2CCC(C)(C)CC2)nc[nH+]1 ZINC000301562921 178096280 /nfs/dbraw/zinc/09/62/80/178096280.db2.gz LETMBRWHXNUZDL-UHFFFAOYSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CCCC1 ZINC000301564324 178298360 /nfs/dbraw/zinc/29/83/60/178298360.db2.gz LKAASXPGIKDQJB-UHFFFAOYSA-N 1 2 212.296 3.143 20 0 BGADLO CCCCCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000301564651 384893646 /nfs/dbraw/zinc/89/36/46/384893646.db2.gz VGBIXJANHUFMIX-UHFFFAOYSA-N 1 2 221.348 3.376 20 0 BGADLO CC(C)C1(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000301566706 386855546 /nfs/dbraw/zinc/85/55/46/386855546.db2.gz MIJKXIPKVQUDTG-UHFFFAOYSA-N 1 2 231.343 3.202 20 0 BGADLO Cc1cc(NCC(C)(C)CC(C)C)nc[nH+]1 ZINC000301570950 178156531 /nfs/dbraw/zinc/15/65/31/178156531.db2.gz MDJUTACTDQDMOX-UHFFFAOYSA-N 1 2 221.348 3.269 20 0 BGADLO CCC(CC)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000301573490 168395151 /nfs/dbraw/zinc/39/51/51/168395151.db2.gz PBHRNWRIMSCQTO-UHFFFAOYSA-N 1 2 233.359 3.264 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CCSCC1 ZINC000301578766 132254836 /nfs/dbraw/zinc/25/48/36/132254836.db2.gz RLSOLJFIEYTBRS-UHFFFAOYSA-N 1 2 244.363 3.096 20 0 BGADLO C[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)[C@H]1C ZINC000301579892 386856863 /nfs/dbraw/zinc/85/68/63/386856863.db2.gz ULZRTNXGECHQHX-BDAKNGLRSA-N 1 2 244.260 3.335 20 0 BGADLO C[C@@H]1[C@@H](C)CCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000301579893 177171376 /nfs/dbraw/zinc/17/13/76/177171376.db2.gz ULZRTNXGECHQHX-DTWKUNHWSA-N 1 2 244.260 3.335 20 0 BGADLO C[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)[C@H]1C ZINC000301579894 177171159 /nfs/dbraw/zinc/17/11/59/177171159.db2.gz ULZRTNXGECHQHX-IUCAKERBSA-N 1 2 244.260 3.335 20 0 BGADLO C[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)[C@@H]1C ZINC000301579895 176180517 /nfs/dbraw/zinc/18/05/17/176180517.db2.gz ULZRTNXGECHQHX-RKDXNWHRSA-N 1 2 244.260 3.335 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N(C)CC1CC1 ZINC000301587748 178298605 /nfs/dbraw/zinc/29/86/05/178298605.db2.gz WLRXOIHVKIFNEC-UHFFFAOYSA-N 1 2 226.323 3.389 20 0 BGADLO Cc1nc(NC2CCCC2)c2c([nH+]1)CCCC2 ZINC000301588934 180067797 /nfs/dbraw/zinc/06/77/97/180067797.db2.gz WYVKDQZRJAOLKL-UHFFFAOYSA-N 1 2 231.343 3.018 20 0 BGADLO CCC1(CNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000301590147 386858278 /nfs/dbraw/zinc/85/82/78/386858278.db2.gz XPHMDNSSXDIXBN-UHFFFAOYSA-N 1 2 231.343 3.346 20 0 BGADLO C[C@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1C ZINC000301590636 176318731 /nfs/dbraw/zinc/31/87/31/176318731.db2.gz XJQIIZXLXCSDMP-DTORHVGOSA-N 1 2 244.260 3.193 20 0 BGADLO C[C@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1C ZINC000301590638 177276471 /nfs/dbraw/zinc/27/64/71/177276471.db2.gz XJQIIZXLXCSDMP-IUCAKERBSA-N 1 2 244.260 3.193 20 0 BGADLO C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1C ZINC000301590640 176318847 /nfs/dbraw/zinc/31/88/47/176318847.db2.gz XJQIIZXLXCSDMP-RKDXNWHRSA-N 1 2 244.260 3.193 20 0 BGADLO CN(CC1CCC1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301598918 386858844 /nfs/dbraw/zinc/85/88/44/386858844.db2.gz UGTLSEUNZGBPFQ-UHFFFAOYSA-N 1 2 233.359 3.010 20 0 BGADLO Cc1cnc([C@H](Nc2cccc[nH+]2)C2CC2)s1 ZINC000301604899 386859439 /nfs/dbraw/zinc/85/94/39/386859439.db2.gz XVRUKDUAESRSIA-GFCCVEGCSA-N 1 2 245.351 3.410 20 0 BGADLO Cc1cnc([C@@H](Nc2cccc[nH+]2)C2CC2)s1 ZINC000301604900 386857671 /nfs/dbraw/zinc/85/76/71/386857671.db2.gz XVRUKDUAESRSIA-LBPRGKRZSA-N 1 2 245.351 3.410 20 0 BGADLO Cc1cc(N2CCCC[C@@H]2CC(C)C)nc[nH+]1 ZINC000301608931 132255467 /nfs/dbraw/zinc/25/54/67/132255467.db2.gz AKNOXHZSIFAZJQ-CYBMUJFWSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1cc(N2CCCC[C@H]2CC(C)C)nc[nH+]1 ZINC000301608932 132255423 /nfs/dbraw/zinc/25/54/23/132255423.db2.gz AKNOXHZSIFAZJQ-ZDUSSCGKSA-N 1 2 233.359 3.190 20 0 BGADLO COc1cc(C)ccc1CNc1cccc[nH+]1 ZINC000301611158 386858542 /nfs/dbraw/zinc/85/85/42/386858542.db2.gz DIJLRNWIKLVQJG-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000301614124 178121814 /nfs/dbraw/zinc/12/18/14/178121814.db2.gz UKRAPUJNLPUSNA-BETUJISGSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc(N2C[C@H]3CCC[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000301614125 178122019 /nfs/dbraw/zinc/12/20/19/178122019.db2.gz UKRAPUJNLPUSNA-CHWSQXEVSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc(N2C[C@@H]3CCC[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000301614126 178120920 /nfs/dbraw/zinc/12/09/20/178120920.db2.gz UKRAPUJNLPUSNA-STQMWFEESA-N 1 2 245.370 3.145 20 0 BGADLO CC(C)CC1(CNc2cccc[nH+]2)CC1 ZINC000301619431 384903289 /nfs/dbraw/zinc/90/32/89/384903289.db2.gz XCMYVCIZDLJXDO-UHFFFAOYSA-N 1 2 204.317 3.320 20 0 BGADLO Cc1cc(NCC2(CC(C)C)CC2)nc[nH+]1 ZINC000301620519 178157394 /nfs/dbraw/zinc/15/73/94/178157394.db2.gz XQQCZBGQKPYLBT-UHFFFAOYSA-N 1 2 219.332 3.023 20 0 BGADLO CCCC1(CNc2cc(C)[nH+]cn2)CCC1 ZINC000301621143 384904333 /nfs/dbraw/zinc/90/43/33/384904333.db2.gz DBOWRTGUGVKXKF-UHFFFAOYSA-N 1 2 219.332 3.167 20 0 BGADLO CCC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301622074 132255567 /nfs/dbraw/zinc/25/55/67/132255567.db2.gz NTVQZOYZAYSSNE-GFCCVEGCSA-N 1 2 204.317 3.098 20 0 BGADLO CCC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301622075 535728892 /nfs/dbraw/zinc/72/88/92/535728892.db2.gz NTVQZOYZAYSSNE-LBPRGKRZSA-N 1 2 204.317 3.098 20 0 BGADLO CCCC1(CNc2cccc[nH+]2)CCC1 ZINC000301622537 384905366 /nfs/dbraw/zinc/90/53/66/384905366.db2.gz DWUPTOYMXWUPMK-UHFFFAOYSA-N 1 2 204.317 3.464 20 0 BGADLO Cc1ccc(CCNc2ccnc(Cl)c2)c[nH+]1 ZINC000301622999 386861377 /nfs/dbraw/zinc/86/13/77/386861377.db2.gz OICQZLYYOGNCNO-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO Cc1cc(N[C@@H]2C=CCCC2)nc(C(C)C)[nH+]1 ZINC000301623923 178181392 /nfs/dbraw/zinc/18/13/92/178181392.db2.gz OWXFXNKBXSWKJC-GFCCVEGCSA-N 1 2 231.343 3.429 20 0 BGADLO Cc1cc(N[C@H]2C=CCCC2)nc(C(C)C)[nH+]1 ZINC000301623924 178187348 /nfs/dbraw/zinc/18/73/48/178187348.db2.gz OWXFXNKBXSWKJC-LBPRGKRZSA-N 1 2 231.343 3.429 20 0 BGADLO CCC(CC)(CC)CNc1cc(C)[nH+]cn1 ZINC000301623989 168315777 /nfs/dbraw/zinc/31/57/77/168315777.db2.gz FQWRBRGXXZGFHI-UHFFFAOYSA-N 1 2 221.348 3.413 20 0 BGADLO CCOc1cc(C)ccc1CNc1cccc[nH+]1 ZINC000301625816 386860051 /nfs/dbraw/zinc/86/00/51/386860051.db2.gz ZTKSFGOBHVIUEV-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO CC[C@@H]1CCCC[C@H]1N(C)c1cc(C)[nH+]cn1 ZINC000301628218 356555480 /nfs/dbraw/zinc/55/54/80/356555480.db2.gz RLRXFBUBRFCCQK-CHWSQXEVSA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@@H]1CCCC[C@@H]1N(C)c1cc(C)[nH+]cn1 ZINC000301628219 356555389 /nfs/dbraw/zinc/55/53/89/356555389.db2.gz RLRXFBUBRFCCQK-OLZOCXBDSA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@H]1CCCC[C@H]1N(C)c1cc(C)[nH+]cn1 ZINC000301628221 386861136 /nfs/dbraw/zinc/86/11/36/386861136.db2.gz RLRXFBUBRFCCQK-QWHCGFSZSA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@H]1CCCC[C@@H]1N(C)c1cc(C)[nH+]cn1 ZINC000301628223 187371280 /nfs/dbraw/zinc/37/12/80/187371280.db2.gz RLRXFBUBRFCCQK-STQMWFEESA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@H](C)N(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301635155 171310333 /nfs/dbraw/zinc/31/03/33/171310333.db2.gz WEOQDGOWTNDFQC-JTQLQIEISA-N 1 2 221.348 3.009 20 0 BGADLO CC[C@@H](C)N(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000301635156 386860502 /nfs/dbraw/zinc/86/05/02/386860502.db2.gz WEOQDGOWTNDFQC-SNVBAGLBSA-N 1 2 221.348 3.009 20 0 BGADLO Cc1cc(NC(C)(C)CC(C)(C)C)nc[nH+]1 ZINC000301636041 178152347 /nfs/dbraw/zinc/15/23/47/178152347.db2.gz WSBLMBFZXODDFG-UHFFFAOYSA-N 1 2 221.348 3.412 20 0 BGADLO Cc1cc(N2[C@@H](C)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301641272 178122261 /nfs/dbraw/zinc/12/22/61/178122261.db2.gz GOUCBTJACLFMCM-RYUDHWBXSA-N 1 2 233.359 3.286 20 0 BGADLO Cc1cc(N2[C@H](C)CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000301641273 178122566 /nfs/dbraw/zinc/12/25/66/178122566.db2.gz GOUCBTJACLFMCM-TXEJJXNPSA-N 1 2 233.359 3.286 20 0 BGADLO Cc1cc(N2[C@H](C)CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000301641275 178122587 /nfs/dbraw/zinc/12/25/87/178122587.db2.gz GOUCBTJACLFMCM-VXGBXAGGSA-N 1 2 233.359 3.286 20 0 BGADLO CCC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000301641487 535728784 /nfs/dbraw/zinc/72/87/84/535728784.db2.gz BKMYWCLWTQMWII-AWEZNQCLSA-N 1 2 247.386 3.418 20 0 BGADLO CCC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000301641488 132256012 /nfs/dbraw/zinc/25/60/12/132256012.db2.gz BKMYWCLWTQMWII-CQSZACIVSA-N 1 2 247.386 3.418 20 0 BGADLO Cc1cc(N2CCC[C@H](CC(C)C)C2)nc[nH+]1 ZINC000301646178 132255676 /nfs/dbraw/zinc/25/56/76/132255676.db2.gz PMIICKRAKDQDOT-CYBMUJFWSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1cc(N2CCC[C@@H](CC(C)C)C2)nc[nH+]1 ZINC000301646180 132255955 /nfs/dbraw/zinc/25/59/55/132255955.db2.gz PMIICKRAKDQDOT-ZDUSSCGKSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1cc(N2CCC(CC(C)C)CC2)nc[nH+]1 ZINC000301646410 132255892 /nfs/dbraw/zinc/25/58/92/132255892.db2.gz HYMNFDWMZAVDKN-UHFFFAOYSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1cc(N2CCC(CCC(C)C)CC2)nc[nH+]1 ZINC000301649352 132255870 /nfs/dbraw/zinc/25/58/70/132255870.db2.gz PDQWJWGEQVCYPG-UHFFFAOYSA-N 1 2 247.386 3.438 20 0 BGADLO CC[C@@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301650007 386863030 /nfs/dbraw/zinc/86/30/30/386863030.db2.gz JHAJGHZFFZVHCM-LLVKDONJSA-N 1 2 221.348 3.143 20 0 BGADLO CC[C@H](C)N(C)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301650010 171309286 /nfs/dbraw/zinc/30/92/86/171309286.db2.gz JHAJGHZFFZVHCM-NSHDSACASA-N 1 2 221.348 3.143 20 0 BGADLO CC(C)C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301655254 132224331 /nfs/dbraw/zinc/22/43/31/132224331.db2.gz UUZHXQVEELNVPW-CYBMUJFWSA-N 1 2 218.344 3.344 20 0 BGADLO CC(C)C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000301655255 132256032 /nfs/dbraw/zinc/25/60/32/132256032.db2.gz UUZHXQVEELNVPW-ZDUSSCGKSA-N 1 2 218.344 3.344 20 0 BGADLO COc1cccc2c1CC[C@H]2Nc1cccc[nH+]1 ZINC000301668189 175303189 /nfs/dbraw/zinc/30/31/89/175303189.db2.gz XTPRVNIYFCJSOJ-CYBMUJFWSA-N 1 2 240.306 3.190 20 0 BGADLO COc1cccc2c1CC[C@@H]2Nc1cccc[nH+]1 ZINC000301668191 175302297 /nfs/dbraw/zinc/30/22/97/175302297.db2.gz XTPRVNIYFCJSOJ-ZDUSSCGKSA-N 1 2 240.306 3.190 20 0 BGADLO Cc1nc(N2CC[C@@H](CC(C)C)C2)c(C)c(C)[nH+]1 ZINC000301668910 386865467 /nfs/dbraw/zinc/86/54/67/386865467.db2.gz DLHVDCLOHSCNMA-AWEZNQCLSA-N 1 2 247.386 3.274 20 0 BGADLO Cc1nc(N2CC[C@H](CC(C)C)C2)c(C)c(C)[nH+]1 ZINC000301668911 386866144 /nfs/dbraw/zinc/86/61/44/386866144.db2.gz DLHVDCLOHSCNMA-CQSZACIVSA-N 1 2 247.386 3.274 20 0 BGADLO Cc1nc(Nc2ccc(F)cc2)c(C)c(C)[nH+]1 ZINC000301672564 386670358 /nfs/dbraw/zinc/67/03/58/386670358.db2.gz GAJAGRTUMRBHIS-UHFFFAOYSA-N 1 2 231.274 3.285 20 0 BGADLO Cc1nc(N2C[C@@H]3CCCC[C@H]3C2)c(C)c(C)[nH+]1 ZINC000301672681 386865049 /nfs/dbraw/zinc/86/50/49/386865049.db2.gz GEYVXAZDCQJLBH-KBPBESRZSA-N 1 2 245.370 3.028 20 0 BGADLO Cc1nc(N2C[C@@H]3CCCC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000301673131 386865514 /nfs/dbraw/zinc/86/55/14/386865514.db2.gz GEYVXAZDCQJLBH-OKILXGFUSA-N 1 2 245.370 3.028 20 0 BGADLO Cc1nc(N2C[C@H]3CCCC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000301673134 386866429 /nfs/dbraw/zinc/86/64/29/386866429.db2.gz GEYVXAZDCQJLBH-ZIAGYGMSSA-N 1 2 245.370 3.028 20 0 BGADLO Cc1nc(N2CCC(C(C)C)CC2)c(C)c(C)[nH+]1 ZINC000301673776 132256018 /nfs/dbraw/zinc/25/60/18/132256018.db2.gz GKHSIFXNBPENNS-UHFFFAOYSA-N 1 2 247.386 3.274 20 0 BGADLO CC(C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000301673869 132255997 /nfs/dbraw/zinc/25/59/97/132255997.db2.gz RKPQHOFYYYHDOW-UHFFFAOYSA-N 1 2 218.344 3.344 20 0 BGADLO CCC[C@H]1[C@@H](C)CCCN1c1cc(C)[nH+]cn1 ZINC000301674341 132256305 /nfs/dbraw/zinc/25/63/05/132256305.db2.gz GUOOOVYKHKUKLA-AAEUAGOBSA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@@H]1[C@H](C)CCCN1c1cc(C)[nH+]cn1 ZINC000301674342 535509718 /nfs/dbraw/zinc/50/97/18/535509718.db2.gz GUOOOVYKHKUKLA-DGCLKSJQSA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@@H]1[C@@H](C)CCCN1c1cc(C)[nH+]cn1 ZINC000301674343 535507269 /nfs/dbraw/zinc/50/72/69/535507269.db2.gz GUOOOVYKHKUKLA-WCQYABFASA-N 1 2 233.359 3.190 20 0 BGADLO CCC[C@H]1[C@H](C)CCCN1c1cc(C)[nH+]cn1 ZINC000301674344 132256316 /nfs/dbraw/zinc/25/63/16/132256316.db2.gz GUOOOVYKHKUKLA-YPMHNXCESA-N 1 2 233.359 3.190 20 0 BGADLO COCCCN(C)c1[nH+]c2ccccc2cc1C ZINC000301678483 174220651 /nfs/dbraw/zinc/22/06/51/174220651.db2.gz DMBNCXJOLPTVQZ-UHFFFAOYSA-N 1 2 244.338 3.016 20 0 BGADLO Cc1cc(NC2CCC(C(C)C)CC2)nc[nH+]1 ZINC000301686560 178154822 /nfs/dbraw/zinc/15/48/22/178154822.db2.gz VXTLNMXSABGPKQ-UHFFFAOYSA-N 1 2 233.359 3.412 20 0 BGADLO Cc1nc(N2CCCC(C)(C)CC2)c(C)c(C)[nH+]1 ZINC000301687281 386867858 /nfs/dbraw/zinc/86/78/58/386867858.db2.gz MEZZQIVGWRIDBY-UHFFFAOYSA-N 1 2 247.386 3.418 20 0 BGADLO Cc1nc(N(C)Cc2ccsc2)c(C)c(C)[nH+]1 ZINC000301690146 386867396 /nfs/dbraw/zinc/86/73/96/386867396.db2.gz NESKMUBIYLWMDB-UHFFFAOYSA-N 1 2 247.367 3.100 20 0 BGADLO CCN(CC1CC1)c1cc(C)[nH+]c(C(C)C)n1 ZINC000301693712 386867833 /nfs/dbraw/zinc/86/78/33/386867833.db2.gz ZQCCLBUCDFJRSI-UHFFFAOYSA-N 1 2 233.359 3.145 20 0 BGADLO CCCN(C)c1[nH+]c2ccccc2cc1C ZINC000301695338 169090114 /nfs/dbraw/zinc/09/01/14/169090114.db2.gz MMLBVUXCXMPQRG-UHFFFAOYSA-N 1 2 214.312 3.389 20 0 BGADLO CC[C@@]1(C)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000301697276 536040737 /nfs/dbraw/zinc/04/07/37/536040737.db2.gz QLRAGXYNHGNUBM-HNNXBMFYSA-N 1 2 247.386 3.418 20 0 BGADLO CC[C@]1(C)CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000301697278 132256334 /nfs/dbraw/zinc/25/63/34/132256334.db2.gz QLRAGXYNHGNUBM-OAHLLOKOSA-N 1 2 247.386 3.418 20 0 BGADLO CC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000301698135 132256166 /nfs/dbraw/zinc/25/61/66/132256166.db2.gz QUAZTRKSSBNFRV-CYBMUJFWSA-N 1 2 233.359 3.028 20 0 BGADLO CC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000301698137 132256192 /nfs/dbraw/zinc/25/61/92/132256192.db2.gz QUAZTRKSSBNFRV-ZDUSSCGKSA-N 1 2 233.359 3.028 20 0 BGADLO Cc1nc(N2CCC3(CCCC3)C2)c(C)c(C)[nH+]1 ZINC000301705165 386870748 /nfs/dbraw/zinc/87/07/48/386870748.db2.gz VGHZWPORINAGDT-UHFFFAOYSA-N 1 2 245.370 3.172 20 0 BGADLO CCc1ccc(NCc2[nH+]ccn2CC)cc1C ZINC000301720116 385400126 /nfs/dbraw/zinc/40/01/26/385400126.db2.gz UAXRFJBEMRHKRA-UHFFFAOYSA-N 1 2 243.354 3.386 20 0 BGADLO CCC1(CC)[C@H](OC)C[C@H]1N(C)c1cccc[nH+]1 ZINC000301722187 386872939 /nfs/dbraw/zinc/87/29/39/386872939.db2.gz RDYVCVBNUILARX-CHWSQXEVSA-N 1 2 248.370 3.112 20 0 BGADLO CCC1(CC)[C@H](N(C)c2cccc[nH+]2)C[C@@H]1OC ZINC000301722188 386872140 /nfs/dbraw/zinc/87/21/40/386872140.db2.gz RDYVCVBNUILARX-OLZOCXBDSA-N 1 2 248.370 3.112 20 0 BGADLO CCC1(CC)[C@H](OC)C[C@@H]1N(C)c1cccc[nH+]1 ZINC000301722189 386873362 /nfs/dbraw/zinc/87/33/62/386873362.db2.gz RDYVCVBNUILARX-QWHCGFSZSA-N 1 2 248.370 3.112 20 0 BGADLO CCC1(CC)[C@@H](OC)C[C@@H]1N(C)c1cccc[nH+]1 ZINC000301722190 386873091 /nfs/dbraw/zinc/87/30/91/386873091.db2.gz RDYVCVBNUILARX-STQMWFEESA-N 1 2 248.370 3.112 20 0 BGADLO CSCCN(C)c1[nH+]c2ccccc2cc1C ZINC000301724711 386873164 /nfs/dbraw/zinc/87/31/64/386873164.db2.gz PAWIDUABBRQFET-UHFFFAOYSA-N 1 2 246.379 3.342 20 0 BGADLO Cc1cccc(C)c1CCNc1cccc[nH+]1 ZINC000301725666 179033803 /nfs/dbraw/zinc/03/38/03/179033803.db2.gz UWNCFSRQVVCGLI-UHFFFAOYSA-N 1 2 226.323 3.353 20 0 BGADLO CCC1(CC)[C@H](Nc2cccc[nH+]2)C[C@@H]1OC ZINC000301731282 386873644 /nfs/dbraw/zinc/87/36/44/386873644.db2.gz XSIBBHPWIZWRLQ-NEPJUHHUSA-N 1 2 234.343 3.087 20 0 BGADLO CCC1(CC)[C@H](OC)C[C@@H]1Nc1cccc[nH+]1 ZINC000301731284 386873400 /nfs/dbraw/zinc/87/34/00/386873400.db2.gz XSIBBHPWIZWRLQ-NWDGAFQWSA-N 1 2 234.343 3.087 20 0 BGADLO CCC1(CC)[C@@H](Nc2cccc[nH+]2)C[C@@H]1OC ZINC000301731286 386873559 /nfs/dbraw/zinc/87/35/59/386873559.db2.gz XSIBBHPWIZWRLQ-RYUDHWBXSA-N 1 2 234.343 3.087 20 0 BGADLO CCC1(CC)[C@H](Nc2cccc[nH+]2)C[C@H]1OC ZINC000301731288 386872466 /nfs/dbraw/zinc/87/24/66/386872466.db2.gz XSIBBHPWIZWRLQ-VXGBXAGGSA-N 1 2 234.343 3.087 20 0 BGADLO CCc1ccc(N[C@H](C)c2[nH+]ccn2C)cc1C ZINC000301733869 385402564 /nfs/dbraw/zinc/40/25/64/385402564.db2.gz PNKVIMKIKHGOKW-GFCCVEGCSA-N 1 2 243.354 3.464 20 0 BGADLO CCc1ccc(N[C@@H](C)c2[nH+]ccn2C)cc1C ZINC000301733870 385402319 /nfs/dbraw/zinc/40/23/19/385402319.db2.gz PNKVIMKIKHGOKW-LBPRGKRZSA-N 1 2 243.354 3.464 20 0 BGADLO CC(C)(C)c1cc(N2CCC2)nc(C(C)(C)C)[nH+]1 ZINC000301738669 187206666 /nfs/dbraw/zinc/20/66/66/187206666.db2.gz SOOKGBUHWUUQQI-UHFFFAOYSA-N 1 2 247.386 3.282 20 0 BGADLO CC(C)C[C@H]1CCCCN1c1cccc[nH+]1 ZINC000301740812 132256720 /nfs/dbraw/zinc/25/67/20/132256720.db2.gz KRVRZOLYFAXSSI-CYBMUJFWSA-N 1 2 218.344 3.487 20 0 BGADLO CC(C)C[C@@H]1CCCCN1c1cccc[nH+]1 ZINC000301740813 132256790 /nfs/dbraw/zinc/25/67/90/132256790.db2.gz KRVRZOLYFAXSSI-ZDUSSCGKSA-N 1 2 218.344 3.487 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C)C1 ZINC000301741754 178298801 /nfs/dbraw/zinc/29/88/01/178298801.db2.gz YHCFLQFAOKBYCE-LLVKDONJSA-N 1 2 226.323 3.389 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CC[C@H](C)C1 ZINC000301741755 178299064 /nfs/dbraw/zinc/29/90/64/178299064.db2.gz YHCFLQFAOKBYCE-NSHDSACASA-N 1 2 226.323 3.389 20 0 BGADLO c1c2ccccc2[nH]c1CCNc1cccc[nH+]1 ZINC000301747730 386874506 /nfs/dbraw/zinc/87/45/06/386874506.db2.gz RFJLWQGMOAFQMK-UHFFFAOYSA-N 1 2 237.306 3.218 20 0 BGADLO Cc1cc(N(C)CCC2CC2)nc(C(C)C)[nH+]1 ZINC000301756586 178098411 /nfs/dbraw/zinc/09/84/11/178098411.db2.gz DSTBFRUNAOXQBV-UHFFFAOYSA-N 1 2 233.359 3.145 20 0 BGADLO CCCN(Cc1ccccc1)c1cc(C)[nH+]cn1 ZINC000301763005 169177177 /nfs/dbraw/zinc/17/71/77/169177177.db2.gz MUHOUQCZDUGHJX-UHFFFAOYSA-N 1 2 241.338 3.202 20 0 BGADLO CN(CCC1CC1)c1ccc2ccccc2[nH+]1 ZINC000301765171 386673013 /nfs/dbraw/zinc/67/30/13/386673013.db2.gz HPZNXGMLVDJJHG-UHFFFAOYSA-N 1 2 226.323 3.471 20 0 BGADLO Cc1cc(NCC(C)(C)C2CCCC2)nc[nH+]1 ZINC000301773595 178156640 /nfs/dbraw/zinc/15/66/40/178156640.db2.gz MFGUUFREBXGPLA-UHFFFAOYSA-N 1 2 233.359 3.413 20 0 BGADLO CCC(CC)CN(CC)c1cc(C)[nH+]cn1 ZINC000301773865 168350144 /nfs/dbraw/zinc/35/01/44/168350144.db2.gz FRPWUMIBUFGDHH-UHFFFAOYSA-N 1 2 221.348 3.048 20 0 BGADLO Cc1nc(N2CC[C@@H](C)C[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301775584 386877472 /nfs/dbraw/zinc/87/74/72/386877472.db2.gz NXQPYBZDZADHMR-GHMZBOCLSA-N 1 2 247.386 3.274 20 0 BGADLO Cc1nc(N2CC[C@@H](C)C[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301775585 386878332 /nfs/dbraw/zinc/87/83/32/386878332.db2.gz NXQPYBZDZADHMR-MNOVXSKESA-N 1 2 247.386 3.274 20 0 BGADLO Cc1nc(N2CC[C@H](C)C[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301775586 386876908 /nfs/dbraw/zinc/87/69/08/386876908.db2.gz NXQPYBZDZADHMR-QWRGUYRKSA-N 1 2 247.386 3.274 20 0 BGADLO Cc1nc(N2CC[C@H](C)C[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301775587 386877725 /nfs/dbraw/zinc/87/77/25/386877725.db2.gz NXQPYBZDZADHMR-WDEREUQCSA-N 1 2 247.386 3.274 20 0 BGADLO CCN(Cc1ccccc1C)c1cc(C)[nH+]cn1 ZINC000301777025 356574735 /nfs/dbraw/zinc/57/47/35/356574735.db2.gz RGCGGLYQPTVODX-UHFFFAOYSA-N 1 2 241.338 3.120 20 0 BGADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H](C)C1 ZINC000301779688 176181801 /nfs/dbraw/zinc/18/18/01/176181801.db2.gz QZUWSVLDKXENOE-NEPJUHHUSA-N 1 2 245.370 3.226 20 0 BGADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C[C@@H](C)C1 ZINC000301779690 177310233 /nfs/dbraw/zinc/31/02/33/177310233.db2.gz QZUWSVLDKXENOE-RYUDHWBXSA-N 1 2 245.370 3.226 20 0 BGADLO CC(C)(C)c1nc(NCC2(C3CC3)CC2)cc[nH+]1 ZINC000301787356 386878053 /nfs/dbraw/zinc/87/80/53/386878053.db2.gz WZKHBRRKPWLPDE-UHFFFAOYSA-N 1 2 245.370 3.376 20 0 BGADLO CC(C)c1cc(N2CCCC2)nc(C(C)C)[nH+]1 ZINC000301798729 386879303 /nfs/dbraw/zinc/87/93/03/386879303.db2.gz BFDWUHGDBSBKRZ-UHFFFAOYSA-N 1 2 233.359 3.324 20 0 BGADLO CC[C@@H](Nc1cccc[nH+]1)c1c(C)noc1C ZINC000301812475 356580398 /nfs/dbraw/zinc/58/03/98/356580398.db2.gz FDQBCISCEYVHQC-LLVKDONJSA-N 1 2 231.299 3.250 20 0 BGADLO CC[C@H](Nc1cccc[nH+]1)c1c(C)noc1C ZINC000301812476 386880365 /nfs/dbraw/zinc/88/03/65/386880365.db2.gz FDQBCISCEYVHQC-NSHDSACASA-N 1 2 231.299 3.250 20 0 BGADLO CCCCNc1nc(C)[nH+]c2ccc(OC)cc21 ZINC000301829350 386880957 /nfs/dbraw/zinc/88/09/57/386880957.db2.gz RANXOYHUFBBBIV-UHFFFAOYSA-N 1 2 245.326 3.159 20 0 BGADLO c1ccc(N2CCc3c([nH]c4ccccc43)C2)[nH+]c1 ZINC000301829834 132258264 /nfs/dbraw/zinc/25/82/64/132258264.db2.gz HBZGZTBRDZEXRV-UHFFFAOYSA-N 1 2 249.317 3.126 20 0 BGADLO c1nc(NCC2CC2)cc(NC2CCCCC2)[nH+]1 ZINC000301834683 386882855 /nfs/dbraw/zinc/88/28/55/386882855.db2.gz SZSXCVFGCGBMET-UHFFFAOYSA-N 1 2 246.358 3.043 20 0 BGADLO c1nc(NC2CCCCC2)cc(NCC2CC2)[nH+]1 ZINC000301834683 386882849 /nfs/dbraw/zinc/88/28/49/386882849.db2.gz SZSXCVFGCGBMET-UHFFFAOYSA-N 1 2 246.358 3.043 20 0 BGADLO C[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)C1CCC1 ZINC000301844048 386884860 /nfs/dbraw/zinc/88/48/60/386884860.db2.gz LKRIBUOSBZJILZ-JTQLQIEISA-N 1 2 233.359 3.375 20 0 BGADLO C[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)C1CCC1 ZINC000301844329 386884412 /nfs/dbraw/zinc/88/44/12/386884412.db2.gz LKRIBUOSBZJILZ-SNVBAGLBSA-N 1 2 233.359 3.375 20 0 BGADLO C[C@H](Nc1cccc[nH+]1)[C@@H]1COc2ccccc21 ZINC000301849199 386884601 /nfs/dbraw/zinc/88/46/01/386884601.db2.gz OLYCJWAKVMJKDQ-AAEUAGOBSA-N 1 2 240.306 3.058 20 0 BGADLO C[C@@H](Nc1cccc[nH+]1)[C@H]1COc2ccccc21 ZINC000301849200 386885120 /nfs/dbraw/zinc/88/51/20/386885120.db2.gz OLYCJWAKVMJKDQ-DGCLKSJQSA-N 1 2 240.306 3.058 20 0 BGADLO C[C@H](Nc1cccc[nH+]1)[C@H]1COc2ccccc21 ZINC000301849201 386885239 /nfs/dbraw/zinc/88/52/39/386885239.db2.gz OLYCJWAKVMJKDQ-WCQYABFASA-N 1 2 240.306 3.058 20 0 BGADLO C[C@@H](Nc1cccc[nH+]1)[C@@H]1COc2ccccc21 ZINC000301849202 386884210 /nfs/dbraw/zinc/88/42/10/386884210.db2.gz OLYCJWAKVMJKDQ-YPMHNXCESA-N 1 2 240.306 3.058 20 0 BGADLO C[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301851574 176104463 /nfs/dbraw/zinc/10/44/63/176104463.db2.gz BHMYERZOCMDOBF-LLVKDONJSA-N 1 2 229.327 3.189 20 0 BGADLO C[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301851576 177105339 /nfs/dbraw/zinc/10/53/39/177105339.db2.gz BHMYERZOCMDOBF-NSHDSACASA-N 1 2 229.327 3.189 20 0 BGADLO CC(C)CSCCCNc1cccc[nH+]1 ZINC000301855748 187302700 /nfs/dbraw/zinc/30/27/00/187302700.db2.gz RAMWMROKSNVUER-UHFFFAOYSA-N 1 2 224.373 3.273 20 0 BGADLO c1ccc(NCCC2Cc3ccccc3C2)[nH+]c1 ZINC000301857033 386884270 /nfs/dbraw/zinc/88/42/70/386884270.db2.gz RRRJKWWGIYSUFU-UHFFFAOYSA-N 1 2 238.334 3.299 20 0 BGADLO Cc1occc1CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000301859492 386887300 /nfs/dbraw/zinc/88/73/00/386887300.db2.gz FDBMNGQWYJBQIE-UHFFFAOYSA-N 1 2 241.294 3.101 20 0 BGADLO C[C@H](N(C)c1[nH]c2ccccc2[nH+]1)C1(C)CC1 ZINC000301860561 386887548 /nfs/dbraw/zinc/88/75/48/386887548.db2.gz CCVOZSNPJHXNBE-JTQLQIEISA-N 1 2 229.327 3.188 20 0 BGADLO C[C@@H](N(C)c1[nH]c2ccccc2[nH+]1)C1(C)CC1 ZINC000301860563 386887509 /nfs/dbraw/zinc/88/75/09/386887509.db2.gz CCVOZSNPJHXNBE-SNVBAGLBSA-N 1 2 229.327 3.188 20 0 BGADLO CCN(Cc1ccoc1)c1[nH]c2ccccc2[nH+]1 ZINC000301862575 356584884 /nfs/dbraw/zinc/58/48/84/356584884.db2.gz GEDZTXKYFMKLIX-UHFFFAOYSA-N 1 2 241.294 3.182 20 0 BGADLO CC[C@H](C)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000301865185 171276143 /nfs/dbraw/zinc/27/61/43/171276143.db2.gz HBGFNTWJXFZUDH-JTQLQIEISA-N 1 2 217.316 3.045 20 0 BGADLO CC[C@@H](C)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000301865187 386887124 /nfs/dbraw/zinc/88/71/24/386887124.db2.gz HBGFNTWJXFZUDH-SNVBAGLBSA-N 1 2 217.316 3.045 20 0 BGADLO Cc1c[nH+]ccc1CCNc1ccnc(Cl)c1 ZINC000301865673 386887610 /nfs/dbraw/zinc/88/76/10/386887610.db2.gz VEOIKBZWBYWTGD-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO c1ccc2[nH+]c(N3C[C@@H]4CCCC[C@H]4C3)[nH]c2c1 ZINC000301866773 134156833 /nfs/dbraw/zinc/15/68/33/134156833.db2.gz HMJAXAPTDKETJM-RYUDHWBXSA-N 1 2 241.338 3.189 20 0 BGADLO c1ccc2[nH+]c(N3C[C@@H]4CCCC[C@@H]4C3)[nH]c2c1 ZINC000301866774 134156685 /nfs/dbraw/zinc/15/66/85/134156685.db2.gz HMJAXAPTDKETJM-TXEJJXNPSA-N 1 2 241.338 3.189 20 0 BGADLO c1ccc2[nH+]c(N3C[C@H]4CCCC[C@@H]4C3)[nH]c2c1 ZINC000301866775 134156976 /nfs/dbraw/zinc/15/69/76/134156976.db2.gz HMJAXAPTDKETJM-VXGBXAGGSA-N 1 2 241.338 3.189 20 0 BGADLO CC(C)CCCNc1nc(N)c2ccccc2[nH+]1 ZINC000301873183 166818429 /nfs/dbraw/zinc/81/84/29/166818429.db2.gz JIWXPENWFBARKC-UHFFFAOYSA-N 1 2 244.342 3.060 20 0 BGADLO CC(C)(C)c1nc(NC2(C)CCC2)cc[nH+]1 ZINC000301877994 168065602 /nfs/dbraw/zinc/06/56/02/168065602.db2.gz YWQTZJYYEYEYLK-UHFFFAOYSA-N 1 2 219.332 3.129 20 0 BGADLO c1ccc2[nH+]c(N3CC[C@H]4CCCC[C@H]43)[nH]c2c1 ZINC000301889873 386886713 /nfs/dbraw/zinc/88/67/13/386886713.db2.gz QRKIDUDABVHBDG-BXUZGUMPSA-N 1 2 241.338 3.332 20 0 BGADLO c1ccc2[nH+]c(N3CCC4(CCCC4)C3)[nH]c2c1 ZINC000301891475 386887709 /nfs/dbraw/zinc/88/77/09/386887709.db2.gz RMZWEXOQBAEWSO-UHFFFAOYSA-N 1 2 241.338 3.333 20 0 BGADLO CCC(CC)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301892186 168366766 /nfs/dbraw/zinc/36/67/66/168366766.db2.gz RVQOJTPQZRZDCV-UHFFFAOYSA-N 1 2 244.342 3.060 20 0 BGADLO CC[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000301893687 356586734 /nfs/dbraw/zinc/58/67/34/356586734.db2.gz SLBJWUXKLAESGY-LLVKDONJSA-N 1 2 229.327 3.189 20 0 BGADLO CC[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000301893688 386889784 /nfs/dbraw/zinc/88/97/84/386889784.db2.gz SLBJWUXKLAESGY-NSHDSACASA-N 1 2 229.327 3.189 20 0 BGADLO CC(C)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000301894764 386888808 /nfs/dbraw/zinc/88/88/08/386888808.db2.gz TUFHGNMGQRIWRP-UHFFFAOYSA-N 1 2 243.354 3.435 20 0 BGADLO CC(C)C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000301895134 386889160 /nfs/dbraw/zinc/88/91/60/386889160.db2.gz TWRYVSDVPTXWAY-GFCCVEGCSA-N 1 2 243.354 3.435 20 0 BGADLO CC(C)C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000301895135 386888561 /nfs/dbraw/zinc/88/85/61/386888561.db2.gz TWRYVSDVPTXWAY-LBPRGKRZSA-N 1 2 243.354 3.435 20 0 BGADLO CSCC[C@H](C)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000301900590 386888875 /nfs/dbraw/zinc/88/88/75/386888875.db2.gz ZFTBNPDIDUWUQP-JTQLQIEISA-N 1 2 249.383 3.141 20 0 BGADLO CSCC[C@@H](C)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000301900591 386889315 /nfs/dbraw/zinc/88/93/15/386889315.db2.gz ZFTBNPDIDUWUQP-SNVBAGLBSA-N 1 2 249.383 3.141 20 0 BGADLO c1ccc2[nH+]c(N(CC3CC3)CC3CC3)[nH]c2c1 ZINC000301900992 386889847 /nfs/dbraw/zinc/88/98/47/386889847.db2.gz ZRPROVSKWAHFMM-UHFFFAOYSA-N 1 2 241.338 3.189 20 0 BGADLO CC(C)C[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301901766 386889727 /nfs/dbraw/zinc/88/97/27/386889727.db2.gz NSKAQXBPSQCJGW-JTQLQIEISA-N 1 2 244.342 3.059 20 0 BGADLO CC(C)C[C@@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301901867 187206600 /nfs/dbraw/zinc/20/66/00/187206600.db2.gz NSKAQXBPSQCJGW-SNVBAGLBSA-N 1 2 244.342 3.059 20 0 BGADLO CC[C@@H](C)[C@@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301908939 386890023 /nfs/dbraw/zinc/89/00/23/386890023.db2.gz ROUIFGZMHBJYQF-NXEZZACHSA-N 1 2 244.342 3.059 20 0 BGADLO CC[C@H](C)[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301908940 171391634 /nfs/dbraw/zinc/39/16/34/171391634.db2.gz ROUIFGZMHBJYQF-UWVGGRQHSA-N 1 2 244.342 3.059 20 0 BGADLO CC[C@H](C)[C@@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301908941 171367999 /nfs/dbraw/zinc/36/79/99/171367999.db2.gz ROUIFGZMHBJYQF-VHSXEESVSA-N 1 2 244.342 3.059 20 0 BGADLO CC[C@@H](C)[C@H](C)Nc1nc(N)c2ccccc2[nH+]1 ZINC000301908942 170791853 /nfs/dbraw/zinc/79/18/53/170791853.db2.gz ROUIFGZMHBJYQF-ZJUUUORDSA-N 1 2 244.342 3.059 20 0 BGADLO C[C@@H]1CC[C@H](C)N1c1cc(C(F)(F)F)cc[nH+]1 ZINC000301910294 177187366 /nfs/dbraw/zinc/18/73/66/177187366.db2.gz SCKFCYMAHYAMDC-DTORHVGOSA-N 1 2 244.260 3.478 20 0 BGADLO C[C@H]1CC[C@H](C)N1c1cc(C(F)(F)F)cc[nH+]1 ZINC000301910295 177200026 /nfs/dbraw/zinc/20/00/26/177200026.db2.gz SCKFCYMAHYAMDC-IUCAKERBSA-N 1 2 244.260 3.478 20 0 BGADLO C[C@@H]1CC[C@@H](C)N1c1cc(C(F)(F)F)cc[nH+]1 ZINC000301910296 176199999 /nfs/dbraw/zinc/19/99/99/176199999.db2.gz SCKFCYMAHYAMDC-RKDXNWHRSA-N 1 2 244.260 3.478 20 0 BGADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1C ZINC000301913670 176321227 /nfs/dbraw/zinc/32/12/27/176321227.db2.gz HUIOPMQSDLBLQL-GHMZBOCLSA-N 1 2 229.327 3.045 20 0 BGADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1C ZINC000301913671 176182554 /nfs/dbraw/zinc/18/25/54/176182554.db2.gz HUIOPMQSDLBLQL-MNOVXSKESA-N 1 2 229.327 3.045 20 0 BGADLO C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CC[C@@H]1C ZINC000301913893 177171929 /nfs/dbraw/zinc/17/19/29/177171929.db2.gz HUIOPMQSDLBLQL-QWRGUYRKSA-N 1 2 229.327 3.045 20 0 BGADLO C[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1C ZINC000301913895 177172357 /nfs/dbraw/zinc/17/23/57/177172357.db2.gz HUIOPMQSDLBLQL-WDEREUQCSA-N 1 2 229.327 3.045 20 0 BGADLO CC1(CNc2cccc[nH+]2)Cc2ccccc2C1 ZINC000301925339 168048478 /nfs/dbraw/zinc/04/84/78/168048478.db2.gz GSLUIHNROXIWOO-UHFFFAOYSA-N 1 2 238.334 3.299 20 0 BGADLO Cc1cc(N2CC[C@@H](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301929865 132259128 /nfs/dbraw/zinc/25/91/28/132259128.db2.gz NXIGYVJFKDJKHV-NEPJUHHUSA-N 1 2 247.386 3.391 20 0 BGADLO Cc1cc(N2CC[C@H](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301929866 132259103 /nfs/dbraw/zinc/25/91/03/132259103.db2.gz NXIGYVJFKDJKHV-NWDGAFQWSA-N 1 2 247.386 3.391 20 0 BGADLO Cc1cc(N2CC[C@H](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301929867 132258885 /nfs/dbraw/zinc/25/88/85/132258885.db2.gz NXIGYVJFKDJKHV-RYUDHWBXSA-N 1 2 247.386 3.391 20 0 BGADLO Cc1cc(N2CC[C@@H](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000301929868 132259094 /nfs/dbraw/zinc/25/90/94/132259094.db2.gz NXIGYVJFKDJKHV-VXGBXAGGSA-N 1 2 247.386 3.391 20 0 BGADLO Cc1cc(N[C@H](C)c2cccc(F)c2F)nc[nH+]1 ZINC000301932565 178187923 /nfs/dbraw/zinc/18/79/23/178187923.db2.gz PIOLZKFMVSYPHO-SECBINFHSA-N 1 2 249.264 3.236 20 0 BGADLO Cc1cc(N[C@@H](C)c2cccc(F)c2F)nc[nH+]1 ZINC000301932566 178178207 /nfs/dbraw/zinc/17/82/07/178178207.db2.gz PIOLZKFMVSYPHO-VIFPVBQESA-N 1 2 249.264 3.236 20 0 BGADLO COc1ccc2[nH+]c(C)nc(NCC(C)C)c2c1 ZINC000301968581 175227775 /nfs/dbraw/zinc/22/77/75/175227775.db2.gz POQQHQRGACJUAH-UHFFFAOYSA-N 1 2 245.326 3.015 20 0 BGADLO CC(C)[C@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000301970843 535176675 /nfs/dbraw/zinc/17/66/75/535176675.db2.gz FHVBCOUXJXNNKK-CYBMUJFWSA-N 1 2 245.370 3.369 20 0 BGADLO CC(C)[C@@H]1CCCCN1c1cc[nH+]c(C2CC2)n1 ZINC000301970844 132259450 /nfs/dbraw/zinc/25/94/50/132259450.db2.gz FHVBCOUXJXNNKK-ZDUSSCGKSA-N 1 2 245.370 3.369 20 0 BGADLO Cc1ocnc1CNc1ccc2ccccc2[nH+]1 ZINC000301972833 384949009 /nfs/dbraw/zinc/94/90/09/384949009.db2.gz ITYGJECZTRDIDZ-UHFFFAOYSA-N 1 2 239.278 3.143 20 0 BGADLO CCC(CC)CN(CC)c1cccc[nH+]1 ZINC000301982400 168350310 /nfs/dbraw/zinc/35/03/10/168350310.db2.gz HVTCAUYBUGWJFS-UHFFFAOYSA-N 1 2 206.333 3.344 20 0 BGADLO Cc1nc2c(s1)[C@H](Nc1cccc[nH+]1)CCC2 ZINC000301985247 180073201 /nfs/dbraw/zinc/07/32/01/180073201.db2.gz CIOCGLMLIXVLNZ-LLVKDONJSA-N 1 2 245.351 3.336 20 0 BGADLO Cc1nc2c(s1)[C@@H](Nc1cccc[nH+]1)CCC2 ZINC000301985248 180074605 /nfs/dbraw/zinc/07/46/05/180074605.db2.gz CIOCGLMLIXVLNZ-NSHDSACASA-N 1 2 245.351 3.336 20 0 BGADLO CC[C@@H](CSC)Nc1cc[nH+]c(C(C)C)n1 ZINC000302003269 386895512 /nfs/dbraw/zinc/89/55/12/386895512.db2.gz TWLAKYZHFTYRNA-JTQLQIEISA-N 1 2 239.388 3.154 20 0 BGADLO CC[C@H](CSC)Nc1cc[nH+]c(C(C)C)n1 ZINC000302003271 171466374 /nfs/dbraw/zinc/46/63/74/171466374.db2.gz TWLAKYZHFTYRNA-SNVBAGLBSA-N 1 2 239.388 3.154 20 0 BGADLO CCC(C)(C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000302026954 168303001 /nfs/dbraw/zinc/30/30/01/168303001.db2.gz AEOJBNUVNROOLR-UHFFFAOYSA-N 1 2 233.359 3.264 20 0 BGADLO CC(C)CN(CC(C)C)c1cc[nH+]c(C2CC2)n1 ZINC000302038299 356602695 /nfs/dbraw/zinc/60/26/95/356602695.db2.gz KQMHVVSONLMHFM-UHFFFAOYSA-N 1 2 247.386 3.472 20 0 BGADLO C[C@H]1CC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000302039200 177196884 /nfs/dbraw/zinc/19/68/84/177196884.db2.gz HCWILKSIJYRFQM-GXTWGEPZSA-N 1 2 216.328 3.098 20 0 BGADLO C[C@H]1CC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000302039201 177208747 /nfs/dbraw/zinc/20/87/47/177208747.db2.gz HCWILKSIJYRFQM-JSGCOSHPSA-N 1 2 216.328 3.098 20 0 BGADLO C[C@@H]1CC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000302039202 176238575 /nfs/dbraw/zinc/23/85/75/176238575.db2.gz HCWILKSIJYRFQM-OCCSQVGLSA-N 1 2 216.328 3.098 20 0 BGADLO C[C@@H]1CC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000302039203 176218931 /nfs/dbraw/zinc/21/89/31/176218931.db2.gz HCWILKSIJYRFQM-TZMCWYRMSA-N 1 2 216.328 3.098 20 0 BGADLO Cc1nc(N2CCCC[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302040487 132259945 /nfs/dbraw/zinc/25/99/45/132259945.db2.gz HPORTBKDKAIEDE-LLVKDONJSA-N 1 2 245.370 3.043 20 0 BGADLO Cc1nc(N2CCCC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302040488 132259875 /nfs/dbraw/zinc/25/98/75/132259875.db2.gz HPORTBKDKAIEDE-NSHDSACASA-N 1 2 245.370 3.043 20 0 BGADLO Cc1nc(NCC(C)(C)C)c2c([nH+]1)CCCC2 ZINC000302040725 180067244 /nfs/dbraw/zinc/06/72/44/180067244.db2.gz HUQHDDFXWPYZAR-UHFFFAOYSA-N 1 2 233.359 3.122 20 0 BGADLO CCc1cc(Nc2ccc(F)cc2)nc(C)[nH+]1 ZINC000302041954 386899555 /nfs/dbraw/zinc/89/95/55/386899555.db2.gz IPBOZRYUFGINLO-UHFFFAOYSA-N 1 2 231.274 3.230 20 0 BGADLO Cc1nc(N[C@@H]2CC=CCC2)c2c([nH+]1)CCCC2 ZINC000302071825 180070844 /nfs/dbraw/zinc/07/08/44/180070844.db2.gz YXFYKYWDHSBRPS-GFCCVEGCSA-N 1 2 243.354 3.184 20 0 BGADLO Cc1nc(N[C@H]2CC=CCC2)c2c([nH+]1)CCCC2 ZINC000302071826 180070610 /nfs/dbraw/zinc/07/06/10/180070610.db2.gz YXFYKYWDHSBRPS-LBPRGKRZSA-N 1 2 243.354 3.184 20 0 BGADLO Cc1cc(N(CC(C)C)CC(C)(C)C)nc[nH+]1 ZINC000302072492 178101507 /nfs/dbraw/zinc/10/15/07/178101507.db2.gz UVKCHDXMSBTFIV-UHFFFAOYSA-N 1 2 235.375 3.294 20 0 BGADLO Cc1nc(N[C@@H]2C=CCCC2)c2c([nH+]1)CCCC2 ZINC000302076408 180071066 /nfs/dbraw/zinc/07/10/66/180071066.db2.gz HJTPCHIGTGKREH-GFCCVEGCSA-N 1 2 243.354 3.184 20 0 BGADLO Cc1nc(N[C@H]2C=CCCC2)c2c([nH+]1)CCCC2 ZINC000302076409 180070764 /nfs/dbraw/zinc/07/07/64/180070764.db2.gz HJTPCHIGTGKREH-LBPRGKRZSA-N 1 2 243.354 3.184 20 0 BGADLO Cc1nc(NC2(C)CCC2)c2c([nH+]1)CCCC2 ZINC000302082179 180067767 /nfs/dbraw/zinc/06/77/67/180067767.db2.gz JOSCXCRUSALRCS-UHFFFAOYSA-N 1 2 231.343 3.018 20 0 BGADLO Cc1nc(N2[C@H](C)CC[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302085661 180067975 /nfs/dbraw/zinc/06/79/75/180067975.db2.gz KLVTXJLJSGBCAL-GHMZBOCLSA-N 1 2 245.370 3.041 20 0 BGADLO Cc1nc(N2[C@H](C)CC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302085663 180068309 /nfs/dbraw/zinc/06/83/09/180068309.db2.gz KLVTXJLJSGBCAL-PHIMTYICSA-N 1 2 245.370 3.041 20 0 BGADLO Cc1nc(N2[C@@H](C)CC[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302085664 180068169 /nfs/dbraw/zinc/06/81/69/180068169.db2.gz KLVTXJLJSGBCAL-QWRGUYRKSA-N 1 2 245.370 3.041 20 0 BGADLO CN(C[C@@H]1CC=CCC1)c1cc[nH+]c(C2CC2)n1 ZINC000302114013 386904053 /nfs/dbraw/zinc/90/40/53/386904053.db2.gz BNYKIWRPAVEANA-GFCCVEGCSA-N 1 2 243.354 3.147 20 0 BGADLO CN(C[C@H]1CC=CCC1)c1cc[nH+]c(C2CC2)n1 ZINC000302114014 386903515 /nfs/dbraw/zinc/90/35/15/386903515.db2.gz BNYKIWRPAVEANA-LBPRGKRZSA-N 1 2 243.354 3.147 20 0 BGADLO C[C@H]1C[C@H](c2cccnc2)N(c2cccc[nH+]2)C1 ZINC000302116026 177375019 /nfs/dbraw/zinc/37/50/19/177375019.db2.gz CSZXXAFOFPMQJP-GXTWGEPZSA-N 1 2 239.322 3.064 20 0 BGADLO C[C@H]1C[C@@H](c2cccnc2)N(c2cccc[nH+]2)C1 ZINC000302116032 177339530 /nfs/dbraw/zinc/33/95/30/177339530.db2.gz CSZXXAFOFPMQJP-JSGCOSHPSA-N 1 2 239.322 3.064 20 0 BGADLO C[C@@H]1C[C@@H](c2cccnc2)N(c2cccc[nH+]2)C1 ZINC000302116034 386903009 /nfs/dbraw/zinc/90/30/09/386903009.db2.gz CSZXXAFOFPMQJP-OCCSQVGLSA-N 1 2 239.322 3.064 20 0 BGADLO C[C@@H]1C[C@H](c2cccnc2)N(c2cccc[nH+]2)C1 ZINC000302116039 386904225 /nfs/dbraw/zinc/90/42/25/386904225.db2.gz CSZXXAFOFPMQJP-TZMCWYRMSA-N 1 2 239.322 3.064 20 0 BGADLO Cc1nc(N[C@@H](C)C2CCC2)c2c([nH+]1)CCCC2 ZINC000302121603 180070864 /nfs/dbraw/zinc/07/08/64/180070864.db2.gz YEWHCLGTARZPBC-JTQLQIEISA-N 1 2 245.370 3.264 20 0 BGADLO Cc1nc(N[C@H](C)C2CCC2)c2c([nH+]1)CCCC2 ZINC000302121604 180070635 /nfs/dbraw/zinc/07/06/35/180070635.db2.gz YEWHCLGTARZPBC-SNVBAGLBSA-N 1 2 245.370 3.264 20 0 BGADLO Cc1ccc([C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000302122018 386905173 /nfs/dbraw/zinc/90/51/73/386905173.db2.gz DPZCKFRBMXVODO-HNNXBMFYSA-N 1 2 238.334 3.384 20 0 BGADLO Cc1ccc([C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000302122019 386905271 /nfs/dbraw/zinc/90/52/71/386905271.db2.gz DPZCKFRBMXVODO-OAHLLOKOSA-N 1 2 238.334 3.384 20 0 BGADLO Cc1cc(NCc2ccc(Cl)c(C)c2)nc[nH+]1 ZINC000302122514 178171619 /nfs/dbraw/zinc/17/16/19/178171619.db2.gz GWOFYBCZLILYND-UHFFFAOYSA-N 1 2 247.729 3.359 20 0 BGADLO CC(C)c1nc(N(C)C[C@@H]2CC=CCC2)cc[nH+]1 ZINC000302142925 386907044 /nfs/dbraw/zinc/90/70/44/386907044.db2.gz JUYSPVIWDAHTNX-CYBMUJFWSA-N 1 2 245.370 3.393 20 0 BGADLO CC(C)c1nc(N(C)C[C@H]2CC=CCC2)cc[nH+]1 ZINC000302142926 386905981 /nfs/dbraw/zinc/90/59/81/386905981.db2.gz JUYSPVIWDAHTNX-ZDUSSCGKSA-N 1 2 245.370 3.393 20 0 BGADLO Cc1cc(NCc2ccc(C(F)F)cc2)nc[nH+]1 ZINC000302155571 178171965 /nfs/dbraw/zinc/17/19/65/178171965.db2.gz DOUQJIDTIMJKLE-UHFFFAOYSA-N 1 2 249.264 3.335 20 0 BGADLO CCCN(c1nc(C)[nH+]c2c1CCCC2)C1CC1 ZINC000302173921 169183752 /nfs/dbraw/zinc/18/37/52/169183752.db2.gz BITWWXUXTBATRU-UHFFFAOYSA-N 1 2 245.370 3.043 20 0 BGADLO CN(C[C@@H]1CC=CCC1)c1[nH]c2ccccc2[nH+]1 ZINC000302182815 386911517 /nfs/dbraw/zinc/91/15/17/386911517.db2.gz SIUZLSSRLIKHKW-GFCCVEGCSA-N 1 2 241.338 3.355 20 0 BGADLO CN(C[C@H]1CC=CCC1)c1[nH]c2ccccc2[nH+]1 ZINC000302182816 386910788 /nfs/dbraw/zinc/91/07/88/386910788.db2.gz SIUZLSSRLIKHKW-LBPRGKRZSA-N 1 2 241.338 3.355 20 0 BGADLO CCCN(c1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC000302198336 169182642 /nfs/dbraw/zinc/18/26/42/169182642.db2.gz PXBISIGKTKDJAG-UHFFFAOYSA-N 1 2 233.359 3.287 20 0 BGADLO Cc1cc(NCCC2=CCCCCC2)nc[nH+]1 ZINC000302209734 178157826 /nfs/dbraw/zinc/15/78/26/178157826.db2.gz YKWLWUSQCGYOPC-UHFFFAOYSA-N 1 2 231.343 3.478 20 0 BGADLO C[C@@H](CCC1CC1)Nc1cc[nH+]c(C2CC2)n1 ZINC000302213399 386914646 /nfs/dbraw/zinc/91/46/46/386914646.db2.gz FOXBFUDRPQCTJE-JTQLQIEISA-N 1 2 231.343 3.345 20 0 BGADLO C[C@H](CCC1CC1)Nc1cc[nH+]c(C2CC2)n1 ZINC000302213402 386914506 /nfs/dbraw/zinc/91/45/06/386914506.db2.gz FOXBFUDRPQCTJE-SNVBAGLBSA-N 1 2 231.343 3.345 20 0 BGADLO CC[C@H]1Cc2ccccc2CN1c1cccc[nH+]1 ZINC000302222027 132261920 /nfs/dbraw/zinc/26/19/20/132261920.db2.gz SNPDFKBHNVVOLQ-HNNXBMFYSA-N 1 2 238.334 3.423 20 0 BGADLO CC[C@@H]1Cc2ccccc2CN1c1cccc[nH+]1 ZINC000302222028 132261767 /nfs/dbraw/zinc/26/17/67/132261767.db2.gz SNPDFKBHNVVOLQ-OAHLLOKOSA-N 1 2 238.334 3.423 20 0 BGADLO CCc1cc(NCc2c[nH+]cn2CC)ccc1C ZINC000302275429 385507334 /nfs/dbraw/zinc/50/73/34/385507334.db2.gz HWZBKWGXBIDTTL-UHFFFAOYSA-N 1 2 243.354 3.386 20 0 BGADLO Cc1cc(N2CCCC3(CC3)C2)nc(C(C)C)[nH+]1 ZINC000302280381 132262752 /nfs/dbraw/zinc/26/27/52/132262752.db2.gz UOWAIFUPKPPCNG-UHFFFAOYSA-N 1 2 245.370 3.289 20 0 BGADLO Cc1nc(N2CCCC[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000302332298 386921482 /nfs/dbraw/zinc/92/14/82/386921482.db2.gz ADVMVGBLXQVAAH-JTQLQIEISA-N 1 2 233.359 3.028 20 0 BGADLO Cc1nc(N2CCCC[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000302332310 386922304 /nfs/dbraw/zinc/92/23/04/386922304.db2.gz ADVMVGBLXQVAAH-SNVBAGLBSA-N 1 2 233.359 3.028 20 0 BGADLO CC(C)C1(C)CCN(c2cccc[nH+]2)CC1 ZINC000302345004 132262801 /nfs/dbraw/zinc/26/28/01/132262801.db2.gz ARKHZFJBIKEABB-UHFFFAOYSA-N 1 2 218.344 3.344 20 0 BGADLO COCCC1(CNc2cccc[nH+]2)CCCCC1 ZINC000302348913 174157463 /nfs/dbraw/zinc/15/74/63/174157463.db2.gz ASJAVKXRCNEENR-UHFFFAOYSA-N 1 2 248.370 3.481 20 0 BGADLO CCn1c[nH+]cc1CNc1cccc(C)c1Cl ZINC000302370852 350083638 /nfs/dbraw/zinc/08/36/38/350083638.db2.gz ZRQHKXXURORKPZ-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCC1(CC)CCN(c2cccc[nH+]2)CC1 ZINC000302388788 132263170 /nfs/dbraw/zinc/26/31/70/132263170.db2.gz FMVHLERCFKSICT-UHFFFAOYSA-N 1 2 218.344 3.488 20 0 BGADLO CC[C@H]1[C@H](C)CCN1c1cc[nH+]c(C(C)C)n1 ZINC000302390000 386922858 /nfs/dbraw/zinc/92/28/58/386922858.db2.gz JGKXRPZAUNURBT-NEPJUHHUSA-N 1 2 233.359 3.225 20 0 BGADLO CC[C@@H]1[C@@H](C)CCN1c1cc[nH+]c(C(C)C)n1 ZINC000302390003 171157539 /nfs/dbraw/zinc/15/75/39/171157539.db2.gz JGKXRPZAUNURBT-NWDGAFQWSA-N 1 2 233.359 3.225 20 0 BGADLO CC[C@H]1[C@@H](C)CCN1c1cc[nH+]c(C(C)C)n1 ZINC000302390005 386921601 /nfs/dbraw/zinc/92/16/01/386921601.db2.gz JGKXRPZAUNURBT-RYUDHWBXSA-N 1 2 233.359 3.225 20 0 BGADLO CC[C@@H]1[C@H](C)CCN1c1cc[nH+]c(C(C)C)n1 ZINC000302390008 171160804 /nfs/dbraw/zinc/16/08/04/171160804.db2.gz JGKXRPZAUNURBT-VXGBXAGGSA-N 1 2 233.359 3.225 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NCCC(C)(C)O ZINC000302393611 178298316 /nfs/dbraw/zinc/29/83/16/178298316.db2.gz FZABFVHTCJDYEI-UHFFFAOYSA-N 1 2 244.338 3.116 20 0 BGADLO COc1cccc2c(NCC3CC3)cc[nH+]c12 ZINC000302405500 175299695 /nfs/dbraw/zinc/29/96/95/175299695.db2.gz FXRMOPMIMWEASI-UHFFFAOYSA-N 1 2 228.295 3.065 20 0 BGADLO CCCCNc1cc[nH+]c2c(OC)cccc12 ZINC000302412112 386922501 /nfs/dbraw/zinc/92/25/01/386922501.db2.gz HAQVCLHMOHAQIY-UHFFFAOYSA-N 1 2 230.311 3.455 20 0 BGADLO Cc1ccc2c(c1)N(c1cc(C)[nH+]c(C)n1)CC2 ZINC000302433543 386923134 /nfs/dbraw/zinc/92/31/34/386923134.db2.gz LSUIHXCJXSPYAN-UHFFFAOYSA-N 1 2 239.322 3.096 20 0 BGADLO CCSc1cc(CNc2cccc[nH+]2)ccn1 ZINC000302447128 386921372 /nfs/dbraw/zinc/92/13/72/386921372.db2.gz RMHJEFOXWXTWJD-UHFFFAOYSA-N 1 2 245.351 3.201 20 0 BGADLO COc1cccc2c(N3CCCCC3)cc[nH+]c12 ZINC000302451200 132263721 /nfs/dbraw/zinc/26/37/21/132263721.db2.gz PJYRZCPVZYJLOA-UHFFFAOYSA-N 1 2 242.322 3.234 20 0 BGADLO Cc1cc(N2CCc3c2cccc3C)nc(C)[nH+]1 ZINC000302454554 178121559 /nfs/dbraw/zinc/12/15/59/178121559.db2.gz QAPQDWVQKMLAEE-UHFFFAOYSA-N 1 2 239.322 3.096 20 0 BGADLO COc1cccc2c(N(C)CC3CC3)cc[nH+]c12 ZINC000302456877 175300523 /nfs/dbraw/zinc/30/05/23/175300523.db2.gz QQRXFYAUGGFDJY-UHFFFAOYSA-N 1 2 242.322 3.090 20 0 BGADLO CC(C)c1nc(N2CCCC[C@@H](C)C2)cc[nH+]1 ZINC000302460397 386923054 /nfs/dbraw/zinc/92/30/54/386923054.db2.gz VDVZVHABWFJKNQ-GFCCVEGCSA-N 1 2 233.359 3.226 20 0 BGADLO CC(C)c1nc(N2CCCC[C@H](C)C2)cc[nH+]1 ZINC000302460398 187206698 /nfs/dbraw/zinc/20/66/98/187206698.db2.gz VDVZVHABWFJKNQ-LBPRGKRZSA-N 1 2 233.359 3.226 20 0 BGADLO CCC1(CC)CCN(c2cc(C)[nH+]cn2)CC1 ZINC000302463275 132263792 /nfs/dbraw/zinc/26/37/92/132263792.db2.gz PCZVBMYEUWMSGD-UHFFFAOYSA-N 1 2 233.359 3.192 20 0 BGADLO C[C@@H]1CCCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302463592 176064616 /nfs/dbraw/zinc/06/46/16/176064616.db2.gz VOFFCWDELFDFJL-LLVKDONJSA-N 1 2 229.327 3.189 20 0 BGADLO C[C@H]1CCCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000302463593 177072561 /nfs/dbraw/zinc/07/25/61/177072561.db2.gz VOFFCWDELFDFJL-NSHDSACASA-N 1 2 229.327 3.189 20 0 BGADLO Cc1cc(N2CCC(C)(C(C)C)CC2)nc[nH+]1 ZINC000302475511 132263808 /nfs/dbraw/zinc/26/38/08/132263808.db2.gz WQIPOZMJSXADNE-UHFFFAOYSA-N 1 2 233.359 3.048 20 0 BGADLO COc1cccc2c(NCC(C)C)cc[nH+]c12 ZINC000302477296 175300319 /nfs/dbraw/zinc/30/03/19/175300319.db2.gz VNZWQKRFAGEIHG-UHFFFAOYSA-N 1 2 230.311 3.311 20 0 BGADLO CCCN(C)c1cc[nH+]c2c(OC)cccc12 ZINC000302481403 169088594 /nfs/dbraw/zinc/08/85/94/169088594.db2.gz WMNBALNIWUPCLW-UHFFFAOYSA-N 1 2 230.311 3.090 20 0 BGADLO COc1cccc2c(NCCSC)cc[nH+]c12 ZINC000302486759 175299992 /nfs/dbraw/zinc/29/99/92/175299992.db2.gz XVIRMSMNLJPQPQ-UHFFFAOYSA-N 1 2 248.351 3.018 20 0 BGADLO Cc1cc(Nc2ccc(F)c(C)c2)nc(C)[nH+]1 ZINC000302497363 178191623 /nfs/dbraw/zinc/19/16/23/178191623.db2.gz BTZRMQZDANKVKW-UHFFFAOYSA-N 1 2 231.274 3.285 20 0 BGADLO c1ccc(N2Cc3ccccc3C3(CC3)C2)[nH+]c1 ZINC000302502222 132264074 /nfs/dbraw/zinc/26/40/74/132264074.db2.gz VOQWKKLXOXWOGM-UHFFFAOYSA-N 1 2 236.318 3.133 20 0 BGADLO CC(C)C(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000302515615 386924334 /nfs/dbraw/zinc/92/43/34/386924334.db2.gz VHXFTYAIKBDWMG-UHFFFAOYSA-N 1 2 233.359 3.448 20 0 BGADLO Cc1cc(N[C@@H]2CCCO[C@H]2CC(C)C)cc[nH+]1 ZINC000302516253 178181649 /nfs/dbraw/zinc/18/16/49/178181649.db2.gz XXXUNGSLYZZXNX-CABCVRRESA-N 1 2 248.370 3.396 20 0 BGADLO Cc1cc(N[C@@H]2CCCO[C@@H]2CC(C)C)cc[nH+]1 ZINC000302516255 178181620 /nfs/dbraw/zinc/18/16/20/178181620.db2.gz XXXUNGSLYZZXNX-HUUCEWRRSA-N 1 2 248.370 3.396 20 0 BGADLO Cc1cc(C)c2c(c1)CN(c1cccc[nH+]1)CC2 ZINC000302522135 132264305 /nfs/dbraw/zinc/26/43/05/132264305.db2.gz ZBTAXRXBISAWQA-UHFFFAOYSA-N 1 2 238.334 3.261 20 0 BGADLO FCCCCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000302527911 387284147 /nfs/dbraw/zinc/28/41/47/387284147.db2.gz QLMCXTJRQZAFAL-UHFFFAOYSA-N 1 2 242.244 3.454 20 0 BGADLO COc1cccc2c(NC3CC=CC3)cc[nH+]c12 ZINC000302537880 175300443 /nfs/dbraw/zinc/30/04/43/175300443.db2.gz MYFINKNACCSCPN-UHFFFAOYSA-N 1 2 240.306 3.374 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000302550218 592549435 /nfs/dbraw/zinc/54/94/35/592549435.db2.gz JWDOPSXYEMDLDH-FRRDWIJNSA-N 1 2 248.370 3.150 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000302550222 592549417 /nfs/dbraw/zinc/54/94/17/592549417.db2.gz JWDOPSXYEMDLDH-JHJVBQTASA-N 1 2 248.370 3.150 20 0 BGADLO CC[C@@H]1CC[C@H](C)N(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000302550228 592549601 /nfs/dbraw/zinc/54/96/01/592549601.db2.gz JWDOPSXYEMDLDH-RWMBFGLXSA-N 1 2 248.370 3.150 20 0 BGADLO CC[C@@H]1CC[C@H](C)N(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000302550245 592549471 /nfs/dbraw/zinc/54/94/71/592549471.db2.gz JWDOPSXYEMDLDH-YNEHKIRRSA-N 1 2 248.370 3.150 20 0 BGADLO C[C@@H]1CC[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000302552577 176214436 /nfs/dbraw/zinc/21/44/36/176214436.db2.gz QWFFYXFEYVEJHM-GHMZBOCLSA-N 1 2 233.359 3.375 20 0 BGADLO C[C@@H]1CC[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000302552579 176234793 /nfs/dbraw/zinc/23/47/93/176234793.db2.gz QWFFYXFEYVEJHM-MNOVXSKESA-N 1 2 233.359 3.375 20 0 BGADLO C[C@H]1CC[C@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000302552580 177205612 /nfs/dbraw/zinc/20/56/12/177205612.db2.gz QWFFYXFEYVEJHM-QWRGUYRKSA-N 1 2 233.359 3.375 20 0 BGADLO C[C@H]1CC[C@@H](Nc2cc[nH+]c(C(C)(C)C)n2)C1 ZINC000302552581 177194527 /nfs/dbraw/zinc/19/45/27/177194527.db2.gz QWFFYXFEYVEJHM-WDEREUQCSA-N 1 2 233.359 3.375 20 0 BGADLO CN(CC1(c2ccccc2)CC1)c1cccc[nH+]1 ZINC000302557633 386927703 /nfs/dbraw/zinc/92/77/03/386927703.db2.gz SHHOWFXHJDLBKX-UHFFFAOYSA-N 1 2 238.334 3.250 20 0 BGADLO COc1cccc2c(NCCC3CC3)cc[nH+]c12 ZINC000302558407 175299818 /nfs/dbraw/zinc/29/98/18/175299818.db2.gz SPJLSRABWSRXHW-UHFFFAOYSA-N 1 2 242.322 3.455 20 0 BGADLO COc1cccc2c(N3CCC[C@H]3C)cc[nH+]c12 ZINC000302566559 175300035 /nfs/dbraw/zinc/30/00/35/175300035.db2.gz WRIQWSLCAHQLHP-LLVKDONJSA-N 1 2 242.322 3.232 20 0 BGADLO COc1cccc2c(N3CCC[C@@H]3C)cc[nH+]c12 ZINC000302566561 175300456 /nfs/dbraw/zinc/30/04/56/175300456.db2.gz WRIQWSLCAHQLHP-NSHDSACASA-N 1 2 242.322 3.232 20 0 BGADLO CC(C)c1nc(N[C@@H]2CC[C@@H](C)C2)cc[nH+]1 ZINC000302567764 384998235 /nfs/dbraw/zinc/99/82/35/384998235.db2.gz XMRIIZLHSQWBGY-GHMZBOCLSA-N 1 2 219.332 3.201 20 0 BGADLO CC(C)c1nc(N[C@H]2CC[C@@H](C)C2)cc[nH+]1 ZINC000302567765 385000104 /nfs/dbraw/zinc/00/01/04/385000104.db2.gz XMRIIZLHSQWBGY-MNOVXSKESA-N 1 2 219.332 3.201 20 0 BGADLO CC(C)c1nc(N[C@H]2CC[C@H](C)C2)cc[nH+]1 ZINC000302567766 384999752 /nfs/dbraw/zinc/99/97/52/384999752.db2.gz XMRIIZLHSQWBGY-QWRGUYRKSA-N 1 2 219.332 3.201 20 0 BGADLO CC(C)c1nc(N[C@@H]2CC[C@H](C)C2)cc[nH+]1 ZINC000302567767 384998451 /nfs/dbraw/zinc/99/84/51/384998451.db2.gz XMRIIZLHSQWBGY-WDEREUQCSA-N 1 2 219.332 3.201 20 0 BGADLO CO[C@@H](C)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000302656578 386929601 /nfs/dbraw/zinc/92/96/01/386929601.db2.gz KYQHEIRGSJURSV-JTQLQIEISA-N 1 2 248.301 3.129 20 0 BGADLO CO[C@H](C)CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000302656579 386929073 /nfs/dbraw/zinc/92/90/73/386929073.db2.gz KYQHEIRGSJURSV-SNVBAGLBSA-N 1 2 248.301 3.129 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)C[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000302667935 534912197 /nfs/dbraw/zinc/91/21/97/534912197.db2.gz JTSQAJYVZTUZAT-AGIUHOORSA-N 1 2 247.386 3.471 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)C[C@H](C)[C@H]2C)cc[nH+]1 ZINC000302667938 534911963 /nfs/dbraw/zinc/91/19/63/534911963.db2.gz JTSQAJYVZTUZAT-FRRDWIJNSA-N 1 2 247.386 3.471 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)C[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000302667940 534910996 /nfs/dbraw/zinc/91/09/96/534910996.db2.gz JTSQAJYVZTUZAT-JHJVBQTASA-N 1 2 247.386 3.471 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)C[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000302667943 534911190 /nfs/dbraw/zinc/91/11/90/534911190.db2.gz JTSQAJYVZTUZAT-UPJWGTAASA-N 1 2 247.386 3.471 20 0 BGADLO C[C@@H]1C[C@H](C)[C@@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000302679945 132265474 /nfs/dbraw/zinc/26/54/74/132265474.db2.gz OMPUNEFXPBFAIR-GRYCIOLGSA-N 1 2 245.370 3.225 20 0 BGADLO C[C@@H]1C[C@@H](C)[C@@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000302679946 132265354 /nfs/dbraw/zinc/26/53/54/132265354.db2.gz OMPUNEFXPBFAIR-IJLUTSLNSA-N 1 2 245.370 3.225 20 0 BGADLO C[C@@H]1C[C@@H](C)[C@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000302679947 132265492 /nfs/dbraw/zinc/26/54/92/132265492.db2.gz OMPUNEFXPBFAIR-UTUOFQBUSA-N 1 2 245.370 3.225 20 0 BGADLO C[C@@H]1C[C@H](C)[C@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000302679948 132265567 /nfs/dbraw/zinc/26/55/67/132265567.db2.gz OMPUNEFXPBFAIR-WOPDTQHZSA-N 1 2 245.370 3.225 20 0 BGADLO Fc1cccc2c1OCC[C@@H]2Nc1cccc[nH+]1 ZINC000302686532 181006968 /nfs/dbraw/zinc/00/69/68/181006968.db2.gz UDYIXXBFJMECMC-LBPRGKRZSA-N 1 2 244.269 3.156 20 0 BGADLO Cc1cccc2c1OCC[C@H]2Nc1cccc[nH+]1 ZINC000302694197 179221140 /nfs/dbraw/zinc/22/11/40/179221140.db2.gz SKRGYSVIQJNSGB-CYBMUJFWSA-N 1 2 240.306 3.326 20 0 BGADLO CC1(C)CN(c2cccc[nH+]2)CC2(CCCC2)O1 ZINC000302694640 132265893 /nfs/dbraw/zinc/26/58/93/132265893.db2.gz VZHIJSQYYADSNI-UHFFFAOYSA-N 1 2 246.354 3.010 20 0 BGADLO Clc1ccc2c(c1)CCN(c1cccc[nH+]1)C2 ZINC000302709153 132265724 /nfs/dbraw/zinc/26/57/24/132265724.db2.gz KBWQFIUULNSJDB-UHFFFAOYSA-N 1 2 244.725 3.298 20 0 BGADLO CC(C)=CCNc1nc(C)[nH+]c2c1CCCC2 ZINC000302722305 187545694 /nfs/dbraw/zinc/54/56/94/187545694.db2.gz MUCICBNGPAIBIC-UHFFFAOYSA-N 1 2 231.343 3.042 20 0 BGADLO CC(C)=CCCNc1cc[nH+]c(C(C)C)n1 ZINC000302723780 385017150 /nfs/dbraw/zinc/01/71/50/385017150.db2.gz NOCWDGHKWOQWRT-UHFFFAOYSA-N 1 2 219.332 3.368 20 0 BGADLO Cc1cc(NCc2ccc(C3CC3)cc2)nc[nH+]1 ZINC000302725954 178171605 /nfs/dbraw/zinc/17/16/05/178171605.db2.gz OZAWDEMUCPYVKQ-UHFFFAOYSA-N 1 2 239.322 3.275 20 0 BGADLO COc1cccc2c1[nH+]cc(C)c2N1CCCC1 ZINC000302726596 175299951 /nfs/dbraw/zinc/29/99/51/175299951.db2.gz SHNMCNTZCBHJKN-UHFFFAOYSA-N 1 2 242.322 3.152 20 0 BGADLO CC(C)=CCCNc1cc(NCC2CC2)nc[nH+]1 ZINC000302729808 386933592 /nfs/dbraw/zinc/93/35/92/386933592.db2.gz RIIWBUHIAPIJQD-UHFFFAOYSA-N 1 2 246.358 3.067 20 0 BGADLO CC(C)=CCCNc1cc(NCC2CC2)[nH+]cn1 ZINC000302729808 386933587 /nfs/dbraw/zinc/93/35/87/386933587.db2.gz RIIWBUHIAPIJQD-UHFFFAOYSA-N 1 2 246.358 3.067 20 0 BGADLO Oc1cccc2c1CCC[C@H]2Nc1cccc[nH+]1 ZINC000302733741 183295797 /nfs/dbraw/zinc/29/57/97/183295797.db2.gz VLLHEIMXBGANJL-CYBMUJFWSA-N 1 2 240.306 3.277 20 0 BGADLO Oc1cccc2c1CCC[C@@H]2Nc1cccc[nH+]1 ZINC000302733742 183294820 /nfs/dbraw/zinc/29/48/20/183294820.db2.gz VLLHEIMXBGANJL-ZDUSSCGKSA-N 1 2 240.306 3.277 20 0 BGADLO C[N@@H+](Cc1ccco1)Cc1nc2ccccc2o1 ZINC000302734866 398001193 /nfs/dbraw/zinc/00/11/93/398001193.db2.gz CEQYEELFERPOKW-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO C[N@H+](Cc1ccco1)Cc1nc2ccccc2o1 ZINC000302734866 398001190 /nfs/dbraw/zinc/00/11/90/398001190.db2.gz CEQYEELFERPOKW-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000302757168 177037638 /nfs/dbraw/zinc/03/76/38/177037638.db2.gz MNKTZZKQAIKITE-GFCCVEGCSA-N 1 2 249.354 3.021 20 0 BGADLO C[C@H](c1ccccc1)[N@H+](C)CC(=O)OC(C)(C)C ZINC000302757168 177037636 /nfs/dbraw/zinc/03/76/36/177037636.db2.gz MNKTZZKQAIKITE-GFCCVEGCSA-N 1 2 249.354 3.021 20 0 BGADLO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)OC(C)(C)C ZINC000302757169 176019813 /nfs/dbraw/zinc/01/98/13/176019813.db2.gz MNKTZZKQAIKITE-LBPRGKRZSA-N 1 2 249.354 3.021 20 0 BGADLO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)OC(C)(C)C ZINC000302757169 176019811 /nfs/dbraw/zinc/01/98/11/176019811.db2.gz MNKTZZKQAIKITE-LBPRGKRZSA-N 1 2 249.354 3.021 20 0 BGADLO CCC(C)(C)CNc1cc[nH+]c(C(C)C)n1 ZINC000302767726 168282145 /nfs/dbraw/zinc/28/21/45/168282145.db2.gz AYAZZNITTXIJJV-UHFFFAOYSA-N 1 2 221.348 3.448 20 0 BGADLO CC(C)c1nc(N(C)C2CC2)cc(C(C)(C)C)[nH+]1 ZINC000302770558 386935704 /nfs/dbraw/zinc/93/57/04/386935704.db2.gz BWHFACYCJQZLMN-UHFFFAOYSA-N 1 2 247.386 3.496 20 0 BGADLO CC(C)c1nc(-n2cc[nH+]c2)cc(C(C)(C)C)n1 ZINC000302773592 386937346 /nfs/dbraw/zinc/93/73/46/386937346.db2.gz DGPCNVWKCPSDPV-UHFFFAOYSA-N 1 2 244.342 3.083 20 0 BGADLO Fc1ccc(CCNc2cccc[nH+]2)cc1F ZINC000302781828 386935966 /nfs/dbraw/zinc/93/59/66/386935966.db2.gz SBSXBHFFIQCVDN-UHFFFAOYSA-N 1 2 234.249 3.014 20 0 BGADLO Cc1cccc2c1OCC[C@@H]2Nc1cccc[nH+]1 ZINC000302782274 179221251 /nfs/dbraw/zinc/22/12/51/179221251.db2.gz SKRGYSVIQJNSGB-ZDUSSCGKSA-N 1 2 240.306 3.326 20 0 BGADLO CCC(C)(C)CNc1cc[nH+]c(C2CC2)n1 ZINC000302785607 168282110 /nfs/dbraw/zinc/28/21/10/168282110.db2.gz MUEYRVXYVHQXHK-UHFFFAOYSA-N 1 2 219.332 3.202 20 0 BGADLO CC(C)c1nc(N2CCCC2)cc(C(C)(C)C)[nH+]1 ZINC000302791138 386936408 /nfs/dbraw/zinc/93/64/08/386936408.db2.gz YRCQOJYYEFPAKQ-UHFFFAOYSA-N 1 2 247.386 3.498 20 0 BGADLO CC(C)c1nc(N2CCC2)cc(C(C)(C)C)[nH+]1 ZINC000302793363 386936111 /nfs/dbraw/zinc/93/61/11/386936111.db2.gz NCSKGTGFQYLOLC-UHFFFAOYSA-N 1 2 233.359 3.108 20 0 BGADLO CCCCCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302794178 386728914 /nfs/dbraw/zinc/72/89/14/386728914.db2.gz NQSZQTZTTDOFLE-UHFFFAOYSA-N 1 2 248.374 3.069 20 0 BGADLO CCCCCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302794178 386728905 /nfs/dbraw/zinc/72/89/05/386728905.db2.gz NQSZQTZTTDOFLE-UHFFFAOYSA-N 1 2 248.374 3.069 20 0 BGADLO CC(C)c1nc(NC2CC2)cc(C(C)(C)C)[nH+]1 ZINC000302802269 386939792 /nfs/dbraw/zinc/93/97/92/386939792.db2.gz USNACJMZMGWPSY-UHFFFAOYSA-N 1 2 233.359 3.472 20 0 BGADLO CCC(C)(C)CNc1nc(N)c2ccccc2[nH+]1 ZINC000302804968 168281573 /nfs/dbraw/zinc/28/15/73/168281573.db2.gz WHSXTOYTXVPLHQ-UHFFFAOYSA-N 1 2 244.342 3.060 20 0 BGADLO CCCN(c1cc(C(F)(F)F)cc[nH+]1)C1CC1 ZINC000302827948 169182521 /nfs/dbraw/zinc/18/25/21/169182521.db2.gz NYEYKGVIFPVTKL-UHFFFAOYSA-N 1 2 244.260 3.479 20 0 BGADLO Fc1ccc([C@@H]2C[C@H]2Nc2cccc[nH+]2)cc1 ZINC000302861796 386941257 /nfs/dbraw/zinc/94/12/57/386941257.db2.gz QLHYKLQSHBSEEB-QWHCGFSZSA-N 1 2 228.270 3.189 20 0 BGADLO Cc1cc(N(C)[C@@H]2CC2(C)C)nc(C(C)C)[nH+]1 ZINC000302865075 178101017 /nfs/dbraw/zinc/10/10/17/178101017.db2.gz UCMDCBUYGQMQAV-LLVKDONJSA-N 1 2 233.359 3.143 20 0 BGADLO Cc1cc(N(C)[C@H]2CC2(C)C)nc(C(C)C)[nH+]1 ZINC000302865076 178100019 /nfs/dbraw/zinc/10/00/19/178100019.db2.gz UCMDCBUYGQMQAV-NSHDSACASA-N 1 2 233.359 3.143 20 0 BGADLO CCC[C@@H](CC)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302883512 169380045 /nfs/dbraw/zinc/38/00/45/169380045.db2.gz JMOXOMMETZQANU-GFCCVEGCSA-N 1 2 248.374 3.067 20 0 BGADLO CCC[C@@H](CC)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302883512 169380044 /nfs/dbraw/zinc/38/00/44/169380044.db2.gz JMOXOMMETZQANU-GFCCVEGCSA-N 1 2 248.374 3.067 20 0 BGADLO CCC[C@H](CC)Nc1cc(N2CCCC2)[nH+]cn1 ZINC000302883513 386944015 /nfs/dbraw/zinc/94/40/15/386944015.db2.gz JMOXOMMETZQANU-LBPRGKRZSA-N 1 2 248.374 3.067 20 0 BGADLO CCC[C@H](CC)Nc1cc(N2CCCC2)nc[nH+]1 ZINC000302883513 386944012 /nfs/dbraw/zinc/94/40/12/386944012.db2.gz JMOXOMMETZQANU-LBPRGKRZSA-N 1 2 248.374 3.067 20 0 BGADLO CC[N@@H+](CCCOC)c1cc(C)cc(C)c1 ZINC000302980643 387303200 /nfs/dbraw/zinc/30/32/00/387303200.db2.gz PUSMLYHHZPBBPA-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO CC[N@H+](CCCOC)c1cc(C)cc(C)c1 ZINC000302980643 387303195 /nfs/dbraw/zinc/30/31/95/387303195.db2.gz PUSMLYHHZPBBPA-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO CC(C)C[N@H+](Cc1ccccc1)CC(F)F ZINC000303607526 357137752 /nfs/dbraw/zinc/13/77/52/357137752.db2.gz QTNABXKIJNPQAV-UHFFFAOYSA-N 1 2 227.298 3.410 20 0 BGADLO CC(C)C[N@@H+](Cc1ccccc1)CC(F)F ZINC000303607526 357137749 /nfs/dbraw/zinc/13/77/49/357137749.db2.gz QTNABXKIJNPQAV-UHFFFAOYSA-N 1 2 227.298 3.410 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)c1cccs1 ZINC000304398020 387473861 /nfs/dbraw/zinc/47/38/61/387473861.db2.gz AZNNWXQBGMKNPZ-UHFFFAOYSA-N 1 2 232.308 3.012 20 0 BGADLO CCc1ccc(NCc2c[nH+]cn2CC)cc1C ZINC000306060977 135368143 /nfs/dbraw/zinc/36/81/43/135368143.db2.gz WYXCDNIVMRHCAG-UHFFFAOYSA-N 1 2 243.354 3.386 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCCC23CCOCC3)c1 ZINC000306070225 387674214 /nfs/dbraw/zinc/67/42/14/387674214.db2.gz ZWZKTOVIIHVWQA-AWEZNQCLSA-N 1 2 246.354 3.151 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCCC23CCOCC3)c1 ZINC000306070226 387675094 /nfs/dbraw/zinc/67/50/94/387675094.db2.gz ZWZKTOVIIHVWQA-CQSZACIVSA-N 1 2 246.354 3.151 20 0 BGADLO C[NH+](C)c1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000306119304 642721983 /nfs/dbraw/zinc/72/19/83/642721983.db2.gz YQSRMKWGVOWDTA-BYCMXARLSA-N 1 2 230.355 3.353 20 0 BGADLO CN(C)c1ccc([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000306119304 642721976 /nfs/dbraw/zinc/72/19/76/642721976.db2.gz YQSRMKWGVOWDTA-BYCMXARLSA-N 1 2 230.355 3.353 20 0 BGADLO C[NH+](C)c1ccc(N[C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000306119305 642722710 /nfs/dbraw/zinc/72/27/10/642722710.db2.gz YQSRMKWGVOWDTA-GLQYFDAESA-N 1 2 230.355 3.353 20 0 BGADLO CN(C)c1ccc([NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000306119305 642722705 /nfs/dbraw/zinc/72/27/05/642722705.db2.gz YQSRMKWGVOWDTA-GLQYFDAESA-N 1 2 230.355 3.353 20 0 BGADLO C[NH+](C)c1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000306119307 642721358 /nfs/dbraw/zinc/72/13/58/642721358.db2.gz YQSRMKWGVOWDTA-NILFDRSVSA-N 1 2 230.355 3.353 20 0 BGADLO CN(C)c1ccc([NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000306119307 642721354 /nfs/dbraw/zinc/72/13/54/642721354.db2.gz YQSRMKWGVOWDTA-NILFDRSVSA-N 1 2 230.355 3.353 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(Br)o1 ZINC000306151963 323172520 /nfs/dbraw/zinc/17/25/20/323172520.db2.gz IAVISMQQSFUROD-HTQZYQBOSA-N 1 2 244.132 3.025 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(Br)o1 ZINC000306151965 323172429 /nfs/dbraw/zinc/17/24/29/323172429.db2.gz IAVISMQQSFUROD-OCAPTIKFSA-N 1 2 244.132 3.025 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(Br)o1 ZINC000306151965 323172428 /nfs/dbraw/zinc/17/24/28/323172428.db2.gz IAVISMQQSFUROD-OCAPTIKFSA-N 1 2 244.132 3.025 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(Br)o1 ZINC000306151967 323172560 /nfs/dbraw/zinc/17/25/60/323172560.db2.gz IAVISMQQSFUROD-YUMQZZPRSA-N 1 2 244.132 3.025 20 0 BGADLO Clc1nc(C[NH+]2CCCCCC2)cs1 ZINC000306174544 711773167 /nfs/dbraw/zinc/77/31/67/711773167.db2.gz KGSZKQLGYYQLMB-UHFFFAOYSA-N 1 2 230.764 3.173 20 0 BGADLO CC[C@@H]1C[N@@H+](C/C(Cl)=C/Cl)CCS1 ZINC000306239715 635960051 /nfs/dbraw/zinc/96/00/51/635960051.db2.gz JVHFSYJBRKUALV-BZJXQOFCSA-N 1 2 240.199 3.133 20 0 BGADLO CC[C@@H]1C[N@H+](C/C(Cl)=C/Cl)CCS1 ZINC000306239715 635960046 /nfs/dbraw/zinc/96/00/46/635960046.db2.gz JVHFSYJBRKUALV-BZJXQOFCSA-N 1 2 240.199 3.133 20 0 BGADLO CC[C@H]1C[N@@H+](C/C(Cl)=C/Cl)CCS1 ZINC000306239716 635960588 /nfs/dbraw/zinc/96/05/88/635960588.db2.gz JVHFSYJBRKUALV-RDOCRHDPSA-N 1 2 240.199 3.133 20 0 BGADLO CC[C@H]1C[N@H+](C/C(Cl)=C/Cl)CCS1 ZINC000306239716 635960586 /nfs/dbraw/zinc/96/05/86/635960586.db2.gz JVHFSYJBRKUALV-RDOCRHDPSA-N 1 2 240.199 3.133 20 0 BGADLO Cc1sccc1CNc1cccc[nH+]1 ZINC000306244578 387681162 /nfs/dbraw/zinc/68/11/62/387681162.db2.gz VAVUUJBYEBFOTI-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2csc(Cl)n2)C1 ZINC000306252882 359461281 /nfs/dbraw/zinc/46/12/81/359461281.db2.gz MPKARLHMXOKDRU-HTQZYQBOSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1C[C@@H](C)[N@H+](Cc2csc(Cl)n2)C1 ZINC000306252882 359461278 /nfs/dbraw/zinc/46/12/78/359461278.db2.gz MPKARLHMXOKDRU-HTQZYQBOSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1csc(Cl)n1 ZINC000306252883 359461244 /nfs/dbraw/zinc/46/12/44/359461244.db2.gz MPKARLHMXOKDRU-JGVFFNPUSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1C[C@H](C)C[N@H+]1Cc1csc(Cl)n1 ZINC000306252883 359461240 /nfs/dbraw/zinc/46/12/40/359461240.db2.gz MPKARLHMXOKDRU-JGVFFNPUSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+](Cc2csc(Cl)n2)C1 ZINC000306252884 359461490 /nfs/dbraw/zinc/46/14/90/359461490.db2.gz MPKARLHMXOKDRU-SFYZADRCSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+](Cc2csc(Cl)n2)C1 ZINC000306252884 359461484 /nfs/dbraw/zinc/46/14/84/359461484.db2.gz MPKARLHMXOKDRU-SFYZADRCSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@H]1C[C@H](C)[N@@H+](Cc2csc(Cl)n2)C1 ZINC000306252885 359461514 /nfs/dbraw/zinc/46/15/14/359461514.db2.gz MPKARLHMXOKDRU-YUMQZZPRSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@H]1C[C@H](C)[N@H+](Cc2csc(Cl)n2)C1 ZINC000306252885 359461511 /nfs/dbraw/zinc/46/15/11/359461511.db2.gz MPKARLHMXOKDRU-YUMQZZPRSA-N 1 2 230.764 3.027 20 0 BGADLO CC(C)=CCNc1[nH+]ccc(C)c1Cl ZINC000306253164 527446974 /nfs/dbraw/zinc/44/69/74/527446974.db2.gz VMUXNNGZECONLH-UHFFFAOYSA-N 1 2 210.708 3.422 20 0 BGADLO c1csc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000306280644 135369954 /nfs/dbraw/zinc/36/99/54/135369954.db2.gz UFNJUQQRSVYQNF-ADEWGFFLSA-N 1 2 207.342 3.026 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1occc1Br ZINC000306294593 642734698 /nfs/dbraw/zinc/73/46/98/642734698.db2.gz WAYHGRXLHCVUJS-HTQZYQBOSA-N 1 2 244.132 3.025 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1occc1Br ZINC000306294599 642734792 /nfs/dbraw/zinc/73/47/92/642734792.db2.gz WAYHGRXLHCVUJS-OCAPTIKFSA-N 1 2 244.132 3.025 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1occc1Br ZINC000306294599 642734784 /nfs/dbraw/zinc/73/47/84/642734784.db2.gz WAYHGRXLHCVUJS-OCAPTIKFSA-N 1 2 244.132 3.025 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1occc1Br ZINC000306294603 642734849 /nfs/dbraw/zinc/73/48/49/642734849.db2.gz WAYHGRXLHCVUJS-YUMQZZPRSA-N 1 2 244.132 3.025 20 0 BGADLO C[C@H]([NH2+]C1CCC(C)CC1)C(F)(F)F ZINC000306304014 168164936 /nfs/dbraw/zinc/16/49/36/168164936.db2.gz HPIRFVPCVHOALQ-MGURRDGZSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@@H]([NH2+]C1CCC(C)CC1)C(F)(F)F ZINC000306304015 168165882 /nfs/dbraw/zinc/16/58/82/168165882.db2.gz HPIRFVPCVHOALQ-QJAFJHJLSA-N 1 2 209.255 3.106 20 0 BGADLO Cc1cc[nH+]c(NCC2(C)CC2)c1Cl ZINC000306308546 384870697 /nfs/dbraw/zinc/87/06/97/384870697.db2.gz KRBCQHCGHWXDMU-UHFFFAOYSA-N 1 2 210.708 3.255 20 0 BGADLO Cc1cc[nH+]c(NC[C@@H]2C[C@H]2C)c1Cl ZINC000306322747 384882429 /nfs/dbraw/zinc/88/24/29/384882429.db2.gz UPUTZHRIKHGRJX-BDAKNGLRSA-N 1 2 210.708 3.111 20 0 BGADLO Cc1cc[nH+]c(NC[C@H]2C[C@@H]2C)c1Cl ZINC000306322748 384882231 /nfs/dbraw/zinc/88/22/31/384882231.db2.gz UPUTZHRIKHGRJX-DTWKUNHWSA-N 1 2 210.708 3.111 20 0 BGADLO Cc1cc[nH+]c(NC[C@@H]2C[C@@H]2C)c1Cl ZINC000306322749 384881774 /nfs/dbraw/zinc/88/17/74/384881774.db2.gz UPUTZHRIKHGRJX-IUCAKERBSA-N 1 2 210.708 3.111 20 0 BGADLO Cc1cc[nH+]c(NC[C@H]2C[C@H]2C)c1Cl ZINC000306322750 384881789 /nfs/dbraw/zinc/88/17/89/384881789.db2.gz UPUTZHRIKHGRJX-RKDXNWHRSA-N 1 2 210.708 3.111 20 0 BGADLO Clc1cccc(Cl)c1C[NH+]1CCC1 ZINC000306328229 359611349 /nfs/dbraw/zinc/61/13/49/359611349.db2.gz YIOJFBUQLIVDNX-UHFFFAOYSA-N 1 2 216.111 3.199 20 0 BGADLO CC1(C)CC[N@H+]1Cc1occc1Br ZINC000306332168 643316428 /nfs/dbraw/zinc/31/64/28/643316428.db2.gz CPIOOQAHDCVRIO-UHFFFAOYSA-N 1 2 244.132 3.026 20 0 BGADLO CC1(C)CC[N@@H+]1Cc1occc1Br ZINC000306332168 643316423 /nfs/dbraw/zinc/31/64/23/643316423.db2.gz CPIOOQAHDCVRIO-UHFFFAOYSA-N 1 2 244.132 3.026 20 0 BGADLO Clc1scc(CNc2c[nH]c[nH+]2)c1Cl ZINC000306340356 490634628 /nfs/dbraw/zinc/63/46/28/490634628.db2.gz WNAHPGXGAOIHRX-UHFFFAOYSA-N 1 2 248.138 3.390 20 0 BGADLO CC1(C)CC[N@H+]1Cc1ccc(Br)o1 ZINC000306360546 383936316 /nfs/dbraw/zinc/93/63/16/383936316.db2.gz MVPLFBJUTHXRLQ-UHFFFAOYSA-N 1 2 244.132 3.026 20 0 BGADLO CC1(C)CC[N@@H+]1Cc1ccc(Br)o1 ZINC000306360546 383936310 /nfs/dbraw/zinc/93/63/10/383936310.db2.gz MVPLFBJUTHXRLQ-UHFFFAOYSA-N 1 2 244.132 3.026 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CC[C@H]2C)c1Cl ZINC000306398986 384920643 /nfs/dbraw/zinc/92/06/43/384920643.db2.gz KNYFMYPTNAHLEN-APPZFPTMSA-N 1 2 210.708 3.254 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CC[C@@H]2C)c1Cl ZINC000306398988 384920814 /nfs/dbraw/zinc/92/08/14/384920814.db2.gz KNYFMYPTNAHLEN-CBAPKCEASA-N 1 2 210.708 3.254 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CC[C@@H]2C)c1Cl ZINC000306398990 384921274 /nfs/dbraw/zinc/92/12/74/384921274.db2.gz KNYFMYPTNAHLEN-IONNQARKSA-N 1 2 210.708 3.254 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CC[C@H]2C)c1Cl ZINC000306398992 384920624 /nfs/dbraw/zinc/92/06/24/384920624.db2.gz KNYFMYPTNAHLEN-VXNVDRBHSA-N 1 2 210.708 3.254 20 0 BGADLO Cc1cc[nH+]c(NCC[C@@H](C)F)c1Cl ZINC000306449633 384961092 /nfs/dbraw/zinc/96/10/92/384961092.db2.gz AYIXGRMZTIHMGB-MRVPVSSYSA-N 1 2 216.687 3.203 20 0 BGADLO Cc1cc[nH+]c(NCC[C@H](C)F)c1Cl ZINC000306449634 384959151 /nfs/dbraw/zinc/95/91/51/384959151.db2.gz AYIXGRMZTIHMGB-QMMMGPOBSA-N 1 2 216.687 3.203 20 0 BGADLO Cc1cc[nH+]c(NCC2CCC2)c1Cl ZINC000306462981 384972672 /nfs/dbraw/zinc/97/26/72/384972672.db2.gz HAAIWJISKNMEIM-UHFFFAOYSA-N 1 2 210.708 3.255 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CC2(C)C)c1Cl ZINC000306463974 387198938 /nfs/dbraw/zinc/19/89/38/387198938.db2.gz AEKBLMMOVMTNKL-MRVPVSSYSA-N 1 2 210.708 3.254 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CC2(C)C)c1Cl ZINC000306463975 384983842 /nfs/dbraw/zinc/98/38/42/384983842.db2.gz AEKBLMMOVMTNKL-QMMMGPOBSA-N 1 2 210.708 3.254 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(F)(F)F ZINC000306467623 384986942 /nfs/dbraw/zinc/98/69/42/384986942.db2.gz MNXYICLDWLMMBW-HTQZYQBOSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(F)(F)F ZINC000306467624 384986823 /nfs/dbraw/zinc/98/68/23/384986823.db2.gz MNXYICLDWLMMBW-JGVFFNPUSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(F)(F)F ZINC000306467625 387202269 /nfs/dbraw/zinc/20/22/69/387202269.db2.gz MNXYICLDWLMMBW-SFYZADRCSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(F)(F)F ZINC000306467627 384987207 /nfs/dbraw/zinc/98/72/07/384987207.db2.gz MNXYICLDWLMMBW-YUMQZZPRSA-N 1 2 209.255 3.106 20 0 BGADLO Cc1cc[nH+]c(NC2CCCC2)c1Cl ZINC000306483142 188331454 /nfs/dbraw/zinc/33/14/54/188331454.db2.gz GNVLXCYDFSXOAU-UHFFFAOYSA-N 1 2 210.708 3.398 20 0 BGADLO CC[C@@H]1CCC[N@H+]1Cc1csc(Cl)n1 ZINC000306490601 643327000 /nfs/dbraw/zinc/32/70/00/643327000.db2.gz NCCDEGKZYDRLIV-SECBINFHSA-N 1 2 230.764 3.171 20 0 BGADLO CC[C@@H]1CCC[N@@H+]1Cc1csc(Cl)n1 ZINC000306490601 643326998 /nfs/dbraw/zinc/32/69/98/643326998.db2.gz NCCDEGKZYDRLIV-SECBINFHSA-N 1 2 230.764 3.171 20 0 BGADLO CC[C@H]1CCC[N@H+]1Cc1csc(Cl)n1 ZINC000306490609 643327461 /nfs/dbraw/zinc/32/74/61/643327461.db2.gz NCCDEGKZYDRLIV-VIFPVBQESA-N 1 2 230.764 3.171 20 0 BGADLO CC[C@H]1CCC[N@@H+]1Cc1csc(Cl)n1 ZINC000306490609 643327457 /nfs/dbraw/zinc/32/74/57/643327457.db2.gz NCCDEGKZYDRLIV-VIFPVBQESA-N 1 2 230.764 3.171 20 0 BGADLO Cc1cc[nH+]c(NCCC2CC2)c1Cl ZINC000306499486 490640101 /nfs/dbraw/zinc/64/01/01/490640101.db2.gz WANUTWPRYHAJEM-UHFFFAOYSA-N 1 2 210.708 3.255 20 0 BGADLO C[N@@H+](Cc1ccsc1Br)C1CC1 ZINC000306523488 323172964 /nfs/dbraw/zinc/17/29/64/323172964.db2.gz SPVFYKBZYLRVMJ-UHFFFAOYSA-N 1 2 246.173 3.105 20 0 BGADLO C[N@H+](Cc1ccsc1Br)C1CC1 ZINC000306523488 323172963 /nfs/dbraw/zinc/17/29/63/323172963.db2.gz SPVFYKBZYLRVMJ-UHFFFAOYSA-N 1 2 246.173 3.105 20 0 BGADLO Cc1cc[nH+]c(NC2CC=CC2)c1Cl ZINC000306611598 490642635 /nfs/dbraw/zinc/64/26/35/490642635.db2.gz GOXNGEHVFKVZNO-UHFFFAOYSA-N 1 2 208.692 3.174 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCC[C@H]1C)C(F)(F)F ZINC000306614881 384786974 /nfs/dbraw/zinc/78/69/74/384786974.db2.gz MIIMJKQCHVOLDE-HLTSFMKQSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(F)(F)F ZINC000306614882 384786324 /nfs/dbraw/zinc/78/63/24/384786324.db2.gz MIIMJKQCHVOLDE-HRDYMLBCSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1C)C(F)(F)F ZINC000306614883 384787954 /nfs/dbraw/zinc/78/79/54/384787954.db2.gz MIIMJKQCHVOLDE-IWSPIJDZSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(F)(F)F ZINC000306614884 387883382 /nfs/dbraw/zinc/88/33/82/387883382.db2.gz MIIMJKQCHVOLDE-VGMNWLOBSA-N 1 2 209.255 3.106 20 0 BGADLO Clc1ccc(Cl)c(C[NH+]2CCC2)c1 ZINC000306730813 350900823 /nfs/dbraw/zinc/90/08/23/350900823.db2.gz PXZQVTCKBACBOL-UHFFFAOYSA-N 1 2 216.111 3.199 20 0 BGADLO Clc1ccc(C[NH+]2CCC2)c(Cl)c1 ZINC000306788332 351038614 /nfs/dbraw/zinc/03/86/14/351038614.db2.gz RSRDMGNWXQXKDW-UHFFFAOYSA-N 1 2 216.111 3.199 20 0 BGADLO CC[C@@]1(C)CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC000306960966 643333419 /nfs/dbraw/zinc/33/34/19/643333419.db2.gz ZXIXQWQRZRANFJ-NSHDSACASA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@@]1(C)CC[N@H+](Cc2csc(Cl)n2)C1 ZINC000306960966 643333415 /nfs/dbraw/zinc/33/34/15/643333415.db2.gz ZXIXQWQRZRANFJ-NSHDSACASA-N 1 2 244.791 3.419 20 0 BGADLO CSc1ccc(NCC2(C)CC2)[nH+]c1 ZINC000307000169 582821880 /nfs/dbraw/zinc/82/18/80/582821880.db2.gz BPOXFRRAONVMGQ-UHFFFAOYSA-N 1 2 208.330 3.016 20 0 BGADLO Clc1nc(C[N@H+]2CC[C@@H](C3CC3)C2)cs1 ZINC000307004884 635978306 /nfs/dbraw/zinc/97/83/06/635978306.db2.gz JTNSZDWZKMPFCW-SECBINFHSA-N 1 2 242.775 3.028 20 0 BGADLO Clc1nc(C[N@@H+]2CC[C@@H](C3CC3)C2)cs1 ZINC000307004884 635978303 /nfs/dbraw/zinc/97/83/03/635978303.db2.gz JTNSZDWZKMPFCW-SECBINFHSA-N 1 2 242.775 3.028 20 0 BGADLO Clc1nc(C[N@H+]2CC[C@H](C3CC3)C2)cs1 ZINC000307004891 635979242 /nfs/dbraw/zinc/97/92/42/635979242.db2.gz JTNSZDWZKMPFCW-VIFPVBQESA-N 1 2 242.775 3.028 20 0 BGADLO Clc1nc(C[N@@H+]2CC[C@H](C3CC3)C2)cs1 ZINC000307004891 635979239 /nfs/dbraw/zinc/97/92/39/635979239.db2.gz JTNSZDWZKMPFCW-VIFPVBQESA-N 1 2 242.775 3.028 20 0 BGADLO Clc1sccc1CNc1cccc[nH+]1 ZINC000307082906 385653843 /nfs/dbraw/zinc/65/38/43/385653843.db2.gz UVVCVBXMVQDTRZ-UHFFFAOYSA-N 1 2 224.716 3.409 20 0 BGADLO Clc1cscc1CNc1cccc[nH+]1 ZINC000307196253 643419188 /nfs/dbraw/zinc/41/91/88/643419188.db2.gz SXQUITMRUAGWQF-UHFFFAOYSA-N 1 2 224.716 3.409 20 0 BGADLO Cc1csc(CNc2cccc[nH+]2)c1 ZINC000307211532 385665599 /nfs/dbraw/zinc/66/55/99/385665599.db2.gz SYGIYKLZGKXNDG-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO FC1(F)CCC[C@H]1[NH2+]Cc1cccs1 ZINC000307355493 490658105 /nfs/dbraw/zinc/65/81/05/490658105.db2.gz UHYLGNICFSTEAY-SECBINFHSA-N 1 2 217.284 3.026 20 0 BGADLO FC1(F)CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000307355494 490657687 /nfs/dbraw/zinc/65/76/87/490657687.db2.gz UHYLGNICFSTEAY-VIFPVBQESA-N 1 2 217.284 3.026 20 0 BGADLO Cc1cc(CNc2cccc[nH+]2)cs1 ZINC000307478172 178044895 /nfs/dbraw/zinc/04/48/95/178044895.db2.gz IRECKWKBEGSXLG-UHFFFAOYSA-N 1 2 204.298 3.064 20 0 BGADLO FC(F)C1([NH2+]Cc2ccccc2)CCCC1 ZINC000307481365 491118506 /nfs/dbraw/zinc/11/85/06/491118506.db2.gz KWTKRBKBZGPGRO-UHFFFAOYSA-N 1 2 225.282 3.354 20 0 BGADLO C[C@@H]1CCCC[C@]1(C)[NH2+]CC(F)(F)F ZINC000307483903 388424545 /nfs/dbraw/zinc/42/45/45/388424545.db2.gz STTLYZQRNXPIHM-BDAKNGLRSA-N 1 2 209.255 3.107 20 0 BGADLO C[C@H]1CCCC[C@@]1(C)[NH2+]CC(F)(F)F ZINC000307483904 388424151 /nfs/dbraw/zinc/42/41/51/388424151.db2.gz STTLYZQRNXPIHM-DTWKUNHWSA-N 1 2 209.255 3.107 20 0 BGADLO C[C@H]1CCCC[C@]1(C)[NH2+]CC(F)(F)F ZINC000307483906 388424769 /nfs/dbraw/zinc/42/47/69/388424769.db2.gz STTLYZQRNXPIHM-IUCAKERBSA-N 1 2 209.255 3.107 20 0 BGADLO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC(F)(F)F ZINC000307483907 388424896 /nfs/dbraw/zinc/42/48/96/388424896.db2.gz STTLYZQRNXPIHM-RKDXNWHRSA-N 1 2 209.255 3.107 20 0 BGADLO C[C@@H]([NH2+]C1CCCCCC1)C(F)(F)F ZINC000307516148 411513991 /nfs/dbraw/zinc/51/39/91/411513991.db2.gz HERCTAJUTSDVOG-MRVPVSSYSA-N 1 2 209.255 3.250 20 0 BGADLO C[C@H]([NH2+]C1CCCCCC1)C(F)(F)F ZINC000307516150 388424872 /nfs/dbraw/zinc/42/48/72/388424872.db2.gz HERCTAJUTSDVOG-QMMMGPOBSA-N 1 2 209.255 3.250 20 0 BGADLO CC1(C)CC[NH+](Cc2csc(Cl)n2)CC1 ZINC000307558375 643503027 /nfs/dbraw/zinc/50/30/27/643503027.db2.gz MPJJUTOAMCJSDL-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO FC1(F)CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000307629397 491133922 /nfs/dbraw/zinc/13/39/22/491133922.db2.gz MYIDQLPGBNMRKX-SECBINFHSA-N 1 2 217.284 3.026 20 0 BGADLO FC1(F)CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000307629399 491133950 /nfs/dbraw/zinc/13/39/50/491133950.db2.gz MYIDQLPGBNMRKX-VIFPVBQESA-N 1 2 217.284 3.026 20 0 BGADLO CC1=C(C)C[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC000307696313 635993456 /nfs/dbraw/zinc/99/34/56/635993456.db2.gz DEZZNASXHLNXSI-YHYXMXQVSA-N 1 2 220.143 3.348 20 0 BGADLO CC1=C(C)C[N@H+](C/C(Cl)=C/Cl)CC1 ZINC000307696313 635993453 /nfs/dbraw/zinc/99/34/53/635993453.db2.gz DEZZNASXHLNXSI-YHYXMXQVSA-N 1 2 220.143 3.348 20 0 BGADLO C/C=C/CNc1[nH+]ccc(C)c1Br ZINC000307739414 353121922 /nfs/dbraw/zinc/12/19/22/353121922.db2.gz YQOHZEVBNUDSIQ-ONEGZZNKSA-N 1 2 241.132 3.141 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000307749759 176145019 /nfs/dbraw/zinc/14/50/19/176145019.db2.gz HWDUKQRUQZHOJK-HLTSFMKQSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000307749760 385829636 /nfs/dbraw/zinc/82/96/36/385829636.db2.gz HWDUKQRUQZHOJK-HRDYMLBCSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000307749761 176124419 /nfs/dbraw/zinc/12/44/19/176124419.db2.gz HWDUKQRUQZHOJK-IWSPIJDZSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000307749762 385829578 /nfs/dbraw/zinc/82/95/78/385829578.db2.gz HWDUKQRUQZHOJK-VGMNWLOBSA-N 1 2 209.255 3.106 20 0 BGADLO CC[N@@H+](Cc1occc1Br)C1CC1 ZINC000308209668 642504252 /nfs/dbraw/zinc/50/42/52/642504252.db2.gz FTGYUKQTWNZBMY-UHFFFAOYSA-N 1 2 244.132 3.026 20 0 BGADLO CC[N@H+](Cc1occc1Br)C1CC1 ZINC000308209668 642504244 /nfs/dbraw/zinc/50/42/44/642504244.db2.gz FTGYUKQTWNZBMY-UHFFFAOYSA-N 1 2 244.132 3.026 20 0 BGADLO CC1(C)C[N@@H+](C/C(Cl)=C\Cl)CCS1 ZINC000308292690 631273918 /nfs/dbraw/zinc/27/39/18/631273918.db2.gz IEFQQMHEZXFQHR-VMPITWQZSA-N 1 2 240.199 3.133 20 0 BGADLO CC1(C)C[N@H+](C/C(Cl)=C\Cl)CCS1 ZINC000308292690 631273916 /nfs/dbraw/zinc/27/39/16/631273916.db2.gz IEFQQMHEZXFQHR-VMPITWQZSA-N 1 2 240.199 3.133 20 0 BGADLO CO[C@H]1C[C@H](Nc2ccc(C)[nH+]c2C)C12CCC2 ZINC000308367767 631236689 /nfs/dbraw/zinc/23/66/89/631236689.db2.gz MJFXWMLGIFDJPP-KBPBESRZSA-N 1 2 246.354 3.068 20 0 BGADLO CO[C@H]1C[C@@H](Nc2ccc(C)[nH+]c2C)C12CCC2 ZINC000308367769 631304857 /nfs/dbraw/zinc/30/48/57/631304857.db2.gz MJFXWMLGIFDJPP-KGLIPLIRSA-N 1 2 246.354 3.068 20 0 BGADLO CO[C@@H]1C[C@H](Nc2ccc(C)[nH+]c2C)C12CCC2 ZINC000308367771 631236352 /nfs/dbraw/zinc/23/63/52/631236352.db2.gz MJFXWMLGIFDJPP-UONOGXRCSA-N 1 2 246.354 3.068 20 0 BGADLO CO[C@@H]1C[C@@H](Nc2ccc(C)[nH+]c2C)C12CCC2 ZINC000308367773 631304995 /nfs/dbraw/zinc/30/49/95/631304995.db2.gz MJFXWMLGIFDJPP-ZIAGYGMSSA-N 1 2 246.354 3.068 20 0 BGADLO Clc1sccc1C[NH2+]Cc1nccs1 ZINC000308512960 384777881 /nfs/dbraw/zinc/77/78/81/384777881.db2.gz LERVCNAQXJVKPF-UHFFFAOYSA-N 1 2 244.772 3.148 20 0 BGADLO CC(C)(C)OCCNc1ccc2ccccc2[nH+]1 ZINC000308531813 259340352 /nfs/dbraw/zinc/34/03/52/259340352.db2.gz RKYHPCQRXBCCED-UHFFFAOYSA-N 1 2 244.338 3.462 20 0 BGADLO CC(C)C[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000308533763 323175227 /nfs/dbraw/zinc/17/52/27/323175227.db2.gz SEOGOBGYOQUMJN-MRVPVSSYSA-N 1 2 211.271 3.209 20 0 BGADLO CC(C)C[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000308533767 323175229 /nfs/dbraw/zinc/17/52/29/323175229.db2.gz SEOGOBGYOQUMJN-QMMMGPOBSA-N 1 2 211.271 3.209 20 0 BGADLO CC(C)C[C@@H](C)C[NH2+][C@@H](C)C(F)(F)F ZINC000308538301 388441830 /nfs/dbraw/zinc/44/18/30/388441830.db2.gz TYEJMCKDILSSIA-BDAKNGLRSA-N 1 2 211.271 3.209 20 0 BGADLO CC(C)C[C@H](C)C[NH2+][C@H](C)C(F)(F)F ZINC000308538304 388441627 /nfs/dbraw/zinc/44/16/27/388441627.db2.gz TYEJMCKDILSSIA-DTWKUNHWSA-N 1 2 211.271 3.209 20 0 BGADLO CC(C)C[C@H](C)C[NH2+][C@@H](C)C(F)(F)F ZINC000308538307 388441548 /nfs/dbraw/zinc/44/15/48/388441548.db2.gz TYEJMCKDILSSIA-IUCAKERBSA-N 1 2 211.271 3.209 20 0 BGADLO CC(C)C[C@@H](C)C[NH2+][C@H](C)C(F)(F)F ZINC000308538309 528253281 /nfs/dbraw/zinc/25/32/81/528253281.db2.gz TYEJMCKDILSSIA-RKDXNWHRSA-N 1 2 211.271 3.209 20 0 BGADLO CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)C(F)(F)F ZINC000308568059 384816981 /nfs/dbraw/zinc/81/69/81/384816981.db2.gz BFPNTBAGUYABAP-CIUDSAMLSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C(F)(F)F ZINC000308568065 384817490 /nfs/dbraw/zinc/81/74/90/384817490.db2.gz BFPNTBAGUYABAP-HLTSFMKQSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C(F)(F)F ZINC000308568071 384817303 /nfs/dbraw/zinc/81/73/03/384817303.db2.gz BFPNTBAGUYABAP-VGMNWLOBSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CC[C@H](C)C1)C(F)(F)F ZINC000308568076 411381969 /nfs/dbraw/zinc/38/19/69/411381969.db2.gz BFPNTBAGUYABAP-YIZRAAEISA-N 1 2 209.255 3.106 20 0 BGADLO CCC(CC)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000308571102 388443472 /nfs/dbraw/zinc/44/34/72/388443472.db2.gz BZAFMFQITGNRQM-VIFPVBQESA-N 1 2 211.271 3.352 20 0 BGADLO CC[C@@](C)([NH2+]CCC1CC1)C(F)(F)F ZINC000308585991 323080609 /nfs/dbraw/zinc/08/06/09/323080609.db2.gz IJJPFAQYAXLDPU-SECBINFHSA-N 1 2 209.255 3.107 20 0 BGADLO CC[C@](C)([NH2+]CCC1CC1)C(F)(F)F ZINC000308585992 323176002 /nfs/dbraw/zinc/17/60/02/323176002.db2.gz IJJPFAQYAXLDPU-VIFPVBQESA-N 1 2 209.255 3.107 20 0 BGADLO CC[C@H]([NH2+]CCCC(C)C)C(F)(F)F ZINC000308590472 388444313 /nfs/dbraw/zinc/44/43/13/388444313.db2.gz KBXBPLQSPDKVFS-VIFPVBQESA-N 1 2 211.271 3.353 20 0 BGADLO CC[C@H]([NH2+][C@H](C)CC1CC1)C(F)(F)F ZINC000308595655 384832122 /nfs/dbraw/zinc/83/21/22/384832122.db2.gz MHQHCTUEQPJQGI-APPZFPTMSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)CC1CC1)C(F)(F)F ZINC000308595657 384832382 /nfs/dbraw/zinc/83/23/82/384832382.db2.gz MHQHCTUEQPJQGI-CBAPKCEASA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@@](C)([NH2+]CCC(C)C)C(F)(F)F ZINC000308595918 323176097 /nfs/dbraw/zinc/17/60/97/323176097.db2.gz MNORPOMMAYDKRZ-SECBINFHSA-N 1 2 211.271 3.353 20 0 BGADLO CC[C@](C)([NH2+]CCC(C)C)C(F)(F)F ZINC000308595919 323176148 /nfs/dbraw/zinc/17/61/48/323176148.db2.gz MNORPOMMAYDKRZ-VIFPVBQESA-N 1 2 211.271 3.353 20 0 BGADLO CC[C@H]([NH2+]CCC(C)(C)C)C(F)(F)F ZINC000308596665 529595212 /nfs/dbraw/zinc/59/52/12/529595212.db2.gz MULYFUYKKVZESG-QMMMGPOBSA-N 1 2 211.271 3.353 20 0 BGADLO CC[C@H]([NH2+][C@H](C)C1CCC1)C(F)(F)F ZINC000308608975 384865449 /nfs/dbraw/zinc/86/54/49/384865449.db2.gz QFANZRFCCTWCEK-APPZFPTMSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)C1CCC1)C(F)(F)F ZINC000308608977 384865560 /nfs/dbraw/zinc/86/55/60/384865560.db2.gz QFANZRFCCTWCEK-CBAPKCEASA-N 1 2 209.255 3.106 20 0 BGADLO CCCC[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000308611772 323080674 /nfs/dbraw/zinc/08/06/74/323080674.db2.gz QWVGCXJKVDCDCT-MRVPVSSYSA-N 1 2 211.271 3.353 20 0 BGADLO CCCC[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000308611773 323176291 /nfs/dbraw/zinc/17/62/91/323176291.db2.gz QWVGCXJKVDCDCT-QMMMGPOBSA-N 1 2 211.271 3.353 20 0 BGADLO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C(F)(F)F ZINC000308633843 409895639 /nfs/dbraw/zinc/89/56/39/409895639.db2.gz BWNQWODHGDVCPI-HTQZYQBOSA-N 1 2 211.271 3.209 20 0 BGADLO C[C@@H](C[NH2+][C@H](C)C(F)(F)F)C(C)(C)C ZINC000308633844 409894799 /nfs/dbraw/zinc/89/47/99/409894799.db2.gz BWNQWODHGDVCPI-JGVFFNPUSA-N 1 2 211.271 3.209 20 0 BGADLO C[C@H](C[NH2+][C@@H](C)C(F)(F)F)C(C)(C)C ZINC000308633845 409895257 /nfs/dbraw/zinc/89/52/57/409895257.db2.gz BWNQWODHGDVCPI-SFYZADRCSA-N 1 2 211.271 3.209 20 0 BGADLO C[C@@H](C[NH2+][C@@H](C)C(F)(F)F)C(C)(C)C ZINC000308633846 409895979 /nfs/dbraw/zinc/89/59/79/409895979.db2.gz BWNQWODHGDVCPI-YUMQZZPRSA-N 1 2 211.271 3.209 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)(F)F)C1CCCC1 ZINC000308640720 384889340 /nfs/dbraw/zinc/88/93/40/384889340.db2.gz DQMLGKUZFGMPJG-HTQZYQBOSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(F)(F)F ZINC000308640721 384890024 /nfs/dbraw/zinc/89/00/24/384890024.db2.gz DQMLGKUZFGMPJG-JGVFFNPUSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1CCCC1 ZINC000308640722 384889512 /nfs/dbraw/zinc/88/95/12/384889512.db2.gz DQMLGKUZFGMPJG-SFYZADRCSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)(F)F)C1CCCC1 ZINC000308640723 383841287 /nfs/dbraw/zinc/84/12/87/383841287.db2.gz DQMLGKUZFGMPJG-YUMQZZPRSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@@H]([NH2+]C1(C(F)F)CC1)c1ccsc1 ZINC000308653979 384895392 /nfs/dbraw/zinc/89/53/92/384895392.db2.gz MUMSGPARJMCYAT-SSDOTTSWSA-N 1 2 217.284 3.196 20 0 BGADLO C[C@H]([NH2+]C1(C(F)F)CC1)c1ccsc1 ZINC000308653980 176826790 /nfs/dbraw/zinc/82/67/90/176826790.db2.gz MUMSGPARJMCYAT-ZETCQYMHSA-N 1 2 217.284 3.196 20 0 BGADLO CC(C)[C@@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000308660931 528420408 /nfs/dbraw/zinc/42/04/08/528420408.db2.gz PWHRNTVXQDTZPJ-BDAKNGLRSA-N 1 2 211.271 3.207 20 0 BGADLO CC(C)[C@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000308660932 528972505 /nfs/dbraw/zinc/97/25/05/528972505.db2.gz PWHRNTVXQDTZPJ-IUCAKERBSA-N 1 2 211.271 3.207 20 0 BGADLO CCC(CC)C[NH2+][C@@H](CC)C(F)(F)F ZINC000308728160 385039979 /nfs/dbraw/zinc/03/99/79/385039979.db2.gz HRIPMMZXZLYCKD-VIFPVBQESA-N 1 2 211.271 3.353 20 0 BGADLO Cc1ccsc1C[NH2+]C(C)(C)C(F)F ZINC000308735824 538117315 /nfs/dbraw/zinc/11/73/15/538117315.db2.gz LHVAPCWMBYFKEY-UHFFFAOYSA-N 1 2 219.300 3.190 20 0 BGADLO CSCCCNc1[nH+]ccc(C)c1Cl ZINC000308735899 385053712 /nfs/dbraw/zinc/05/37/12/385053712.db2.gz LJZRACWHRSFVKZ-UHFFFAOYSA-N 1 2 230.764 3.208 20 0 BGADLO CCC[C@@H](C)C[NH2+][C@@H](CC)C(F)(F)F ZINC000308737280 528878285 /nfs/dbraw/zinc/87/82/85/528878285.db2.gz MGFGWOIJTUCYFK-BDAKNGLRSA-N 1 2 211.271 3.353 20 0 BGADLO CCC[C@H](C)C[NH2+][C@@H](CC)C(F)(F)F ZINC000308737281 528033442 /nfs/dbraw/zinc/03/34/42/528033442.db2.gz MGFGWOIJTUCYFK-IUCAKERBSA-N 1 2 211.271 3.353 20 0 BGADLO CCCC(CCC)[NH2+][C@H](C)C(F)(F)F ZINC000308749051 528000332 /nfs/dbraw/zinc/00/03/32/528000332.db2.gz SUKAMRJOGLZCQX-MRVPVSSYSA-N 1 2 211.271 3.496 20 0 BGADLO CCCC(CCC)[NH2+][C@@H](C)C(F)(F)F ZINC000308749055 385065198 /nfs/dbraw/zinc/06/51/98/385065198.db2.gz SUKAMRJOGLZCQX-QMMMGPOBSA-N 1 2 211.271 3.496 20 0 BGADLO CC[C@@](C)([NH2+]C1CCCC1)C(F)(F)F ZINC000308751668 323177667 /nfs/dbraw/zinc/17/76/67/323177667.db2.gz UQQIVXYLLHDGQD-SECBINFHSA-N 1 2 209.255 3.250 20 0 BGADLO CC[C@](C)([NH2+]C1CCCC1)C(F)(F)F ZINC000308751669 323177697 /nfs/dbraw/zinc/17/76/97/323177697.db2.gz UQQIVXYLLHDGQD-VIFPVBQESA-N 1 2 209.255 3.250 20 0 BGADLO Cc1cc[nH+]c(NCCCCF)c1Cl ZINC000308762479 385082497 /nfs/dbraw/zinc/08/24/97/385082497.db2.gz YPWNDBIUVWKQOE-UHFFFAOYSA-N 1 2 216.687 3.205 20 0 BGADLO CC(C)C(C)(C)SCc1cc[nH+]c(N)c1 ZINC000308808326 631664176 /nfs/dbraw/zinc/66/41/76/631664176.db2.gz BMLCVXOEBYMSMH-UHFFFAOYSA-N 1 2 224.373 3.332 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C)C1)C(F)(F)F ZINC000308814582 529126105 /nfs/dbraw/zinc/12/61/05/529126105.db2.gz AGVGXDPACSPKQN-AEJSXWLSSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C(F)(F)F ZINC000308814586 529126393 /nfs/dbraw/zinc/12/63/93/529126393.db2.gz AGVGXDPACSPKQN-BBBLOLIVSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C)C1)C(F)(F)F ZINC000308814590 529126862 /nfs/dbraw/zinc/12/68/62/529126862.db2.gz AGVGXDPACSPKQN-GUBZILKMSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C(F)(F)F ZINC000308814593 259367622 /nfs/dbraw/zinc/36/76/22/259367622.db2.gz AGVGXDPACSPKQN-UTLUCORTSA-N 1 2 223.282 3.352 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CC[C@H]1C(C)C ZINC000308815761 491138428 /nfs/dbraw/zinc/13/84/28/491138428.db2.gz AOMUSBWUMPQCRW-AAEUAGOBSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CC[C@@H]1C(C)C ZINC000308815766 491138384 /nfs/dbraw/zinc/13/83/84/491138384.db2.gz AOMUSBWUMPQCRW-DGCLKSJQSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CC[C@H]1C(C)C ZINC000308815771 491138424 /nfs/dbraw/zinc/13/84/24/491138424.db2.gz AOMUSBWUMPQCRW-WCQYABFASA-N 1 2 204.317 3.237 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CC[C@@H]1C(C)C ZINC000308815777 491138418 /nfs/dbraw/zinc/13/84/18/491138418.db2.gz AOMUSBWUMPQCRW-YPMHNXCESA-N 1 2 204.317 3.237 20 0 BGADLO CC(C)[C@H]([NH2+][C@H](C)C1CCC1)C(F)(F)F ZINC000308826565 529125983 /nfs/dbraw/zinc/12/59/83/529125983.db2.gz AJUNPBAFWDBNBM-SCZZXKLOSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H](C)C1CCC1)C(F)(F)F ZINC000308826569 529125793 /nfs/dbraw/zinc/12/57/93/529125793.db2.gz AJUNPBAFWDBNBM-WPRPVWTQSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C(F)(F)F ZINC000308827696 533419829 /nfs/dbraw/zinc/41/98/29/533419829.db2.gz ANXFARDZODCRPW-BBBLOLIVSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(F)(F)F ZINC000308827697 229252230 /nfs/dbraw/zinc/25/22/30/229252230.db2.gz ANXFARDZODCRPW-KXUCPTDWSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(F)(F)F ZINC000308827698 229252412 /nfs/dbraw/zinc/25/24/12/229252412.db2.gz ANXFARDZODCRPW-OPRDCNLKSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C(F)(F)F ZINC000308827699 229251782 /nfs/dbraw/zinc/25/17/82/229251782.db2.gz ANXFARDZODCRPW-UTLUCORTSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)(C)[C@@H]([NH2+]CC1CCC1)C(F)(F)F ZINC000308837945 346925075 /nfs/dbraw/zinc/92/50/75/346925075.db2.gz IYGNKVZDGBPSII-SECBINFHSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)(C)[C@H]([NH2+]CC1CCC1)C(F)(F)F ZINC000308837947 346925332 /nfs/dbraw/zinc/92/53/32/346925332.db2.gz IYGNKVZDGBPSII-VIFPVBQESA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)[C@H]([NH2+]C1CCCCC1)C(F)(F)F ZINC000308845456 529117210 /nfs/dbraw/zinc/11/72/10/529117210.db2.gz MCIMKRAUSLTLAB-JTQLQIEISA-N 1 2 223.282 3.496 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)CCC1CC1 ZINC000308850431 180225565 /nfs/dbraw/zinc/22/55/65/180225565.db2.gz OAWVURKTGFMYHD-JTQLQIEISA-N 1 2 204.317 3.381 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)CCC1CC1 ZINC000308850433 180228483 /nfs/dbraw/zinc/22/84/83/180228483.db2.gz OAWVURKTGFMYHD-SNVBAGLBSA-N 1 2 204.317 3.381 20 0 BGADLO Clc1cccc(CNc2c[nH]c[nH+]2)c1Cl ZINC000308854106 346925841 /nfs/dbraw/zinc/92/58/41/346925841.db2.gz JVCLPADOYWRAFS-UHFFFAOYSA-N 1 2 242.109 3.329 20 0 BGADLO FC(F)(F)[C@@H]([NH2+]C1CCCCC1)C1CC1 ZINC000308858980 534408448 /nfs/dbraw/zinc/40/84/48/534408448.db2.gz WNBHYDAXRKTENU-JTQLQIEISA-N 1 2 221.266 3.250 20 0 BGADLO FC(F)(F)[C@H]([NH2+]C1CCCCC1)C1CC1 ZINC000308858983 534410747 /nfs/dbraw/zinc/41/07/47/534410747.db2.gz WNBHYDAXRKTENU-SNVBAGLBSA-N 1 2 221.266 3.250 20 0 BGADLO FC1(F)CCC(Nc2cccc[nH+]2)CC1 ZINC000308859726 385223261 /nfs/dbraw/zinc/22/32/61/385223261.db2.gz ZEQGQKBMJMFFKC-UHFFFAOYSA-N 1 2 212.243 3.071 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CC[C@@H]2C(C)C)c1 ZINC000308861311 491139304 /nfs/dbraw/zinc/13/93/04/491139304.db2.gz RMWDOAUSUROUDX-CHWSQXEVSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CC[C@@H]2C(C)C)c1 ZINC000308861312 491139331 /nfs/dbraw/zinc/13/93/31/491139331.db2.gz RMWDOAUSUROUDX-OLZOCXBDSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CC[C@H]2C(C)C)c1 ZINC000308861313 491139325 /nfs/dbraw/zinc/13/93/25/491139325.db2.gz RMWDOAUSUROUDX-QWHCGFSZSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CC[C@H]2C(C)C)c1 ZINC000308861314 491139317 /nfs/dbraw/zinc/13/93/17/491139317.db2.gz RMWDOAUSUROUDX-STQMWFEESA-N 1 2 204.317 3.237 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C(F)(F)F ZINC000308864809 491139179 /nfs/dbraw/zinc/13/91/79/491139179.db2.gz ABSHYQOGDCFJKZ-AEJSXWLSSA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C(F)(F)F ZINC000308864810 491139207 /nfs/dbraw/zinc/13/92/07/491139207.db2.gz ABSHYQOGDCFJKZ-BBBLOLIVSA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C(F)(F)F ZINC000308864811 491139212 /nfs/dbraw/zinc/13/92/12/491139212.db2.gz ABSHYQOGDCFJKZ-GUBZILKMSA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C(F)(F)F ZINC000308864812 491139182 /nfs/dbraw/zinc/13/91/82/491139182.db2.gz ABSHYQOGDCFJKZ-UTLUCORTSA-N 1 2 221.266 3.106 20 0 BGADLO FC(F)C1([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000308867934 385224095 /nfs/dbraw/zinc/22/40/95/385224095.db2.gz HEPPLCRSNMDEAB-UHFFFAOYSA-N 1 2 231.673 3.227 20 0 BGADLO Clc1ccc(CNc2c[nH]c[nH+]2)cc1Cl ZINC000308873214 349014892 /nfs/dbraw/zinc/01/48/92/349014892.db2.gz LSFXFRYAHRQATO-UHFFFAOYSA-N 1 2 242.109 3.329 20 0 BGADLO Clc1cc(Cl)cc(CNc2c[nH]c[nH+]2)c1 ZINC000308874975 398034850 /nfs/dbraw/zinc/03/48/50/398034850.db2.gz MUQJXROUJXXOHN-UHFFFAOYSA-N 1 2 242.109 3.329 20 0 BGADLO Clc1ccc(Cl)c(CNc2c[nH]c[nH+]2)c1 ZINC000308880867 349017692 /nfs/dbraw/zinc/01/76/92/349017692.db2.gz QATFDAIHABNFLR-UHFFFAOYSA-N 1 2 242.109 3.329 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)[C@H]1C)C(F)(F)F ZINC000308882065 529126809 /nfs/dbraw/zinc/12/68/09/529126809.db2.gz UQBGYSCUAQTDBI-IMSYWVGJSA-N 1 2 223.282 3.207 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)[C@@H]1C)C(F)(F)F ZINC000308882066 529126872 /nfs/dbraw/zinc/12/68/72/529126872.db2.gz UQBGYSCUAQTDBI-KATARQTJSA-N 1 2 223.282 3.207 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)C(F)(F)F ZINC000308882067 529125949 /nfs/dbraw/zinc/12/59/49/529125949.db2.gz UQBGYSCUAQTDBI-KYXWUPHJSA-N 1 2 223.282 3.207 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C(F)(F)F ZINC000308882068 529126279 /nfs/dbraw/zinc/12/62/79/529126279.db2.gz UQBGYSCUAQTDBI-RGOKHQFPSA-N 1 2 223.282 3.207 20 0 BGADLO FCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000308886805 385252589 /nfs/dbraw/zinc/25/25/89/385252589.db2.gz UHKGGUUQJFFPHL-UHFFFAOYSA-N 1 2 224.666 3.270 20 0 BGADLO FC(F)C1([NH2+]Cc2ccsc2)CCCC1 ZINC000308891123 491139785 /nfs/dbraw/zinc/13/97/85/491139785.db2.gz WWWAGIGIXYHPEJ-UHFFFAOYSA-N 1 2 231.311 3.416 20 0 BGADLO CC(C)CCC[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000308892674 527704950 /nfs/dbraw/zinc/70/49/50/527704950.db2.gz YFUZJGTUKZRZFH-JTQLQIEISA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)CCC[NH2+][C@H](C1CC1)C(F)(F)F ZINC000308892677 527704889 /nfs/dbraw/zinc/70/48/89/527704889.db2.gz YFUZJGTUKZRZFH-SNVBAGLBSA-N 1 2 223.282 3.353 20 0 BGADLO FC(F)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000308901166 491140075 /nfs/dbraw/zinc/14/00/75/491140075.db2.gz GVHIJRYNGBDGHE-UHFFFAOYSA-N 1 2 231.673 3.184 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1CCCCC1 ZINC000308921041 229257619 /nfs/dbraw/zinc/25/76/19/229257619.db2.gz CETPFVHWCBXZNM-BDAKNGLRSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(F)(F)F ZINC000308921042 533495188 /nfs/dbraw/zinc/49/51/88/533495188.db2.gz CETPFVHWCBXZNM-DTWKUNHWSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)(F)F)C1CCCCC1 ZINC000308921043 229258144 /nfs/dbraw/zinc/25/81/44/229258144.db2.gz CETPFVHWCBXZNM-IUCAKERBSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)(F)F)C1CCCCC1 ZINC000308921044 533531656 /nfs/dbraw/zinc/53/16/56/533531656.db2.gz CETPFVHWCBXZNM-RKDXNWHRSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)C(F)(F)F ZINC000308921147 229257725 /nfs/dbraw/zinc/25/77/25/229257725.db2.gz CGLYHQGHNXCJNB-IMSYWVGJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C(F)(F)F ZINC000308921149 229257672 /nfs/dbraw/zinc/25/76/72/229257672.db2.gz CGLYHQGHNXCJNB-KATARQTJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@H]1C)C(F)(F)F ZINC000308921151 229257894 /nfs/dbraw/zinc/25/78/94/229257894.db2.gz CGLYHQGHNXCJNB-KYXWUPHJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)C(F)(F)F ZINC000308921676 229258268 /nfs/dbraw/zinc/25/82/68/229258268.db2.gz CGLYHQGHNXCJNB-RGOKHQFPSA-N 1 2 223.282 3.352 20 0 BGADLO CCC1CCC([NH2+][C@@H](C)C(F)(F)F)CC1 ZINC000308930791 527860012 /nfs/dbraw/zinc/86/00/12/527860012.db2.gz JNAAJABMACDKNU-IDKOKCKLSA-N 1 2 223.282 3.496 20 0 BGADLO CCC1CCC([NH2+][C@H](C)C(F)(F)F)CC1 ZINC000308930794 527859893 /nfs/dbraw/zinc/85/98/93/527859893.db2.gz JNAAJABMACDKNU-XNWIYYODSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@](C)([NH2+]CC1(C)CCC1)C(F)(F)F ZINC000308931297 349126142 /nfs/dbraw/zinc/12/61/42/349126142.db2.gz MGZDUNXWPDVQHQ-JTQLQIEISA-N 1 2 223.282 3.497 20 0 BGADLO CC[C@@](C)([NH2+]CC1(C)CCC1)C(F)(F)F ZINC000308931298 349126126 /nfs/dbraw/zinc/12/61/26/349126126.db2.gz MGZDUNXWPDVQHQ-SNVBAGLBSA-N 1 2 223.282 3.497 20 0 BGADLO CC[C@H](CC(F)(F)F)Nc1cccc[nH+]1 ZINC000308933939 385303594 /nfs/dbraw/zinc/30/35/94/385303594.db2.gz KIZUHSCSCAZEGX-MRVPVSSYSA-N 1 2 218.222 3.225 20 0 BGADLO CC[C@@H](CC(F)(F)F)Nc1cccc[nH+]1 ZINC000308933940 385303061 /nfs/dbraw/zinc/30/30/61/385303061.db2.gz KIZUHSCSCAZEGX-QMMMGPOBSA-N 1 2 218.222 3.225 20 0 BGADLO CC[C@](C)([NH2+]CC1CCCC1)C(F)(F)F ZINC000308942973 323182244 /nfs/dbraw/zinc/18/22/44/323182244.db2.gz MSRHXBCQOBRULH-JTQLQIEISA-N 1 2 223.282 3.497 20 0 BGADLO CC[C@@](C)([NH2+]CC1CCCC1)C(F)(F)F ZINC000308942974 323182237 /nfs/dbraw/zinc/18/22/37/323182237.db2.gz MSRHXBCQOBRULH-SNVBAGLBSA-N 1 2 223.282 3.497 20 0 BGADLO c1ccc(N[C@@H]2CC3CCC2CC3)[nH+]c1 ZINC000308945222 385301325 /nfs/dbraw/zinc/30/13/25/385301325.db2.gz RWBUFOHVCVZFGJ-HTAVTVPLSA-N 1 2 202.301 3.072 20 0 BGADLO c1ccc(N[C@H]2CC3CCC2CC3)[nH+]c1 ZINC000308945224 385301240 /nfs/dbraw/zinc/30/12/40/385301240.db2.gz RWBUFOHVCVZFGJ-MCIGGMRASA-N 1 2 202.301 3.072 20 0 BGADLO COc1cc(C)ccc1[NH2+]CCCCF ZINC000308948866 385309852 /nfs/dbraw/zinc/30/98/52/385309852.db2.gz OOLYNKCSTMGBHM-UHFFFAOYSA-N 1 2 211.280 3.165 20 0 BGADLO CCC[C@@H](C)C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000308963664 528878327 /nfs/dbraw/zinc/87/83/27/528878327.db2.gz TVPUSQJDVGRNGY-PSASIEDQSA-N 1 2 223.282 3.353 20 0 BGADLO CCC[C@@H](C)C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000308963665 528878161 /nfs/dbraw/zinc/87/81/61/528878161.db2.gz TVPUSQJDVGRNGY-SCZZXKLOSA-N 1 2 223.282 3.353 20 0 BGADLO CCC[C@H](C)C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000308963666 528033582 /nfs/dbraw/zinc/03/35/82/528033582.db2.gz TVPUSQJDVGRNGY-WCBMZHEXSA-N 1 2 223.282 3.353 20 0 BGADLO CCC[C@H](C)C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000308963667 528033698 /nfs/dbraw/zinc/03/36/98/528033698.db2.gz TVPUSQJDVGRNGY-WPRPVWTQSA-N 1 2 223.282 3.353 20 0 BGADLO COc1cc(C)ccc1[NH2+]CCC1CC1 ZINC000308964193 491141349 /nfs/dbraw/zinc/14/13/49/491141349.db2.gz UEOVFMFMRVIDMB-UHFFFAOYSA-N 1 2 205.301 3.216 20 0 BGADLO CC[C@@H]1CCC[C@@H](C[NH2+]CC(F)(F)F)C1 ZINC000308964729 529302540 /nfs/dbraw/zinc/30/25/40/529302540.db2.gz UOOOCGKQLLLJJF-NXEZZACHSA-N 1 2 223.282 3.355 20 0 BGADLO CC[C@H]1CCC[C@H](C[NH2+]CC(F)(F)F)C1 ZINC000308964730 529229812 /nfs/dbraw/zinc/22/98/12/529229812.db2.gz UOOOCGKQLLLJJF-UWVGGRQHSA-N 1 2 223.282 3.355 20 0 BGADLO CC[C@H]1CCC[C@@H](C[NH2+]CC(F)(F)F)C1 ZINC000308964731 529221837 /nfs/dbraw/zinc/22/18/37/529221837.db2.gz UOOOCGKQLLLJJF-VHSXEESVSA-N 1 2 223.282 3.355 20 0 BGADLO CC[C@@H]1CCC[C@H](C[NH2+]CC(F)(F)F)C1 ZINC000308964732 529312598 /nfs/dbraw/zinc/31/25/98/529312598.db2.gz UOOOCGKQLLLJJF-ZJUUUORDSA-N 1 2 223.282 3.355 20 0 BGADLO CCc1nc([C@@H](C)[NH2+]C[C@@H](F)CC)cs1 ZINC000308969929 172001906 /nfs/dbraw/zinc/00/19/06/172001906.db2.gz YPJOHNYVXBSTAR-BDAKNGLRSA-N 1 2 230.352 3.104 20 0 BGADLO CCc1nc([C@H](C)[NH2+]C[C@H](F)CC)cs1 ZINC000308969930 172006265 /nfs/dbraw/zinc/00/62/65/172006265.db2.gz YPJOHNYVXBSTAR-DTWKUNHWSA-N 1 2 230.352 3.104 20 0 BGADLO CCc1nc([C@H](C)[NH2+]C[C@@H](F)CC)cs1 ZINC000308969931 172006056 /nfs/dbraw/zinc/00/60/56/172006056.db2.gz YPJOHNYVXBSTAR-IUCAKERBSA-N 1 2 230.352 3.104 20 0 BGADLO CCc1nc([C@@H](C)[NH2+]C[C@H](F)CC)cs1 ZINC000308969989 172002549 /nfs/dbraw/zinc/00/25/49/172002549.db2.gz YPJOHNYVXBSTAR-RKDXNWHRSA-N 1 2 230.352 3.104 20 0 BGADLO CC[C@H]([NH2+]CC1CCCCC1)C(F)(F)F ZINC000308972788 529593536 /nfs/dbraw/zinc/59/35/36/529593536.db2.gz AHIJIPCPFFFFFG-JTQLQIEISA-N 1 2 223.282 3.497 20 0 BGADLO CC(C)CC(CC(C)C)Nc1c[nH]c[nH+]1 ZINC000308977485 349261855 /nfs/dbraw/zinc/26/18/55/349261855.db2.gz HAGYWWXNJMLJLS-UHFFFAOYSA-N 1 2 209.337 3.282 20 0 BGADLO c1ccc(NCC2CCCCCC2)[nH+]c1 ZINC000308977535 534496740 /nfs/dbraw/zinc/49/67/40/534496740.db2.gz HBCCNYBJUYXXIF-UHFFFAOYSA-N 1 2 204.317 3.464 20 0 BGADLO C[C@H](Cc1ccsc1)[NH2+]C1(C(F)F)CC1 ZINC000308978901 487603541 /nfs/dbraw/zinc/60/35/41/487603541.db2.gz HKKRWYKOEADVRB-MRVPVSSYSA-N 1 2 231.311 3.066 20 0 BGADLO C[C@@H](Cc1ccsc1)[NH2+]C1(C(F)F)CC1 ZINC000308978905 487603623 /nfs/dbraw/zinc/60/36/23/487603623.db2.gz HKKRWYKOEADVRB-QMMMGPOBSA-N 1 2 231.311 3.066 20 0 BGADLO CC(C)(CNc1cccc[nH+]1)C(F)(F)F ZINC000308979762 323183054 /nfs/dbraw/zinc/18/30/54/323183054.db2.gz HTASPISUEQDJGM-UHFFFAOYSA-N 1 2 218.222 3.082 20 0 BGADLO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C(F)(F)F ZINC000308984248 534012113 /nfs/dbraw/zinc/01/21/13/534012113.db2.gz JELMPUCHAWAFGP-IMSYWVGJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C(F)(F)F ZINC000308984250 534011982 /nfs/dbraw/zinc/01/19/82/534011982.db2.gz JELMPUCHAWAFGP-KATARQTJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)C(F)(F)F ZINC000308984255 229286984 /nfs/dbraw/zinc/28/69/84/229286984.db2.gz JELMPUCHAWAFGP-KYXWUPHJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)C(F)(F)F ZINC000308984259 229286472 /nfs/dbraw/zinc/28/64/72/229286472.db2.gz JELMPUCHAWAFGP-RGOKHQFPSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+]C1CCC(F)(F)CC1)C(F)(F)F ZINC000308989337 488001869 /nfs/dbraw/zinc/00/18/69/488001869.db2.gz KSNXTCVYKUXBPJ-LURJTMIESA-N 1 2 231.208 3.105 20 0 BGADLO C[C@@H]([NH2+]C1CCC(F)(F)CC1)C(F)(F)F ZINC000308989338 488002050 /nfs/dbraw/zinc/00/20/50/488002050.db2.gz KSNXTCVYKUXBPJ-ZCFIWIBFSA-N 1 2 231.208 3.105 20 0 BGADLO CC(C)CNc1c[nH+]c2c(c1)CCCC2 ZINC000308992243 167018525 /nfs/dbraw/zinc/01/85/25/167018525.db2.gz LMYZOMKGOSSXBQ-UHFFFAOYSA-N 1 2 204.317 3.028 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C(F)(F)F ZINC000308999124 491141478 /nfs/dbraw/zinc/14/14/78/491141478.db2.gz NLQKLFMSEGGQRI-BBBLOLIVSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C(F)(F)F ZINC000308999125 491141515 /nfs/dbraw/zinc/14/15/15/491141515.db2.gz NLQKLFMSEGGQRI-KXUCPTDWSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C(F)(F)F ZINC000308999126 491141519 /nfs/dbraw/zinc/14/15/19/491141519.db2.gz NLQKLFMSEGGQRI-OPRDCNLKSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C(F)(F)F ZINC000308999127 491141457 /nfs/dbraw/zinc/14/14/57/491141457.db2.gz NLQKLFMSEGGQRI-UTLUCORTSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@@H]([NH2+]C1CCC(C)(C)CC1)C(F)(F)F ZINC000309002048 385362861 /nfs/dbraw/zinc/36/28/61/385362861.db2.gz OKBMCOHGHBLXSS-MRVPVSSYSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+]C1CCC(C)(C)CC1)C(F)(F)F ZINC000309002050 385363422 /nfs/dbraw/zinc/36/34/22/385363422.db2.gz OKBMCOHGHBLXSS-QMMMGPOBSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCCC[C@H]1C)C(F)(F)F ZINC000309009668 410198347 /nfs/dbraw/zinc/19/83/47/410198347.db2.gz RGEXARAMWQRXBG-BBBLOLIVSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1C)C(F)(F)F ZINC000309009669 410198358 /nfs/dbraw/zinc/19/83/58/410198358.db2.gz RGEXARAMWQRXBG-KXUCPTDWSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1C)C(F)(F)F ZINC000309009670 410198275 /nfs/dbraw/zinc/19/82/75/410198275.db2.gz RGEXARAMWQRXBG-OPRDCNLKSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCCC[C@H]1C)C(F)(F)F ZINC000309009671 410198320 /nfs/dbraw/zinc/19/83/20/410198320.db2.gz RGEXARAMWQRXBG-UTLUCORTSA-N 1 2 223.282 3.496 20 0 BGADLO Cc1cc(NC(C)(C)C(C)(C)C)nc[nH+]1 ZINC000309012866 178152889 /nfs/dbraw/zinc/15/28/89/178152889.db2.gz XZSIMNIRUBRRCN-UHFFFAOYSA-N 1 2 207.321 3.022 20 0 BGADLO C[C@H]([NH2+]C/C(Cl)=C\Cl)c1cncc(F)c1 ZINC000309015292 631801829 /nfs/dbraw/zinc/80/18/29/631801829.db2.gz UFAHNTGMPKKFGC-FHYFFISESA-N 1 2 249.116 3.190 20 0 BGADLO C[C@H]([NH2+]C/C(Cl)=C/Cl)c1cncc(F)c1 ZINC000309015295 631801882 /nfs/dbraw/zinc/80/18/82/631801882.db2.gz UFAHNTGMPKKFGC-MEVQIBDESA-N 1 2 249.116 3.190 20 0 BGADLO C[C@@H]([NH2+]C1(C(F)F)CC1)c1ccccc1 ZINC000309015643 385371224 /nfs/dbraw/zinc/37/12/24/385371224.db2.gz UHTHALYLOPUSEJ-SECBINFHSA-N 1 2 211.255 3.135 20 0 BGADLO C[C@H]([NH2+]C1(C(F)F)CC1)c1ccccc1 ZINC000309015647 385370741 /nfs/dbraw/zinc/37/07/41/385370741.db2.gz UHTHALYLOPUSEJ-VIFPVBQESA-N 1 2 211.255 3.135 20 0 BGADLO C[C@H](Cc1cccs1)[NH2+]C1(C(F)F)CC1 ZINC000309017384 487612869 /nfs/dbraw/zinc/61/28/69/487612869.db2.gz VAUIDEFLBZJLQV-MRVPVSSYSA-N 1 2 231.311 3.066 20 0 BGADLO C[C@@H](Cc1cccs1)[NH2+]C1(C(F)F)CC1 ZINC000309017385 487612582 /nfs/dbraw/zinc/61/25/82/487612582.db2.gz VAUIDEFLBZJLQV-QMMMGPOBSA-N 1 2 231.311 3.066 20 0 BGADLO C[C@@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000309018361 533539523 /nfs/dbraw/zinc/53/95/23/533539523.db2.gz VPELQPXMICOWKN-HLTSFMKQSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000309018362 229299412 /nfs/dbraw/zinc/29/94/12/229299412.db2.gz VPELQPXMICOWKN-HRDYMLBCSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000309018363 533515940 /nfs/dbraw/zinc/51/59/40/533515940.db2.gz VPELQPXMICOWKN-IWSPIJDZSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)C(F)(F)F ZINC000309018364 229299545 /nfs/dbraw/zinc/29/95/45/229299545.db2.gz VPELQPXMICOWKN-VGMNWLOBSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H](C1CC1)C(F)(F)F)C1CCC1 ZINC000309021620 385374349 /nfs/dbraw/zinc/37/43/49/385374349.db2.gz XLWNDNBTXBASQG-GMSGAONNSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)C1CCC1 ZINC000309021621 385374942 /nfs/dbraw/zinc/37/49/42/385374942.db2.gz XLWNDNBTXBASQG-OIBJUYFYSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H]([NH2+][C@@H](C1CC1)C(F)(F)F)C1CCC1 ZINC000309021622 385375040 /nfs/dbraw/zinc/37/50/40/385375040.db2.gz XLWNDNBTXBASQG-XCBNKYQSSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H](C1CC1)C(F)(F)F)C1CCC1 ZINC000309021623 385374235 /nfs/dbraw/zinc/37/42/35/385374235.db2.gz XLWNDNBTXBASQG-XVKPBYJWSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)(F)F)C1CCSCC1 ZINC000309026003 385369593 /nfs/dbraw/zinc/36/95/93/385369593.db2.gz ZXWGYWWQMBEMIM-HTQZYQBOSA-N 1 2 241.322 3.059 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)C(F)(F)F ZINC000309026004 385369035 /nfs/dbraw/zinc/36/90/35/385369035.db2.gz ZXWGYWWQMBEMIM-JGVFFNPUSA-N 1 2 241.322 3.059 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1CCSCC1 ZINC000309026005 385369436 /nfs/dbraw/zinc/36/94/36/385369436.db2.gz ZXWGYWWQMBEMIM-SFYZADRCSA-N 1 2 241.322 3.059 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)(F)F)C1CCSCC1 ZINC000309026006 385369644 /nfs/dbraw/zinc/36/96/44/385369644.db2.gz ZXWGYWWQMBEMIM-YUMQZZPRSA-N 1 2 241.322 3.059 20 0 BGADLO CC[C@H]([NH2+][C@H](C)CCC1CC1)C(F)(F)F ZINC000309028352 529664773 /nfs/dbraw/zinc/66/47/73/529664773.db2.gz CDRXQSPXYWUHTK-SCZZXKLOSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)CCC1CC1)C(F)(F)F ZINC000309028354 529649713 /nfs/dbraw/zinc/64/97/13/529649713.db2.gz CDRXQSPXYWUHTK-WPRPVWTQSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000309030907 529655876 /nfs/dbraw/zinc/65/58/76/529655876.db2.gz DQYCRJPJRQEXFW-AEJSXWLSSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(F)(F)F ZINC000309030908 529655926 /nfs/dbraw/zinc/65/59/26/529655926.db2.gz DQYCRJPJRQEXFW-BBBLOLIVSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000309030909 529669674 /nfs/dbraw/zinc/66/96/74/529669674.db2.gz DQYCRJPJRQEXFW-GUBZILKMSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(F)(F)F ZINC000309030910 529669772 /nfs/dbraw/zinc/66/97/72/529669772.db2.gz DQYCRJPJRQEXFW-UTLUCORTSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)C(F)(F)F ZINC000309043872 529650968 /nfs/dbraw/zinc/65/09/68/529650968.db2.gz NARUKZOVFWBQON-CIUDSAMLSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)C(F)(F)F ZINC000309043873 529666661 /nfs/dbraw/zinc/66/66/61/529666661.db2.gz NARUKZOVFWBQON-HLTSFMKQSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)C(F)(F)F ZINC000309043874 529665932 /nfs/dbraw/zinc/66/59/32/529665932.db2.gz NARUKZOVFWBQON-VGMNWLOBSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)C(F)(F)F ZINC000309043875 529650978 /nfs/dbraw/zinc/65/09/78/529650978.db2.gz NARUKZOVFWBQON-YIZRAAEISA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]([NH2+]C1CCC(C)CC1)C(F)(F)F ZINC000309052694 529583560 /nfs/dbraw/zinc/58/35/60/529583560.db2.gz RULOLOOFAMLGHI-RTBKNWGFSA-N 1 2 223.282 3.496 20 0 BGADLO C(=C\c1ccccc1)\CNc1cccc[nH+]1 ZINC000309056585 166227870 /nfs/dbraw/zinc/22/78/70/166227870.db2.gz SITQVTHKHAHXTJ-TWGQIWQCSA-N 1 2 210.280 3.207 20 0 BGADLO CCc1ccc(C[NH2+]C(C)(C)C(F)F)s1 ZINC000309062483 491143871 /nfs/dbraw/zinc/14/38/71/491143871.db2.gz XNWYEFXEZZARQJ-UHFFFAOYSA-N 1 2 233.327 3.444 20 0 BGADLO CC[C@@H](F)C[NH2+]C1(C(F)F)CCCCC1 ZINC000309063461 529553468 /nfs/dbraw/zinc/55/34/68/529553468.db2.gz XZPFSRRSIKKOLA-SECBINFHSA-N 1 2 223.282 3.292 20 0 BGADLO CC[C@H](F)C[NH2+]C1(C(F)F)CCCCC1 ZINC000309063462 529438164 /nfs/dbraw/zinc/43/81/64/529438164.db2.gz XZPFSRRSIKKOLA-VIFPVBQESA-N 1 2 223.282 3.292 20 0 BGADLO CC(C)C[C@@H](C)C[C@@H](C)Nc1c[nH]c[nH+]1 ZINC000309071157 349826654 /nfs/dbraw/zinc/82/66/54/349826654.db2.gz DDBRWGJXQVYVOZ-GHMZBOCLSA-N 1 2 209.337 3.282 20 0 BGADLO CC(C)C[C@@H](C)C[C@H](C)Nc1c[nH]c[nH+]1 ZINC000309071158 349826611 /nfs/dbraw/zinc/82/66/11/349826611.db2.gz DDBRWGJXQVYVOZ-MNOVXSKESA-N 1 2 209.337 3.282 20 0 BGADLO CC(C)C[C@H](C)C[C@H](C)Nc1c[nH]c[nH+]1 ZINC000309071159 349826226 /nfs/dbraw/zinc/82/62/26/349826226.db2.gz DDBRWGJXQVYVOZ-QWRGUYRKSA-N 1 2 209.337 3.282 20 0 BGADLO CC(C)C[C@H](C)C[C@@H](C)Nc1c[nH]c[nH+]1 ZINC000309071160 349826216 /nfs/dbraw/zinc/82/62/16/349826216.db2.gz DDBRWGJXQVYVOZ-WDEREUQCSA-N 1 2 209.337 3.282 20 0 BGADLO CSc1ccc(NCC2(C)CCC2)[nH+]c1 ZINC000309072297 491144090 /nfs/dbraw/zinc/14/40/90/491144090.db2.gz FMUPPGCBQRJNSK-UHFFFAOYSA-N 1 2 222.357 3.406 20 0 BGADLO CC(C)(C)CC[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309077657 527671104 /nfs/dbraw/zinc/67/11/04/527671104.db2.gz MPFQWHKZLLXQRV-SECBINFHSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)(C)CC[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309077658 527670467 /nfs/dbraw/zinc/67/04/67/527670467.db2.gz MPFQWHKZLLXQRV-VIFPVBQESA-N 1 2 223.282 3.353 20 0 BGADLO CSc1ccc(NCC2(SC)CC2)[nH+]c1 ZINC000309082729 385401821 /nfs/dbraw/zinc/40/18/21/385401821.db2.gz SBSOOVRSLKHUAE-UHFFFAOYSA-N 1 2 240.397 3.111 20 0 BGADLO CS[C@@H](CNc1cccc[nH+]1)C(C)(C)C ZINC000309083478 385401901 /nfs/dbraw/zinc/40/19/01/385401901.db2.gz TVVVUZHJCNCLLP-JTQLQIEISA-N 1 2 224.373 3.271 20 0 BGADLO CS[C@H](CNc1cccc[nH+]1)C(C)(C)C ZINC000309083479 385402436 /nfs/dbraw/zinc/40/24/36/385402436.db2.gz TVVVUZHJCNCLLP-SNVBAGLBSA-N 1 2 224.373 3.271 20 0 BGADLO CC(C)([NH2+]CC(F)F)c1ccc(Cl)cc1 ZINC000309085269 349948263 /nfs/dbraw/zinc/94/82/63/349948263.db2.gz WOKILBVYWIAAMN-UHFFFAOYSA-N 1 2 233.689 3.430 20 0 BGADLO CSC1(CNc2[nH+]ccc(C)c2Cl)CC1 ZINC000309086678 385411265 /nfs/dbraw/zinc/41/12/65/385411265.db2.gz YMBDBMFZEVXUIT-UHFFFAOYSA-N 1 2 242.775 3.351 20 0 BGADLO Cc1cc(C[NH2+]C2(C(F)F)CC2)c(C)s1 ZINC000309089472 487648643 /nfs/dbraw/zinc/64/86/43/487648643.db2.gz BPYMAMHYIPKAQJ-UHFFFAOYSA-N 1 2 231.311 3.252 20 0 BGADLO Cc1cc[nH+]c(NC[C@H]2CCSC2)c1Cl ZINC000309092557 385414552 /nfs/dbraw/zinc/41/45/52/385414552.db2.gz CPWZOKQNIZTCEQ-SECBINFHSA-N 1 2 242.775 3.208 20 0 BGADLO Cc1cc[nH+]c(NC[C@@H]2CCSC2)c1Cl ZINC000309092558 179446760 /nfs/dbraw/zinc/44/67/60/179446760.db2.gz CPWZOKQNIZTCEQ-VIFPVBQESA-N 1 2 242.775 3.208 20 0 BGADLO Cc1ccsc1CNc1cc[nH+]cc1F ZINC000309093932 385405646 /nfs/dbraw/zinc/40/56/46/385405646.db2.gz DEVXOBAGLPMNIE-UHFFFAOYSA-N 1 2 222.288 3.203 20 0 BGADLO Cc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000309094877 491144719 /nfs/dbraw/zinc/14/47/19/491144719.db2.gz DNEKYMRHTXTQSJ-UHFFFAOYSA-N 1 2 213.271 3.128 20 0 BGADLO CC1(C)CCC[C@H](CNc2c[nH]c[nH+]2)C1 ZINC000309099548 323316730 /nfs/dbraw/zinc/31/67/30/323316730.db2.gz FDRMWDIPLQCOCV-JTQLQIEISA-N 1 2 207.321 3.038 20 0 BGADLO CC1(C)CCC[C@@H](CNc2c[nH]c[nH+]2)C1 ZINC000309099551 346962960 /nfs/dbraw/zinc/96/29/60/346962960.db2.gz FDRMWDIPLQCOCV-SNVBAGLBSA-N 1 2 207.321 3.038 20 0 BGADLO C[C@@H]([NH2+]Cc1cc(Cl)cs1)c1ccon1 ZINC000309107059 385426301 /nfs/dbraw/zinc/42/63/01/385426301.db2.gz IJDASBWQAWRMOX-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H]([NH2+]Cc1cc(Cl)cs1)c1ccon1 ZINC000309107060 176872971 /nfs/dbraw/zinc/87/29/71/176872971.db2.gz IJDASBWQAWRMOX-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H](Nc1c[nH]c[nH+]1)C1CCCCCC1 ZINC000309107085 491052453 /nfs/dbraw/zinc/05/24/53/491052453.db2.gz ILDIMBOJWMFLHO-JTQLQIEISA-N 1 2 207.321 3.181 20 0 BGADLO C[C@@H](Nc1c[nH]c[nH+]1)C1CCCCCC1 ZINC000309107086 491145069 /nfs/dbraw/zinc/14/50/69/491145069.db2.gz ILDIMBOJWMFLHO-SNVBAGLBSA-N 1 2 207.321 3.181 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccon1 ZINC000309115479 385423064 /nfs/dbraw/zinc/42/30/64/385423064.db2.gz LIEJGQKBEICVFK-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ccon1 ZINC000309115480 176874962 /nfs/dbraw/zinc/87/49/62/176874962.db2.gz LIEJGQKBEICVFK-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO Cc1ccc(N[C@@H]2CC=C(C)CC2)c[nH+]1 ZINC000309120123 350036821 /nfs/dbraw/zinc/03/68/21/350036821.db2.gz NIOPGHUZFUENLX-GFCCVEGCSA-N 1 2 202.301 3.301 20 0 BGADLO Cc1ccc(N[C@H]2CC=C(C)CC2)c[nH+]1 ZINC000309120124 350036638 /nfs/dbraw/zinc/03/66/38/350036638.db2.gz NIOPGHUZFUENLX-LBPRGKRZSA-N 1 2 202.301 3.301 20 0 BGADLO CCC[N@H+](Cc1nnsc1Cl)CC(C)C ZINC000309120157 259342359 /nfs/dbraw/zinc/34/23/59/259342359.db2.gz SWCMFOGBKXAEBN-UHFFFAOYSA-N 1 2 247.795 3.060 20 0 BGADLO CCC[N@@H+](Cc1nnsc1Cl)CC(C)C ZINC000309120157 259342357 /nfs/dbraw/zinc/34/23/57/259342357.db2.gz SWCMFOGBKXAEBN-UHFFFAOYSA-N 1 2 247.795 3.060 20 0 BGADLO C[C@H]1CCCC[C@H]1Nc1cc[nH+]cc1F ZINC000309125771 491145288 /nfs/dbraw/zinc/14/52/88/491145288.db2.gz PLSQKDKLZZOOOR-GXSJLCMTSA-N 1 2 208.280 3.211 20 0 BGADLO C[C@@H]1CCCC[C@@H]1Nc1cc[nH+]cc1F ZINC000309125772 491145293 /nfs/dbraw/zinc/14/52/93/491145293.db2.gz PLSQKDKLZZOOOR-KOLCDFICSA-N 1 2 208.280 3.211 20 0 BGADLO C[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1F ZINC000309125773 491145282 /nfs/dbraw/zinc/14/52/82/491145282.db2.gz PLSQKDKLZZOOOR-MWLCHTKSSA-N 1 2 208.280 3.211 20 0 BGADLO C[C@H]1CCCC[C@@H]1Nc1cc[nH+]cc1F ZINC000309125774 491052504 /nfs/dbraw/zinc/05/25/04/491052504.db2.gz PLSQKDKLZZOOOR-ONGXEEELSA-N 1 2 208.280 3.211 20 0 BGADLO C[C@@H]1CC(C)(C)CC[C@H]1Nc1c[nH]c[nH+]1 ZINC000309132726 350081240 /nfs/dbraw/zinc/08/12/40/350081240.db2.gz RITBFKUEXLOURA-NXEZZACHSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@H]1CC(C)(C)CC[C@@H]1Nc1c[nH]c[nH+]1 ZINC000309132727 350081342 /nfs/dbraw/zinc/08/13/42/350081342.db2.gz RITBFKUEXLOURA-UWVGGRQHSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@H]1CC(C)(C)CC[C@H]1Nc1c[nH]c[nH+]1 ZINC000309132729 350081221 /nfs/dbraw/zinc/08/12/21/350081221.db2.gz RITBFKUEXLOURA-VHSXEESVSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@@H]1CC(C)(C)CC[C@@H]1Nc1c[nH]c[nH+]1 ZINC000309132730 350081396 /nfs/dbraw/zinc/08/13/96/350081396.db2.gz RITBFKUEXLOURA-ZJUUUORDSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1cscn1 ZINC000309132733 346969807 /nfs/dbraw/zinc/96/98/07/346969807.db2.gz RIWOBTUZBCKSGN-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(Cl)o1)c1cscn1 ZINC000309132734 350081416 /nfs/dbraw/zinc/08/14/16/350081416.db2.gz RIWOBTUZBCKSGN-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@@H]1C[C@@H](Nc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC000309134652 350079662 /nfs/dbraw/zinc/07/96/62/350079662.db2.gz RWFKNAHKPMVQTD-NXEZZACHSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@H]1C[C@H](Nc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC000309134655 350079421 /nfs/dbraw/zinc/07/94/21/350079421.db2.gz RWFKNAHKPMVQTD-UWVGGRQHSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@H]1C[C@@H](Nc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC000309134657 350079676 /nfs/dbraw/zinc/07/96/76/350079676.db2.gz RWFKNAHKPMVQTD-VHSXEESVSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@@H]1C[C@H](Nc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC000309134658 350079769 /nfs/dbraw/zinc/07/97/69/350079769.db2.gz RWFKNAHKPMVQTD-ZJUUUORDSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@@H]1CCC[C@@H]1[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309136819 385102823 /nfs/dbraw/zinc/10/28/23/385102823.db2.gz SFBHUJKPTRKCCG-FKTZTGRPSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H]1CCC[C@@H]1[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309136820 385103282 /nfs/dbraw/zinc/10/32/82/385103282.db2.gz SFBHUJKPTRKCCG-JEZHCXPESA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H]1CCC[C@H]1[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309136821 533894978 /nfs/dbraw/zinc/89/49/78/533894978.db2.gz SFBHUJKPTRKCCG-QNSHHTMESA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H]1CCC[C@H]1[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309136822 533894514 /nfs/dbraw/zinc/89/45/14/533894514.db2.gz SFBHUJKPTRKCCG-SZEHBUNVSA-N 1 2 221.266 3.106 20 0 BGADLO Cc1ccccc1C[NH2+]C(C)(C)C(F)F ZINC000309142164 491145507 /nfs/dbraw/zinc/14/55/07/491145507.db2.gz HLTZSPDWXUNLNF-UHFFFAOYSA-N 1 2 213.271 3.128 20 0 BGADLO C[C@@H]([NH2+]Cc1sccc1Cl)c1ccon1 ZINC000309142885 385434765 /nfs/dbraw/zinc/43/47/65/385434765.db2.gz UEPPKPUXPDFSNK-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H]([NH2+]Cc1sccc1Cl)c1ccon1 ZINC000309142887 385434533 /nfs/dbraw/zinc/43/45/33/385434533.db2.gz UEPPKPUXPDFSNK-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@@H]([NH2+]Cc1ccsc1Cl)c1ccon1 ZINC000309147662 385437648 /nfs/dbraw/zinc/43/76/48/385437648.db2.gz VPQGIUVCXGUGHU-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H]([NH2+]Cc1ccsc1Cl)c1ccon1 ZINC000309147663 385440105 /nfs/dbraw/zinc/44/01/05/385440105.db2.gz VPQGIUVCXGUGHU-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)[C@H]2CC2(C)C)c1 ZINC000309148922 385439947 /nfs/dbraw/zinc/43/99/47/385439947.db2.gz VYKZPGSKEIHESD-CMPLNLGQSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)[C@@H]2CC2(C)C)c1 ZINC000309148923 385439305 /nfs/dbraw/zinc/43/93/05/385439305.db2.gz VYKZPGSKEIHESD-JQWIXIFHSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)[C@@H]2CC2(C)C)c1 ZINC000309148924 385108910 /nfs/dbraw/zinc/10/89/10/385108910.db2.gz VYKZPGSKEIHESD-PWSUYJOCSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)[C@H]2CC2(C)C)c1 ZINC000309148925 385109256 /nfs/dbraw/zinc/10/92/56/385109256.db2.gz VYKZPGSKEIHESD-ZYHUDNBSSA-N 1 2 204.317 3.237 20 0 BGADLO C[C@@H](Nc1ccc(Cl)cc1)c1[nH]cc[nH+]1 ZINC000309154929 491145728 /nfs/dbraw/zinc/14/57/28/491145728.db2.gz XFDDBLKTVVAJLO-MRVPVSSYSA-N 1 2 221.691 3.236 20 0 BGADLO C[C@H](Nc1ccc(Cl)cc1)c1[nH]cc[nH+]1 ZINC000309154932 491145740 /nfs/dbraw/zinc/14/57/40/491145740.db2.gz XFDDBLKTVVAJLO-QMMMGPOBSA-N 1 2 221.691 3.236 20 0 BGADLO CC1(C)CCC(CNc2c[nH]c[nH+]2)CC1 ZINC000309156569 323320753 /nfs/dbraw/zinc/32/07/53/323320753.db2.gz XPKOEUCSALRVEU-UHFFFAOYSA-N 1 2 207.321 3.038 20 0 BGADLO CCC1CC(Nc2ccc(SC)c[nH+]2)C1 ZINC000309164129 385444730 /nfs/dbraw/zinc/44/47/30/385444730.db2.gz IEZJJENVJAXQDZ-UHFFFAOYSA-N 1 2 222.357 3.404 20 0 BGADLO CC[C@H]1CC[C@@H]1Nc1ccc(C)[nH+]c1C ZINC000309165624 385446942 /nfs/dbraw/zinc/44/69/42/385446942.db2.gz IWHVXYTVYSUDJN-AAEUAGOBSA-N 1 2 204.317 3.299 20 0 BGADLO CC[C@@H]1CC[C@H]1Nc1ccc(C)[nH+]c1C ZINC000309165625 171061133 /nfs/dbraw/zinc/06/11/33/171061133.db2.gz IWHVXYTVYSUDJN-DGCLKSJQSA-N 1 2 204.317 3.299 20 0 BGADLO CC[C@H]1CC[C@H]1Nc1ccc(C)[nH+]c1C ZINC000309165626 385446146 /nfs/dbraw/zinc/44/61/46/385446146.db2.gz IWHVXYTVYSUDJN-WCQYABFASA-N 1 2 204.317 3.299 20 0 BGADLO CC[C@@H]1CC[C@@H]1Nc1ccc(C)[nH+]c1C ZINC000309165627 171045166 /nfs/dbraw/zinc/04/51/66/171045166.db2.gz IWHVXYTVYSUDJN-YPMHNXCESA-N 1 2 204.317 3.299 20 0 BGADLO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)F ZINC000309168164 323322451 /nfs/dbraw/zinc/32/24/51/323322451.db2.gz JYYBZGHOAPVHPX-NXEZZACHSA-N 1 2 223.282 3.497 20 0 BGADLO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(F)(F)F ZINC000309168165 323322687 /nfs/dbraw/zinc/32/26/87/323322687.db2.gz JYYBZGHOAPVHPX-UWVGGRQHSA-N 1 2 223.282 3.497 20 0 BGADLO CCC[C@H]1CCCC[C@H]1[NH2+]CC(F)(F)F ZINC000309168166 323322657 /nfs/dbraw/zinc/32/26/57/323322657.db2.gz JYYBZGHOAPVHPX-VHSXEESVSA-N 1 2 223.282 3.497 20 0 BGADLO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(F)(F)F ZINC000309168167 323322424 /nfs/dbraw/zinc/32/24/24/323322424.db2.gz JYYBZGHOAPVHPX-ZJUUUORDSA-N 1 2 223.282 3.497 20 0 BGADLO Cc1ccc(NC2CC(C)(C)C2)c(C)[nH+]1 ZINC000309168703 385445999 /nfs/dbraw/zinc/44/59/99/385445999.db2.gz KHIWRDCXIMZPPG-UHFFFAOYSA-N 1 2 204.317 3.299 20 0 BGADLO Cc1ccsc1C[NH2+][C@H]1CCCC1(F)F ZINC000309169113 491145784 /nfs/dbraw/zinc/14/57/84/491145784.db2.gz KMJHWKVTZDEDHO-JTQLQIEISA-N 1 2 231.311 3.334 20 0 BGADLO Cc1ccsc1C[NH2+][C@@H]1CCCC1(F)F ZINC000309169114 491145802 /nfs/dbraw/zinc/14/58/02/491145802.db2.gz KMJHWKVTZDEDHO-SNVBAGLBSA-N 1 2 231.311 3.334 20 0 BGADLO CCCC[C@@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309173664 385163599 /nfs/dbraw/zinc/16/35/99/385163599.db2.gz LZLZWIKFNRHWKQ-PSASIEDQSA-N 1 2 223.282 3.496 20 0 BGADLO CCCC[C@@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309173667 385162689 /nfs/dbraw/zinc/16/26/89/385162689.db2.gz LZLZWIKFNRHWKQ-SCZZXKLOSA-N 1 2 223.282 3.496 20 0 BGADLO CCCC[C@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309173669 385162238 /nfs/dbraw/zinc/16/22/38/385162238.db2.gz LZLZWIKFNRHWKQ-WCBMZHEXSA-N 1 2 223.282 3.496 20 0 BGADLO CCCC[C@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309173670 385163681 /nfs/dbraw/zinc/16/36/81/385163681.db2.gz LZLZWIKFNRHWKQ-WPRPVWTQSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@@H]([NH2+][C@H](C1CC1)C(F)(F)F)C1CC1 ZINC000309180766 322898710 /nfs/dbraw/zinc/89/87/10/322898710.db2.gz NTACKTOTIOQBIJ-NXEZZACHSA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H](C1CC1)C(F)(F)F)C1CC1 ZINC000309180768 385171205 /nfs/dbraw/zinc/17/12/05/385171205.db2.gz NTACKTOTIOQBIJ-UWVGGRQHSA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)C1CC1 ZINC000309180769 385169030 /nfs/dbraw/zinc/16/90/30/385169030.db2.gz NTACKTOTIOQBIJ-VHSXEESVSA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C1CC1)C(F)(F)F)C1CC1 ZINC000309180770 385170543 /nfs/dbraw/zinc/17/05/43/385170543.db2.gz NTACKTOTIOQBIJ-ZJUUUORDSA-N 1 2 221.266 3.106 20 0 BGADLO Cc1cc(C[NH2+]C(C)(C)C(F)F)c(C)s1 ZINC000309184391 491145964 /nfs/dbraw/zinc/14/59/64/491145964.db2.gz OKTHUELSROAQSS-UHFFFAOYSA-N 1 2 233.327 3.498 20 0 BGADLO CCC1CC(Nc2ccc(C)[nH+]c2C)C1 ZINC000309185811 385450194 /nfs/dbraw/zinc/45/01/94/385450194.db2.gz OTPIQHQTRBLNSN-UHFFFAOYSA-N 1 2 204.317 3.299 20 0 BGADLO CCSCC[NH2+]CC(F)(F)c1ccccc1 ZINC000309206947 385481704 /nfs/dbraw/zinc/48/17/04/385481704.db2.gz MTMDZQYOUQKUCQ-UHFFFAOYSA-N 1 2 245.338 3.121 20 0 BGADLO CC[C@H]1CC[C@H]1[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309217600 259311730 /nfs/dbraw/zinc/31/17/30/259311730.db2.gz UPYFZWVAHJKCOY-AEJSXWLSSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309217601 259311719 /nfs/dbraw/zinc/31/17/19/259311719.db2.gz UPYFZWVAHJKCOY-BBBLOLIVSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]1CC[C@@H]1[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309217602 259311696 /nfs/dbraw/zinc/31/16/96/259311696.db2.gz UPYFZWVAHJKCOY-GUBZILKMSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000309217603 259311616 /nfs/dbraw/zinc/31/16/16/259311616.db2.gz UPYFZWVAHJKCOY-UTLUCORTSA-N 1 2 223.282 3.352 20 0 BGADLO Cc1ccc(C[NH2+][C@H]2CCCC2(F)F)s1 ZINC000309221691 491146309 /nfs/dbraw/zinc/14/63/09/491146309.db2.gz VIQWELBYAKEYEQ-JTQLQIEISA-N 1 2 231.311 3.334 20 0 BGADLO Cc1ccc(C[NH2+][C@@H]2CCCC2(F)F)s1 ZINC000309221692 491146325 /nfs/dbraw/zinc/14/63/25/491146325.db2.gz VIQWELBYAKEYEQ-SNVBAGLBSA-N 1 2 231.311 3.334 20 0 BGADLO Cc1cc(NCCCC(C)(C)C)nc[nH+]1 ZINC000309237586 350216334 /nfs/dbraw/zinc/21/63/34/350216334.db2.gz XVOJFWRXNDECQP-UHFFFAOYSA-N 1 2 207.321 3.023 20 0 BGADLO CCc1cc(NC(C)(C)C(C)(C)C)nc[nH+]1 ZINC000309261198 410690850 /nfs/dbraw/zinc/69/08/50/410690850.db2.gz BIAIWZSEHPZWQL-UHFFFAOYSA-N 1 2 221.348 3.276 20 0 BGADLO CCc1cc(N)nc(SCCCC(C)C)[nH+]1 ZINC000309287056 383832513 /nfs/dbraw/zinc/83/25/13/383832513.db2.gz OYRRHFOWXOJPBG-UHFFFAOYSA-N 1 2 239.388 3.150 20 0 BGADLO FCCCCNc1ccc2ccccc2[nH+]1 ZINC000309288744 180928740 /nfs/dbraw/zinc/92/87/40/180928740.db2.gz VFPHVQXHUTXUCM-UHFFFAOYSA-N 1 2 218.275 3.396 20 0 BGADLO CC/C=C/CCSc1nc(N)cc(CC)[nH+]1 ZINC000309300224 259312303 /nfs/dbraw/zinc/31/23/03/259312303.db2.gz SXEQAZKRBPIPHP-AATRIKPKSA-N 1 2 237.372 3.070 20 0 BGADLO CC/C=C\CCSc1nc(N)cc(CC)[nH+]1 ZINC000309300225 259312120 /nfs/dbraw/zinc/31/21/20/259312120.db2.gz SXEQAZKRBPIPHP-WAYWQWQTSA-N 1 2 237.372 3.070 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1CCC12CCC2)C(F)(F)F ZINC000309305821 187308100 /nfs/dbraw/zinc/30/81/00/187308100.db2.gz ASFZWEBLRFVCPA-UWVGGRQHSA-N 1 2 235.293 3.496 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1CCC12CCC2)C(F)(F)F ZINC000309305823 397856833 /nfs/dbraw/zinc/85/68/33/397856833.db2.gz ASFZWEBLRFVCPA-ZJUUUORDSA-N 1 2 235.293 3.496 20 0 BGADLO CCc1cc(N)nc(SCCC(C)(C)C)[nH+]1 ZINC000309306627 383866739 /nfs/dbraw/zinc/86/67/39/383866739.db2.gz VVYQNGPSMDCCID-UHFFFAOYSA-N 1 2 239.388 3.150 20 0 BGADLO CCc1cc(N)nc(SC2CCCCC2)[nH+]1 ZINC000309310321 383869893 /nfs/dbraw/zinc/86/98/93/383869893.db2.gz WVEFAEIAEIWMLS-UHFFFAOYSA-N 1 2 237.372 3.046 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C(F)(F)F ZINC000309310839 491147383 /nfs/dbraw/zinc/14/73/83/491147383.db2.gz BUNMHLJJNAPRDR-AXFHLTTASA-N 1 2 235.293 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C(F)(F)F ZINC000309310841 491147378 /nfs/dbraw/zinc/14/73/78/491147378.db2.gz BUNMHLJJNAPRDR-DCAQKATOSA-N 1 2 235.293 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C(F)(F)F ZINC000309310844 491147415 /nfs/dbraw/zinc/14/74/15/491147415.db2.gz BUNMHLJJNAPRDR-MXWKQRLJSA-N 1 2 235.293 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C(F)(F)F ZINC000309310846 491147406 /nfs/dbraw/zinc/14/74/06/491147406.db2.gz BUNMHLJJNAPRDR-VWYCJHECSA-N 1 2 235.293 3.352 20 0 BGADLO c1csc(CNc2cc3cc[nH]c3c[nH+]2)c1 ZINC000309310859 491146663 /nfs/dbraw/zinc/14/66/63/491146663.db2.gz BUZFOHGKSFFKRP-UHFFFAOYSA-N 1 2 229.308 3.237 20 0 BGADLO Cc1ccc(N[C@H]2CS[C@@H](C(C)C)C2)c[nH+]1 ZINC000309316991 385528470 /nfs/dbraw/zinc/52/84/70/385528470.db2.gz DINIIBNTJHAXRM-CHWSQXEVSA-N 1 2 236.384 3.332 20 0 BGADLO Cc1ccc(N[C@H]2CS[C@H](C(C)C)C2)c[nH+]1 ZINC000309316993 385529498 /nfs/dbraw/zinc/52/94/98/385529498.db2.gz DINIIBNTJHAXRM-OLZOCXBDSA-N 1 2 236.384 3.332 20 0 BGADLO Cc1ccc(N[C@@H]2CS[C@@H](C(C)C)C2)c[nH+]1 ZINC000309316995 385529701 /nfs/dbraw/zinc/52/97/01/385529701.db2.gz DINIIBNTJHAXRM-QWHCGFSZSA-N 1 2 236.384 3.332 20 0 BGADLO Cc1ccc(N[C@@H]2CS[C@H](C(C)C)C2)c[nH+]1 ZINC000309316998 385529428 /nfs/dbraw/zinc/52/94/28/385529428.db2.gz DINIIBNTJHAXRM-STQMWFEESA-N 1 2 236.384 3.332 20 0 BGADLO CC(C)c1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000309330185 323342560 /nfs/dbraw/zinc/34/25/60/323342560.db2.gz HPBBROBHCANHIJ-UHFFFAOYSA-N 1 2 215.300 3.145 20 0 BGADLO CC(C)([NH2+]C/C=C/c1ccccc1)C(F)F ZINC000309333576 491147971 /nfs/dbraw/zinc/14/79/71/491147971.db2.gz IJKXLXXOOCWONJ-RMKNXTFCSA-N 1 2 225.282 3.333 20 0 BGADLO CC(C)([NH2+]C/C=C\c1ccccc1)C(F)F ZINC000309333577 491148003 /nfs/dbraw/zinc/14/80/03/491148003.db2.gz IJKXLXXOOCWONJ-TWGQIWQCSA-N 1 2 225.282 3.333 20 0 BGADLO CC(C)[C@@H]1CC[C@H](Nc2c[nH]c[nH+]2)C[C@@H]1C ZINC000309334541 323343898 /nfs/dbraw/zinc/34/38/98/323343898.db2.gz AFZXDXRBMLITSO-SRVKXCTJSA-N 1 2 221.348 3.282 20 0 BGADLO CC(C)[C@@H]1CC[C@@H](Nc2c[nH]c[nH+]2)C[C@@H]1C ZINC000309334542 323343877 /nfs/dbraw/zinc/34/38/77/323343877.db2.gz AFZXDXRBMLITSO-TUAOUCFPSA-N 1 2 221.348 3.282 20 0 BGADLO CC(C)[C@@H]1CC[C@@H](Nc2c[nH]c[nH+]2)C[C@H]1C ZINC000309334543 323343962 /nfs/dbraw/zinc/34/39/62/323343962.db2.gz AFZXDXRBMLITSO-UTUOFQBUSA-N 1 2 221.348 3.282 20 0 BGADLO CC(C)[C@@H]1CC[C@H](Nc2c[nH]c[nH+]2)C[C@H]1C ZINC000309334544 323344180 /nfs/dbraw/zinc/34/41/80/323344180.db2.gz AFZXDXRBMLITSO-WOPDTQHZSA-N 1 2 221.348 3.282 20 0 BGADLO CC(C)(C)CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000309338662 491148084 /nfs/dbraw/zinc/14/80/84/491148084.db2.gz JPULNIVJRCTMQZ-UHFFFAOYSA-N 1 2 221.348 3.232 20 0 BGADLO c1[nH]cc(NCc2cc3ccccc3s2)[nH+]1 ZINC000309343101 347037905 /nfs/dbraw/zinc/03/79/05/347037905.db2.gz KYSIUNAVJAGMEH-UHFFFAOYSA-N 1 2 229.308 3.237 20 0 BGADLO CC(C)CCNc1cc[nH+]c2ccncc12 ZINC000309344319 385541813 /nfs/dbraw/zinc/54/18/13/385541813.db2.gz LGTCNKPDQJMKDQ-UHFFFAOYSA-N 1 2 215.300 3.088 20 0 BGADLO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309357859 491147396 /nfs/dbraw/zinc/14/73/96/491147396.db2.gz OGAWJHCUKZNDBB-AXFHLTTASA-N 1 2 235.293 3.352 20 0 BGADLO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309357861 491147371 /nfs/dbraw/zinc/14/73/71/491147371.db2.gz OGAWJHCUKZNDBB-DCAQKATOSA-N 1 2 235.293 3.352 20 0 BGADLO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309357863 491096147 /nfs/dbraw/zinc/09/61/47/491096147.db2.gz OGAWJHCUKZNDBB-GARJFASQSA-N 1 2 235.293 3.352 20 0 BGADLO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309357867 491147376 /nfs/dbraw/zinc/14/73/76/491147376.db2.gz OGAWJHCUKZNDBB-HBNTYKKESA-N 1 2 235.293 3.352 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CC[C@@H]1C ZINC000309359017 632969745 /nfs/dbraw/zinc/96/97/45/632969745.db2.gz YXWPSALNSUPJGU-GWCFXTLKSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CC[C@@H]1C ZINC000309359017 632969741 /nfs/dbraw/zinc/96/97/41/632969741.db2.gz YXWPSALNSUPJGU-GWCFXTLKSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CC[C@@H]1C ZINC000309359024 632010283 /nfs/dbraw/zinc/01/02/83/632010283.db2.gz YXWPSALNSUPJGU-GXFFZTMASA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[C@@H]1C ZINC000309359024 632010273 /nfs/dbraw/zinc/01/02/73/632010273.db2.gz YXWPSALNSUPJGU-GXFFZTMASA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+][C@H]1CC[C@H]1C ZINC000309359030 632010589 /nfs/dbraw/zinc/01/05/89/632010589.db2.gz YXWPSALNSUPJGU-MFKMUULPSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@H]1CC[C@H]1C ZINC000309359030 632010585 /nfs/dbraw/zinc/01/05/85/632010585.db2.gz YXWPSALNSUPJGU-MFKMUULPSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+][C@@H]1CC[C@H]1C ZINC000309359036 632011431 /nfs/dbraw/zinc/01/14/31/632011431.db2.gz YXWPSALNSUPJGU-ZWNOBZJWSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CC[C@H]1C ZINC000309359036 632011419 /nfs/dbraw/zinc/01/14/19/632011419.db2.gz YXWPSALNSUPJGU-ZWNOBZJWSA-N 1 2 218.344 3.271 20 0 BGADLO C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(F)(F)F ZINC000309371269 383921595 /nfs/dbraw/zinc/92/15/95/383921595.db2.gz CAKTYXDLMHHOBA-GDPRMGEGSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C(F)(F)F ZINC000309371270 383921652 /nfs/dbraw/zinc/92/16/52/383921652.db2.gz CAKTYXDLMHHOBA-INTQDDNPSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(F)(F)F ZINC000309371271 256525110 /nfs/dbraw/zinc/52/51/10/256525110.db2.gz CAKTYXDLMHHOBA-JMJZKYOTSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C(F)(F)F ZINC000309371272 383921760 /nfs/dbraw/zinc/92/17/60/383921760.db2.gz CAKTYXDLMHHOBA-LSJOCFKGSA-N 1 2 235.293 3.496 20 0 BGADLO CC(C)c1nc(NC2(C)CCCC2)cc[nH+]1 ZINC000309388976 385560022 /nfs/dbraw/zinc/56/00/22/385560022.db2.gz TZCKOFOXONUCHI-UHFFFAOYSA-N 1 2 219.332 3.345 20 0 BGADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(N(C)C)c(Cl)c1 ZINC000309391433 632022029 /nfs/dbraw/zinc/02/20/29/632022029.db2.gz FXDGESDIQKOMLR-NXEZZACHSA-N 1 2 238.762 3.474 20 0 BGADLO C[C@H]1C[C@H]1C[NH2+]c1ccc(N(C)C)c(Cl)c1 ZINC000309391435 633006590 /nfs/dbraw/zinc/00/65/90/633006590.db2.gz FXDGESDIQKOMLR-UWVGGRQHSA-N 1 2 238.762 3.474 20 0 BGADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc(N(C)C)c(Cl)c1 ZINC000309391437 633905599 /nfs/dbraw/zinc/90/55/99/633905599.db2.gz FXDGESDIQKOMLR-VHSXEESVSA-N 1 2 238.762 3.474 20 0 BGADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(N(C)C)c(Cl)c1 ZINC000309391439 633006922 /nfs/dbraw/zinc/00/69/22/633006922.db2.gz FXDGESDIQKOMLR-ZJUUUORDSA-N 1 2 238.762 3.474 20 0 BGADLO Cc1nc(C)c([C@@H](C)[NH2+]C2(C(F)F)CC2)s1 ZINC000309398104 385562905 /nfs/dbraw/zinc/56/29/05/385562905.db2.gz GZQPXURXFADJMS-SSDOTTSWSA-N 1 2 246.326 3.208 20 0 BGADLO Cc1nc(C)c([C@H](C)[NH2+]C2(C(F)F)CC2)s1 ZINC000309398106 384021415 /nfs/dbraw/zinc/02/14/15/384021415.db2.gz GZQPXURXFADJMS-ZETCQYMHSA-N 1 2 246.326 3.208 20 0 BGADLO CC(C)(C)c1ccc(CNc2c[nH]c[nH+]2)s1 ZINC000309413653 358447063 /nfs/dbraw/zinc/44/70/63/358447063.db2.gz YIZIFNBOUIQNCZ-UHFFFAOYSA-N 1 2 235.356 3.381 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000309416822 178182396 /nfs/dbraw/zinc/18/23/96/178182396.db2.gz JQJLKPBDCLOYRV-GXSJLCMTSA-N 1 2 219.332 3.119 20 0 BGADLO Cc1cc(N[C@H]2CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000309416823 178191123 /nfs/dbraw/zinc/19/11/23/178191123.db2.gz JQJLKPBDCLOYRV-KOLCDFICSA-N 1 2 219.332 3.119 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000309416824 178183164 /nfs/dbraw/zinc/18/31/64/178183164.db2.gz JQJLKPBDCLOYRV-MWLCHTKSSA-N 1 2 219.332 3.119 20 0 BGADLO Cc1cc(N[C@H]2CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000309416825 178190812 /nfs/dbraw/zinc/19/08/12/178190812.db2.gz JQJLKPBDCLOYRV-ONGXEEELSA-N 1 2 219.332 3.119 20 0 BGADLO C[C@@H]1CC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000309443920 176217866 /nfs/dbraw/zinc/21/78/66/176217866.db2.gz PAESAQSBDYMFJV-APPZFPTMSA-N 1 2 230.233 3.311 20 0 BGADLO C[C@H]1CC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000309443921 177195909 /nfs/dbraw/zinc/19/59/09/177195909.db2.gz PAESAQSBDYMFJV-CBAPKCEASA-N 1 2 230.233 3.311 20 0 BGADLO C[C@H]1CC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000309443922 177207169 /nfs/dbraw/zinc/20/71/69/177207169.db2.gz PAESAQSBDYMFJV-IONNQARKSA-N 1 2 230.233 3.311 20 0 BGADLO C[C@@H]1CC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000309443923 176237759 /nfs/dbraw/zinc/23/77/59/176237759.db2.gz PAESAQSBDYMFJV-VXNVDRBHSA-N 1 2 230.233 3.311 20 0 BGADLO Cc1cc[nH+]c(NCCCOC(C)C)c1Cl ZINC000309452367 385584993 /nfs/dbraw/zinc/58/49/93/385584993.db2.gz MVZYMVIBKRWODW-UHFFFAOYSA-N 1 2 242.750 3.270 20 0 BGADLO C[C@H]1CC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000309455474 177207467 /nfs/dbraw/zinc/20/74/67/177207467.db2.gz SGSIPLDYBAQLEV-CMPLNLGQSA-N 1 2 212.296 3.445 20 0 BGADLO C[C@H]1CC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000309455475 177195885 /nfs/dbraw/zinc/19/58/85/177195885.db2.gz SGSIPLDYBAQLEV-JQWIXIFHSA-N 1 2 212.296 3.445 20 0 BGADLO C[C@@H]1CC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000309455477 176217451 /nfs/dbraw/zinc/21/74/51/176217451.db2.gz SGSIPLDYBAQLEV-PWSUYJOCSA-N 1 2 212.296 3.445 20 0 BGADLO C[C@@H]1CC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000309455479 176237645 /nfs/dbraw/zinc/23/76/45/176237645.db2.gz SGSIPLDYBAQLEV-ZYHUDNBSSA-N 1 2 212.296 3.445 20 0 BGADLO CCc1cc(NCCCC(C)(C)C)nc[nH+]1 ZINC000309463559 347069388 /nfs/dbraw/zinc/06/93/88/347069388.db2.gz OPDPXXCZWBAVPD-UHFFFAOYSA-N 1 2 221.348 3.277 20 0 BGADLO CC1CCC([NH2+][C@H](C2CC2)C(F)(F)F)CC1 ZINC000309465569 384091206 /nfs/dbraw/zinc/09/12/06/384091206.db2.gz PVKTYEUUBPDDME-BOBPJJCASA-N 1 2 235.293 3.496 20 0 BGADLO CC1CCC([NH2+][C@@H](C2CC2)C(F)(F)F)CC1 ZINC000309465571 384091713 /nfs/dbraw/zinc/09/17/13/384091713.db2.gz PVKTYEUUBPDDME-RFBVYIQQSA-N 1 2 235.293 3.496 20 0 BGADLO CCC[C@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000309484427 491149547 /nfs/dbraw/zinc/14/95/47/491149547.db2.gz UWORPSBLQJQJSF-JTQLQIEISA-N 1 2 221.348 3.375 20 0 BGADLO CCC[C@@H](C)Nc1cc[nH+]c(C(C)(C)C)n1 ZINC000309484428 491149504 /nfs/dbraw/zinc/14/95/04/491149504.db2.gz UWORPSBLQJQJSF-SNVBAGLBSA-N 1 2 221.348 3.375 20 0 BGADLO CO[C@@H](CNc1[nH+]ccc(C)c1Cl)C(C)C ZINC000309502867 385640967 /nfs/dbraw/zinc/64/09/67/385640967.db2.gz BIJFOOSRNWEKAF-JTQLQIEISA-N 1 2 242.750 3.126 20 0 BGADLO CO[C@H](CNc1[nH+]ccc(C)c1Cl)C(C)C ZINC000309503113 385640582 /nfs/dbraw/zinc/64/05/82/385640582.db2.gz BIJFOOSRNWEKAF-SNVBAGLBSA-N 1 2 242.750 3.126 20 0 BGADLO Fc1ccc(C2([NH2+]CC(F)F)CCC2)cc1 ZINC000309527792 350701750 /nfs/dbraw/zinc/70/17/50/350701750.db2.gz CLTZFWOSVFUWAL-UHFFFAOYSA-N 1 2 229.245 3.060 20 0 BGADLO CC(C)CNc1[nH+]ccc2ccc(F)cc21 ZINC000309530808 167018097 /nfs/dbraw/zinc/01/80/97/167018097.db2.gz BTURJKWPCFXTOG-UHFFFAOYSA-N 1 2 218.275 3.442 20 0 BGADLO C[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@H]1CC1(C)C ZINC000309536950 388456702 /nfs/dbraw/zinc/45/67/02/388456702.db2.gz FENRJPYXECKYQY-FXBDTBDDSA-N 1 2 235.293 3.352 20 0 BGADLO C[C@H]([NH2+][C@@H](C1CC1)C(F)(F)F)[C@@H]1CC1(C)C ZINC000309536951 388456938 /nfs/dbraw/zinc/45/69/38/388456938.db2.gz FENRJPYXECKYQY-HGNGGELXSA-N 1 2 235.293 3.352 20 0 BGADLO C[C@H]([NH2+][C@@H](C1CC1)C(F)(F)F)[C@H]1CC1(C)C ZINC000309536952 388456830 /nfs/dbraw/zinc/45/68/30/388456830.db2.gz FENRJPYXECKYQY-SFGNSQDASA-N 1 2 235.293 3.352 20 0 BGADLO C[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@@H]1CC1(C)C ZINC000309536953 388456817 /nfs/dbraw/zinc/45/68/17/388456817.db2.gz FENRJPYXECKYQY-UJNFCWOMSA-N 1 2 235.293 3.352 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C1CC1 ZINC000309546930 491151041 /nfs/dbraw/zinc/15/10/41/491151041.db2.gz DSGXWJWOOZUHKR-GARJFASQSA-N 1 2 233.277 3.106 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C1CC1 ZINC000309546931 491151039 /nfs/dbraw/zinc/15/10/39/491151039.db2.gz DSGXWJWOOZUHKR-GMTAPVOTSA-N 1 2 233.277 3.106 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C1CC1 ZINC000309546932 491151033 /nfs/dbraw/zinc/15/10/33/491151033.db2.gz DSGXWJWOOZUHKR-HBNTYKKESA-N 1 2 233.277 3.106 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C1CC1 ZINC000309546933 491151029 /nfs/dbraw/zinc/15/10/29/491151029.db2.gz DSGXWJWOOZUHKR-OUAUKWLOSA-N 1 2 233.277 3.106 20 0 BGADLO FC1(F)CCC(CNc2cccc[nH+]2)CC1 ZINC000309549826 385688748 /nfs/dbraw/zinc/68/87/48/385688748.db2.gz FLIVEOYYENUUJP-UHFFFAOYSA-N 1 2 226.270 3.319 20 0 BGADLO Fc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000309549828 491151192 /nfs/dbraw/zinc/15/11/92/491151192.db2.gz FLJHJIBUJFLRLD-LLVKDONJSA-N 1 2 229.245 3.103 20 0 BGADLO Fc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000309549831 491151154 /nfs/dbraw/zinc/15/11/54/491151154.db2.gz FLJHJIBUJFLRLD-NSHDSACASA-N 1 2 229.245 3.103 20 0 BGADLO Cc1cc(NCC2(C)CC2)ccc1[NH+](C)C ZINC000309551964 636002652 /nfs/dbraw/zinc/00/26/52/636002652.db2.gz ILUOJHVTJIEYHP-UHFFFAOYSA-N 1 2 218.344 3.273 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)o1 ZINC000309556986 491151373 /nfs/dbraw/zinc/15/13/73/491151373.db2.gz JYKBTGZDGQDIBK-GXSJLCMTSA-N 1 2 229.270 3.426 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)o1 ZINC000309556988 491151382 /nfs/dbraw/zinc/15/13/82/491151382.db2.gz JYKBTGZDGQDIBK-KOLCDFICSA-N 1 2 229.270 3.426 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)o1 ZINC000309556990 491151355 /nfs/dbraw/zinc/15/13/55/491151355.db2.gz JYKBTGZDGQDIBK-MWLCHTKSSA-N 1 2 229.270 3.426 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC2(F)F)o1 ZINC000309556993 491151414 /nfs/dbraw/zinc/15/14/14/491151414.db2.gz JYKBTGZDGQDIBK-ONGXEEELSA-N 1 2 229.270 3.426 20 0 BGADLO CC(C)c1nc(NCCC(C)(C)C)cc[nH+]1 ZINC000309557704 385688148 /nfs/dbraw/zinc/68/81/48/385688148.db2.gz KDNUOMFXAWAXKD-UHFFFAOYSA-N 1 2 221.348 3.448 20 0 BGADLO C[C@@H]([NH2+]C1(C(F)F)CC1)c1cccc(F)c1 ZINC000309559182 385691508 /nfs/dbraw/zinc/69/15/08/385691508.db2.gz KMCGEEUDUWTARE-MRVPVSSYSA-N 1 2 229.245 3.274 20 0 BGADLO C[C@H]([NH2+]C1(C(F)F)CC1)c1cccc(F)c1 ZINC000309559183 385691942 /nfs/dbraw/zinc/69/19/42/385691942.db2.gz KMCGEEUDUWTARE-QMMMGPOBSA-N 1 2 229.245 3.274 20 0 BGADLO FC(F)C1CCC(Nc2cccc[nH+]2)CC1 ZINC000309560799 385691770 /nfs/dbraw/zinc/69/17/70/385691770.db2.gz JGEZSNITMMCEAE-UHFFFAOYSA-N 1 2 226.270 3.317 20 0 BGADLO CC(C)c1nc(NC[C@@H]2CC2(C)C)cc[nH+]1 ZINC000309565389 385694661 /nfs/dbraw/zinc/69/46/61/385694661.db2.gz MBGKOAHTQYCEOK-JTQLQIEISA-N 1 2 219.332 3.058 20 0 BGADLO CC(C)c1nc(NC[C@H]2CC2(C)C)cc[nH+]1 ZINC000309565390 385694968 /nfs/dbraw/zinc/69/49/68/385694968.db2.gz MBGKOAHTQYCEOK-SNVBAGLBSA-N 1 2 219.332 3.058 20 0 BGADLO CC(C)c1cc(NCCF)nc(C(C)C)[nH+]1 ZINC000309570713 385701495 /nfs/dbraw/zinc/70/14/95/385701495.db2.gz NNKIZYNLCVRKCG-UHFFFAOYSA-N 1 2 225.311 3.105 20 0 BGADLO FC(F)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000309572418 491151943 /nfs/dbraw/zinc/15/19/43/491151943.db2.gz NKMBMRHSBYFSMF-GFCCVEGCSA-N 1 2 225.282 3.383 20 0 BGADLO FC(F)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000309572420 491151917 /nfs/dbraw/zinc/15/19/17/491151917.db2.gz NKMBMRHSBYFSMF-LBPRGKRZSA-N 1 2 225.282 3.383 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000309575043 487987172 /nfs/dbraw/zinc/98/71/72/487987172.db2.gz ORFWCYULZFKECN-BDAKNGLRSA-N 1 2 235.356 3.191 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000309575044 487987185 /nfs/dbraw/zinc/98/71/85/487987185.db2.gz ORFWCYULZFKECN-DTWKUNHWSA-N 1 2 235.356 3.191 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000309575045 487987278 /nfs/dbraw/zinc/98/72/78/487987278.db2.gz ORFWCYULZFKECN-IUCAKERBSA-N 1 2 235.356 3.191 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000309575046 487987142 /nfs/dbraw/zinc/98/71/42/487987142.db2.gz ORFWCYULZFKECN-RKDXNWHRSA-N 1 2 235.356 3.191 20 0 BGADLO COC1(CNc2[nH+]ccc(C)c2Cl)CCC1 ZINC000309576052 174005911 /nfs/dbraw/zinc/00/59/11/174005911.db2.gz OYKKPNIHENTUBE-UHFFFAOYSA-N 1 2 240.734 3.024 20 0 BGADLO CC(C)c1nc(NCC2CCCC2)cc[nH+]1 ZINC000309584428 385715323 /nfs/dbraw/zinc/71/53/23/385715323.db2.gz RIYVTHDQFDHROP-UHFFFAOYSA-N 1 2 219.332 3.202 20 0 BGADLO FC(F)(F)c1ccc(CNc2c[nH]c[nH+]2)s1 ZINC000309585485 342714925 /nfs/dbraw/zinc/71/49/25/342714925.db2.gz SBUYBZFLCLGZHZ-UHFFFAOYSA-N 1 2 247.245 3.102 20 0 BGADLO C[C@H](CNc1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC000309587844 342716322 /nfs/dbraw/zinc/71/63/22/342716322.db2.gz SQUOWGIVAACFEH-SECBINFHSA-N 1 2 235.718 3.279 20 0 BGADLO C[C@@H](CNc1c[nH]c[nH+]1)c1cccc(Cl)c1 ZINC000309587845 342716302 /nfs/dbraw/zinc/71/63/02/342716302.db2.gz SQUOWGIVAACFEH-VIFPVBQESA-N 1 2 235.718 3.279 20 0 BGADLO CC(C)c1nc(N[C@H]2CCC2(C)C)cc[nH+]1 ZINC000309591613 385720870 /nfs/dbraw/zinc/72/08/70/385720870.db2.gz UYMJGHNUEVXXBG-JTQLQIEISA-N 1 2 219.332 3.201 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCC2(C)C)cc[nH+]1 ZINC000309591615 385720829 /nfs/dbraw/zinc/72/08/29/385720829.db2.gz UYMJGHNUEVXXBG-SNVBAGLBSA-N 1 2 219.332 3.201 20 0 BGADLO FC(F)(F)[C@H]([NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000309591866 388458233 /nfs/dbraw/zinc/45/82/33/388458233.db2.gz SJBWGWOFIIKRIY-GXSJLCMTSA-N 1 2 233.277 3.273 20 0 BGADLO FC(F)(F)[C@@H]([NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000309591869 388458344 /nfs/dbraw/zinc/45/83/44/388458344.db2.gz SJBWGWOFIIKRIY-KOLCDFICSA-N 1 2 233.277 3.273 20 0 BGADLO FC(F)(F)[C@H]([NH2+]C[C@@H]1CC=CCC1)C1CC1 ZINC000309591871 388457957 /nfs/dbraw/zinc/45/79/57/388457957.db2.gz SJBWGWOFIIKRIY-MWLCHTKSSA-N 1 2 233.277 3.273 20 0 BGADLO FC(F)(F)[C@@H]([NH2+]C[C@H]1CC=CCC1)C1CC1 ZINC000309591874 518195899 /nfs/dbraw/zinc/19/58/99/518195899.db2.gz SJBWGWOFIIKRIY-ONGXEEELSA-N 1 2 233.277 3.273 20 0 BGADLO c1c[nH+]c(CNc2cccc3ccsc32)[nH]1 ZINC000309592004 183359352 /nfs/dbraw/zinc/35/93/52/183359352.db2.gz HARXOCYNNMZJPW-UHFFFAOYSA-N 1 2 229.308 3.237 20 0 BGADLO CC(C)[C@@H]([NH2+]CC(F)F)c1ccc(F)cc1 ZINC000309593516 342729204 /nfs/dbraw/zinc/72/92/04/342729204.db2.gz HQQOFFXRAPBAQY-GFCCVEGCSA-N 1 2 231.261 3.378 20 0 BGADLO CC(C)[C@H]([NH2+]CC(F)F)c1ccc(F)cc1 ZINC000309593517 342729226 /nfs/dbraw/zinc/72/92/26/342729226.db2.gz HQQOFFXRAPBAQY-LBPRGKRZSA-N 1 2 231.261 3.378 20 0 BGADLO FC(F)(F)C1(CNc2cccc[nH+]2)CCC1 ZINC000309596146 385725046 /nfs/dbraw/zinc/72/50/46/385725046.db2.gz URWXJSXXDROGKT-UHFFFAOYSA-N 1 2 230.233 3.226 20 0 BGADLO CC(C)c1nc(NCCC2(C)CC2)cc[nH+]1 ZINC000309598161 384614835 /nfs/dbraw/zinc/61/48/35/384614835.db2.gz WUCXLVNOCMIARL-UHFFFAOYSA-N 1 2 219.332 3.202 20 0 BGADLO Cc1nc(NCCCCC(C)(C)C)cc[nH+]1 ZINC000309615980 180197767 /nfs/dbraw/zinc/19/77/67/180197767.db2.gz BTFRLVHBOIGJMR-UHFFFAOYSA-N 1 2 221.348 3.413 20 0 BGADLO Cc1cccc(C[NH2+]C(C)(C)C(F)F)c1C ZINC000309616084 491152577 /nfs/dbraw/zinc/15/25/77/491152577.db2.gz BTYILBMOHZMAPG-UHFFFAOYSA-N 1 2 227.298 3.437 20 0 BGADLO Cc1cc(C[NH2+]C2(C(F)F)CC2)ccc1F ZINC000309618421 178018820 /nfs/dbraw/zinc/01/88/20/178018820.db2.gz CLDWBSKLCKXXEC-UHFFFAOYSA-N 1 2 229.245 3.021 20 0 BGADLO CC(C)=CCNc1cc[nH+]c2ccncc12 ZINC000309619284 384659722 /nfs/dbraw/zinc/65/97/22/384659722.db2.gz ORERNFIAWFVPCQ-UHFFFAOYSA-N 1 2 213.284 3.008 20 0 BGADLO Cc1nc(C)c(C[NH2+][C@H]2CCCC2(F)F)s1 ZINC000309622997 632587272 /nfs/dbraw/zinc/58/72/72/632587272.db2.gz FABWYCMZVYOZAM-JTQLQIEISA-N 1 2 246.326 3.037 20 0 BGADLO Cc1nc(C)c(C[NH2+][C@@H]2CCCC2(F)F)s1 ZINC000309622998 632586704 /nfs/dbraw/zinc/58/67/04/632586704.db2.gz FABWYCMZVYOZAM-SNVBAGLBSA-N 1 2 246.326 3.037 20 0 BGADLO CC=Cc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000309632745 187310313 /nfs/dbraw/zinc/31/03/13/187310313.db2.gz RLTUTDKSQQXGFS-IHWYPQMZSA-N 1 2 213.284 3.055 20 0 BGADLO C/C=C\c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000309632745 187310312 /nfs/dbraw/zinc/31/03/12/187310312.db2.gz RLTUTDKSQQXGFS-IHWYPQMZSA-N 1 2 213.284 3.055 20 0 BGADLO CC=Cc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000309632746 187309812 /nfs/dbraw/zinc/30/98/12/187309812.db2.gz RLTUTDKSQQXGFS-NSCUHMNNSA-N 1 2 213.284 3.055 20 0 BGADLO C/C=C/c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000309632746 187309810 /nfs/dbraw/zinc/30/98/10/187309810.db2.gz RLTUTDKSQQXGFS-NSCUHMNNSA-N 1 2 213.284 3.055 20 0 BGADLO CC(C)C[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000309639564 385762709 /nfs/dbraw/zinc/76/27/09/385762709.db2.gz UFTRUVMGWISEIY-LLVKDONJSA-N 1 2 221.348 3.447 20 0 BGADLO CC(C)C[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000309639566 385763176 /nfs/dbraw/zinc/76/31/76/385763176.db2.gz UFTRUVMGWISEIY-NSHDSACASA-N 1 2 221.348 3.447 20 0 BGADLO FC(F)(F)c1cscc1CNc1c[nH]c[nH+]1 ZINC000309643241 342775001 /nfs/dbraw/zinc/77/50/01/342775001.db2.gz PIZYJPVIMMYMII-UHFFFAOYSA-N 1 2 247.245 3.102 20 0 BGADLO C[C@H](Nc1c[nH+]c2c(c1)CCCC2)C1CC1 ZINC000309644125 384189609 /nfs/dbraw/zinc/18/96/09/384189609.db2.gz VMIUTUMDSJIAKX-JTQLQIEISA-N 1 2 216.328 3.171 20 0 BGADLO C[C@@H](Nc1c[nH+]c2c(c1)CCCC2)C1CC1 ZINC000309644126 384189825 /nfs/dbraw/zinc/18/98/25/384189825.db2.gz VMIUTUMDSJIAKX-SNVBAGLBSA-N 1 2 216.328 3.171 20 0 BGADLO CCc1ccc(C[NH2+]Cc2ccc(Cl)o2)o1 ZINC000309646062 491153491 /nfs/dbraw/zinc/15/34/91/491153491.db2.gz MHKYUWVHQFVCCD-UHFFFAOYSA-N 1 2 239.702 3.378 20 0 BGADLO Cc1cc([NH+](C)C)cc(C)c1NCC(C)C ZINC000309653096 633983472 /nfs/dbraw/zinc/98/34/72/633983472.db2.gz YJOJGNQXVIKZNP-UHFFFAOYSA-N 1 2 220.360 3.437 20 0 BGADLO CC(C)CCCNc1cc[nH+]c(C(C)C)n1 ZINC000309658080 385779143 /nfs/dbraw/zinc/77/91/43/385779143.db2.gz FITQNIMOYCORHS-UHFFFAOYSA-N 1 2 221.348 3.448 20 0 BGADLO C[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000309661149 384194895 /nfs/dbraw/zinc/19/48/95/384194895.db2.gz AWZDNDBRHYSFOE-DVVUODLYSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H]1CCC[C@@H]([NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000309661153 384194300 /nfs/dbraw/zinc/19/43/00/384194300.db2.gz AWZDNDBRHYSFOE-FBIMIBRVSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H]1CCC[C@@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000309661157 384193310 /nfs/dbraw/zinc/19/33/10/384193310.db2.gz AWZDNDBRHYSFOE-IEBDPFPHSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000309661162 384194274 /nfs/dbraw/zinc/19/42/74/384194274.db2.gz AWZDNDBRHYSFOE-MIMYLULJSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H](Nc1cc(F)cc(Cl)c1)c1[nH]cc[nH+]1 ZINC000309661905 491154107 /nfs/dbraw/zinc/15/41/07/491154107.db2.gz BAXOMSDQFLDTSV-SSDOTTSWSA-N 1 2 239.681 3.375 20 0 BGADLO C[C@H](Nc1cc(F)cc(Cl)c1)c1[nH]cc[nH+]1 ZINC000309661907 491154069 /nfs/dbraw/zinc/15/40/69/491154069.db2.gz BAXOMSDQFLDTSV-ZETCQYMHSA-N 1 2 239.681 3.375 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CS[C@@H](C(C)C)C2)c1 ZINC000309665285 229458890 /nfs/dbraw/zinc/45/88/90/229458890.db2.gz HNQMQDXYBANZNQ-CHWSQXEVSA-N 1 2 236.384 3.332 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CS[C@H](C(C)C)C2)c1 ZINC000309665286 388460837 /nfs/dbraw/zinc/46/08/37/388460837.db2.gz HNQMQDXYBANZNQ-OLZOCXBDSA-N 1 2 236.384 3.332 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CS[C@@H](C(C)C)C2)c1 ZINC000309665287 388460651 /nfs/dbraw/zinc/46/06/51/388460651.db2.gz HNQMQDXYBANZNQ-QWHCGFSZSA-N 1 2 236.384 3.332 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CS[C@H](C(C)C)C2)c1 ZINC000309665288 229459205 /nfs/dbraw/zinc/45/92/05/229459205.db2.gz HNQMQDXYBANZNQ-STQMWFEESA-N 1 2 236.384 3.332 20 0 BGADLO CCOC(C)(C)CNc1[nH+]ccc(C)c1Cl ZINC000309668682 170315406 /nfs/dbraw/zinc/31/54/06/170315406.db2.gz VFKZDALWLUOMIT-UHFFFAOYSA-N 1 2 242.750 3.270 20 0 BGADLO CC(C)(C)CCNc1cc[nH+]c(C2CC2)n1 ZINC000309676260 385781594 /nfs/dbraw/zinc/78/15/94/385781594.db2.gz LWKQWOQVMUKMON-UHFFFAOYSA-N 1 2 219.332 3.202 20 0 BGADLO Cc1ccc(C[NH2+]C(C)(C)C(F)F)c(C)c1 ZINC000309684456 491154379 /nfs/dbraw/zinc/15/43/79/491154379.db2.gz GZVMAZXRUCJTMF-UHFFFAOYSA-N 1 2 227.298 3.437 20 0 BGADLO Cc1cccc(C[NH2+]C2(C(F)F)CC2)c1C ZINC000309687770 179088930 /nfs/dbraw/zinc/08/89/30/179088930.db2.gz HXMYAURQQTZCAU-UHFFFAOYSA-N 1 2 225.282 3.191 20 0 BGADLO CC(C)C[C@H]1CCC[C@H](Nc2c[nH]c[nH+]2)C1 ZINC000309689269 491154455 /nfs/dbraw/zinc/15/44/55/491154455.db2.gz PDCUJKNMPHDRKA-NEPJUHHUSA-N 1 2 221.348 3.427 20 0 BGADLO CC(C)C[C@@H]1CCC[C@@H](Nc2c[nH]c[nH+]2)C1 ZINC000309689270 491154418 /nfs/dbraw/zinc/15/44/18/491154418.db2.gz PDCUJKNMPHDRKA-NWDGAFQWSA-N 1 2 221.348 3.427 20 0 BGADLO CC(C)C[C@@H]1CCC[C@H](Nc2c[nH]c[nH+]2)C1 ZINC000309689271 491154403 /nfs/dbraw/zinc/15/44/03/491154403.db2.gz PDCUJKNMPHDRKA-RYUDHWBXSA-N 1 2 221.348 3.427 20 0 BGADLO CC(C)C[C@H]1CCC[C@@H](Nc2c[nH]c[nH+]2)C1 ZINC000309689272 491154460 /nfs/dbraw/zinc/15/44/60/491154460.db2.gz PDCUJKNMPHDRKA-VXGBXAGGSA-N 1 2 221.348 3.427 20 0 BGADLO Cc1cnc(C[NH2+]C(C)(C)c2cccs2)o1 ZINC000309690387 385791935 /nfs/dbraw/zinc/79/19/35/385791935.db2.gz JAVKLDAEEGWKQZ-UHFFFAOYSA-N 1 2 236.340 3.069 20 0 BGADLO Cc1ccoc1C[NH2+]C1(C(F)F)CCCC1 ZINC000309691716 491154599 /nfs/dbraw/zinc/15/45/99/491154599.db2.gz JQGSNJPLYDIQAF-UHFFFAOYSA-N 1 2 229.270 3.256 20 0 BGADLO Cc1cc(Cl)nc(CNc2cccc[nH+]2)c1 ZINC000309692869 633989502 /nfs/dbraw/zinc/98/95/02/633989502.db2.gz KBXKLJSMQLSLTC-UHFFFAOYSA-N 1 2 233.702 3.051 20 0 BGADLO Cc1ccc(C[NH2+]C2(C(F)F)CC2)cc1C ZINC000309695026 385794443 /nfs/dbraw/zinc/79/44/43/385794443.db2.gz KUUWNSJWQMWZBP-UHFFFAOYSA-N 1 2 225.282 3.191 20 0 BGADLO CSc1ccc(N[C@@H](C)COC(C)C)[nH+]c1 ZINC000309699171 385796376 /nfs/dbraw/zinc/79/63/76/385796376.db2.gz MBOHJBOKYSFHOU-JTQLQIEISA-N 1 2 240.372 3.029 20 0 BGADLO CSc1ccc(N[C@H](C)COC(C)C)[nH+]c1 ZINC000309699174 385797436 /nfs/dbraw/zinc/79/74/36/385797436.db2.gz MBOHJBOKYSFHOU-SNVBAGLBSA-N 1 2 240.372 3.029 20 0 BGADLO CCC[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000309699431 370244894 /nfs/dbraw/zinc/24/48/94/370244894.db2.gz MEERCMVGECOHOX-SECBINFHSA-N 1 2 219.332 3.263 20 0 BGADLO CCC[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000309699432 370244822 /nfs/dbraw/zinc/24/48/22/370244822.db2.gz MEERCMVGECOHOX-VIFPVBQESA-N 1 2 219.332 3.263 20 0 BGADLO Cc1ccc(C[NH2+]C(C)(C)C(F)F)cc1F ZINC000309701463 491154303 /nfs/dbraw/zinc/15/43/03/491154303.db2.gz MSBOSQWTUZXXAA-UHFFFAOYSA-N 1 2 231.261 3.267 20 0 BGADLO CC(C)([NH2+]Cc1scnc1C1CC1)C(F)F ZINC000309711821 491154807 /nfs/dbraw/zinc/15/48/07/491154807.db2.gz XIKGECHRYBEONY-UHFFFAOYSA-N 1 2 246.326 3.154 20 0 BGADLO Cc1ccc(C[NH2+]C(C)(C)C(F)F)cc1C ZINC000309716042 491154884 /nfs/dbraw/zinc/15/48/84/491154884.db2.gz SWXFEQBHDZZEDC-UHFFFAOYSA-N 1 2 227.298 3.437 20 0 BGADLO c1ccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)[nH+]c1 ZINC000309719218 384563705 /nfs/dbraw/zinc/56/37/05/384563705.db2.gz ZZZPIRYHLBDUHG-FRRDWIJNSA-N 1 2 216.328 3.462 20 0 BGADLO c1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)[nH+]c1 ZINC000309719219 384563758 /nfs/dbraw/zinc/56/37/58/384563758.db2.gz ZZZPIRYHLBDUHG-JHJVBQTASA-N 1 2 216.328 3.462 20 0 BGADLO c1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)[nH+]c1 ZINC000309719220 384562739 /nfs/dbraw/zinc/56/27/39/384562739.db2.gz ZZZPIRYHLBDUHG-RWMBFGLXSA-N 1 2 216.328 3.462 20 0 BGADLO c1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)[nH+]c1 ZINC000309719221 384562657 /nfs/dbraw/zinc/56/26/57/384562657.db2.gz ZZZPIRYHLBDUHG-YNEHKIRRSA-N 1 2 216.328 3.462 20 0 BGADLO CCC(O)(CC)CNc1[nH+]ccc(C)c1Cl ZINC000309720152 384563691 /nfs/dbraw/zinc/56/36/91/384563691.db2.gz VSYNRLFNXVMEFR-UHFFFAOYSA-N 1 2 242.750 3.006 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CC[C@H]2C2CCC2)c1 ZINC000309726384 384301767 /nfs/dbraw/zinc/30/17/67/384301767.db2.gz YCNYFYFRDIZSPI-KBPBESRZSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CC[C@@H]2C2CCC2)c1 ZINC000309726386 384301116 /nfs/dbraw/zinc/30/11/16/384301116.db2.gz YCNYFYFRDIZSPI-KGLIPLIRSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CC[C@H]2C2CCC2)c1 ZINC000309726389 384301372 /nfs/dbraw/zinc/30/13/72/384301372.db2.gz YCNYFYFRDIZSPI-UONOGXRCSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000309726390 384300601 /nfs/dbraw/zinc/30/06/01/384300601.db2.gz YCNYFYFRDIZSPI-ZIAGYGMSSA-N 1 2 216.328 3.381 20 0 BGADLO CC[C@@H]1CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000309726448 632661015 /nfs/dbraw/zinc/66/10/15/632661015.db2.gz YCTYCLHZORSRON-BXUZGUMPSA-N 1 2 218.344 3.353 20 0 BGADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000309726448 632661012 /nfs/dbraw/zinc/66/10/12/632661012.db2.gz YCTYCLHZORSRON-BXUZGUMPSA-N 1 2 218.344 3.353 20 0 BGADLO CC[C@H]1CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000309726455 632661229 /nfs/dbraw/zinc/66/12/29/632661229.db2.gz YCTYCLHZORSRON-FZMZJTMJSA-N 1 2 218.344 3.353 20 0 BGADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000309726455 632661223 /nfs/dbraw/zinc/66/12/23/632661223.db2.gz YCTYCLHZORSRON-FZMZJTMJSA-N 1 2 218.344 3.353 20 0 BGADLO CC[C@@H]1CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000309726466 632661839 /nfs/dbraw/zinc/66/18/39/632661839.db2.gz YCTYCLHZORSRON-RISCZKNCSA-N 1 2 218.344 3.353 20 0 BGADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000309726466 632661837 /nfs/dbraw/zinc/66/18/37/632661837.db2.gz YCTYCLHZORSRON-RISCZKNCSA-N 1 2 218.344 3.353 20 0 BGADLO CC[C@H]1CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000309726474 632661111 /nfs/dbraw/zinc/66/11/11/632661111.db2.gz YCTYCLHZORSRON-SMDDNHRTSA-N 1 2 218.344 3.353 20 0 BGADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000309726474 632661108 /nfs/dbraw/zinc/66/11/08/632661108.db2.gz YCTYCLHZORSRON-SMDDNHRTSA-N 1 2 218.344 3.353 20 0 BGADLO CCc1cc(N[C@@H]2CCC[C@@H]2CC)nc[nH+]1 ZINC000309727832 491155178 /nfs/dbraw/zinc/15/51/78/491155178.db2.gz YOYZFGSGTSKCMO-CMPLNLGQSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@H]2CCC[C@@H]2CC)nc[nH+]1 ZINC000309727833 491155184 /nfs/dbraw/zinc/15/51/84/491155184.db2.gz YOYZFGSGTSKCMO-JQWIXIFHSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@H]2CCC[C@H]2CC)nc[nH+]1 ZINC000309727834 491155152 /nfs/dbraw/zinc/15/51/52/491155152.db2.gz YOYZFGSGTSKCMO-PWSUYJOCSA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@@H]2CCC[C@H]2CC)nc[nH+]1 ZINC000309727835 491119267 /nfs/dbraw/zinc/11/92/67/491119267.db2.gz YOYZFGSGTSKCMO-ZYHUDNBSSA-N 1 2 219.332 3.030 20 0 BGADLO Cc1ccc(C[NH2+]C2(C(F)F)CC2)c(C)c1 ZINC000309730607 384562682 /nfs/dbraw/zinc/56/26/82/384562682.db2.gz ZRNFDJCKENHNEY-UHFFFAOYSA-N 1 2 225.282 3.191 20 0 BGADLO Cc1ccc(CCNc2cccc[nH+]2)cc1 ZINC000309731046 384570656 /nfs/dbraw/zinc/57/06/56/384570656.db2.gz ZZROKYHFLWRVLC-UHFFFAOYSA-N 1 2 212.296 3.045 20 0 BGADLO C[C@H](Nc1cc[nH+]cc1F)c1ccccc1 ZINC000309738225 491155320 /nfs/dbraw/zinc/15/53/20/491155320.db2.gz CUFDFHLMWKEULU-JTQLQIEISA-N 1 2 216.259 3.394 20 0 BGADLO C[C@@H](Nc1cc[nH+]cc1F)c1ccccc1 ZINC000309738226 491155288 /nfs/dbraw/zinc/15/52/88/491155288.db2.gz CUFDFHLMWKEULU-SNVBAGLBSA-N 1 2 216.259 3.394 20 0 BGADLO C[C@H](CCNc1c[nH]c[nH+]1)c1ccccc1 ZINC000309747332 347151777 /nfs/dbraw/zinc/15/17/77/347151777.db2.gz JMCYBXIFLIPMGF-LLVKDONJSA-N 1 2 215.300 3.015 20 0 BGADLO C[C@@H](CCNc1c[nH]c[nH+]1)c1ccccc1 ZINC000309747335 342846561 /nfs/dbraw/zinc/84/65/61/342846561.db2.gz JMCYBXIFLIPMGF-NSHDSACASA-N 1 2 215.300 3.015 20 0 BGADLO C[C@@H](Nc1c[nH]c[nH+]1)[C@@H](C)c1ccccc1 ZINC000309747674 342846708 /nfs/dbraw/zinc/84/67/08/342846708.db2.gz FYTFIXYZUXFYTQ-GHMZBOCLSA-N 1 2 215.300 3.014 20 0 BGADLO C[C@H](Nc1c[nH]c[nH+]1)[C@@H](C)c1ccccc1 ZINC000309747675 342846588 /nfs/dbraw/zinc/84/65/88/342846588.db2.gz FYTFIXYZUXFYTQ-MNOVXSKESA-N 1 2 215.300 3.014 20 0 BGADLO C[C@H](c1ccccc1)[C@H](C)Nc1c[nH]c[nH+]1 ZINC000309747676 342846628 /nfs/dbraw/zinc/84/66/28/342846628.db2.gz FYTFIXYZUXFYTQ-QWRGUYRKSA-N 1 2 215.300 3.014 20 0 BGADLO C[C@@H](Nc1c[nH]c[nH+]1)[C@H](C)c1ccccc1 ZINC000309747677 342847517 /nfs/dbraw/zinc/84/75/17/342847517.db2.gz FYTFIXYZUXFYTQ-WDEREUQCSA-N 1 2 215.300 3.014 20 0 BGADLO C[C@@H](Nc1ccc(F)c(Cl)c1)c1[nH]cc[nH+]1 ZINC000309762185 491156015 /nfs/dbraw/zinc/15/60/15/491156015.db2.gz IYJMIWQZYLKVLZ-SSDOTTSWSA-N 1 2 239.681 3.375 20 0 BGADLO C[C@H](Nc1ccc(F)c(Cl)c1)c1[nH]cc[nH+]1 ZINC000309762188 491093652 /nfs/dbraw/zinc/09/36/52/491093652.db2.gz IYJMIWQZYLKVLZ-ZETCQYMHSA-N 1 2 239.681 3.375 20 0 BGADLO Cc1ccc(F)c(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000309762959 491156060 /nfs/dbraw/zinc/15/60/60/491156060.db2.gz JBSRTDAWROAOTO-SECBINFHSA-N 1 2 219.263 3.030 20 0 BGADLO Cc1ccc(F)c(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000309762960 491156037 /nfs/dbraw/zinc/15/60/37/491156037.db2.gz JBSRTDAWROAOTO-VIFPVBQESA-N 1 2 219.263 3.030 20 0 BGADLO Cc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1F ZINC000309769333 491156076 /nfs/dbraw/zinc/15/60/76/491156076.db2.gz KDZBKCOXFDVWTF-SECBINFHSA-N 1 2 219.263 3.030 20 0 BGADLO Cc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1F ZINC000309769335 491156082 /nfs/dbraw/zinc/15/60/82/491156082.db2.gz KDZBKCOXFDVWTF-VIFPVBQESA-N 1 2 219.263 3.030 20 0 BGADLO CC1(CNc2cc3cc[nH]c3c[nH+]2)CCC1 ZINC000309772804 491156149 /nfs/dbraw/zinc/15/61/49/491156149.db2.gz KWONZCANKHAZPZ-UHFFFAOYSA-N 1 2 215.300 3.165 20 0 BGADLO CC1CC(Nc2c[nH+]c3c(c2)CCCC3)C1 ZINC000309774677 384392401 /nfs/dbraw/zinc/39/24/01/384392401.db2.gz LJLQRKNBMXQOQU-UHFFFAOYSA-N 1 2 216.328 3.171 20 0 BGADLO C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309782360 384400869 /nfs/dbraw/zinc/40/08/69/384400869.db2.gz NFCRXXHBDYTLKW-DVVUODLYSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H]1CCCC[C@H]1[NH2+][C@H](C1CC1)C(F)(F)F ZINC000309782361 384400240 /nfs/dbraw/zinc/40/02/40/384400240.db2.gz NFCRXXHBDYTLKW-FBIMIBRVSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309782363 384400184 /nfs/dbraw/zinc/40/01/84/384400184.db2.gz NFCRXXHBDYTLKW-IEBDPFPHSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000309782365 256527160 /nfs/dbraw/zinc/52/71/60/256527160.db2.gz NFCRXXHBDYTLKW-MIMYLULJSA-N 1 2 235.293 3.496 20 0 BGADLO CC1(CNc2[nH]c3cccc(Cl)c3[nH+]2)CC1 ZINC000309796124 259377591 /nfs/dbraw/zinc/37/75/91/259377591.db2.gz QFIZVGUJATYSDH-UHFFFAOYSA-N 1 2 235.718 3.428 20 0 BGADLO Cc1cc(NCC(C)(C)C(C)(C)C)nc[nH+]1 ZINC000309822269 178154612 /nfs/dbraw/zinc/15/46/12/178154612.db2.gz GHCMLRSQKHPMNQ-UHFFFAOYSA-N 1 2 221.348 3.269 20 0 BGADLO CC1(C)CC[C@@H]([NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000309831547 384649147 /nfs/dbraw/zinc/64/91/47/384649147.db2.gz YSEDRCHNUOCYRZ-NXEZZACHSA-N 1 2 235.293 3.496 20 0 BGADLO CC1(C)CC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000309831549 384650029 /nfs/dbraw/zinc/65/00/29/384650029.db2.gz YSEDRCHNUOCYRZ-UWVGGRQHSA-N 1 2 235.293 3.496 20 0 BGADLO CC1(C)CC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000309831553 388466997 /nfs/dbraw/zinc/46/69/97/388466997.db2.gz YSEDRCHNUOCYRZ-VHSXEESVSA-N 1 2 235.293 3.496 20 0 BGADLO CC1(C)CC[C@@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000309831556 388466371 /nfs/dbraw/zinc/46/63/71/388466371.db2.gz YSEDRCHNUOCYRZ-ZJUUUORDSA-N 1 2 235.293 3.496 20 0 BGADLO Cc1nc(NCC(C)(C)C(C)(C)C)cc[nH+]1 ZINC000309832440 180198670 /nfs/dbraw/zinc/19/86/70/180198670.db2.gz LBXHTGYJFQBAFS-UHFFFAOYSA-N 1 2 221.348 3.269 20 0 BGADLO C[C@H](F)CC[NH2+][C@H](c1ccccc1)C(F)F ZINC000309835927 384862699 /nfs/dbraw/zinc/86/26/99/384862699.db2.gz LROXGMHDZSTQEK-GXSJLCMTSA-N 1 2 231.261 3.331 20 0 BGADLO C[C@@H](F)CC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000309835929 384864098 /nfs/dbraw/zinc/86/40/98/384864098.db2.gz LROXGMHDZSTQEK-KOLCDFICSA-N 1 2 231.261 3.331 20 0 BGADLO C[C@@H](F)CC[NH2+][C@H](c1ccccc1)C(F)F ZINC000309835931 384656971 /nfs/dbraw/zinc/65/69/71/384656971.db2.gz LROXGMHDZSTQEK-MWLCHTKSSA-N 1 2 231.261 3.331 20 0 BGADLO C[C@H](F)CC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000309835934 384864127 /nfs/dbraw/zinc/86/41/27/384864127.db2.gz LROXGMHDZSTQEK-ONGXEEELSA-N 1 2 231.261 3.331 20 0 BGADLO CSc1ccc(N[C@H]2CC[C@@H]2C2CC2)[nH+]c1 ZINC000309836439 582904220 /nfs/dbraw/zinc/90/42/20/582904220.db2.gz BFXYNUFCMIGBSF-NEPJUHHUSA-N 1 2 234.368 3.404 20 0 BGADLO CSc1ccc(N[C@@H]2CC[C@H]2C2CC2)[nH+]c1 ZINC000309836446 582904215 /nfs/dbraw/zinc/90/42/15/582904215.db2.gz BFXYNUFCMIGBSF-NWDGAFQWSA-N 1 2 234.368 3.404 20 0 BGADLO CSc1ccc(N[C@H]2CC[C@H]2C2CC2)[nH+]c1 ZINC000309836451 538111050 /nfs/dbraw/zinc/11/10/50/538111050.db2.gz BFXYNUFCMIGBSF-RYUDHWBXSA-N 1 2 234.368 3.404 20 0 BGADLO CSc1ccc(N[C@@H]2CC[C@@H]2C2CC2)[nH+]c1 ZINC000309836458 538111067 /nfs/dbraw/zinc/11/10/67/538111067.db2.gz BFXYNUFCMIGBSF-VXGBXAGGSA-N 1 2 234.368 3.404 20 0 BGADLO Cc1cc(NCCF)c2cccc(F)c2[nH+]1 ZINC000309840331 178160179 /nfs/dbraw/zinc/16/01/79/178160179.db2.gz CVJDRGQAXMLUBP-UHFFFAOYSA-N 1 2 222.238 3.064 20 0 BGADLO Cc1ccc(NC2CC(C(F)F)C2)c(C)[nH+]1 ZINC000309841680 632673650 /nfs/dbraw/zinc/67/36/50/632673650.db2.gz DPDQFLTXWSYDCX-UHFFFAOYSA-N 1 2 226.270 3.154 20 0 BGADLO CCC(CC)CNc1cc2cc[nH]c2c[nH+]1 ZINC000309843634 491157022 /nfs/dbraw/zinc/15/70/22/491157022.db2.gz FNBQTKQHPJIOCZ-UHFFFAOYSA-N 1 2 217.316 3.411 20 0 BGADLO CC[C@H]1CC[C@H](Nc2cc(C)[nH+]cn2)CC1 ZINC000309843969 388466736 /nfs/dbraw/zinc/46/67/36/388466736.db2.gz RSIMAPLAYXITSL-HAQNSBGRSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1ccc(C)c(C[NH2+]C2(C(F)F)CC2)c1 ZINC000309846743 397870037 /nfs/dbraw/zinc/87/00/37/397870037.db2.gz GYSIKQORJZUMJQ-UHFFFAOYSA-N 1 2 225.282 3.191 20 0 BGADLO Cc1cc[nH+]c(NCCOC(C)(C)C)c1Cl ZINC000309856973 370269702 /nfs/dbraw/zinc/26/97/02/370269702.db2.gz KXJDLYUVEAGAQU-UHFFFAOYSA-N 1 2 242.750 3.270 20 0 BGADLO COc1ccc(NC[C@H](C)CC(C)C)[nH+]c1 ZINC000309861546 491157691 /nfs/dbraw/zinc/15/76/91/491157691.db2.gz MTGNDUAHALQAQA-LLVKDONJSA-N 1 2 222.332 3.184 20 0 BGADLO COc1ccc(NC[C@@H](C)CC(C)C)[nH+]c1 ZINC000309861547 491157671 /nfs/dbraw/zinc/15/76/71/491157671.db2.gz MTGNDUAHALQAQA-NSHDSACASA-N 1 2 222.332 3.184 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@H]2C2CCC2)c[nH+]1 ZINC000309861595 384672486 /nfs/dbraw/zinc/67/24/86/384672486.db2.gz MWAPEHGUGGPBNQ-KBPBESRZSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@@H]2C2CCC2)c[nH+]1 ZINC000309861596 384673731 /nfs/dbraw/zinc/67/37/31/384673731.db2.gz MWAPEHGUGGPBNQ-KGLIPLIRSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@H]2C2CCC2)c[nH+]1 ZINC000309861597 384674304 /nfs/dbraw/zinc/67/43/04/384674304.db2.gz MWAPEHGUGGPBNQ-UONOGXRCSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@@H]2C2CCC2)c[nH+]1 ZINC000309861598 384672127 /nfs/dbraw/zinc/67/21/27/384672127.db2.gz MWAPEHGUGGPBNQ-ZIAGYGMSSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1ccccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000309870694 491157748 /nfs/dbraw/zinc/15/77/48/491157748.db2.gz QNWOHNYKCXDZRS-GFCCVEGCSA-N 1 2 225.282 3.272 20 0 BGADLO Cc1ccccc1C[NH2+][C@H]1CCCC1(F)F ZINC000309870696 491157751 /nfs/dbraw/zinc/15/77/51/491157751.db2.gz QNWOHNYKCXDZRS-LBPRGKRZSA-N 1 2 225.282 3.272 20 0 BGADLO COc1ccc(N[C@@H](C)CCC2CC2)[nH+]c1 ZINC000309873707 491157829 /nfs/dbraw/zinc/15/78/29/491157829.db2.gz RSQPCPQHRIZTTF-JTQLQIEISA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@H](C)CCC2CC2)[nH+]c1 ZINC000309873708 491157824 /nfs/dbraw/zinc/15/78/24/491157824.db2.gz RSQPCPQHRIZTTF-SNVBAGLBSA-N 1 2 220.316 3.081 20 0 BGADLO Cc1cc[nH+]c(NCCc2ccco2)c1Cl ZINC000309874374 384684669 /nfs/dbraw/zinc/68/46/69/384684669.db2.gz RYDJTSOBDAQKHO-UHFFFAOYSA-N 1 2 236.702 3.291 20 0 BGADLO COc1ccc[nH+]c1N[C@@H](C)CCC1CC1 ZINC000309875270 326173011 /nfs/dbraw/zinc/17/30/11/326173011.db2.gz SIJSEXAFJZEOBC-JTQLQIEISA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc[nH+]c1N[C@H](C)CCC1CC1 ZINC000309875271 326172939 /nfs/dbraw/zinc/17/29/39/326172939.db2.gz SIJSEXAFJZEOBC-SNVBAGLBSA-N 1 2 220.316 3.081 20 0 BGADLO Cc1cc[nH+]c(NC[C@@H]2CCCCO2)c1Cl ZINC000309884008 179446963 /nfs/dbraw/zinc/44/69/63/179446963.db2.gz XEQLSVHITHWKHA-JTQLQIEISA-N 1 2 240.734 3.024 20 0 BGADLO Cc1cc[nH+]c(NC[C@H]2CCCCO2)c1Cl ZINC000309884009 384692252 /nfs/dbraw/zinc/69/22/52/384692252.db2.gz XEQLSVHITHWKHA-SNVBAGLBSA-N 1 2 240.734 3.024 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@H]2C2CC2)c(C)[nH+]1 ZINC000309885321 491157629 /nfs/dbraw/zinc/15/76/29/491157629.db2.gz XXUSJDCCWCIFON-GXTWGEPZSA-N 1 2 216.328 3.299 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@H]2C2CC2)c(C)[nH+]1 ZINC000309885322 491157621 /nfs/dbraw/zinc/15/76/21/491157621.db2.gz XXUSJDCCWCIFON-JSGCOSHPSA-N 1 2 216.328 3.299 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@@H]2C2CC2)c(C)[nH+]1 ZINC000309885323 491157623 /nfs/dbraw/zinc/15/76/23/491157623.db2.gz XXUSJDCCWCIFON-OCCSQVGLSA-N 1 2 216.328 3.299 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@@H]2C2CC2)c(C)[nH+]1 ZINC000309885324 491157581 /nfs/dbraw/zinc/15/75/81/491157581.db2.gz XXUSJDCCWCIFON-TZMCWYRMSA-N 1 2 216.328 3.299 20 0 BGADLO CC[C@](C)([NH2+]CCC(C)(C)OC)C(F)(F)F ZINC000309888486 326173382 /nfs/dbraw/zinc/17/33/82/326173382.db2.gz ZKEWKPNDNUBZMR-JTQLQIEISA-N 1 2 241.297 3.122 20 0 BGADLO CC[C@@](C)([NH2+]CCC(C)(C)OC)C(F)(F)F ZINC000309888487 326173428 /nfs/dbraw/zinc/17/34/28/326173428.db2.gz ZKEWKPNDNUBZMR-SNVBAGLBSA-N 1 2 241.297 3.122 20 0 BGADLO Cc1cc(C)cc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000309893181 491157930 /nfs/dbraw/zinc/15/79/30/491157930.db2.gz DODJSUNYKAUJIK-UHFFFAOYSA-N 1 2 227.298 3.437 20 0 BGADLO CSc1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000309900303 384698924 /nfs/dbraw/zinc/69/89/24/384698924.db2.gz HHNROQOIXMGHHG-UHFFFAOYSA-N 1 2 243.322 3.296 20 0 BGADLO CCOCCCCNc1[nH+]ccc(C)c1Cl ZINC000309907577 170371096 /nfs/dbraw/zinc/37/10/96/170371096.db2.gz LALJDEUUJJXNIW-UHFFFAOYSA-N 1 2 242.750 3.272 20 0 BGADLO CCSCCNc1c[nH+]c2c(c1)CCCC2 ZINC000309926879 384725565 /nfs/dbraw/zinc/72/55/65/384725565.db2.gz VSEAQSVRXPFDGD-UHFFFAOYSA-N 1 2 236.384 3.125 20 0 BGADLO CCSCc1cc[nH+]c(NC[C@H]2C[C@@H]2C)c1 ZINC000309928094 384726984 /nfs/dbraw/zinc/72/69/84/384726984.db2.gz WIVVXSMLWRMQRM-CMPLNLGQSA-N 1 2 236.384 3.403 20 0 BGADLO CCSCc1cc[nH+]c(NC[C@@H]2C[C@@H]2C)c1 ZINC000309928096 384724954 /nfs/dbraw/zinc/72/49/54/384724954.db2.gz WIVVXSMLWRMQRM-JQWIXIFHSA-N 1 2 236.384 3.403 20 0 BGADLO CCSCc1cc[nH+]c(NC[C@@H]2C[C@H]2C)c1 ZINC000309928098 384726193 /nfs/dbraw/zinc/72/61/93/384726193.db2.gz WIVVXSMLWRMQRM-PWSUYJOCSA-N 1 2 236.384 3.403 20 0 BGADLO CCSCc1cc[nH+]c(NC[C@H]2C[C@H]2C)c1 ZINC000309928100 384724734 /nfs/dbraw/zinc/72/47/34/384724734.db2.gz WIVVXSMLWRMQRM-ZYHUDNBSSA-N 1 2 236.384 3.403 20 0 BGADLO CCC(C)(C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000309949980 168302556 /nfs/dbraw/zinc/30/25/56/168302556.db2.gz FQGRARYOQMBRDI-UHFFFAOYSA-N 1 2 219.332 3.263 20 0 BGADLO CCCc1csc(CNc2cccc[nH+]2)n1 ZINC000309962512 384751180 /nfs/dbraw/zinc/75/11/80/384751180.db2.gz LYYRQXVLEXVJLD-UHFFFAOYSA-N 1 2 233.340 3.103 20 0 BGADLO COCC(C)(C)CNc1[nH+]ccc(C)c1Cl ZINC000309977458 174076792 /nfs/dbraw/zinc/07/67/92/174076792.db2.gz UKNIAQYHQOMSIW-UHFFFAOYSA-N 1 2 242.750 3.128 20 0 BGADLO CCC(CC)Nc1cc[nH+]c2ccncc12 ZINC000310012806 168394967 /nfs/dbraw/zinc/39/49/67/168394967.db2.gz JHWPYHQOFFATOO-UHFFFAOYSA-N 1 2 215.300 3.230 20 0 BGADLO CCCC1(CNc2cc[nH+]c(C)n2)CCC1 ZINC000310015211 384797618 /nfs/dbraw/zinc/79/76/18/384797618.db2.gz KOPUNIIAWYOOHL-UHFFFAOYSA-N 1 2 219.332 3.167 20 0 BGADLO CCC(CC)CNc1cc[nH+]c(C(C)C)n1 ZINC000310019432 384786792 /nfs/dbraw/zinc/78/67/92/384786792.db2.gz MKUPKNXFVPBMKA-UHFFFAOYSA-N 1 2 221.348 3.448 20 0 BGADLO CC[C@@H](C)[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000310024678 384789487 /nfs/dbraw/zinc/78/94/87/384789487.db2.gz OQYNOQVIWQTQJZ-GHMZBOCLSA-N 1 2 221.348 3.447 20 0 BGADLO CC[C@@H](C)[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000310024679 170792312 /nfs/dbraw/zinc/79/23/12/170792312.db2.gz OQYNOQVIWQTQJZ-MNOVXSKESA-N 1 2 221.348 3.447 20 0 BGADLO CC[C@H](C)[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000310024680 171391258 /nfs/dbraw/zinc/39/12/58/171391258.db2.gz OQYNOQVIWQTQJZ-QWRGUYRKSA-N 1 2 221.348 3.447 20 0 BGADLO CC[C@H](C)[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000310024681 171367524 /nfs/dbraw/zinc/36/75/24/171367524.db2.gz OQYNOQVIWQTQJZ-WDEREUQCSA-N 1 2 221.348 3.447 20 0 BGADLO CCC(CC)(CC)CNc1cc[nH+]c(C)n1 ZINC000310037963 168316336 /nfs/dbraw/zinc/31/63/36/168316336.db2.gz VQMDXJIMTKHUNE-UHFFFAOYSA-N 1 2 221.348 3.413 20 0 BGADLO Cc1cc(N)nc(S[C@@H]2C=CCCCCC2)[nH+]1 ZINC000310062025 388475220 /nfs/dbraw/zinc/47/52/20/388475220.db2.gz UBNZWHZUZIHPIK-LLVKDONJSA-N 1 2 249.383 3.348 20 0 BGADLO Cc1cc(N)nc(S[C@H]2C=CCCCCC2)[nH+]1 ZINC000310062026 388475442 /nfs/dbraw/zinc/47/54/42/388475442.db2.gz UBNZWHZUZIHPIK-NSHDSACASA-N 1 2 249.383 3.348 20 0 BGADLO COc1cc[nH+]cc1CSc1cccc(O)c1 ZINC000310076858 175373457 /nfs/dbraw/zinc/37/34/57/175373457.db2.gz GVJBTGKOSMVVHV-UHFFFAOYSA-N 1 2 247.319 3.088 20 0 BGADLO COc1cc[nH+]cc1CSc1ccc(O)cc1 ZINC000310083301 175374059 /nfs/dbraw/zinc/37/40/59/175374059.db2.gz LFUBDDGLFVVYQO-UHFFFAOYSA-N 1 2 247.319 3.088 20 0 BGADLO Cc1ccoc1C[NH2+]Cc1c(F)cccc1F ZINC000310097221 384829045 /nfs/dbraw/zinc/82/90/45/384829045.db2.gz ADBVPEMYILOBEV-UHFFFAOYSA-N 1 2 237.249 3.156 20 0 BGADLO COc1cc[nH+]cc1COc1cccc(Cl)c1 ZINC000310334097 175373373 /nfs/dbraw/zinc/37/33/73/175373373.db2.gz ATZCDFXHTFFTBB-UHFFFAOYSA-N 1 2 249.697 3.323 20 0 BGADLO COc1cc[nH+]cc1COc1ccccc1Cl ZINC000310335629 175373337 /nfs/dbraw/zinc/37/33/37/175373337.db2.gz BEHMIEYKCXGHBZ-UHFFFAOYSA-N 1 2 249.697 3.323 20 0 BGADLO c1[nH+]c2c(n1COC1CCCCC1)CCCC2 ZINC000310372396 386180824 /nfs/dbraw/zinc/18/08/24/386180824.db2.gz OGTYQJFQXQVSKE-UHFFFAOYSA-N 1 2 234.343 3.069 20 0 BGADLO CCc1cc(N[C@@H]2CC3CCC2CC3)nc[nH+]1 ZINC000310372771 491161205 /nfs/dbraw/zinc/16/12/05/491161205.db2.gz YIWLYQPKVWZZIG-GCZXYKMCSA-N 1 2 231.343 3.030 20 0 BGADLO CCc1cc(N[C@H]2CC3CCC2CC3)nc[nH+]1 ZINC000310372772 491161183 /nfs/dbraw/zinc/16/11/83/491161183.db2.gz YIWLYQPKVWZZIG-XIVSLSHWSA-N 1 2 231.343 3.030 20 0 BGADLO C[C@@H]1CC[C@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000310390827 632733645 /nfs/dbraw/zinc/73/36/45/632733645.db2.gz RQEJNLZDBMSGJZ-BXUZGUMPSA-N 1 2 227.311 3.083 20 0 BGADLO C[C@H]1CC[C@@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000310390828 632734070 /nfs/dbraw/zinc/73/40/70/632734070.db2.gz RQEJNLZDBMSGJZ-FZMZJTMJSA-N 1 2 227.311 3.083 20 0 BGADLO C[C@@H]1CC[C@@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000310390829 632733355 /nfs/dbraw/zinc/73/33/55/632733355.db2.gz RQEJNLZDBMSGJZ-RISCZKNCSA-N 1 2 227.311 3.083 20 0 BGADLO C[C@H]1CC[C@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000310390830 632733474 /nfs/dbraw/zinc/73/34/74/632733474.db2.gz RQEJNLZDBMSGJZ-SMDDNHRTSA-N 1 2 227.311 3.083 20 0 BGADLO CCN(CC)c1ccc(N[C@@H]2CC[C@H]2C)c[nH+]1 ZINC000310391368 635865503 /nfs/dbraw/zinc/86/55/03/635865503.db2.gz RRBZYSUGZOQQTH-DGCLKSJQSA-N 1 2 233.359 3.138 20 0 BGADLO CCN(CC)c1ccc(N[C@@H]2CC[C@@H]2C)c[nH+]1 ZINC000310391372 632733506 /nfs/dbraw/zinc/73/35/06/632733506.db2.gz RRBZYSUGZOQQTH-WCQYABFASA-N 1 2 233.359 3.138 20 0 BGADLO CCN(CC)c1ccc(N[C@H]2CC[C@H]2C)c[nH+]1 ZINC000310391377 632734532 /nfs/dbraw/zinc/73/45/32/632734532.db2.gz RRBZYSUGZOQQTH-YPMHNXCESA-N 1 2 233.359 3.138 20 0 BGADLO CC(C)C[N@@H+](CCCCCO)c1ccccc1 ZINC000310395104 388481936 /nfs/dbraw/zinc/48/19/36/388481936.db2.gz HGOSWONNSMEGNU-UHFFFAOYSA-N 1 2 235.371 3.312 20 0 BGADLO CC(C)C[N@H+](CCCCCO)c1ccccc1 ZINC000310395104 388481935 /nfs/dbraw/zinc/48/19/35/388481935.db2.gz HGOSWONNSMEGNU-UHFFFAOYSA-N 1 2 235.371 3.312 20 0 BGADLO CC(C)CO[C@@H]1C[C@H]([NH2+]CCCCF)C1(C)C ZINC000310398860 187486313 /nfs/dbraw/zinc/48/63/13/187486313.db2.gz MOGVZEKPPWDDQY-QWHCGFSZSA-N 1 2 245.382 3.165 20 0 BGADLO CC(C)C[N@@H+](CCC(C)(C)O)c1ccccc1 ZINC000310419708 388483096 /nfs/dbraw/zinc/48/30/96/388483096.db2.gz NYOWGTBIDORMEB-UHFFFAOYSA-N 1 2 235.371 3.310 20 0 BGADLO CC(C)C[N@H+](CCC(C)(C)O)c1ccccc1 ZINC000310419708 388483094 /nfs/dbraw/zinc/48/30/94/388483094.db2.gz NYOWGTBIDORMEB-UHFFFAOYSA-N 1 2 235.371 3.310 20 0 BGADLO CC(C)C[N@@H+](CCC[C@H](C)O)c1ccccc1 ZINC000310434163 347280908 /nfs/dbraw/zinc/28/09/08/347280908.db2.gz STUUJJROKUNHPX-AWEZNQCLSA-N 1 2 235.371 3.310 20 0 BGADLO CC(C)C[N@H+](CCC[C@H](C)O)c1ccccc1 ZINC000310434163 347280904 /nfs/dbraw/zinc/28/09/04/347280904.db2.gz STUUJJROKUNHPX-AWEZNQCLSA-N 1 2 235.371 3.310 20 0 BGADLO CC(C)C[N@@H+](CCC[C@@H](C)O)c1ccccc1 ZINC000310434164 347282137 /nfs/dbraw/zinc/28/21/37/347282137.db2.gz STUUJJROKUNHPX-CQSZACIVSA-N 1 2 235.371 3.310 20 0 BGADLO CC(C)C[N@H+](CCC[C@@H](C)O)c1ccccc1 ZINC000310434164 347282132 /nfs/dbraw/zinc/28/21/32/347282132.db2.gz STUUJJROKUNHPX-CQSZACIVSA-N 1 2 235.371 3.310 20 0 BGADLO CC(C)c1ccccc1NCc1cn(C)c[nH+]1 ZINC000310470819 491161632 /nfs/dbraw/zinc/16/16/32/491161632.db2.gz BHNWQIVXLWARRB-UHFFFAOYSA-N 1 2 229.327 3.156 20 0 BGADLO COc1ccc([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c(OC)c1 ZINC000310548144 632756594 /nfs/dbraw/zinc/75/65/94/632756594.db2.gz VOVPVMDJGFBKPR-GBIKHYSHSA-N 1 2 235.327 3.160 20 0 BGADLO COc1ccc([NH2+][C@@H]2C[C@@H](C)[C@H]2C)c(OC)c1 ZINC000310548145 632755267 /nfs/dbraw/zinc/75/52/67/632755267.db2.gz VOVPVMDJGFBKPR-GIPNMCIBSA-N 1 2 235.327 3.160 20 0 BGADLO COc1ccc([NH2+][C@@H]2C[C@H](C)[C@H]2C)c(OC)c1 ZINC000310548147 632757121 /nfs/dbraw/zinc/75/71/21/632757121.db2.gz VOVPVMDJGFBKPR-OPQQBVKSSA-N 1 2 235.327 3.160 20 0 BGADLO COc1ccc([NH2+][C@@H]2C[C@H](C)[C@@H]2C)c(OC)c1 ZINC000310548148 632755677 /nfs/dbraw/zinc/75/56/77/632755677.db2.gz VOVPVMDJGFBKPR-OUJBWJOFSA-N 1 2 235.327 3.160 20 0 BGADLO C[C@H]1CC[C@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000310628816 636270809 /nfs/dbraw/zinc/27/08/09/636270809.db2.gz LHFJWQQWDUBZED-GXTWGEPZSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H]1CC[C@@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000310628818 636270749 /nfs/dbraw/zinc/27/07/49/636270749.db2.gz LHFJWQQWDUBZED-JSGCOSHPSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H]1CC[C@@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000310628820 632808678 /nfs/dbraw/zinc/80/86/78/632808678.db2.gz LHFJWQQWDUBZED-OCCSQVGLSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H]1CC[C@H]1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000310628822 632809372 /nfs/dbraw/zinc/80/93/72/632809372.db2.gz LHFJWQQWDUBZED-TZMCWYRMSA-N 1 2 245.370 3.282 20 0 BGADLO COC(=O)CCC[N@@H+](CC(C)C)c1ccccc1 ZINC000310635299 385133222 /nfs/dbraw/zinc/13/32/22/385133222.db2.gz QASMOOZQADNIDB-UHFFFAOYSA-N 1 2 249.354 3.102 20 0 BGADLO COC(=O)CCC[N@H+](CC(C)C)c1ccccc1 ZINC000310635299 385133218 /nfs/dbraw/zinc/13/32/18/385133218.db2.gz QASMOOZQADNIDB-UHFFFAOYSA-N 1 2 249.354 3.102 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(C)cc1OC)[C@@H]1CCOC1 ZINC000310723564 388488115 /nfs/dbraw/zinc/48/81/15/388488115.db2.gz SHJILPJVJTWQLG-CHWSQXEVSA-N 1 2 249.354 3.231 20 0 BGADLO CC[C@H]([NH2+]c1ccc(C)cc1OC)[C@@H]1CCOC1 ZINC000310723565 529676351 /nfs/dbraw/zinc/67/63/51/529676351.db2.gz SHJILPJVJTWQLG-OLZOCXBDSA-N 1 2 249.354 3.231 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(C)cc1OC)[C@H]1CCOC1 ZINC000310723567 388487413 /nfs/dbraw/zinc/48/74/13/388487413.db2.gz SHJILPJVJTWQLG-QWHCGFSZSA-N 1 2 249.354 3.231 20 0 BGADLO CC[C@H]([NH2+]c1ccc(C)cc1OC)[C@H]1CCOC1 ZINC000310723569 388487492 /nfs/dbraw/zinc/48/74/92/388487492.db2.gz SHJILPJVJTWQLG-STQMWFEESA-N 1 2 249.354 3.231 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)c1ccc(F)cc1 ZINC000310763048 387539054 /nfs/dbraw/zinc/53/90/54/387539054.db2.gz ZKKGXWMYAYEIBR-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO CC[C@H]([NH2+]Cc1cn[nH]c1C)c1cccc(C)c1 ZINC000310764308 385162814 /nfs/dbraw/zinc/16/28/14/385162814.db2.gz LBDOFWAWTAEZKX-HNNXBMFYSA-N 1 2 243.354 3.267 20 0 BGADLO CC[C@@H]([NH2+]Cc1cn[nH]c1C)c1cccc(C)c1 ZINC000310764309 347303823 /nfs/dbraw/zinc/30/38/23/347303823.db2.gz LBDOFWAWTAEZKX-OAHLLOKOSA-N 1 2 243.354 3.267 20 0 BGADLO COc1cccc2c1cc[nH+]c2N1CCCCC1 ZINC000310802759 132294566 /nfs/dbraw/zinc/29/45/66/132294566.db2.gz UBZJSSMONKIHDU-UHFFFAOYSA-N 1 2 242.322 3.234 20 0 BGADLO COc1cc[nH+]cc1COc1ccc(C)c(F)c1 ZINC000310863648 347315909 /nfs/dbraw/zinc/31/59/09/347315909.db2.gz DDRNGXUOKATINA-UHFFFAOYSA-N 1 2 247.269 3.117 20 0 BGADLO COc1cc[nH+]cc1COc1cccc(C)c1C ZINC000310872234 347315052 /nfs/dbraw/zinc/31/50/52/347315052.db2.gz GAUISDAUDGYXFL-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO COc1cc[nH+]cc1COc1ccc(F)c(C)c1 ZINC000310880359 347318277 /nfs/dbraw/zinc/31/82/77/347318277.db2.gz IBDPNSRANOUYOM-UHFFFAOYSA-N 1 2 247.269 3.117 20 0 BGADLO COc1cc[nH+]cc1COc1ccc(C)c(C)c1 ZINC000310898644 347319964 /nfs/dbraw/zinc/31/99/64/347319964.db2.gz MHHUVBYGNZIQRH-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO CCc1cccc(OCc2c[nH+]ccc2OC)c1 ZINC000310904312 347326508 /nfs/dbraw/zinc/32/65/08/347326508.db2.gz NLRXKTVSGRWLGK-UHFFFAOYSA-N 1 2 243.306 3.232 20 0 BGADLO COc1cc[nH+]cc1COc1ccc(F)cc1C ZINC000310906519 347327267 /nfs/dbraw/zinc/32/72/67/347327267.db2.gz NYTYNUNXDHLVBR-UHFFFAOYSA-N 1 2 247.269 3.117 20 0 BGADLO COc1cc[nH+]cc1COc1cc(C)ccc1F ZINC000310908374 347326022 /nfs/dbraw/zinc/32/60/22/347326022.db2.gz OIIXQOMTWMIMTF-UHFFFAOYSA-N 1 2 247.269 3.117 20 0 BGADLO COc1cc[nH+]cc1COc1cc(C)cc(C)c1 ZINC000310953128 175373881 /nfs/dbraw/zinc/37/38/81/175373881.db2.gz ZRJJXKOFBOTEPK-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO CO[C@H](C)CCNc1[nH+]c2ccccc2cc1C ZINC000311044802 370383393 /nfs/dbraw/zinc/38/33/93/370383393.db2.gz HCXHDHNVLONHKF-GFCCVEGCSA-N 1 2 244.338 3.380 20 0 BGADLO CO[C@@H](C)CCNc1[nH+]c2ccccc2cc1C ZINC000311044803 370383676 /nfs/dbraw/zinc/38/36/76/370383676.db2.gz HCXHDHNVLONHKF-LBPRGKRZSA-N 1 2 244.338 3.380 20 0 BGADLO CC[C@H](CNc1[nH+]c2ccccc2cc1C)OC ZINC000311050343 325122174 /nfs/dbraw/zinc/12/21/74/325122174.db2.gz GOJVJQXBGJKIMB-CYBMUJFWSA-N 1 2 244.338 3.380 20 0 BGADLO CC[C@@H](CNc1[nH+]c2ccccc2cc1C)OC ZINC000311050344 325122164 /nfs/dbraw/zinc/12/21/64/325122164.db2.gz GOJVJQXBGJKIMB-ZDUSSCGKSA-N 1 2 244.338 3.380 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@@H]1C ZINC000311051153 388492612 /nfs/dbraw/zinc/49/26/12/388492612.db2.gz GSXATZOVOFVIPM-BZPMIXESSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@H]1C ZINC000311051154 533968586 /nfs/dbraw/zinc/96/85/86/533968586.db2.gz GSXATZOVOFVIPM-DYEKYZERSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@H]1C ZINC000311051156 533661332 /nfs/dbraw/zinc/66/13/32/533661332.db2.gz GSXATZOVOFVIPM-MBNYWOFBSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@@H]1C ZINC000311051158 388492405 /nfs/dbraw/zinc/49/24/05/388492405.db2.gz GSXATZOVOFVIPM-YRGRVCCFSA-N 1 2 245.370 3.138 20 0 BGADLO CCCCc1ccc(NCc2cn(C)c[nH+]2)cc1 ZINC000311073112 538112747 /nfs/dbraw/zinc/11/27/47/538112747.db2.gz DJECLWIDEGKQBL-UHFFFAOYSA-N 1 2 243.354 3.375 20 0 BGADLO Cc1ccoc1CNc1[nH]c2cc(F)ccc2[nH+]1 ZINC000311084993 385304422 /nfs/dbraw/zinc/30/44/22/385304422.db2.gz GUWMGIZNWDRSGB-UHFFFAOYSA-N 1 2 245.257 3.216 20 0 BGADLO C[C@@H]1C[C@H]([NH2+]c2ccc(-n3cccn3)cc2)[C@@H]1C ZINC000311086322 388492599 /nfs/dbraw/zinc/49/25/99/388492599.db2.gz MYPZEAQLTWHEQA-JMSVASOKSA-N 1 2 241.338 3.329 20 0 BGADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(-n3cccn3)cc2)[C@@H]1C ZINC000311086326 388492061 /nfs/dbraw/zinc/49/20/61/388492061.db2.gz MYPZEAQLTWHEQA-LALPHHSUSA-N 1 2 241.338 3.329 20 0 BGADLO C[C@@H]1C[C@@H]([NH2+]c2ccc(-n3cccn3)cc2)[C@H]1C ZINC000311086329 388491771 /nfs/dbraw/zinc/49/17/71/388491771.db2.gz MYPZEAQLTWHEQA-TYNCELHUSA-N 1 2 241.338 3.329 20 0 BGADLO C[C@@H]1C[C@H]([NH2+]c2ccc(-n3cccn3)cc2)[C@H]1C ZINC000311086331 388492643 /nfs/dbraw/zinc/49/26/43/388492643.db2.gz MYPZEAQLTWHEQA-XUJVJEKNSA-N 1 2 241.338 3.329 20 0 BGADLO Cc1ccoc1CNc1[nH+]c2ccccc2n1C ZINC000311092850 397890092 /nfs/dbraw/zinc/89/00/92/397890092.db2.gz INHSUQHACVBIEZ-UHFFFAOYSA-N 1 2 241.294 3.087 20 0 BGADLO Cc1ccoc1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000311109970 178176953 /nfs/dbraw/zinc/17/69/53/178176953.db2.gz MHOPEPHRMZOYGN-UHFFFAOYSA-N 1 2 245.326 3.422 20 0 BGADLO Cc1nc(NCC(C)(C)C2=CCCC2)cc[nH+]1 ZINC000312253754 388508384 /nfs/dbraw/zinc/50/83/84/388508384.db2.gz KLYUADBCHLBXGO-UHFFFAOYSA-N 1 2 231.343 3.333 20 0 BGADLO Cc1cc(NCC(C)(C)C2=CCCC2)nc[nH+]1 ZINC000312259724 388508651 /nfs/dbraw/zinc/50/86/51/388508651.db2.gz UKBFGUVWRFAGLA-UHFFFAOYSA-N 1 2 231.343 3.333 20 0 BGADLO FCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312580246 383927704 /nfs/dbraw/zinc/92/77/04/383927704.db2.gz KMPLLONCMIJKFL-UHFFFAOYSA-N 1 2 228.119 3.114 20 0 BGADLO CC1(C)COC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000313056460 259330262 /nfs/dbraw/zinc/33/02/62/259330262.db2.gz BLKRUKOKTKDOTK-CYBMUJFWSA-N 1 2 242.322 3.072 20 0 BGADLO CC1(C)COC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000313056461 259330081 /nfs/dbraw/zinc/33/00/81/259330081.db2.gz BLKRUKOKTKDOTK-ZDUSSCGKSA-N 1 2 242.322 3.072 20 0 BGADLO CC[C@@H](O)[C@H](CC)Nc1ccc2ccccc2[nH+]1 ZINC000313163070 383978989 /nfs/dbraw/zinc/97/89/89/383978989.db2.gz RPLZYEOJCXUANR-GXTWGEPZSA-N 1 2 244.338 3.196 20 0 BGADLO CC[C@H](O)[C@H](CC)Nc1ccc2ccccc2[nH+]1 ZINC000313163072 383978141 /nfs/dbraw/zinc/97/81/41/383978141.db2.gz RPLZYEOJCXUANR-JSGCOSHPSA-N 1 2 244.338 3.196 20 0 BGADLO CC[C@@H](Nc1ccc2ccccc2[nH+]1)[C@@H](O)CC ZINC000313163073 383977696 /nfs/dbraw/zinc/97/76/96/383977696.db2.gz RPLZYEOJCXUANR-OCCSQVGLSA-N 1 2 244.338 3.196 20 0 BGADLO CC[C@@H](O)[C@@H](CC)Nc1ccc2ccccc2[nH+]1 ZINC000313163075 383980039 /nfs/dbraw/zinc/98/00/39/383980039.db2.gz RPLZYEOJCXUANR-TZMCWYRMSA-N 1 2 244.338 3.196 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)c2nccs2)nc1C ZINC000314016572 384760646 /nfs/dbraw/zinc/76/06/46/384760646.db2.gz HBIIFBXBCUIYHK-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)c2nccs2)nc1C ZINC000314016573 384760209 /nfs/dbraw/zinc/76/02/09/384760209.db2.gz HBIIFBXBCUIYHK-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)c2cscn2)nc1C ZINC000314081105 326290501 /nfs/dbraw/zinc/29/05/01/326290501.db2.gz WRSRCAVJQXQNOX-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)nc1C ZINC000314081106 326290556 /nfs/dbraw/zinc/29/05/56/326290556.db2.gz WRSRCAVJQXQNOX-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO COC1(CNc2ccc(C)[nH+]c2C)CCCCC1 ZINC000318946402 174006259 /nfs/dbraw/zinc/00/62/59/174006259.db2.gz AKUYLJHQHKVPNY-UHFFFAOYSA-N 1 2 248.370 3.460 20 0 BGADLO COC1(CNc2ccc([NH+](C)C)cc2)CCCC1 ZINC000319121611 635497954 /nfs/dbraw/zinc/49/79/54/635497954.db2.gz DQAYGNRVLBISHV-UHFFFAOYSA-N 1 2 248.370 3.124 20 0 BGADLO COC1(CNc2ccc(C)[nH+]c2C)CCCC1 ZINC000319375955 174006437 /nfs/dbraw/zinc/00/64/37/174006437.db2.gz YZNMPRGYXWNPSO-UHFFFAOYSA-N 1 2 234.343 3.070 20 0 BGADLO COC1(CNc2c[nH+]ccc2C)CCCCC1 ZINC000319561422 174006054 /nfs/dbraw/zinc/00/60/54/174006054.db2.gz FACZZVORDWYITL-UHFFFAOYSA-N 1 2 234.343 3.151 20 0 BGADLO COC1(CNc2c[nH+]cc(C)c2)CCCCC1 ZINC000319740549 174005964 /nfs/dbraw/zinc/00/59/64/174005964.db2.gz WICABAIKIAJQLN-UHFFFAOYSA-N 1 2 234.343 3.151 20 0 BGADLO COC1(CNc2ccc(C)[nH+]c2)CCCCC1 ZINC000319772562 174005740 /nfs/dbraw/zinc/00/57/40/174005740.db2.gz YNYQQSZNFWZXMA-UHFFFAOYSA-N 1 2 234.343 3.151 20 0 BGADLO Cc1occc1C[NH2+]C(C)(C)c1nccs1 ZINC000321456129 387210775 /nfs/dbraw/zinc/21/07/75/387210775.db2.gz GFBUYOIACCQESQ-UHFFFAOYSA-N 1 2 236.340 3.069 20 0 BGADLO Cc1occc1CNc1ccc(C)[nH+]c1C ZINC000321475254 387242560 /nfs/dbraw/zinc/24/25/60/387242560.db2.gz IGRGYPIXDSUWOJ-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+]Cc2ccoc2C)s1 ZINC000321491527 387258232 /nfs/dbraw/zinc/25/82/32/387258232.db2.gz GCPOOUOQUSYCJH-SECBINFHSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cnc([C@H](C)[NH2+]Cc2ccoc2C)s1 ZINC000321491528 387259099 /nfs/dbraw/zinc/25/90/99/387259099.db2.gz GCPOOUOQUSYCJH-VIFPVBQESA-N 1 2 236.340 3.204 20 0 BGADLO Cc1occc1CNc1ccc([NH+](C)C)cc1 ZINC000321492527 636648125 /nfs/dbraw/zinc/64/81/25/636648125.db2.gz KMRXHGUOWUZUMF-UHFFFAOYSA-N 1 2 230.311 3.266 20 0 BGADLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[C@H]1C ZINC000321762797 387302837 /nfs/dbraw/zinc/30/28/37/387302837.db2.gz CVCPAHXERKDCGB-BZPMIXESSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[C@H]1C ZINC000321762799 259480258 /nfs/dbraw/zinc/48/02/58/259480258.db2.gz CVCPAHXERKDCGB-DYEKYZERSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[C@H]1C ZINC000321762801 387303531 /nfs/dbraw/zinc/30/35/31/387303531.db2.gz CVCPAHXERKDCGB-MBNYWOFBSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[C@H]1C ZINC000321762803 387303513 /nfs/dbraw/zinc/30/35/13/387303513.db2.gz CVCPAHXERKDCGB-YRGRVCCFSA-N 1 2 245.370 3.138 20 0 BGADLO CC[C@H](Nc1ccc(C)[nH+]c1)[C@@H]1C[C@@H]1C ZINC000321766499 387301487 /nfs/dbraw/zinc/30/14/87/387301487.db2.gz DPVFVBPFQCLYFO-BIMULSAOSA-N 1 2 204.317 3.237 20 0 BGADLO CC[C@H](Nc1ccc(C)[nH+]c1)[C@H]1C[C@H]1C ZINC000321766500 387300663 /nfs/dbraw/zinc/30/06/63/387300663.db2.gz DPVFVBPFQCLYFO-ICCXJUOJSA-N 1 2 204.317 3.237 20 0 BGADLO CC[C@H](Nc1ccc(C)[nH+]c1)[C@@H]1C[C@H]1C ZINC000321766502 387300611 /nfs/dbraw/zinc/30/06/11/387300611.db2.gz DPVFVBPFQCLYFO-WQAKAFBOSA-N 1 2 204.317 3.237 20 0 BGADLO CC[C@H](Nc1ccc(C)[nH+]c1)[C@H]1C[C@@H]1C ZINC000321766504 387301546 /nfs/dbraw/zinc/30/15/46/387301546.db2.gz DPVFVBPFQCLYFO-XDTLVQLUSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1ccc(N[C@H](C)[C@@H]2C[C@H]2C)c(C)[nH+]1 ZINC000322001401 387346510 /nfs/dbraw/zinc/34/65/10/387346510.db2.gz GWIBIYCGAXKMBB-HLUHBDAQSA-N 1 2 204.317 3.155 20 0 BGADLO Cc1ccc(N[C@H](C)[C@@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000322001402 387346910 /nfs/dbraw/zinc/34/69/10/387346910.db2.gz GWIBIYCGAXKMBB-MKPLZMMCSA-N 1 2 204.317 3.155 20 0 BGADLO Cc1ccc(N[C@H](C)[C@H]2C[C@H]2C)c(C)[nH+]1 ZINC000322001403 387346355 /nfs/dbraw/zinc/34/63/55/387346355.db2.gz GWIBIYCGAXKMBB-UISBYWKRSA-N 1 2 204.317 3.155 20 0 BGADLO Cc1ccc(N[C@H](C)[C@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000322001404 387346617 /nfs/dbraw/zinc/34/66/17/387346617.db2.gz GWIBIYCGAXKMBB-XRNSZHNASA-N 1 2 204.317 3.155 20 0 BGADLO CCC[C@@H]([NH2+]CC(F)(F)F)C1CCC1 ZINC000322496969 490377433 /nfs/dbraw/zinc/37/74/33/490377433.db2.gz BICLGOHLRMPICM-SECBINFHSA-N 1 2 209.255 3.107 20 0 BGADLO CCC[C@H]([NH2+]CC(F)(F)F)C1CCC1 ZINC000322496972 388436447 /nfs/dbraw/zinc/43/64/47/388436447.db2.gz BICLGOHLRMPICM-VIFPVBQESA-N 1 2 209.255 3.107 20 0 BGADLO CC[C@@H](Nc1ccc(C)[nH+]c1)C1CCC1 ZINC000322763359 388446091 /nfs/dbraw/zinc/44/60/91/388446091.db2.gz DHMVQEVNDANIGR-CYBMUJFWSA-N 1 2 204.317 3.381 20 0 BGADLO CC[C@H](Nc1ccc(C)[nH+]c1)C1CCC1 ZINC000322763361 388446398 /nfs/dbraw/zinc/44/63/98/388446398.db2.gz DHMVQEVNDANIGR-ZDUSSCGKSA-N 1 2 204.317 3.381 20 0 BGADLO CC[C@@H](Nc1c[nH+]cc(C)c1)C1CCC1 ZINC000322874974 388449222 /nfs/dbraw/zinc/44/92/22/388449222.db2.gz XEFGAZVZUCIUQL-CYBMUJFWSA-N 1 2 204.317 3.381 20 0 BGADLO CC[C@H](Nc1c[nH+]cc(C)c1)C1CCC1 ZINC000322874975 388449470 /nfs/dbraw/zinc/44/94/70/388449470.db2.gz XEFGAZVZUCIUQL-ZDUSSCGKSA-N 1 2 204.317 3.381 20 0 BGADLO CC[C@@](C)(CNc1ccc2ccccc2[nH+]1)OC ZINC000323067626 385183728 /nfs/dbraw/zinc/18/37/28/385183728.db2.gz VOTDCMNUUZXHDK-HNNXBMFYSA-N 1 2 244.338 3.462 20 0 BGADLO CC[C@](C)(CNc1ccc2ccccc2[nH+]1)OC ZINC000323067627 385183813 /nfs/dbraw/zinc/18/38/13/385183813.db2.gz VOTDCMNUUZXHDK-OAHLLOKOSA-N 1 2 244.338 3.462 20 0 BGADLO COc1ccc(NC(C2CCC2)C2CCC2)[nH+]c1 ZINC000324721544 537920001 /nfs/dbraw/zinc/92/00/01/537920001.db2.gz GUGPHWWWGHOEHU-UHFFFAOYSA-N 1 2 246.354 3.471 20 0 BGADLO Cc1cc(NC(C2CCC2)C2CCC2)nc[nH+]1 ZINC000324729982 178153165 /nfs/dbraw/zinc/15/31/65/178153165.db2.gz JBNPFWRFGSSMGZ-UHFFFAOYSA-N 1 2 231.343 3.166 20 0 BGADLO CCC[C@@H](Nc1cc(C)[nH+]cn1)C1CCC1 ZINC000324747762 262795347 /nfs/dbraw/zinc/79/53/47/262795347.db2.gz QSPABPOHSMNZBV-GFCCVEGCSA-N 1 2 219.332 3.166 20 0 BGADLO CCC[C@H](Nc1cc(C)[nH+]cn1)C1CCC1 ZINC000324747763 323152658 /nfs/dbraw/zinc/15/26/58/323152658.db2.gz QSPABPOHSMNZBV-LBPRGKRZSA-N 1 2 219.332 3.166 20 0 BGADLO Cc1nc(NC(C2CCC2)C2CCC2)cc[nH+]1 ZINC000324748005 180199444 /nfs/dbraw/zinc/19/94/44/180199444.db2.gz QVAYDBLOPRZGST-UHFFFAOYSA-N 1 2 231.343 3.166 20 0 BGADLO CCc1cc(N[C@H](C2CC2)C2CCC2)nc[nH+]1 ZINC000324748285 490086291 /nfs/dbraw/zinc/08/62/91/490086291.db2.gz QZDUUJLIKICIOI-AWEZNQCLSA-N 1 2 231.343 3.030 20 0 BGADLO CCc1cc(N[C@@H](C2CC2)C2CCC2)nc[nH+]1 ZINC000324748286 490086284 /nfs/dbraw/zinc/08/62/84/490086284.db2.gz QZDUUJLIKICIOI-CQSZACIVSA-N 1 2 231.343 3.030 20 0 BGADLO CCC[C@@H](Nc1cc[nH+]c(C)n1)C1CCC1 ZINC000324751229 262795249 /nfs/dbraw/zinc/79/52/49/262795249.db2.gz SLOCUTRFMWAOLB-GFCCVEGCSA-N 1 2 219.332 3.166 20 0 BGADLO CCC[C@H](Nc1cc[nH+]c(C)n1)C1CCC1 ZINC000324751230 262795459 /nfs/dbraw/zinc/79/54/59/262795459.db2.gz SLOCUTRFMWAOLB-LBPRGKRZSA-N 1 2 219.332 3.166 20 0 BGADLO c1ccc(N[C@@H](C2CC2)C2CCC2)[nH+]c1 ZINC000324807403 262795871 /nfs/dbraw/zinc/79/58/71/262795871.db2.gz RHELADLCSYZSNL-CYBMUJFWSA-N 1 2 202.301 3.072 20 0 BGADLO c1ccc(N[C@H](C2CC2)C2CCC2)[nH+]c1 ZINC000324807410 387526877 /nfs/dbraw/zinc/52/68/77/387526877.db2.gz RHELADLCSYZSNL-ZDUSSCGKSA-N 1 2 202.301 3.072 20 0 BGADLO COc1ccc[nH+]c1N[C@@H](C1CC1)C1CCC1 ZINC000324848237 326419018 /nfs/dbraw/zinc/41/90/18/326419018.db2.gz FCMRBIQTTWTAJP-CYBMUJFWSA-N 1 2 232.327 3.081 20 0 BGADLO COc1ccc[nH+]c1N[C@H](C1CC1)C1CCC1 ZINC000324848239 388389298 /nfs/dbraw/zinc/38/92/98/388389298.db2.gz FCMRBIQTTWTAJP-ZDUSSCGKSA-N 1 2 232.327 3.081 20 0 BGADLO COc1ccc(N[C@H](C2CC2)C2CCC2)[nH+]c1 ZINC000324904572 487642561 /nfs/dbraw/zinc/64/25/61/487642561.db2.gz OPPOJJQFIRYNKA-AWEZNQCLSA-N 1 2 232.327 3.081 20 0 BGADLO COc1ccc(N[C@@H](C2CC2)C2CCC2)[nH+]c1 ZINC000324904574 487642598 /nfs/dbraw/zinc/64/25/98/487642598.db2.gz OPPOJJQFIRYNKA-CQSZACIVSA-N 1 2 232.327 3.081 20 0 BGADLO CC[C@@H](Nc1ccc(OC)c[nH+]1)C1CCC1 ZINC000325019792 487653345 /nfs/dbraw/zinc/65/33/45/487653345.db2.gz IBSHYKJGVCSKMV-GFCCVEGCSA-N 1 2 220.316 3.081 20 0 BGADLO CC[C@H](Nc1ccc(OC)c[nH+]1)C1CCC1 ZINC000325019794 487654134 /nfs/dbraw/zinc/65/41/34/487654134.db2.gz IBSHYKJGVCSKMV-LBPRGKRZSA-N 1 2 220.316 3.081 20 0 BGADLO Cc1ccc(NC[C@@]2(C)CCCS2)c[nH+]1 ZINC000327862830 487582674 /nfs/dbraw/zinc/58/26/74/487582674.db2.gz IKSAUIYDCRGXSA-GFCCVEGCSA-N 1 2 222.357 3.088 20 0 BGADLO Cc1ccc(NC[C@]2(C)CCCS2)c[nH+]1 ZINC000327862831 487582706 /nfs/dbraw/zinc/58/27/06/487582706.db2.gz IKSAUIYDCRGXSA-LBPRGKRZSA-N 1 2 222.357 3.088 20 0 BGADLO Cc1c[nH+]cc(NC[C@@]2(C)CCCS2)c1 ZINC000327962136 487591232 /nfs/dbraw/zinc/59/12/32/487591232.db2.gz BCADTTRVMZPBDF-GFCCVEGCSA-N 1 2 222.357 3.088 20 0 BGADLO Cc1c[nH+]cc(NC[C@]2(C)CCCS2)c1 ZINC000327962137 487590674 /nfs/dbraw/zinc/59/06/74/487590674.db2.gz BCADTTRVMZPBDF-LBPRGKRZSA-N 1 2 222.357 3.088 20 0 BGADLO Cc1[nH+]cccc1NCc1cccc(O)c1Cl ZINC000328330600 180226309 /nfs/dbraw/zinc/22/63/09/180226309.db2.gz JEKGUTFFPBQXTD-UHFFFAOYSA-N 1 2 248.713 3.361 20 0 BGADLO Cc1nc(NCCC(C)(C)C2CC2)cc[nH+]1 ZINC000328481440 180197978 /nfs/dbraw/zinc/19/79/78/180197978.db2.gz KQEGJEIOWMGMSA-UHFFFAOYSA-N 1 2 219.332 3.023 20 0 BGADLO CC(C)(CCNc1cccc[nH+]1)C1CC1 ZINC000328500293 188161903 /nfs/dbraw/zinc/16/19/03/188161903.db2.gz TWJBXNWODFPYCO-UHFFFAOYSA-N 1 2 204.317 3.320 20 0 BGADLO CCc1cc(NCCC(C)(C)C2CC2)nc[nH+]1 ZINC000328500953 388417322 /nfs/dbraw/zinc/41/73/22/388417322.db2.gz UKXMWNOBJUOTRZ-UHFFFAOYSA-N 1 2 233.359 3.277 20 0 BGADLO Cc1[nH]c2ccc(NC(=O)CCC(C)C)cc2[nH+]1 ZINC000330504088 180094246 /nfs/dbraw/zinc/09/42/46/180094246.db2.gz DIAWPRNWYCCVGM-UHFFFAOYSA-N 1 2 245.326 3.246 20 0 BGADLO CCC[C@@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000330680158 169353394 /nfs/dbraw/zinc/35/33/94/169353394.db2.gz NOXLZRNBWYULCI-SECBINFHSA-N 1 2 245.326 3.246 20 0 BGADLO CCC[C@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000330680159 386827483 /nfs/dbraw/zinc/82/74/83/386827483.db2.gz NOXLZRNBWYULCI-VIFPVBQESA-N 1 2 245.326 3.246 20 0 BGADLO CC[C@@H](C)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000331067205 386953585 /nfs/dbraw/zinc/95/35/85/386953585.db2.gz YZFHSDSICXVZLV-SECBINFHSA-N 1 2 245.326 3.246 20 0 BGADLO CC[C@H](C)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000331067206 171262633 /nfs/dbraw/zinc/26/26/33/171262633.db2.gz YZFHSDSICXVZLV-VIFPVBQESA-N 1 2 245.326 3.246 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000334152899 385092928 /nfs/dbraw/zinc/09/29/28/385092928.db2.gz MYMRCMZWUAZNOH-BXKDBHETSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[C@H](C)C1 ZINC000334152904 385093026 /nfs/dbraw/zinc/09/30/26/385093026.db2.gz MYMRCMZWUAZNOH-CABZTGNLSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H]1CC[C@H](C)C1 ZINC000334152906 385093549 /nfs/dbraw/zinc/09/35/49/385093549.db2.gz MYMRCMZWUAZNOH-JOYOIKCWSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H]1CC[C@@H](C)C1 ZINC000334152907 179419063 /nfs/dbraw/zinc/41/90/63/179419063.db2.gz MYMRCMZWUAZNOH-SKDRFNHKSA-N 1 2 247.342 3.009 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000334153272 634453182 /nfs/dbraw/zinc/45/31/82/634453182.db2.gz NXKUFBQKNYVXOP-BXUZGUMPSA-N 1 2 241.338 3.138 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000334153273 634452870 /nfs/dbraw/zinc/45/28/70/634452870.db2.gz NXKUFBQKNYVXOP-RISCZKNCSA-N 1 2 241.338 3.138 20 0 BGADLO CC1=CC[N@@H+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000334198768 352790873 /nfs/dbraw/zinc/79/08/73/352790873.db2.gz MDXUJGKFADEARX-LLVKDONJSA-N 1 2 249.358 3.080 20 0 BGADLO CC1=CC[N@H+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000334198768 352790870 /nfs/dbraw/zinc/79/08/70/352790870.db2.gz MDXUJGKFADEARX-LLVKDONJSA-N 1 2 249.358 3.080 20 0 BGADLO CC1=CC[N@@H+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000334198770 352790421 /nfs/dbraw/zinc/79/04/21/352790421.db2.gz MDXUJGKFADEARX-NSHDSACASA-N 1 2 249.358 3.080 20 0 BGADLO CC1=CC[N@H+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000334198770 352790420 /nfs/dbraw/zinc/79/04/20/352790420.db2.gz MDXUJGKFADEARX-NSHDSACASA-N 1 2 249.358 3.080 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ncc(-c3cccs3)o2)[C@@H]1C ZINC000334200356 352793271 /nfs/dbraw/zinc/79/32/71/352793271.db2.gz QKEHAKDDVKLBDI-NXEZZACHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)[C@@H]1C ZINC000334200356 352793269 /nfs/dbraw/zinc/79/32/69/352793269.db2.gz QKEHAKDDVKLBDI-NXEZZACHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@H]1C[N@@H+](Cc2ncc(-c3cccs3)o2)[C@H]1C ZINC000334200361 352793086 /nfs/dbraw/zinc/79/30/86/352793086.db2.gz QKEHAKDDVKLBDI-UWVGGRQHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)[C@H]1C ZINC000334200361 352793083 /nfs/dbraw/zinc/79/30/83/352793083.db2.gz QKEHAKDDVKLBDI-UWVGGRQHSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000334200362 352793392 /nfs/dbraw/zinc/79/33/92/352793392.db2.gz QKEHAKDDVKLBDI-VHSXEESVSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000334200362 352793389 /nfs/dbraw/zinc/79/33/89/352793389.db2.gz QKEHAKDDVKLBDI-VHSXEESVSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ncc(-c3cccs3)o2)[C@H]1C ZINC000334200363 352793362 /nfs/dbraw/zinc/79/33/62/352793362.db2.gz QKEHAKDDVKLBDI-ZJUUUORDSA-N 1 2 248.351 3.243 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ncc(-c3cccs3)o2)[C@H]1C ZINC000334200363 352793360 /nfs/dbraw/zinc/79/33/60/352793360.db2.gz QKEHAKDDVKLBDI-ZJUUUORDSA-N 1 2 248.351 3.243 20 0 BGADLO Fc1cncc(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000334204027 352797916 /nfs/dbraw/zinc/79/79/16/352797916.db2.gz VGVGLQCXTDPXHJ-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cncc(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000334204027 352797913 /nfs/dbraw/zinc/79/79/13/352797913.db2.gz VGVGLQCXTDPXHJ-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cncc(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000334204029 352797681 /nfs/dbraw/zinc/79/76/81/352797681.db2.gz VGVGLQCXTDPXHJ-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cncc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000334204029 352797679 /nfs/dbraw/zinc/79/76/79/352797679.db2.gz VGVGLQCXTDPXHJ-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccc2c(c1)[C@H]([NH2+]C1(C(F)F)CC1)CC2 ZINC000334205332 541412527 /nfs/dbraw/zinc/41/25/27/541412527.db2.gz ULCSIEHHHNOJSB-LLVKDONJSA-N 1 2 241.256 3.200 20 0 BGADLO Fc1ccc2c(c1)[C@@H]([NH2+]C1(C(F)F)CC1)CC2 ZINC000334205333 541412591 /nfs/dbraw/zinc/41/25/91/541412591.db2.gz ULCSIEHHHNOJSB-NSHDSACASA-N 1 2 241.256 3.200 20 0 BGADLO FC1(F)CC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000334228051 352844510 /nfs/dbraw/zinc/84/45/10/352844510.db2.gz GNDWLGKGGFORER-UHFFFAOYSA-N 1 2 236.265 3.009 20 0 BGADLO FC1(F)CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000334228051 352844509 /nfs/dbraw/zinc/84/45/09/352844509.db2.gz GNDWLGKGGFORER-UHFFFAOYSA-N 1 2 236.265 3.009 20 0 BGADLO CCc1cccc(N[C@@H]2CCn3cc[nH+]c32)c1 ZINC000334228709 384399133 /nfs/dbraw/zinc/39/91/33/384399133.db2.gz OUGIVGFFKIYOCK-CYBMUJFWSA-N 1 2 227.311 3.002 20 0 BGADLO CCc1cccc(N[C@H]2CCn3cc[nH+]c32)c1 ZINC000334228710 384399958 /nfs/dbraw/zinc/39/99/58/384399958.db2.gz OUGIVGFFKIYOCK-ZDUSSCGKSA-N 1 2 227.311 3.002 20 0 BGADLO Cc1ccc(NC(=O)NC(C)(C)C2CC2)c(C)[nH+]1 ZINC000334230399 352847864 /nfs/dbraw/zinc/84/78/64/352847864.db2.gz RWLXXVAODRIHPN-UHFFFAOYSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc2c(c1)C[N@H+](Cc1cncc(F)c1)C2 ZINC000334235159 352852643 /nfs/dbraw/zinc/85/26/43/352852643.db2.gz GYSZVJDZCCSVCE-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1ccc2c(c1)C[N@@H+](Cc1cncc(F)c1)C2 ZINC000334235159 352852639 /nfs/dbraw/zinc/85/26/39/352852639.db2.gz GYSZVJDZCCSVCE-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccco1)CO2 ZINC000334287893 135339758 /nfs/dbraw/zinc/33/97/58/135339758.db2.gz DKQNNDLHFJYRHE-GFCCVEGCSA-N 1 2 249.697 3.156 20 0 BGADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccco1)CO2 ZINC000334287894 135339796 /nfs/dbraw/zinc/33/97/96/135339796.db2.gz DKQNNDLHFJYRHE-LBPRGKRZSA-N 1 2 249.697 3.156 20 0 BGADLO Cc1csc(C(=O)Nc2c(C)cc[nH+]c2C)c1 ZINC000334295741 135342071 /nfs/dbraw/zinc/34/20/71/135342071.db2.gz XHOUDZLNAUQVIN-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO FC(F)(F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000334303616 132390396 /nfs/dbraw/zinc/39/03/96/132390396.db2.gz BSVGWRRWZLVUJD-UHFFFAOYSA-N 1 2 244.260 3.250 20 0 BGADLO FC(F)[C@H]1C[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000334307108 135348761 /nfs/dbraw/zinc/34/87/61/135348761.db2.gz HIOKFDNZJNTVBL-ONGXEEELSA-N 1 2 234.249 3.300 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)o1 ZINC000334316453 136225212 /nfs/dbraw/zinc/22/52/12/136225212.db2.gz PADBWIJJSWFNCI-CMPLNLGQSA-N 1 2 245.326 3.039 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)o1 ZINC000334316453 136225211 /nfs/dbraw/zinc/22/52/11/136225211.db2.gz PADBWIJJSWFNCI-CMPLNLGQSA-N 1 2 245.326 3.039 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)o1 ZINC000334316456 136225332 /nfs/dbraw/zinc/22/53/32/136225332.db2.gz PADBWIJJSWFNCI-JQWIXIFHSA-N 1 2 245.326 3.039 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)o1 ZINC000334316456 136225331 /nfs/dbraw/zinc/22/53/31/136225331.db2.gz PADBWIJJSWFNCI-JQWIXIFHSA-N 1 2 245.326 3.039 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)o1 ZINC000334316457 136225389 /nfs/dbraw/zinc/22/53/89/136225389.db2.gz PADBWIJJSWFNCI-PWSUYJOCSA-N 1 2 245.326 3.039 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cn[nH]c32)o1 ZINC000334316457 136225388 /nfs/dbraw/zinc/22/53/88/136225388.db2.gz PADBWIJJSWFNCI-PWSUYJOCSA-N 1 2 245.326 3.039 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)o1 ZINC000334316459 136225220 /nfs/dbraw/zinc/22/52/20/136225220.db2.gz PADBWIJJSWFNCI-ZYHUDNBSSA-N 1 2 245.326 3.039 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cn[nH]c32)o1 ZINC000334316459 136225219 /nfs/dbraw/zinc/22/52/19/136225219.db2.gz PADBWIJJSWFNCI-ZYHUDNBSSA-N 1 2 245.326 3.039 20 0 BGADLO Fc1ccc2c(c1)CC[C@H]2[NH2+]C1(C(F)F)CC1 ZINC000334341547 385538516 /nfs/dbraw/zinc/53/85/16/385538516.db2.gz OPCLNXRKTQIJKQ-LLVKDONJSA-N 1 2 241.256 3.200 20 0 BGADLO Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1(C(F)F)CC1 ZINC000334341548 398199204 /nfs/dbraw/zinc/19/92/04/398199204.db2.gz OPCLNXRKTQIJKQ-NSHDSACASA-N 1 2 241.256 3.200 20 0 BGADLO Cn1cc[nH+]c1CSc1cccc(Cl)c1 ZINC000334341799 398199170 /nfs/dbraw/zinc/19/91/70/398199170.db2.gz JOKBVZNZMAKLJC-UHFFFAOYSA-N 1 2 238.743 3.366 20 0 BGADLO Fc1cccc2c1CC[C@H]2[NH2+]C1(C(F)F)CC1 ZINC000334349160 135368000 /nfs/dbraw/zinc/36/80/00/135368000.db2.gz ZVWJTIDADMXAIP-LLVKDONJSA-N 1 2 241.256 3.200 20 0 BGADLO Fc1cccc2c1CC[C@@H]2[NH2+]C1(C(F)F)CC1 ZINC000334349164 135367672 /nfs/dbraw/zinc/36/76/72/135367672.db2.gz ZVWJTIDADMXAIP-NSHDSACASA-N 1 2 241.256 3.200 20 0 BGADLO Cc1ccc(N[C@@H](C)c2ccncc2F)c[nH+]1 ZINC000334351859 352986053 /nfs/dbraw/zinc/98/60/53/352986053.db2.gz WUAOWTHJQWLVPT-JTQLQIEISA-N 1 2 231.274 3.097 20 0 BGADLO Cc1ccc(N[C@H](C)c2ccncc2F)c[nH+]1 ZINC000334351860 352985829 /nfs/dbraw/zinc/98/58/29/352985829.db2.gz WUAOWTHJQWLVPT-SNVBAGLBSA-N 1 2 231.274 3.097 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000334376327 135376597 /nfs/dbraw/zinc/37/65/97/135376597.db2.gz FAANESNCWVIRJE-BXKDBHETSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000334376329 135376110 /nfs/dbraw/zinc/37/61/10/135376110.db2.gz FAANESNCWVIRJE-CABZTGNLSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000334376330 135376086 /nfs/dbraw/zinc/37/60/86/135376086.db2.gz FAANESNCWVIRJE-JOYOIKCWSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000334376333 135376621 /nfs/dbraw/zinc/37/66/21/135376621.db2.gz FAANESNCWVIRJE-SKDRFNHKSA-N 1 2 232.327 3.073 20 0 BGADLO FC1(F)CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000334378783 135378819 /nfs/dbraw/zinc/37/88/19/135378819.db2.gz GZVKTQQDEGWOSP-UHFFFAOYSA-N 1 2 236.265 3.009 20 0 BGADLO FC1(F)CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000334378783 135378818 /nfs/dbraw/zinc/37/88/18/135378818.db2.gz GZVKTQQDEGWOSP-UHFFFAOYSA-N 1 2 236.265 3.009 20 0 BGADLO Cc1nc(N[C@@H]2CSc3ccccc32)cc[nH+]1 ZINC000334407315 353088786 /nfs/dbraw/zinc/08/87/86/353088786.db2.gz IFLQPFVABROXLJ-LLVKDONJSA-N 1 2 243.335 3.044 20 0 BGADLO Cc1nc(N[C@H]2CSc3ccccc32)cc[nH+]1 ZINC000334407316 353088650 /nfs/dbraw/zinc/08/86/50/353088650.db2.gz IFLQPFVABROXLJ-NSHDSACASA-N 1 2 243.335 3.044 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)c1ccccc1F ZINC000334444531 386068446 /nfs/dbraw/zinc/06/84/46/386068446.db2.gz GVLQNKHHRMTZMM-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000334475413 711717248 /nfs/dbraw/zinc/71/72/48/711717248.db2.gz NXKUFBQKNYVXOP-FZMZJTMJSA-N 1 2 241.338 3.138 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000334475414 711717281 /nfs/dbraw/zinc/71/72/81/711717281.db2.gz NXKUFBQKNYVXOP-SMDDNHRTSA-N 1 2 241.338 3.138 20 0 BGADLO Cc1nnc([C@@H](C)[N@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000334480216 386291956 /nfs/dbraw/zinc/29/19/56/386291956.db2.gz TYMZQZFLKNBRIO-NXEZZACHSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1nnc([C@@H](C)[N@@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000334480216 386291953 /nfs/dbraw/zinc/29/19/53/386291953.db2.gz TYMZQZFLKNBRIO-NXEZZACHSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1nnc([C@H](C)[N@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000334480217 386291816 /nfs/dbraw/zinc/29/18/16/386291816.db2.gz TYMZQZFLKNBRIO-UWVGGRQHSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1nnc([C@H](C)[N@@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000334480217 386291810 /nfs/dbraw/zinc/29/18/10/386291810.db2.gz TYMZQZFLKNBRIO-UWVGGRQHSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1nnc([C@@H](C)[N@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000334480218 386291453 /nfs/dbraw/zinc/29/14/53/386291453.db2.gz TYMZQZFLKNBRIO-VHSXEESVSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1nnc([C@@H](C)[N@@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000334480218 386291451 /nfs/dbraw/zinc/29/14/51/386291451.db2.gz TYMZQZFLKNBRIO-VHSXEESVSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1nnc([C@H](C)[N@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000334480219 386291392 /nfs/dbraw/zinc/29/13/92/386291392.db2.gz TYMZQZFLKNBRIO-ZJUUUORDSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1nnc([C@H](C)[N@@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000334480219 386291390 /nfs/dbraw/zinc/29/13/90/386291390.db2.gz TYMZQZFLKNBRIO-ZJUUUORDSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1cc(C)c(NC(=O)C2CC(C)(C)C2)c(C)[nH+]1 ZINC000334481144 386300135 /nfs/dbraw/zinc/30/01/35/386300135.db2.gz VBQMFHNRILCRCH-UHFFFAOYSA-N 1 2 246.354 3.382 20 0 BGADLO CC[C@@H]1CCCN1C(=O)Nc1c(C)cc[nH+]c1C ZINC000334502765 353338601 /nfs/dbraw/zinc/33/86/01/353338601.db2.gz MSFXQRUEDZPSPQ-GFCCVEGCSA-N 1 2 247.342 3.105 20 0 BGADLO CC[C@H]1CCCN1C(=O)Nc1c(C)cc[nH+]c1C ZINC000334502766 353338514 /nfs/dbraw/zinc/33/85/14/353338514.db2.gz MSFXQRUEDZPSPQ-LBPRGKRZSA-N 1 2 247.342 3.105 20 0 BGADLO CCc1nc(C[NH+]2CC3(C2)CCCC3)cs1 ZINC000334512266 353525846 /nfs/dbraw/zinc/52/58/46/353525846.db2.gz DXBIOTDRVJCSQF-UHFFFAOYSA-N 1 2 236.384 3.082 20 0 BGADLO Cc1ccc(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC000334539362 136231065 /nfs/dbraw/zinc/23/10/65/136231065.db2.gz ADQSPDKFNPFYPK-JJLQDPRZSA-N 1 2 244.338 3.073 20 0 BGADLO Cc1ccc(NC(=O)[C@@]2(C)CC=CCC2)c(C)[nH+]1 ZINC000334542728 353978388 /nfs/dbraw/zinc/97/83/88/353978388.db2.gz YUWZDRPOTOEFFH-HNNXBMFYSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1ccc(NC(=O)[C@]2(C)CC=CCC2)c(C)[nH+]1 ZINC000334542736 353978118 /nfs/dbraw/zinc/97/81/18/353978118.db2.gz YUWZDRPOTOEFFH-OAHLLOKOSA-N 1 2 244.338 3.383 20 0 BGADLO CCc1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1F ZINC000334543056 353978166 /nfs/dbraw/zinc/97/81/66/353978166.db2.gz CQHOWUFIPSGRMI-CYBMUJFWSA-N 1 2 245.301 3.142 20 0 BGADLO CCc1ccc(N[C@H]2CCn3cc[nH+]c32)cc1F ZINC000334543065 536190368 /nfs/dbraw/zinc/19/03/68/536190368.db2.gz CQHOWUFIPSGRMI-ZDUSSCGKSA-N 1 2 245.301 3.142 20 0 BGADLO Cc1coc(SCc2ccc(C)[nH+]c2C)n1 ZINC000334551362 353991693 /nfs/dbraw/zinc/99/16/93/353991693.db2.gz MFECGLOCZCGAKH-UHFFFAOYSA-N 1 2 234.324 3.287 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@H](C)C2CCC2)c(C)[nH+]1 ZINC000334553380 353995972 /nfs/dbraw/zinc/99/59/72/353995972.db2.gz MUIOEYCTQQYYCD-LLVKDONJSA-N 1 2 246.354 3.382 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@@H](C)C2CCC2)c(C)[nH+]1 ZINC000334553381 353996132 /nfs/dbraw/zinc/99/61/32/353996132.db2.gz MUIOEYCTQQYYCD-NSHDSACASA-N 1 2 246.354 3.382 20 0 BGADLO Cc1ccc(NC(=O)[C@@H](C)C2CCC2)c(C)[nH+]1 ZINC000334563588 354080698 /nfs/dbraw/zinc/08/06/98/354080698.db2.gz HILQINOFEDIOLV-JTQLQIEISA-N 1 2 232.327 3.073 20 0 BGADLO Cc1ccc(NC(=O)[C@H](C)C2CCC2)c(C)[nH+]1 ZINC000334563589 354080783 /nfs/dbraw/zinc/08/07/83/354080783.db2.gz HILQINOFEDIOLV-SNVBAGLBSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1ccc(C(=O)Nc2c(C)cc[nH+]c2C)cc1 ZINC000334568936 354093884 /nfs/dbraw/zinc/09/38/84/354093884.db2.gz DVIWLEGYZXMNHU-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO Cc1ccsc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000334569811 354095462 /nfs/dbraw/zinc/09/54/62/354095462.db2.gz YXZVUNLPYIOCBE-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO Cc1csc(C[N@H+]2Cc3ccc(C)cc3C2)n1 ZINC000334601667 354280916 /nfs/dbraw/zinc/28/09/16/354280916.db2.gz LQUBGFXTDZJDRK-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO Cc1csc(C[N@@H+]2Cc3ccc(C)cc3C2)n1 ZINC000334601667 354280913 /nfs/dbraw/zinc/28/09/13/354280913.db2.gz LQUBGFXTDZJDRK-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO Cc1occc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000334610082 354317829 /nfs/dbraw/zinc/31/78/29/354317829.db2.gz QUVNBEWRPJIQJO-AWEZNQCLSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1occc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000334610082 354317827 /nfs/dbraw/zinc/31/78/27/354317827.db2.gz QUVNBEWRPJIQJO-AWEZNQCLSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1occc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000334610084 135785102 /nfs/dbraw/zinc/78/51/02/135785102.db2.gz QUVNBEWRPJIQJO-CQSZACIVSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1occc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000334610084 135785101 /nfs/dbraw/zinc/78/51/01/135785101.db2.gz QUVNBEWRPJIQJO-CQSZACIVSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)CC1CCCC1 ZINC000334644685 354403155 /nfs/dbraw/zinc/40/31/55/354403155.db2.gz DXBJKRJTJZNFIS-UHFFFAOYSA-N 1 2 232.327 3.217 20 0 BGADLO CCc1cnc(C[NH+]2CC3(C2)CCCC3)s1 ZINC000334644763 345803488 /nfs/dbraw/zinc/80/34/88/345803488.db2.gz JTTLJRXRSIYGBY-UHFFFAOYSA-N 1 2 236.384 3.082 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)CC(C)(C)C ZINC000334645453 354435052 /nfs/dbraw/zinc/43/50/52/354435052.db2.gz GFTTZKOQELGQAQ-UHFFFAOYSA-N 1 2 220.316 3.073 20 0 BGADLO C[C@@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)c2sccc21 ZINC000334666114 354468304 /nfs/dbraw/zinc/46/83/04/354468304.db2.gz NFDXQINBFPIYML-BXKDBHETSA-N 1 2 247.367 3.199 20 0 BGADLO C[C@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)c2sccc21 ZINC000334666115 354468328 /nfs/dbraw/zinc/46/83/28/354468328.db2.gz NFDXQINBFPIYML-CABZTGNLSA-N 1 2 247.367 3.199 20 0 BGADLO C[C@H]1CC[C@@H]([NH2+]Cc2ccn[nH]2)c2sccc21 ZINC000334666116 354468315 /nfs/dbraw/zinc/46/83/15/354468315.db2.gz NFDXQINBFPIYML-JOYOIKCWSA-N 1 2 247.367 3.199 20 0 BGADLO C[C@@H]1CC[C@H]([NH2+]Cc2ccn[nH]2)c2sccc21 ZINC000334666117 354468363 /nfs/dbraw/zinc/46/83/63/354468363.db2.gz NFDXQINBFPIYML-SKDRFNHKSA-N 1 2 247.367 3.199 20 0 BGADLO Cc1ccc(Cl)c(NCc2c[nH+]cn2C)c1C ZINC000334669750 354410927 /nfs/dbraw/zinc/41/09/27/354410927.db2.gz VORJJWYMLSWWRG-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO C/C=C/c1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000334671304 354412796 /nfs/dbraw/zinc/41/27/96/354412796.db2.gz DRJJTARQUOYALT-BAABZTOOSA-N 1 2 239.322 3.473 20 0 BGADLO C/C=C/c1ccc(N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000334671305 354412901 /nfs/dbraw/zinc/41/29/01/354412901.db2.gz DRJJTARQUOYALT-HSWBROFVSA-N 1 2 239.322 3.473 20 0 BGADLO Cn1c[nH+]cc1CSc1ccccc1Cl ZINC000334693906 354484848 /nfs/dbraw/zinc/48/48/48/354484848.db2.gz AOKWHGLUWUYRPF-UHFFFAOYSA-N 1 2 238.743 3.366 20 0 BGADLO Cc1nc(C[N@H+]2Cc3ccccc3[C@H]2C)oc1C ZINC000334695307 354486416 /nfs/dbraw/zinc/48/64/16/354486416.db2.gz ZTNRLLUYARREAI-LLVKDONJSA-N 1 2 242.322 3.368 20 0 BGADLO Cc1nc(C[N@@H+]2Cc3ccccc3[C@H]2C)oc1C ZINC000334695307 354486410 /nfs/dbraw/zinc/48/64/10/354486410.db2.gz ZTNRLLUYARREAI-LLVKDONJSA-N 1 2 242.322 3.368 20 0 BGADLO Cc1nc(C[N@H+]2Cc3ccccc3[C@@H]2C)oc1C ZINC000334695308 354486404 /nfs/dbraw/zinc/48/64/04/354486404.db2.gz ZTNRLLUYARREAI-NSHDSACASA-N 1 2 242.322 3.368 20 0 BGADLO Cc1nc(C[N@@H+]2Cc3ccccc3[C@@H]2C)oc1C ZINC000334695308 354486401 /nfs/dbraw/zinc/48/64/01/354486401.db2.gz ZTNRLLUYARREAI-NSHDSACASA-N 1 2 242.322 3.368 20 0 BGADLO CC(C)=CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000334703579 354497141 /nfs/dbraw/zinc/49/71/41/354497141.db2.gz ZGCZPTRQIJYCTC-UHFFFAOYSA-N 1 2 247.342 3.095 20 0 BGADLO Cc1cc(C)c(NC(=O)N2[C@H](C)C[C@H]2C)c(C)[nH+]1 ZINC000334706816 354500536 /nfs/dbraw/zinc/50/05/36/354500536.db2.gz VXGCTCCZMYPQRF-GHMZBOCLSA-N 1 2 247.342 3.021 20 0 BGADLO Cc1cc(C)c(NC(=O)N2[C@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000334706817 354500760 /nfs/dbraw/zinc/50/07/60/354500760.db2.gz VXGCTCCZMYPQRF-PHIMTYICSA-N 1 2 247.342 3.021 20 0 BGADLO Cc1cc(C)c(NC(=O)N2[C@@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000334706818 354501032 /nfs/dbraw/zinc/50/10/32/354501032.db2.gz VXGCTCCZMYPQRF-QWRGUYRKSA-N 1 2 247.342 3.021 20 0 BGADLO Cc1cc(NC2CCC(C(F)F)CC2)nc[nH+]1 ZINC000334721619 354521719 /nfs/dbraw/zinc/52/17/19/354521719.db2.gz KYKQXTNBIIPIGC-UHFFFAOYSA-N 1 2 241.285 3.021 20 0 BGADLO Cc1nc(NC2CCC(C(F)F)CC2)cc[nH+]1 ZINC000334721759 354521471 /nfs/dbraw/zinc/52/14/71/354521471.db2.gz NBFAMNUZZOYONA-UHFFFAOYSA-N 1 2 241.285 3.021 20 0 BGADLO CCc1nocc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000334736030 354536684 /nfs/dbraw/zinc/53/66/84/354536684.db2.gz FEZDYGRWSLPWAA-LLVKDONJSA-N 1 2 242.322 3.314 20 0 BGADLO CCc1nocc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000334736030 354536683 /nfs/dbraw/zinc/53/66/83/354536683.db2.gz FEZDYGRWSLPWAA-LLVKDONJSA-N 1 2 242.322 3.314 20 0 BGADLO CCc1nocc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000334736031 354537469 /nfs/dbraw/zinc/53/74/69/354537469.db2.gz FEZDYGRWSLPWAA-NSHDSACASA-N 1 2 242.322 3.314 20 0 BGADLO CCc1nocc1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000334736031 354537467 /nfs/dbraw/zinc/53/74/67/354537467.db2.gz FEZDYGRWSLPWAA-NSHDSACASA-N 1 2 242.322 3.314 20 0 BGADLO CC(C)(C)c1nc(C[NH+]2CC3(CC3)C2)cs1 ZINC000334743048 487551196 /nfs/dbraw/zinc/55/11/96/487551196.db2.gz QBJCIYIRKIBYNJ-UHFFFAOYSA-N 1 2 236.384 3.036 20 0 BGADLO Cc1nc(C[N@H+]2CC[C@H]2c2ccccc2)oc1C ZINC000334783004 386839957 /nfs/dbraw/zinc/83/99/57/386839957.db2.gz OEZDOFSTIRYBSP-AWEZNQCLSA-N 1 2 242.322 3.238 20 0 BGADLO Cc1nc(C[N@@H+]2CC[C@H]2c2ccccc2)oc1C ZINC000334783004 386839950 /nfs/dbraw/zinc/83/99/50/386839950.db2.gz OEZDOFSTIRYBSP-AWEZNQCLSA-N 1 2 242.322 3.238 20 0 BGADLO Cc1nc(C[N@H+]2CC[C@@H]2c2ccccc2)oc1C ZINC000334783005 386839532 /nfs/dbraw/zinc/83/95/32/386839532.db2.gz OEZDOFSTIRYBSP-CQSZACIVSA-N 1 2 242.322 3.238 20 0 BGADLO Cc1nc(C[N@@H+]2CC[C@@H]2c2ccccc2)oc1C ZINC000334783005 386839526 /nfs/dbraw/zinc/83/95/26/386839526.db2.gz OEZDOFSTIRYBSP-CQSZACIVSA-N 1 2 242.322 3.238 20 0 BGADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@H]2C)no1 ZINC000334790840 386856016 /nfs/dbraw/zinc/85/60/16/386856016.db2.gz XJERRGZEUXBSJB-LLVKDONJSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@H]2C)no1 ZINC000334790840 386856010 /nfs/dbraw/zinc/85/60/10/386856010.db2.gz XJERRGZEUXBSJB-LLVKDONJSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@@H]2C)no1 ZINC000334790843 386855695 /nfs/dbraw/zinc/85/56/95/386855695.db2.gz XJERRGZEUXBSJB-NSHDSACASA-N 1 2 228.295 3.060 20 0 BGADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@@H]2C)no1 ZINC000334790843 386855692 /nfs/dbraw/zinc/85/56/92/386855692.db2.gz XJERRGZEUXBSJB-NSHDSACASA-N 1 2 228.295 3.060 20 0 BGADLO Cc1cnccc1C[N@H+]1Cc2cccc(F)c2C1 ZINC000334791857 386857599 /nfs/dbraw/zinc/85/75/99/386857599.db2.gz JBQGFAZMZMPXBP-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cnccc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000334791857 386857597 /nfs/dbraw/zinc/85/75/97/386857597.db2.gz JBQGFAZMZMPXBP-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO CC1(C)Cc2ccsc2C[N@H+]1Cc1ccon1 ZINC000334791867 386858667 /nfs/dbraw/zinc/85/86/67/386858667.db2.gz CLWVGPFPYFNLAW-UHFFFAOYSA-N 1 2 248.351 3.073 20 0 BGADLO CC1(C)Cc2ccsc2C[N@@H+]1Cc1ccon1 ZINC000334791867 386858662 /nfs/dbraw/zinc/85/86/62/386858662.db2.gz CLWVGPFPYFNLAW-UHFFFAOYSA-N 1 2 248.351 3.073 20 0 BGADLO Cc1ccncc1C[N@H+]1Cc2cccc(F)c2C1 ZINC000334792338 386858766 /nfs/dbraw/zinc/85/87/66/386858766.db2.gz KSPLBBBOOLRMCX-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1ccncc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000334792338 386858763 /nfs/dbraw/zinc/85/87/63/386858763.db2.gz KSPLBBBOOLRMCX-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Clc1ccc2c(c1)C[N@H+](CC1=CCCOC1)C2 ZINC000334792342 386857941 /nfs/dbraw/zinc/85/79/41/386857941.db2.gz KYLIZGSIQNBLOE-UHFFFAOYSA-N 1 2 249.741 3.002 20 0 BGADLO Clc1ccc2c(c1)C[N@@H+](CC1=CCCOC1)C2 ZINC000334792342 386857937 /nfs/dbraw/zinc/85/79/37/386857937.db2.gz KYLIZGSIQNBLOE-UHFFFAOYSA-N 1 2 249.741 3.002 20 0 BGADLO Cc1nc(C[NH+]2CC3(C2)CCCCC3)cs1 ZINC000334792426 386857577 /nfs/dbraw/zinc/85/75/77/386857577.db2.gz ORVLDNUKBQMTHA-UHFFFAOYSA-N 1 2 236.384 3.218 20 0 BGADLO Cc1ncsc1C[N@H+]1Cc2cccc(F)c2C1 ZINC000334792435 386858727 /nfs/dbraw/zinc/85/87/27/386858727.db2.gz OYBGSXYLBWASNG-UHFFFAOYSA-N 1 2 248.326 3.106 20 0 BGADLO Cc1ncsc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000334792435 386858723 /nfs/dbraw/zinc/85/87/23/386858723.db2.gz OYBGSXYLBWASNG-UHFFFAOYSA-N 1 2 248.326 3.106 20 0 BGADLO Cc1ncccc1C[N@H+]1Cc2cccc(F)c2C1 ZINC000334793225 386859782 /nfs/dbraw/zinc/85/97/82/386859782.db2.gz VVNNWYNUMVMGEB-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1ncccc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000334793225 386859779 /nfs/dbraw/zinc/85/97/79/386859779.db2.gz VVNNWYNUMVMGEB-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cccnc1C[N@H+]1Cc2cccc(F)c2C1 ZINC000334793230 386859550 /nfs/dbraw/zinc/85/95/50/386859550.db2.gz VWUAKHZKAQDXSF-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cccnc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000334793230 386859548 /nfs/dbraw/zinc/85/95/48/386859548.db2.gz VWUAKHZKAQDXSF-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1occc1C[N@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000334845890 386894995 /nfs/dbraw/zinc/89/49/95/386894995.db2.gz AJKXNOVYVHPMKV-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1occc1C[N@@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000334845890 386894990 /nfs/dbraw/zinc/89/49/90/386894990.db2.gz AJKXNOVYVHPMKV-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1occc1C[N@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000334845891 386894560 /nfs/dbraw/zinc/89/45/60/386894560.db2.gz AJKXNOVYVHPMKV-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1occc1C[N@@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000334845891 386894555 /nfs/dbraw/zinc/89/45/55/386894555.db2.gz AJKXNOVYVHPMKV-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO c1cc2c(cc1NC[C@H]1CCSC1)CCC[NH2+]2 ZINC000334861130 183369644 /nfs/dbraw/zinc/36/96/44/183369644.db2.gz BYIVQBCKIHLXHF-LLVKDONJSA-N 1 2 248.395 3.210 20 0 BGADLO c1cc2c(cc1NC[C@@H]1CCSC1)CCC[NH2+]2 ZINC000334861132 135826181 /nfs/dbraw/zinc/82/61/81/135826181.db2.gz BYIVQBCKIHLXHF-NSHDSACASA-N 1 2 248.395 3.210 20 0 BGADLO c1nc(CNc2ccc3c(c2)CCC[NH2+]3)cs1 ZINC000334861614 386915533 /nfs/dbraw/zinc/91/55/33/386915533.db2.gz DITIGJKAMLLANG-UHFFFAOYSA-N 1 2 245.351 3.113 20 0 BGADLO c1cc(CNc2ccc3c(c2)CCC[NH2+]3)ccn1 ZINC000334862385 386918367 /nfs/dbraw/zinc/91/83/67/386918367.db2.gz LBTZYZXKTQFGLU-UHFFFAOYSA-N 1 2 239.322 3.052 20 0 BGADLO c1cncc(CNc2ccc3c(c2)CCC[NH2+]3)c1 ZINC000334865407 386922353 /nfs/dbraw/zinc/92/23/53/386922353.db2.gz SBCZBMMYMISHRN-UHFFFAOYSA-N 1 2 239.322 3.052 20 0 BGADLO c1ccc(CNc2ccc3c(c2)CCC[NH2+]3)nc1 ZINC000334865558 386922607 /nfs/dbraw/zinc/92/26/07/386922607.db2.gz VDMFNZKVKIWCJD-UHFFFAOYSA-N 1 2 239.322 3.052 20 0 BGADLO c1ncc(CNc2ccc3c(c2)CCC[NH2+]3)s1 ZINC000334866628 386924618 /nfs/dbraw/zinc/92/46/18/386924618.db2.gz ZEWVZZMLMGLFOJ-UHFFFAOYSA-N 1 2 245.351 3.113 20 0 BGADLO Cc1cc(CNc2cccc[nH+]2)cc(C)c1O ZINC000334923705 178044431 /nfs/dbraw/zinc/04/44/31/178044431.db2.gz KYFZOIACZCYHBI-UHFFFAOYSA-N 1 2 228.295 3.016 20 0 BGADLO Cc1cnn(Cc2ccc(C(C)C)[nH+]c2C)c1 ZINC000334948993 387111861 /nfs/dbraw/zinc/11/18/61/387111861.db2.gz ALSQBILBBCVSGU-UHFFFAOYSA-N 1 2 229.327 3.067 20 0 BGADLO Cc1ccc(NC(=O)C23CCC(CC2)C3)c(C)[nH+]1 ZINC000334961990 387040811 /nfs/dbraw/zinc/04/08/11/387040811.db2.gz YYSLNRNQQVYPOE-UHFFFAOYSA-N 1 2 244.338 3.217 20 0 BGADLO c1ccc(NC[C@H]2CC23CCSCC3)[nH+]c1 ZINC000334975153 387061818 /nfs/dbraw/zinc/06/18/18/387061818.db2.gz PJMUIPSLKVKXFM-LLVKDONJSA-N 1 2 234.368 3.027 20 0 BGADLO c1ccc(NC[C@@H]2CC23CCSCC3)[nH+]c1 ZINC000334975154 387061843 /nfs/dbraw/zinc/06/18/43/387061843.db2.gz PJMUIPSLKVKXFM-NSHDSACASA-N 1 2 234.368 3.027 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+]2CCC(F)(F)[C@H](C)C2)o1 ZINC000334989160 387078100 /nfs/dbraw/zinc/07/81/00/387078100.db2.gz YSYDYXKPNQJOSW-PSASIEDQSA-N 1 2 244.285 3.021 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)o1 ZINC000334989160 387078097 /nfs/dbraw/zinc/07/80/97/387078097.db2.gz YSYDYXKPNQJOSW-PSASIEDQSA-N 1 2 244.285 3.021 20 0 BGADLO Cc1cnc([C@H](C)[N@H+]2CCC(F)(F)[C@H](C)C2)o1 ZINC000334989161 387078244 /nfs/dbraw/zinc/07/82/44/387078244.db2.gz YSYDYXKPNQJOSW-SCZZXKLOSA-N 1 2 244.285 3.021 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+]2CCC(F)(F)[C@H](C)C2)o1 ZINC000334989161 387078240 /nfs/dbraw/zinc/07/82/40/387078240.db2.gz YSYDYXKPNQJOSW-SCZZXKLOSA-N 1 2 244.285 3.021 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+]2CCC(F)(F)[C@@H](C)C2)o1 ZINC000334989162 387078584 /nfs/dbraw/zinc/07/85/84/387078584.db2.gz YSYDYXKPNQJOSW-WCBMZHEXSA-N 1 2 244.285 3.021 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)o1 ZINC000334989162 387078577 /nfs/dbraw/zinc/07/85/77/387078577.db2.gz YSYDYXKPNQJOSW-WCBMZHEXSA-N 1 2 244.285 3.021 20 0 BGADLO Cc1cnc([C@H](C)[N@H+]2CCC(F)(F)[C@@H](C)C2)o1 ZINC000334989163 387078918 /nfs/dbraw/zinc/07/89/18/387078918.db2.gz YSYDYXKPNQJOSW-WPRPVWTQSA-N 1 2 244.285 3.021 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+]2CCC(F)(F)[C@@H](C)C2)o1 ZINC000334989163 387078915 /nfs/dbraw/zinc/07/89/15/387078915.db2.gz YSYDYXKPNQJOSW-WPRPVWTQSA-N 1 2 244.285 3.021 20 0 BGADLO Cc1cnc(NCc2cc(C)[nH+]c(C)c2)s1 ZINC000334991431 387081478 /nfs/dbraw/zinc/08/14/78/387081478.db2.gz ZQPONHORDXEOMV-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO CC(C)=C(F)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000334993300 387082867 /nfs/dbraw/zinc/08/28/67/387082867.db2.gz OPLUNPIYIOZURL-UHFFFAOYSA-N 1 2 247.273 3.084 20 0 BGADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccco1 ZINC000335011930 387106595 /nfs/dbraw/zinc/10/65/95/387106595.db2.gz WHXLXPBHFZZYCU-JTQLQIEISA-N 1 2 228.295 3.421 20 0 BGADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccco1 ZINC000335011935 387107331 /nfs/dbraw/zinc/10/73/31/387107331.db2.gz WHXLXPBHFZZYCU-SNVBAGLBSA-N 1 2 228.295 3.421 20 0 BGADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccncc1 ZINC000335052696 385951240 /nfs/dbraw/zinc/95/12/40/385951240.db2.gz GLIDVOVFYBVSES-LLVKDONJSA-N 1 2 239.322 3.223 20 0 BGADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccncc1 ZINC000335052697 385951944 /nfs/dbraw/zinc/95/19/44/385951944.db2.gz GLIDVOVFYBVSES-NSHDSACASA-N 1 2 239.322 3.223 20 0 BGADLO Cc1cc([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)no1 ZINC000335053538 385952382 /nfs/dbraw/zinc/95/23/82/385952382.db2.gz IDCZRHVTMXMVMG-JTQLQIEISA-N 1 2 243.310 3.124 20 0 BGADLO Cc1cc([C@@H](C)Nc2ccc3c(c2)CC[NH2+]3)no1 ZINC000335053539 385951139 /nfs/dbraw/zinc/95/11/39/385951139.db2.gz IDCZRHVTMXMVMG-SNVBAGLBSA-N 1 2 243.310 3.124 20 0 BGADLO COC1CCC(Nc2ccc3c(c2)CC[NH2+]3)CC1 ZINC000335053540 385951968 /nfs/dbraw/zinc/95/19/68/385951968.db2.gz IFMBKTCNHOBMBH-UHFFFAOYSA-N 1 2 246.354 3.024 20 0 BGADLO COC1CCC([NH2+]c2ccc3c(c2)CCN3)CC1 ZINC000335053540 385951963 /nfs/dbraw/zinc/95/19/63/385951963.db2.gz IFMBKTCNHOBMBH-UHFFFAOYSA-N 1 2 246.354 3.024 20 0 BGADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1cscn1 ZINC000335053655 385954540 /nfs/dbraw/zinc/95/45/40/385954540.db2.gz JZGDPXKWZOJRAN-SECBINFHSA-N 1 2 245.351 3.284 20 0 BGADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1cscn1 ZINC000335053662 385954565 /nfs/dbraw/zinc/95/45/65/385954565.db2.gz JZGDPXKWZOJRAN-VIFPVBQESA-N 1 2 245.351 3.284 20 0 BGADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1nccs1 ZINC000335054975 135874713 /nfs/dbraw/zinc/87/47/13/135874713.db2.gz PJXJSBWPGNAQPU-SECBINFHSA-N 1 2 245.351 3.284 20 0 BGADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1nccs1 ZINC000335054977 385954722 /nfs/dbraw/zinc/95/47/22/385954722.db2.gz PJXJSBWPGNAQPU-VIFPVBQESA-N 1 2 245.351 3.284 20 0 BGADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1cncs1 ZINC000335055950 385956196 /nfs/dbraw/zinc/95/61/96/385956196.db2.gz SYXUSAXQNOMNIT-SECBINFHSA-N 1 2 245.351 3.284 20 0 BGADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1cncs1 ZINC000335055952 135874875 /nfs/dbraw/zinc/87/48/75/135874875.db2.gz SYXUSAXQNOMNIT-VIFPVBQESA-N 1 2 245.351 3.284 20 0 BGADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccccn1 ZINC000335057035 385955825 /nfs/dbraw/zinc/95/58/25/385955825.db2.gz WOBXQWDBMVUOSM-LLVKDONJSA-N 1 2 239.322 3.223 20 0 BGADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccccn1 ZINC000335057036 385957307 /nfs/dbraw/zinc/95/73/07/385957307.db2.gz WOBXQWDBMVUOSM-NSHDSACASA-N 1 2 239.322 3.223 20 0 BGADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1cccnc1 ZINC000335058169 135875608 /nfs/dbraw/zinc/87/56/08/135875608.db2.gz YQEJHZAQEMEOQD-LLVKDONJSA-N 1 2 239.322 3.223 20 0 BGADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1cccnc1 ZINC000335058171 385959105 /nfs/dbraw/zinc/95/91/05/385959105.db2.gz YQEJHZAQEMEOQD-NSHDSACASA-N 1 2 239.322 3.223 20 0 BGADLO Cc1cccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000335107549 384822673 /nfs/dbraw/zinc/82/26/73/384822673.db2.gz OYKTUOLTQYMCND-AAEUAGOBSA-N 1 2 227.311 3.309 20 0 BGADLO Cc1cccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000335107550 384824363 /nfs/dbraw/zinc/82/43/63/384824363.db2.gz OYKTUOLTQYMCND-DGCLKSJQSA-N 1 2 227.311 3.309 20 0 BGADLO Cc1cccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000335107551 384814067 /nfs/dbraw/zinc/81/40/67/384814067.db2.gz OYKTUOLTQYMCND-WCQYABFASA-N 1 2 227.311 3.309 20 0 BGADLO Cc1cccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000335107552 384816791 /nfs/dbraw/zinc/81/67/91/384816791.db2.gz OYKTUOLTQYMCND-YPMHNXCESA-N 1 2 227.311 3.309 20 0 BGADLO FC(F)[C@H]1CCCC[N@H+]1CC1CC(F)(F)C1 ZINC000335128880 398280551 /nfs/dbraw/zinc/28/05/51/398280551.db2.gz HJOFUBJKSZVMFL-SECBINFHSA-N 1 2 239.256 3.151 20 0 BGADLO FC(F)[C@H]1CCCC[N@@H+]1CC1CC(F)(F)C1 ZINC000335128880 398280548 /nfs/dbraw/zinc/28/05/48/398280548.db2.gz HJOFUBJKSZVMFL-SECBINFHSA-N 1 2 239.256 3.151 20 0 BGADLO FC(F)[C@@H]1CCCC[N@H+]1CC1CC(F)(F)C1 ZINC000335128885 398280378 /nfs/dbraw/zinc/28/03/78/398280378.db2.gz HJOFUBJKSZVMFL-VIFPVBQESA-N 1 2 239.256 3.151 20 0 BGADLO FC(F)[C@@H]1CCCC[N@@H+]1CC1CC(F)(F)C1 ZINC000335128885 398280376 /nfs/dbraw/zinc/28/03/76/398280376.db2.gz HJOFUBJKSZVMFL-VIFPVBQESA-N 1 2 239.256 3.151 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+]2CCCc3occc3C2)o1 ZINC000335133932 354781875 /nfs/dbraw/zinc/78/18/75/354781875.db2.gz ZXMNMHBRIBGBMF-LLVKDONJSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+]2CCCc3occc3C2)o1 ZINC000335133932 354781873 /nfs/dbraw/zinc/78/18/73/354781873.db2.gz ZXMNMHBRIBGBMF-LLVKDONJSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1cnc([C@H](C)[N@H+]2CCCc3occc3C2)o1 ZINC000335133934 354782233 /nfs/dbraw/zinc/78/22/33/354782233.db2.gz ZXMNMHBRIBGBMF-NSHDSACASA-N 1 2 246.310 3.085 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+]2CCCc3occc3C2)o1 ZINC000335133934 354782231 /nfs/dbraw/zinc/78/22/31/354782231.db2.gz ZXMNMHBRIBGBMF-NSHDSACASA-N 1 2 246.310 3.085 20 0 BGADLO CC(F)(F)CCn1c[nH+]c2cc(F)c(F)cc21 ZINC000335153980 386147791 /nfs/dbraw/zinc/14/77/91/386147791.db2.gz VIBGLVDQZOTAGK-UHFFFAOYSA-N 1 2 246.207 3.360 20 0 BGADLO C[C@H](c1ccccn1)[N@H+]1Cc2cccc(F)c2C1 ZINC000335154143 177044136 /nfs/dbraw/zinc/04/41/36/177044136.db2.gz GDYQKBXTBHKPPK-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H](c1ccccn1)[N@@H+]1Cc2cccc(F)c2C1 ZINC000335154143 177044134 /nfs/dbraw/zinc/04/41/34/177044134.db2.gz GDYQKBXTBHKPPK-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1ccccn1)[N@H+]1Cc2cccc(F)c2C1 ZINC000335154150 176027806 /nfs/dbraw/zinc/02/78/06/176027806.db2.gz GDYQKBXTBHKPPK-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1ccccn1)[N@@H+]1Cc2cccc(F)c2C1 ZINC000335154150 176027805 /nfs/dbraw/zinc/02/78/05/176027805.db2.gz GDYQKBXTBHKPPK-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000335156500 177320100 /nfs/dbraw/zinc/32/01/00/177320100.db2.gz UWLHIHQIADRFCB-DTORHVGOSA-N 1 2 244.260 3.083 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000335156500 177320098 /nfs/dbraw/zinc/32/00/98/177320098.db2.gz UWLHIHQIADRFCB-DTORHVGOSA-N 1 2 244.260 3.083 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1cncc(C(F)(F)F)c1 ZINC000335156503 177360276 /nfs/dbraw/zinc/36/02/76/177360276.db2.gz UWLHIHQIADRFCB-IUCAKERBSA-N 1 2 244.260 3.083 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cncc(C(F)(F)F)c1 ZINC000335156506 176364371 /nfs/dbraw/zinc/36/43/71/176364371.db2.gz UWLHIHQIADRFCB-RKDXNWHRSA-N 1 2 244.260 3.083 20 0 BGADLO Cc1cncc(C[N@H+]2Cc3cccc(F)c3C2)c1 ZINC000335158775 386153390 /nfs/dbraw/zinc/15/33/90/386153390.db2.gz VFAZKIZLGAETBS-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cncc(C[N@@H+]2Cc3cccc(F)c3C2)c1 ZINC000335158775 386153387 /nfs/dbraw/zinc/15/33/87/386153387.db2.gz VFAZKIZLGAETBS-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cccc(C[N@H+]2Cc3cccc(F)c3C2)n1 ZINC000335165073 354921488 /nfs/dbraw/zinc/92/14/88/354921488.db2.gz CWYWJOXKNNOIGR-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cccc(C[N@@H+]2Cc3cccc(F)c3C2)n1 ZINC000335165073 354921487 /nfs/dbraw/zinc/92/14/87/354921487.db2.gz CWYWJOXKNNOIGR-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1nccs1 ZINC000335166348 354924414 /nfs/dbraw/zinc/92/44/14/354924414.db2.gz MTHOWDREDZXLII-JTQLQIEISA-N 1 2 230.336 3.220 20 0 BGADLO C[C@H]1c2ccccc2C[N@H+]1Cc1nccs1 ZINC000335166348 354924412 /nfs/dbraw/zinc/92/44/12/354924412.db2.gz MTHOWDREDZXLII-JTQLQIEISA-N 1 2 230.336 3.220 20 0 BGADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1nccs1 ZINC000335166351 354923748 /nfs/dbraw/zinc/92/37/48/354923748.db2.gz MTHOWDREDZXLII-SNVBAGLBSA-N 1 2 230.336 3.220 20 0 BGADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1nccs1 ZINC000335166351 354923744 /nfs/dbraw/zinc/92/37/44/354923744.db2.gz MTHOWDREDZXLII-SNVBAGLBSA-N 1 2 230.336 3.220 20 0 BGADLO Fc1cccc2c1C[N@@H+](CCC(F)(F)F)C2 ZINC000335169455 354932187 /nfs/dbraw/zinc/93/21/87/354932187.db2.gz QSHJWSXXXHRNAF-UHFFFAOYSA-N 1 2 233.208 3.094 20 0 BGADLO Fc1cccc2c1C[N@H+](CCC(F)(F)F)C2 ZINC000335169455 354932184 /nfs/dbraw/zinc/93/21/84/354932184.db2.gz QSHJWSXXXHRNAF-UHFFFAOYSA-N 1 2 233.208 3.094 20 0 BGADLO C[C@H](c1cccnc1)[N@H+]1Cc2cccc(F)c2C1 ZINC000335170300 354933476 /nfs/dbraw/zinc/93/34/76/354933476.db2.gz UWSJWIYJNQUHNM-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H](c1cccnc1)[N@@H+]1Cc2cccc(F)c2C1 ZINC000335170300 354933475 /nfs/dbraw/zinc/93/34/75/354933475.db2.gz UWSJWIYJNQUHNM-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1cccnc1)[N@H+]1Cc2cccc(F)c2C1 ZINC000335170301 354933460 /nfs/dbraw/zinc/93/34/60/354933460.db2.gz UWSJWIYJNQUHNM-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1cccnc1)[N@@H+]1Cc2cccc(F)c2C1 ZINC000335170301 354933455 /nfs/dbraw/zinc/93/34/55/354933455.db2.gz UWSJWIYJNQUHNM-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO CC(C)=CC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000335174057 354940772 /nfs/dbraw/zinc/94/07/72/354940772.db2.gz JYPIDYAVMAOACT-UHFFFAOYSA-N 1 2 229.323 3.171 20 0 BGADLO CC(C)=CC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000335174057 354940767 /nfs/dbraw/zinc/94/07/67/354940767.db2.gz JYPIDYAVMAOACT-UHFFFAOYSA-N 1 2 229.323 3.171 20 0 BGADLO Cc1[nH+]cccc1Cc1noc(C2CCCC2)n1 ZINC000335254943 355184759 /nfs/dbraw/zinc/18/47/59/355184759.db2.gz BOCAVARJMXIVSO-UHFFFAOYSA-N 1 2 243.310 3.021 20 0 BGADLO Clc1cnc(C[N@H+]2CCC3(CCC3)C2)s1 ZINC000335257514 355193619 /nfs/dbraw/zinc/19/36/19/355193619.db2.gz RPFAIDJGQDOPKU-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO Clc1cnc(C[N@@H+]2CCC3(CCC3)C2)s1 ZINC000335257514 355193616 /nfs/dbraw/zinc/19/36/16/355193616.db2.gz RPFAIDJGQDOPKU-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1csc(C2CC2)n1 ZINC000335264816 386298291 /nfs/dbraw/zinc/29/82/91/386298291.db2.gz HLDNZQXSEAACRC-DTORHVGOSA-N 1 2 222.357 3.003 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1csc(C2CC2)n1 ZINC000335264816 386298286 /nfs/dbraw/zinc/29/82/86/386298286.db2.gz HLDNZQXSEAACRC-DTORHVGOSA-N 1 2 222.357 3.003 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1csc(C2CC2)n1 ZINC000335264817 386296848 /nfs/dbraw/zinc/29/68/48/386296848.db2.gz HLDNZQXSEAACRC-IUCAKERBSA-N 1 2 222.357 3.003 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1csc(C2CC2)n1 ZINC000335264818 386297137 /nfs/dbraw/zinc/29/71/37/386297137.db2.gz HLDNZQXSEAACRC-RKDXNWHRSA-N 1 2 222.357 3.003 20 0 BGADLO C[C@@H]([NH2+]C1CCC2(CC2)CC1)C(F)(F)F ZINC000335278663 384887553 /nfs/dbraw/zinc/88/75/53/384887553.db2.gz MDVDWKWQENKGKR-MRVPVSSYSA-N 1 2 221.266 3.250 20 0 BGADLO C[C@H]([NH2+]C1CCC2(CC2)CC1)C(F)(F)F ZINC000335278664 384885179 /nfs/dbraw/zinc/88/51/79/384885179.db2.gz MDVDWKWQENKGKR-QMMMGPOBSA-N 1 2 221.266 3.250 20 0 BGADLO Cc1nc(C[N@H+]2CC[C@H]2c2ccccc2)cs1 ZINC000335291529 355266748 /nfs/dbraw/zinc/26/67/48/355266748.db2.gz OPMBQMOJGWQTHG-AWEZNQCLSA-N 1 2 244.363 3.399 20 0 BGADLO Cc1nc(C[N@@H+]2CC[C@H]2c2ccccc2)cs1 ZINC000335291529 355266745 /nfs/dbraw/zinc/26/67/45/355266745.db2.gz OPMBQMOJGWQTHG-AWEZNQCLSA-N 1 2 244.363 3.399 20 0 BGADLO Cc1nc(C[N@H+]2CC[C@@H]2c2ccccc2)cs1 ZINC000335291530 355266797 /nfs/dbraw/zinc/26/67/97/355266797.db2.gz OPMBQMOJGWQTHG-CQSZACIVSA-N 1 2 244.363 3.399 20 0 BGADLO Cc1nc(C[N@@H+]2CC[C@@H]2c2ccccc2)cs1 ZINC000335291530 355266796 /nfs/dbraw/zinc/26/67/96/355266796.db2.gz OPMBQMOJGWQTHG-CQSZACIVSA-N 1 2 244.363 3.399 20 0 BGADLO Cc1ccc(NC(=O)C2CC(C)(C)C2)c(C)[nH+]1 ZINC000335308875 178721139 /nfs/dbraw/zinc/72/11/39/178721139.db2.gz DVCIRCBHIVUMDJ-UHFFFAOYSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc(C)c(NC(=O)CC2(C)CC2)c(C)[nH+]1 ZINC000335332740 136054525 /nfs/dbraw/zinc/05/45/25/136054525.db2.gz HXLATOGMLAXUAM-UHFFFAOYSA-N 1 2 232.327 3.136 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)c1ccsc1 ZINC000335336100 136055726 /nfs/dbraw/zinc/05/57/26/136055726.db2.gz HVVYDNWGIBOICO-UHFFFAOYSA-N 1 2 232.308 3.012 20 0 BGADLO Cc1ccc(Cn2cc(C(C)C)cn2)c(C)[nH+]1 ZINC000335344399 136065461 /nfs/dbraw/zinc/06/54/61/136065461.db2.gz DQANGYFOEPTFTJ-UHFFFAOYSA-N 1 2 229.327 3.067 20 0 BGADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@](C)(F)C1 ZINC000335351066 136068589 /nfs/dbraw/zinc/06/85/89/136068589.db2.gz WNBOVHRZOMZZNS-HZMBPMFUSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@](C)(F)C1 ZINC000335351066 136068588 /nfs/dbraw/zinc/06/85/88/136068588.db2.gz WNBOVHRZOMZZNS-HZMBPMFUSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@@](C)(F)C1 ZINC000335351067 136068802 /nfs/dbraw/zinc/06/88/02/136068802.db2.gz WNBOVHRZOMZZNS-IINYFYTJSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000335351067 136068801 /nfs/dbraw/zinc/06/88/01/136068801.db2.gz WNBOVHRZOMZZNS-IINYFYTJSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@@](C)(F)C1 ZINC000335351068 136068836 /nfs/dbraw/zinc/06/88/36/136068836.db2.gz WNBOVHRZOMZZNS-QMTHXVAHSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000335351068 136068835 /nfs/dbraw/zinc/06/88/35/136068835.db2.gz WNBOVHRZOMZZNS-QMTHXVAHSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@](C)(F)C1 ZINC000335351069 136068784 /nfs/dbraw/zinc/06/87/84/136068784.db2.gz WNBOVHRZOMZZNS-YGRLFVJLSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@](C)(F)C1 ZINC000335351069 136068783 /nfs/dbraw/zinc/06/87/83/136068783.db2.gz WNBOVHRZOMZZNS-YGRLFVJLSA-N 1 2 248.301 3.323 20 0 BGADLO FC(F)(F)c1cscc1C[NH+]1CC2(CC2)C1 ZINC000335376806 487621373 /nfs/dbraw/zinc/62/13/73/487621373.db2.gz WCTAYXFIMCTXRF-UHFFFAOYSA-N 1 2 247.285 3.363 20 0 BGADLO C[N@@H+](C[C@H]1C[C@@H](O)C1)c1cccc2ccccc21 ZINC000335378976 136086571 /nfs/dbraw/zinc/08/65/71/136086571.db2.gz PCJATYNGWMIJNQ-XBXGTLAGSA-N 1 2 241.334 3.047 20 0 BGADLO C[N@H+](C[C@H]1C[C@@H](O)C1)c1cccc2ccccc21 ZINC000335378976 136086570 /nfs/dbraw/zinc/08/65/70/136086570.db2.gz PCJATYNGWMIJNQ-XBXGTLAGSA-N 1 2 241.334 3.047 20 0 BGADLO Fc1ccc2nc(C[NH+]3CC4(CC4)C3)sc2c1 ZINC000335382888 487621654 /nfs/dbraw/zinc/62/16/54/487621654.db2.gz JIJWZGSYUPLWOQ-UHFFFAOYSA-N 1 2 248.326 3.031 20 0 BGADLO CC(C)(C)c1cnc(C[NH+]2CC3(CC3)C2)s1 ZINC000335382899 487622501 /nfs/dbraw/zinc/62/25/01/487622501.db2.gz KBRWSLKIKYUYJL-UHFFFAOYSA-N 1 2 236.384 3.036 20 0 BGADLO FC(F)(F)c1ccc(C[NH+]2CC3(CC3)C2)s1 ZINC000335383331 491122589 /nfs/dbraw/zinc/12/25/89/491122589.db2.gz WFIAXHBGKJVDKE-UHFFFAOYSA-N 1 2 247.285 3.363 20 0 BGADLO Cn1c[nH+]cc1CSc1ccc(Cl)cc1 ZINC000335384239 136088622 /nfs/dbraw/zinc/08/86/22/136088622.db2.gz HWWTVTNFDGTRIH-UHFFFAOYSA-N 1 2 238.743 3.366 20 0 BGADLO Cc1ccc(NC(=O)C2CC3(CCC3)C2)c(C)[nH+]1 ZINC000335391153 136091041 /nfs/dbraw/zinc/09/10/41/136091041.db2.gz ASEZUPSPLHXYFJ-UHFFFAOYSA-N 1 2 244.338 3.217 20 0 BGADLO CSc1ccc(C[N@H+]2CC[C@@H](F)C2)s1 ZINC000335406697 385593577 /nfs/dbraw/zinc/59/35/77/385593577.db2.gz MGUCIHKFGKYRTN-MRVPVSSYSA-N 1 2 231.361 3.014 20 0 BGADLO CSc1ccc(C[N@@H+]2CC[C@@H](F)C2)s1 ZINC000335406697 385593574 /nfs/dbraw/zinc/59/35/74/385593574.db2.gz MGUCIHKFGKYRTN-MRVPVSSYSA-N 1 2 231.361 3.014 20 0 BGADLO CSc1ccc(C[N@H+]2CC[C@H](F)C2)s1 ZINC000335406698 386566287 /nfs/dbraw/zinc/56/62/87/386566287.db2.gz MGUCIHKFGKYRTN-QMMMGPOBSA-N 1 2 231.361 3.014 20 0 BGADLO CSc1ccc(C[N@@H+]2CC[C@H](F)C2)s1 ZINC000335406698 386566281 /nfs/dbraw/zinc/56/62/81/386566281.db2.gz MGUCIHKFGKYRTN-QMMMGPOBSA-N 1 2 231.361 3.014 20 0 BGADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccncc1F ZINC000335445986 386512271 /nfs/dbraw/zinc/51/22/71/386512271.db2.gz WTXJKXBJJTYBIN-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1ccncc1F ZINC000335445986 386512266 /nfs/dbraw/zinc/51/22/66/386512266.db2.gz WTXJKXBJJTYBIN-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1ccncc1F ZINC000335445988 386513113 /nfs/dbraw/zinc/51/31/13/386513113.db2.gz WTXJKXBJJTYBIN-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H]1c2ccccc2C[N@H+]1Cc1ccncc1F ZINC000335445988 386513108 /nfs/dbraw/zinc/51/31/08/386513108.db2.gz WTXJKXBJJTYBIN-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C1CC2(CCC2)C1 ZINC000335465637 386550724 /nfs/dbraw/zinc/55/07/24/386550724.db2.gz ONCFYQZFIYVQFG-UHFFFAOYSA-N 1 2 244.338 3.217 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000335502558 386632743 /nfs/dbraw/zinc/63/27/43/386632743.db2.gz LRJSWLJLVCUMMJ-GWCFXTLKSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000335502559 386631870 /nfs/dbraw/zinc/63/18/70/386631870.db2.gz LRJSWLJLVCUMMJ-GXFFZTMASA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCCC[C@H]1C ZINC000335502560 386632934 /nfs/dbraw/zinc/63/29/34/386632934.db2.gz LRJSWLJLVCUMMJ-MFKMUULPSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000335502561 386632074 /nfs/dbraw/zinc/63/20/74/386632074.db2.gz LRJSWLJLVCUMMJ-ZWNOBZJWSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)C1CCC1 ZINC000335510501 386644471 /nfs/dbraw/zinc/64/44/71/386644471.db2.gz FMZJTMLALJCHIZ-JTQLQIEISA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)C1CCC1 ZINC000335510502 133871131 /nfs/dbraw/zinc/87/11/31/133871131.db2.gz FMZJTMLALJCHIZ-SNVBAGLBSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C1CC(C)(C)C1 ZINC000335512581 385745071 /nfs/dbraw/zinc/74/50/71/385745071.db2.gz FRIBVCBQBKPZRP-UHFFFAOYSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1coc(C)c1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335512655 133871736 /nfs/dbraw/zinc/87/17/36/133871736.db2.gz GQDAYFNFGZCCND-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO CC[C@@H]1CCC[C@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335513827 386650356 /nfs/dbraw/zinc/65/03/56/386650356.db2.gz JQERFQNABWOMBU-CHWSQXEVSA-N 1 2 246.354 3.463 20 0 BGADLO CC[C@@H]1CCC[C@@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335513829 386649868 /nfs/dbraw/zinc/64/98/68/386649868.db2.gz JQERFQNABWOMBU-OLZOCXBDSA-N 1 2 246.354 3.463 20 0 BGADLO CC[C@H]1CCC[C@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335513832 386650053 /nfs/dbraw/zinc/65/00/53/386650053.db2.gz JQERFQNABWOMBU-QWHCGFSZSA-N 1 2 246.354 3.463 20 0 BGADLO CC[C@H]1CCC[C@@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335513834 386650555 /nfs/dbraw/zinc/65/05/55/386650555.db2.gz JQERFQNABWOMBU-STQMWFEESA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000335514785 386652550 /nfs/dbraw/zinc/65/25/50/386652550.db2.gz LXWZVCRKJIJRJZ-ZWNOBZJWSA-N 1 2 244.338 3.239 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)CC1CC(C)(C)C1 ZINC000335517654 398290175 /nfs/dbraw/zinc/29/01/75/398290175.db2.gz YGKPWMMQEKZJLK-UHFFFAOYSA-N 1 2 246.354 3.463 20 0 BGADLO Clc1cnc(C[N@H+]2CCCC23CCC3)s1 ZINC000335521845 386661662 /nfs/dbraw/zinc/66/16/62/386661662.db2.gz MDLNEZADARTMJT-UHFFFAOYSA-N 1 2 242.775 3.315 20 0 BGADLO Clc1cnc(C[N@@H+]2CCCC23CCC3)s1 ZINC000335521845 386661651 /nfs/dbraw/zinc/66/16/51/386661651.db2.gz MDLNEZADARTMJT-UHFFFAOYSA-N 1 2 242.775 3.315 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000335526491 386671744 /nfs/dbraw/zinc/67/17/44/386671744.db2.gz ASZHKBGDHHUVIC-DOMZBBRYSA-N 1 2 246.354 3.319 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000335526493 133875497 /nfs/dbraw/zinc/87/54/97/133875497.db2.gz ASZHKBGDHHUVIC-IUODEOHRSA-N 1 2 246.354 3.319 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000335526494 386670955 /nfs/dbraw/zinc/67/09/55/386670955.db2.gz ASZHKBGDHHUVIC-SWLSCSKDSA-N 1 2 246.354 3.319 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000335526495 386671759 /nfs/dbraw/zinc/67/17/59/386671759.db2.gz ASZHKBGDHHUVIC-WFASDCNBSA-N 1 2 246.354 3.319 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1C=CCCC1 ZINC000335526576 386670875 /nfs/dbraw/zinc/67/08/75/386670875.db2.gz DNEMJUARMFQPPL-CYBMUJFWSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1C=CCCC1 ZINC000335526577 386671224 /nfs/dbraw/zinc/67/12/24/386671224.db2.gz DNEMJUARMFQPPL-ZDUSSCGKSA-N 1 2 244.338 3.383 20 0 BGADLO CC1=C(C(=O)Nc2c(C)cc[nH+]c2C)CCC1 ZINC000335527244 386671695 /nfs/dbraw/zinc/67/16/95/386671695.db2.gz GYYGIXBUCZJYHX-UHFFFAOYSA-N 1 2 230.311 3.137 20 0 BGADLO CCc1occc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335527246 386671056 /nfs/dbraw/zinc/67/10/56/386671056.db2.gz GZEQVCCTNJKTBS-UHFFFAOYSA-N 1 2 244.294 3.106 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCCC1(C)C ZINC000335527684 133875885 /nfs/dbraw/zinc/87/58/85/133875885.db2.gz JKICVGRWFHBUFD-GFCCVEGCSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCCC1(C)C ZINC000335527706 386673841 /nfs/dbraw/zinc/67/38/41/386673841.db2.gz JKICVGRWFHBUFD-LBPRGKRZSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc(C(=O)Nc2c(C)cc[nH+]c2C)oc1C ZINC000335527860 386672686 /nfs/dbraw/zinc/67/26/86/386672686.db2.gz LBQKSUWMLXSFSR-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000335527908 386673384 /nfs/dbraw/zinc/67/33/84/386673384.db2.gz LXABQZAIPLMYRW-GWCFXTLKSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000335527912 386673460 /nfs/dbraw/zinc/67/34/60/386673460.db2.gz LXABQZAIPLMYRW-GXFFZTMASA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000335527915 386673125 /nfs/dbraw/zinc/67/31/25/386673125.db2.gz LXABQZAIPLMYRW-MFKMUULPSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000335527918 386673149 /nfs/dbraw/zinc/67/31/49/386673149.db2.gz LXABQZAIPLMYRW-ZWNOBZJWSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc(C)c(C(=O)Nc2c(C)cc[nH+]c2C)o1 ZINC000335528465 386675286 /nfs/dbraw/zinc/67/52/86/386675286.db2.gz OIDZFRRVIVKFSW-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO CC[C@]1(C)C[C@@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335528582 386675103 /nfs/dbraw/zinc/67/51/03/386675103.db2.gz PTGKTKJBJINVRI-BXUZGUMPSA-N 1 2 232.327 3.073 20 0 BGADLO CC[C@@]1(C)C[C@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335528585 386675708 /nfs/dbraw/zinc/67/57/08/386675708.db2.gz PTGKTKJBJINVRI-FZMZJTMJSA-N 1 2 232.327 3.073 20 0 BGADLO CC[C@@]1(C)C[C@@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335528587 536064287 /nfs/dbraw/zinc/06/42/87/536064287.db2.gz PTGKTKJBJINVRI-RISCZKNCSA-N 1 2 232.327 3.073 20 0 BGADLO CC[C@]1(C)C[C@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335528590 386676210 /nfs/dbraw/zinc/67/62/10/386676210.db2.gz PTGKTKJBJINVRI-SMDDNHRTSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000335528763 386675537 /nfs/dbraw/zinc/67/55/37/386675537.db2.gz QRDTVAWXQAIYCY-GWCFXTLKSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000335528764 386675646 /nfs/dbraw/zinc/67/56/46/386675646.db2.gz QRDTVAWXQAIYCY-GXFFZTMASA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000335528765 386675995 /nfs/dbraw/zinc/67/59/95/386675995.db2.gz QRDTVAWXQAIYCY-MFKMUULPSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000335528766 386675656 /nfs/dbraw/zinc/67/56/56/386675656.db2.gz QRDTVAWXQAIYCY-ZWNOBZJWSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CC12CCCC2 ZINC000335529697 386677868 /nfs/dbraw/zinc/67/78/68/386677868.db2.gz SBSQNWVCMXCQFJ-GFCCVEGCSA-N 1 2 244.338 3.217 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC12CCCC2 ZINC000335529701 386678662 /nfs/dbraw/zinc/67/86/62/386678662.db2.gz SBSQNWVCMXCQFJ-LBPRGKRZSA-N 1 2 244.338 3.217 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000335529785 386678594 /nfs/dbraw/zinc/67/85/94/386678594.db2.gz SMSNSVMCSKRVBG-BXKDBHETSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CC[C@H](C)C1 ZINC000335529788 386678682 /nfs/dbraw/zinc/67/86/82/386678682.db2.gz SMSNSVMCSKRVBG-CABZTGNLSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000335529792 133876883 /nfs/dbraw/zinc/87/68/83/133876883.db2.gz SMSNSVMCSKRVBG-JOYOIKCWSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000335529796 386678349 /nfs/dbraw/zinc/67/83/49/386678349.db2.gz SMSNSVMCSKRVBG-SKDRFNHKSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000335529987 386677407 /nfs/dbraw/zinc/67/74/07/386677407.db2.gz VLTPPHDRBLDQDC-ITGUQSILSA-N 1 2 244.338 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000335531153 386681049 /nfs/dbraw/zinc/68/10/49/386681049.db2.gz WEGDZOJNTJKGOE-GWCFXTLKSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1CCC[C@@H]1C ZINC000335531157 386681644 /nfs/dbraw/zinc/68/16/44/386681644.db2.gz WEGDZOJNTJKGOE-GXFFZTMASA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1CCC[C@H]1C ZINC000335531162 386680825 /nfs/dbraw/zinc/68/08/25/386680825.db2.gz WEGDZOJNTJKGOE-MFKMUULPSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H]1CCC[C@H]1C ZINC000335531166 386679832 /nfs/dbraw/zinc/67/98/32/386679832.db2.gz WEGDZOJNTJKGOE-ZWNOBZJWSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000335531638 386681450 /nfs/dbraw/zinc/68/14/50/386681450.db2.gz ZUPSPBIOQZAAOX-GFCCVEGCSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000335531641 386681486 /nfs/dbraw/zinc/68/14/86/386681486.db2.gz ZUPSPBIOQZAAOX-LBPRGKRZSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@]23C[C@H]2CCC3)c(C)[nH+]1 ZINC000335563025 136106661 /nfs/dbraw/zinc/10/66/61/136106661.db2.gz PLNJZOBJRAJBEE-IUODEOHRSA-N 1 2 244.338 3.136 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@@]23C[C@@H]2CCC3)c(C)[nH+]1 ZINC000335563027 136106708 /nfs/dbraw/zinc/10/67/08/136106708.db2.gz PLNJZOBJRAJBEE-WFASDCNBSA-N 1 2 244.338 3.136 20 0 BGADLO FC(F)(F)C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000335566828 136108076 /nfs/dbraw/zinc/10/80/76/136108076.db2.gz FPHPWOUWSQCRKG-JTQLQIEISA-N 1 2 244.260 3.250 20 0 BGADLO FC(F)(F)C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000335566829 136107839 /nfs/dbraw/zinc/10/78/39/136107839.db2.gz FPHPWOUWSQCRKG-SNVBAGLBSA-N 1 2 244.260 3.250 20 0 BGADLO Cc1nc([C@H]2CCC[N@H+]2CC2=CCCCC2)no1 ZINC000335573004 136110357 /nfs/dbraw/zinc/11/03/57/136110357.db2.gz WSHSLFKVEZOWRN-CYBMUJFWSA-N 1 2 247.342 3.015 20 0 BGADLO Cc1nc([C@H]2CCC[N@@H+]2CC2=CCCCC2)no1 ZINC000335573004 136110356 /nfs/dbraw/zinc/11/03/56/136110356.db2.gz WSHSLFKVEZOWRN-CYBMUJFWSA-N 1 2 247.342 3.015 20 0 BGADLO Cc1nc([C@@H]2CCC[N@H+]2CC2=CCCCC2)no1 ZINC000335573005 136110276 /nfs/dbraw/zinc/11/02/76/136110276.db2.gz WSHSLFKVEZOWRN-ZDUSSCGKSA-N 1 2 247.342 3.015 20 0 BGADLO Cc1nc([C@@H]2CCC[N@@H+]2CC2=CCCCC2)no1 ZINC000335573005 136110275 /nfs/dbraw/zinc/11/02/75/136110275.db2.gz WSHSLFKVEZOWRN-ZDUSSCGKSA-N 1 2 247.342 3.015 20 0 BGADLO Cc1cc(C)c(NC(=O)N(C)CC(C)C)c(C)[nH+]1 ZINC000335585939 136101971 /nfs/dbraw/zinc/10/19/71/136101971.db2.gz HZZXUVBSXSCFPX-UHFFFAOYSA-N 1 2 249.358 3.127 20 0 BGADLO Cc1cc(C)c(NC(=O)NCC(C)(C)C)c(C)[nH+]1 ZINC000335586127 136101788 /nfs/dbraw/zinc/10/17/88/136101788.db2.gz LJOGWVJNOCBRNC-UHFFFAOYSA-N 1 2 249.358 3.174 20 0 BGADLO CC[C@@H](C)N(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000335586373 385817936 /nfs/dbraw/zinc/81/79/36/385817936.db2.gz NNUWTFAJIJBVIU-LLVKDONJSA-N 1 2 249.358 3.269 20 0 BGADLO CC[C@H](C)N(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000335586374 136102410 /nfs/dbraw/zinc/10/24/10/136102410.db2.gz NNUWTFAJIJBVIU-NSHDSACASA-N 1 2 249.358 3.269 20 0 BGADLO Cc1cc(C)c(NC(=O)N(C)C2CCC2)c(C)[nH+]1 ZINC000335588986 136102878 /nfs/dbraw/zinc/10/28/78/136102878.db2.gz JJHFSTVYODVBGH-UHFFFAOYSA-N 1 2 247.342 3.023 20 0 BGADLO CCC1(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000335589128 136102710 /nfs/dbraw/zinc/10/27/10/136102710.db2.gz GHVDIILAAQWYJM-UHFFFAOYSA-N 1 2 247.342 3.071 20 0 BGADLO CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)C(C)C ZINC000335591516 136103622 /nfs/dbraw/zinc/10/36/22/136103622.db2.gz WNOPJGLFHYIMOM-UHFFFAOYSA-N 1 2 249.358 3.269 20 0 BGADLO CC[C@@H]1CCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000335591988 136103358 /nfs/dbraw/zinc/10/33/58/136103358.db2.gz YPEHRMSDHDMAES-GFCCVEGCSA-N 1 2 247.342 3.023 20 0 BGADLO CC[C@H]1CCN1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000335591989 136103365 /nfs/dbraw/zinc/10/33/65/136103365.db2.gz YPEHRMSDHDMAES-LBPRGKRZSA-N 1 2 247.342 3.023 20 0 BGADLO FC1(F)CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000335593263 136103979 /nfs/dbraw/zinc/10/39/79/136103979.db2.gz MZVFHMAVAQXBPC-UHFFFAOYSA-N 1 2 248.276 3.076 20 0 BGADLO FC1(F)CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000335593263 136103978 /nfs/dbraw/zinc/10/39/78/136103978.db2.gz MZVFHMAVAQXBPC-UHFFFAOYSA-N 1 2 248.276 3.076 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CCCOCC2)c1Cl ZINC000335599992 384369998 /nfs/dbraw/zinc/36/99/98/384369998.db2.gz IEKGWVJSJLKBNI-JTQLQIEISA-N 1 2 240.734 3.024 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CCCOCC2)c1Cl ZINC000335599993 384369618 /nfs/dbraw/zinc/36/96/18/384369618.db2.gz IEKGWVJSJLKBNI-SNVBAGLBSA-N 1 2 240.734 3.024 20 0 BGADLO CCc1ccc(N[C@H]2CCn3cc[nH+]c32)cc1C ZINC000335600258 384370354 /nfs/dbraw/zinc/37/03/54/384370354.db2.gz KABVPSFKFIUWTQ-AWEZNQCLSA-N 1 2 241.338 3.311 20 0 BGADLO CCc1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1C ZINC000335600259 384370940 /nfs/dbraw/zinc/37/09/40/384370940.db2.gz KABVPSFKFIUWTQ-CQSZACIVSA-N 1 2 241.338 3.311 20 0 BGADLO C[C@@H](Nc1cccc(Cl)c1)c1[nH]cc[nH+]1 ZINC000335603750 566405707 /nfs/dbraw/zinc/40/57/07/566405707.db2.gz OWSLKSWUGXWDOL-MRVPVSSYSA-N 1 2 221.691 3.236 20 0 BGADLO C[C@H](Nc1cccc(Cl)c1)c1[nH]cc[nH+]1 ZINC000335603751 566405677 /nfs/dbraw/zinc/40/56/77/566405677.db2.gz OWSLKSWUGXWDOL-QMMMGPOBSA-N 1 2 221.691 3.236 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CCO[C@H](C)C2)c1Cl ZINC000335605887 384381798 /nfs/dbraw/zinc/38/17/98/384381798.db2.gz NOONDMAJEGTRTF-NXEZZACHSA-N 1 2 240.734 3.023 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CCO[C@@H](C)C2)c1Cl ZINC000335605896 384381776 /nfs/dbraw/zinc/38/17/76/384381776.db2.gz NOONDMAJEGTRTF-UWVGGRQHSA-N 1 2 240.734 3.023 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CCO[C@@H](C)C2)c1Cl ZINC000335605902 384379920 /nfs/dbraw/zinc/37/99/20/384379920.db2.gz NOONDMAJEGTRTF-VHSXEESVSA-N 1 2 240.734 3.023 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CCO[C@H](C)C2)c1Cl ZINC000335605908 384382450 /nfs/dbraw/zinc/38/24/50/384382450.db2.gz NOONDMAJEGTRTF-ZJUUUORDSA-N 1 2 240.734 3.023 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N1[C@H](C)CC[C@H]1C ZINC000335613406 136295418 /nfs/dbraw/zinc/29/54/18/136295418.db2.gz GTTINYYBPBPRNK-GHMZBOCLSA-N 1 2 247.342 3.103 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N1[C@H](C)CC[C@@H]1C ZINC000335613407 136295633 /nfs/dbraw/zinc/29/56/33/136295633.db2.gz GTTINYYBPBPRNK-PHIMTYICSA-N 1 2 247.342 3.103 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N1[C@@H](C)CC[C@@H]1C ZINC000335613408 136295508 /nfs/dbraw/zinc/29/55/08/136295508.db2.gz GTTINYYBPBPRNK-QWRGUYRKSA-N 1 2 247.342 3.103 20 0 BGADLO FC1(F)CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000335621053 384393861 /nfs/dbraw/zinc/39/38/61/384393861.db2.gz ORFPWEZFRCDWFG-SECBINFHSA-N 1 2 212.243 3.071 20 0 BGADLO FC1(F)CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000335621054 384391798 /nfs/dbraw/zinc/39/17/98/384391798.db2.gz ORFPWEZFRCDWFG-VIFPVBQESA-N 1 2 212.243 3.071 20 0 BGADLO F[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000335630781 388452295 /nfs/dbraw/zinc/45/22/95/388452295.db2.gz HZEODGUJBFGVAS-HTQZYQBOSA-N 1 2 248.754 3.167 20 0 BGADLO Cc1cnc(C[N@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000335679117 136319868 /nfs/dbraw/zinc/31/98/68/136319868.db2.gz CYSRDRMIBTVSGD-LLVKDONJSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1cnc(C[N@@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000335679117 136319867 /nfs/dbraw/zinc/31/98/67/136319867.db2.gz CYSRDRMIBTVSGD-LLVKDONJSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1cnc(C[N@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000335679118 136319797 /nfs/dbraw/zinc/31/97/97/136319797.db2.gz CYSRDRMIBTVSGD-NSHDSACASA-N 1 2 228.295 3.060 20 0 BGADLO Cc1cnc(C[N@@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000335679118 136319796 /nfs/dbraw/zinc/31/97/96/136319796.db2.gz CYSRDRMIBTVSGD-NSHDSACASA-N 1 2 228.295 3.060 20 0 BGADLO FC(F)(F)C1CCC(Cn2cc[nH+]c2)CC1 ZINC000335682424 136329169 /nfs/dbraw/zinc/32/91/69/136329169.db2.gz JPPGODQMEZMAOQ-UHFFFAOYSA-N 1 2 232.249 3.252 20 0 BGADLO CC[C@@H]1CCCN1C(=O)Nc1ccc(C)[nH+]c1C ZINC000335686913 386776459 /nfs/dbraw/zinc/77/64/59/386776459.db2.gz AZBKMWGHPDKAHX-GFCCVEGCSA-N 1 2 247.342 3.105 20 0 BGADLO CC[C@H]1CCCN1C(=O)Nc1ccc(C)[nH+]c1C ZINC000335686914 386775459 /nfs/dbraw/zinc/77/54/59/386775459.db2.gz AZBKMWGHPDKAHX-LBPRGKRZSA-N 1 2 247.342 3.105 20 0 BGADLO Cc1nc(C[N@H+]2Cc3ccc(C)cc3C2)oc1C ZINC000335691947 136325222 /nfs/dbraw/zinc/32/52/22/136325222.db2.gz IIWHUCDHGFZLSU-UHFFFAOYSA-N 1 2 242.322 3.116 20 0 BGADLO Cc1nc(C[N@@H+]2Cc3ccc(C)cc3C2)oc1C ZINC000335691947 136325221 /nfs/dbraw/zinc/32/52/21/136325221.db2.gz IIWHUCDHGFZLSU-UHFFFAOYSA-N 1 2 242.322 3.116 20 0 BGADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ncc(Cl)s1 ZINC000335695249 176199926 /nfs/dbraw/zinc/19/99/26/176199926.db2.gz QTPUVADHRBOXQH-HTQZYQBOSA-N 1 2 230.764 3.169 20 0 BGADLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ncc(Cl)s1 ZINC000335695250 136326529 /nfs/dbraw/zinc/32/65/29/136326529.db2.gz QTPUVADHRBOXQH-OCAPTIKFSA-N 1 2 230.764 3.169 20 0 BGADLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ncc(Cl)s1 ZINC000335695250 136326528 /nfs/dbraw/zinc/32/65/28/136326528.db2.gz QTPUVADHRBOXQH-OCAPTIKFSA-N 1 2 230.764 3.169 20 0 BGADLO C[C@H]1CC[C@H](C)[NH+]1Cc1ncc(Cl)s1 ZINC000335695251 136326752 /nfs/dbraw/zinc/32/67/52/136326752.db2.gz QTPUVADHRBOXQH-YUMQZZPRSA-N 1 2 230.764 3.169 20 0 BGADLO CC1=C(C(=O)Nc2c(C)cc(C)[nH+]c2C)CCC1 ZINC000335725220 136347076 /nfs/dbraw/zinc/34/70/76/136347076.db2.gz QTXKBPLCQDKICZ-UHFFFAOYSA-N 1 2 244.338 3.446 20 0 BGADLO Cc1ccc(CS[C@@H]2CCCOC2)c(C)[nH+]1 ZINC000335725808 136347226 /nfs/dbraw/zinc/34/72/26/136347226.db2.gz OTTSEKYDGYLWJT-CYBMUJFWSA-N 1 2 237.368 3.111 20 0 BGADLO Cc1ccc(CS[C@H]2CCCOC2)c(C)[nH+]1 ZINC000335725809 136347032 /nfs/dbraw/zinc/34/70/32/136347032.db2.gz OTTSEKYDGYLWJT-ZDUSSCGKSA-N 1 2 237.368 3.111 20 0 BGADLO C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000335730996 136348839 /nfs/dbraw/zinc/34/88/39/136348839.db2.gz KGJCGIVUMHBRGX-MRVPVSSYSA-N 1 2 230.764 3.028 20 0 BGADLO C[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000335730996 136348838 /nfs/dbraw/zinc/34/88/38/136348838.db2.gz KGJCGIVUMHBRGX-MRVPVSSYSA-N 1 2 230.764 3.028 20 0 BGADLO C[C@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000335730997 136348789 /nfs/dbraw/zinc/34/87/89/136348789.db2.gz KGJCGIVUMHBRGX-QMMMGPOBSA-N 1 2 230.764 3.028 20 0 BGADLO C[C@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000335730997 136348788 /nfs/dbraw/zinc/34/87/88/136348788.db2.gz KGJCGIVUMHBRGX-QMMMGPOBSA-N 1 2 230.764 3.028 20 0 BGADLO Clc1cnc(C[NH+]2CCCCCC2)s1 ZINC000335730998 136348813 /nfs/dbraw/zinc/34/88/13/136348813.db2.gz KIPMAIYZXALVDS-UHFFFAOYSA-N 1 2 230.764 3.173 20 0 BGADLO c1nc(C[N@H+]2CC[C@@H]2c2ccccc2)cs1 ZINC000335755450 386882893 /nfs/dbraw/zinc/88/28/93/386882893.db2.gz JZMRXTMVTKOKLK-CYBMUJFWSA-N 1 2 230.336 3.090 20 0 BGADLO c1nc(C[N@@H+]2CC[C@@H]2c2ccccc2)cs1 ZINC000335755450 386882890 /nfs/dbraw/zinc/88/28/90/386882890.db2.gz JZMRXTMVTKOKLK-CYBMUJFWSA-N 1 2 230.336 3.090 20 0 BGADLO c1nc(C[N@H+]2CC[C@H]2c2ccccc2)cs1 ZINC000335755451 386882360 /nfs/dbraw/zinc/88/23/60/386882360.db2.gz JZMRXTMVTKOKLK-ZDUSSCGKSA-N 1 2 230.336 3.090 20 0 BGADLO c1nc(C[N@@H+]2CC[C@H]2c2ccccc2)cs1 ZINC000335755451 386882354 /nfs/dbraw/zinc/88/23/54/386882354.db2.gz JZMRXTMVTKOKLK-ZDUSSCGKSA-N 1 2 230.336 3.090 20 0 BGADLO Cc1ccc(CSc2ccncc2)c(C)[nH+]1 ZINC000335760606 386898746 /nfs/dbraw/zinc/89/87/46/386898746.db2.gz GCMDTMGWPSTEOW-UHFFFAOYSA-N 1 2 230.336 3.386 20 0 BGADLO CCN(C(=O)Nc1ccc(C)[nH+]c1C)C1CCC1 ZINC000335763822 386905100 /nfs/dbraw/zinc/90/51/00/386905100.db2.gz DCQNGUWERFOOHB-UHFFFAOYSA-N 1 2 247.342 3.105 20 0 BGADLO CC(C)c1ncc(C[N@H+]2CC[C@@](C)(F)C2)s1 ZINC000335765983 386908827 /nfs/dbraw/zinc/90/88/27/386908827.db2.gz YVCBWTINKBIRFM-GFCCVEGCSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1ncc(C[N@@H+]2CC[C@@](C)(F)C2)s1 ZINC000335765983 386908825 /nfs/dbraw/zinc/90/88/25/386908825.db2.gz YVCBWTINKBIRFM-GFCCVEGCSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1ncc(C[N@H+]2CC[C@](C)(F)C2)s1 ZINC000335765984 133897064 /nfs/dbraw/zinc/89/70/64/133897064.db2.gz YVCBWTINKBIRFM-LBPRGKRZSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1ncc(C[N@@H+]2CC[C@](C)(F)C2)s1 ZINC000335765984 133897063 /nfs/dbraw/zinc/89/70/63/133897063.db2.gz YVCBWTINKBIRFM-LBPRGKRZSA-N 1 2 242.363 3.200 20 0 BGADLO C[C@@H]1[C@H](C(F)(F)F)CCCN1c1cccc[nH+]1 ZINC000335773395 386922194 /nfs/dbraw/zinc/92/21/94/386922194.db2.gz YSGMTUMMNFQAPD-NXEZZACHSA-N 1 2 244.260 3.249 20 0 BGADLO C[C@H]1[C@@H](C(F)(F)F)CCCN1c1cccc[nH+]1 ZINC000335773396 386921464 /nfs/dbraw/zinc/92/14/64/386921464.db2.gz YSGMTUMMNFQAPD-UWVGGRQHSA-N 1 2 244.260 3.249 20 0 BGADLO C[C@H]1[C@H](C(F)(F)F)CCCN1c1cccc[nH+]1 ZINC000335773397 386921211 /nfs/dbraw/zinc/92/12/11/386921211.db2.gz YSGMTUMMNFQAPD-VHSXEESVSA-N 1 2 244.260 3.249 20 0 BGADLO C[C@@H]1[C@@H](C(F)(F)F)CCCN1c1cccc[nH+]1 ZINC000335773398 386921242 /nfs/dbraw/zinc/92/12/42/386921242.db2.gz YSGMTUMMNFQAPD-ZJUUUORDSA-N 1 2 244.260 3.249 20 0 BGADLO Cc1cc(C(=O)Nc2c(C)cc[nH+]c2C)c(C)o1 ZINC000335780417 355427668 /nfs/dbraw/zinc/42/76/68/355427668.db2.gz MZSDZPWZDBQSLC-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO Cc1cccc(C(=O)Nc2c(C)cc[nH+]c2C)c1 ZINC000335780583 355427562 /nfs/dbraw/zinc/42/75/62/355427562.db2.gz XQQSPTWWZJPMLR-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO c1sc(C2CC2)nc1C[NH+]1CC2(C1)CCCC2 ZINC000335786308 355436445 /nfs/dbraw/zinc/43/64/45/355436445.db2.gz KNNPWWYPGMIARN-UHFFFAOYSA-N 1 2 248.395 3.397 20 0 BGADLO Clc1cnc(C[N@H+]2CCCC3(CC3)C2)s1 ZINC000335787256 355437711 /nfs/dbraw/zinc/43/77/11/355437711.db2.gz AEBFAGRLQYPWMW-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO Clc1cnc(C[N@@H+]2CCCC3(CC3)C2)s1 ZINC000335787256 355437708 /nfs/dbraw/zinc/43/77/08/355437708.db2.gz AEBFAGRLQYPWMW-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO Cc1ccc(CSC2CCOCC2)c(C)[nH+]1 ZINC000335788433 355439336 /nfs/dbraw/zinc/43/93/36/355439336.db2.gz WAJNJEATRNUXQD-UHFFFAOYSA-N 1 2 237.368 3.111 20 0 BGADLO C[C@@H]1CCCC[N@H+]1Cc1ncc(Cl)s1 ZINC000335790960 176074404 /nfs/dbraw/zinc/07/44/04/176074404.db2.gz NJNDOHXNDFBOBV-MRVPVSSYSA-N 1 2 230.764 3.171 20 0 BGADLO C[C@@H]1CCCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000335790960 176074401 /nfs/dbraw/zinc/07/44/01/176074401.db2.gz NJNDOHXNDFBOBV-MRVPVSSYSA-N 1 2 230.764 3.171 20 0 BGADLO C[C@H]1CCCC[N@H+]1Cc1ncc(Cl)s1 ZINC000335790961 355443101 /nfs/dbraw/zinc/44/31/01/355443101.db2.gz NJNDOHXNDFBOBV-QMMMGPOBSA-N 1 2 230.764 3.171 20 0 BGADLO C[C@H]1CCCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000335790961 355443098 /nfs/dbraw/zinc/44/30/98/355443098.db2.gz NJNDOHXNDFBOBV-QMMMGPOBSA-N 1 2 230.764 3.171 20 0 BGADLO CC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000335791037 133908304 /nfs/dbraw/zinc/90/83/04/133908304.db2.gz VHFASNZSQAHTRM-UHFFFAOYSA-N 1 2 230.764 3.028 20 0 BGADLO Cc1ccc(CSc2ccccn2)c(C)[nH+]1 ZINC000335803814 355473494 /nfs/dbraw/zinc/47/34/94/355473494.db2.gz YPHLZZHSNHMVDS-UHFFFAOYSA-N 1 2 230.336 3.386 20 0 BGADLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000335815263 355504563 /nfs/dbraw/zinc/50/45/63/355504563.db2.gz XFJFMMBPHLERMH-GXTWGEPZSA-N 1 2 242.322 3.491 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000335815263 355504560 /nfs/dbraw/zinc/50/45/60/355504560.db2.gz XFJFMMBPHLERMH-GXTWGEPZSA-N 1 2 242.322 3.491 20 0 BGADLO Cc1cnc([C@H](C)[N@H+]2CC[C@H]2c2ccccc2)o1 ZINC000335815264 355504553 /nfs/dbraw/zinc/50/45/53/355504553.db2.gz XFJFMMBPHLERMH-JSGCOSHPSA-N 1 2 242.322 3.491 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H]2c2ccccc2)o1 ZINC000335815264 355504550 /nfs/dbraw/zinc/50/45/50/355504550.db2.gz XFJFMMBPHLERMH-JSGCOSHPSA-N 1 2 242.322 3.491 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@H]2c2ccccc2)o1 ZINC000335815265 355504469 /nfs/dbraw/zinc/50/44/69/355504469.db2.gz XFJFMMBPHLERMH-OCCSQVGLSA-N 1 2 242.322 3.491 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H]2c2ccccc2)o1 ZINC000335815265 355504465 /nfs/dbraw/zinc/50/44/65/355504465.db2.gz XFJFMMBPHLERMH-OCCSQVGLSA-N 1 2 242.322 3.491 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000335815266 355504485 /nfs/dbraw/zinc/50/44/85/355504485.db2.gz XFJFMMBPHLERMH-TZMCWYRMSA-N 1 2 242.322 3.491 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000335815266 355504483 /nfs/dbraw/zinc/50/44/83/355504483.db2.gz XFJFMMBPHLERMH-TZMCWYRMSA-N 1 2 242.322 3.491 20 0 BGADLO Cc1nc([C@@H](C)[NH+]2CCC3(CCCC3)CC2)no1 ZINC000335816523 355506957 /nfs/dbraw/zinc/50/69/57/355506957.db2.gz OYTDSYPZOAXKJU-LLVKDONJSA-N 1 2 249.358 3.095 20 0 BGADLO Cc1nc([C@H](C)[NH+]2CCC3(CCCC3)CC2)no1 ZINC000335816524 355507343 /nfs/dbraw/zinc/50/73/43/355507343.db2.gz OYTDSYPZOAXKJU-NSHDSACASA-N 1 2 249.358 3.095 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+]2Cc3ccc(C)cc3C2)o1 ZINC000335826243 355550161 /nfs/dbraw/zinc/55/01/61/355550161.db2.gz BVWXYCDABVFJTO-GFCCVEGCSA-N 1 2 242.322 3.368 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+]2Cc3ccc(C)cc3C2)o1 ZINC000335826243 355550158 /nfs/dbraw/zinc/55/01/58/355550158.db2.gz BVWXYCDABVFJTO-GFCCVEGCSA-N 1 2 242.322 3.368 20 0 BGADLO Cc1cnc([C@H](C)[N@H+]2Cc3ccc(C)cc3C2)o1 ZINC000335826244 355550636 /nfs/dbraw/zinc/55/06/36/355550636.db2.gz BVWXYCDABVFJTO-LBPRGKRZSA-N 1 2 242.322 3.368 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+]2Cc3ccc(C)cc3C2)o1 ZINC000335826244 355550634 /nfs/dbraw/zinc/55/06/34/355550634.db2.gz BVWXYCDABVFJTO-LBPRGKRZSA-N 1 2 242.322 3.368 20 0 BGADLO Cc1ccc(Cl)c(NCc2[nH+]ccn2C)c1C ZINC000335832265 355559300 /nfs/dbraw/zinc/55/93/00/355559300.db2.gz VVNWBHNPCBXDMR-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO Cc1ccccc1C(=O)Nc1c(C)cc[nH+]c1C ZINC000335855373 355599711 /nfs/dbraw/zinc/59/97/11/355599711.db2.gz DBYLRRVJHOSXGH-UHFFFAOYSA-N 1 2 240.306 3.259 20 0 BGADLO CCC1(C(=O)Nc2ccc(C)[nH+]c2C)CCC1 ZINC000335862892 355626150 /nfs/dbraw/zinc/62/61/50/355626150.db2.gz HJRLVUSXBLKZTJ-UHFFFAOYSA-N 1 2 232.327 3.217 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)[C@@H]1C ZINC000335871207 355637820 /nfs/dbraw/zinc/63/78/20/355637820.db2.gz AQXQWMNKQJXYQG-HTQZYQBOSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)[C@@H]1C ZINC000335871207 355637818 /nfs/dbraw/zinc/63/78/18/355637818.db2.gz AQXQWMNKQJXYQG-HTQZYQBOSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ncc(Cl)s1 ZINC000335871208 355637773 /nfs/dbraw/zinc/63/77/73/355637773.db2.gz AQXQWMNKQJXYQG-JGVFFNPUSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ncc(Cl)s1 ZINC000335871208 355637770 /nfs/dbraw/zinc/63/77/70/355637770.db2.gz AQXQWMNKQJXYQG-JGVFFNPUSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)[C@H]1C ZINC000335871209 355637991 /nfs/dbraw/zinc/63/79/91/355637991.db2.gz AQXQWMNKQJXYQG-SFYZADRCSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)[C@H]1C ZINC000335871209 355637990 /nfs/dbraw/zinc/63/79/90/355637990.db2.gz AQXQWMNKQJXYQG-SFYZADRCSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)[C@H]1C ZINC000335871210 355638109 /nfs/dbraw/zinc/63/81/09/355638109.db2.gz AQXQWMNKQJXYQG-YUMQZZPRSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)s2)[C@H]1C ZINC000335871210 355638107 /nfs/dbraw/zinc/63/81/07/355638107.db2.gz AQXQWMNKQJXYQG-YUMQZZPRSA-N 1 2 230.764 3.027 20 0 BGADLO CC[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000335871278 355637809 /nfs/dbraw/zinc/63/78/09/355637809.db2.gz KPEYBAZGBNFJMI-MRVPVSSYSA-N 1 2 230.764 3.028 20 0 BGADLO CC[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000335871278 355637808 /nfs/dbraw/zinc/63/78/08/355637808.db2.gz KPEYBAZGBNFJMI-MRVPVSSYSA-N 1 2 230.764 3.028 20 0 BGADLO CC[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000335871279 355637734 /nfs/dbraw/zinc/63/77/34/355637734.db2.gz KPEYBAZGBNFJMI-QMMMGPOBSA-N 1 2 230.764 3.028 20 0 BGADLO CC[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000335871279 355637731 /nfs/dbraw/zinc/63/77/31/355637731.db2.gz KPEYBAZGBNFJMI-QMMMGPOBSA-N 1 2 230.764 3.028 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C1CCCCC1 ZINC000335873730 355641340 /nfs/dbraw/zinc/64/13/40/355641340.db2.gz VXUGBJAZQPHOAM-UHFFFAOYSA-N 1 2 232.327 3.217 20 0 BGADLO CC1=C(C(=O)Nc2ccc(C)[nH+]c2C)CCC1 ZINC000335874974 355644216 /nfs/dbraw/zinc/64/42/16/355644216.db2.gz RKAKRDRFDQAMCE-UHFFFAOYSA-N 1 2 230.311 3.137 20 0 BGADLO Oc1cccc(CNc2cccc[nH+]2)c1Cl ZINC000335895661 183291786 /nfs/dbraw/zinc/29/17/86/183291786.db2.gz IZKZHPDKCFJWAM-UHFFFAOYSA-N 1 2 234.686 3.053 20 0 BGADLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)cn1)C2 ZINC000335905709 386796096 /nfs/dbraw/zinc/79/60/96/386796096.db2.gz YYQIDIANMFEZTQ-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)cn1)C2 ZINC000335905709 386796090 /nfs/dbraw/zinc/79/60/90/386796090.db2.gz YYQIDIANMFEZTQ-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1coc(C)c1C(=O)Nc1ccc(C)[nH+]c1C ZINC000335931819 134010868 /nfs/dbraw/zinc/01/08/68/134010868.db2.gz QHKVBDVYBDVQEN-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2C[C@@H]2C(F)F)c1Cl ZINC000335937850 388454893 /nfs/dbraw/zinc/45/48/93/388454893.db2.gz IVDGUVXQTWQGJW-BQBZGAKWSA-N 1 2 232.661 3.109 20 0 BGADLO Cc1ccc(N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1F ZINC000335954216 384737044 /nfs/dbraw/zinc/73/70/44/384737044.db2.gz SYUYLUAYUCDXEF-GWCFXTLKSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1F ZINC000335954217 384736010 /nfs/dbraw/zinc/73/60/10/384736010.db2.gz SYUYLUAYUCDXEF-GXFFZTMASA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1F ZINC000335954218 384736435 /nfs/dbraw/zinc/73/64/35/384736435.db2.gz SYUYLUAYUCDXEF-MFKMUULPSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1F ZINC000335954219 384734957 /nfs/dbraw/zinc/73/49/57/384734957.db2.gz SYUYLUAYUCDXEF-ZWNOBZJWSA-N 1 2 245.301 3.449 20 0 BGADLO Cc1csc(C(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000335955427 179766566 /nfs/dbraw/zinc/76/65/66/179766566.db2.gz BFTUZBBDTNZHRY-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO Clc1cccc2c1C[N@@H+](Cc1ccncc1)C2 ZINC000335960179 134026568 /nfs/dbraw/zinc/02/65/68/134026568.db2.gz OKMNZRDYCBQWBC-UHFFFAOYSA-N 1 2 244.725 3.251 20 0 BGADLO Clc1cccc2c1C[N@H+](Cc1ccncc1)C2 ZINC000335960179 134026567 /nfs/dbraw/zinc/02/65/67/134026567.db2.gz OKMNZRDYCBQWBC-UHFFFAOYSA-N 1 2 244.725 3.251 20 0 BGADLO Cc1cc(N2CCC[C@@H]2c2cccs2)nc[nH+]1 ZINC000335960359 134026453 /nfs/dbraw/zinc/02/64/53/134026453.db2.gz AKWAVRPZBFGFSW-LLVKDONJSA-N 1 2 245.351 3.188 20 0 BGADLO Cc1cc(N2CCC[C@H]2c2cccs2)nc[nH+]1 ZINC000335960360 134026306 /nfs/dbraw/zinc/02/63/06/134026306.db2.gz AKWAVRPZBFGFSW-NSHDSACASA-N 1 2 245.351 3.188 20 0 BGADLO FC1=CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000335960835 134026366 /nfs/dbraw/zinc/02/63/66/134026366.db2.gz GQLGRNNHGNDPFF-UHFFFAOYSA-N 1 2 245.297 3.022 20 0 BGADLO FC1=CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000335960835 134026365 /nfs/dbraw/zinc/02/63/65/134026365.db2.gz GQLGRNNHGNDPFF-UHFFFAOYSA-N 1 2 245.297 3.022 20 0 BGADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1cncc(F)c1 ZINC000335961943 134026991 /nfs/dbraw/zinc/02/69/91/134026991.db2.gz JTKYHKMAPULGTD-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1cncc(F)c1 ZINC000335961943 134026990 /nfs/dbraw/zinc/02/69/90/134026990.db2.gz JTKYHKMAPULGTD-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1cncc(F)c1 ZINC000335961944 134026739 /nfs/dbraw/zinc/02/67/39/134026739.db2.gz JTKYHKMAPULGTD-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H]1c2ccccc2C[N@H+]1Cc1cncc(F)c1 ZINC000335961944 134026738 /nfs/dbraw/zinc/02/67/38/134026738.db2.gz JTKYHKMAPULGTD-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO CCN(C(=O)Nc1c(C)cc[nH+]c1C)C1CCC1 ZINC000335963434 134027358 /nfs/dbraw/zinc/02/73/58/134027358.db2.gz CCOKORLQGBJRQV-UHFFFAOYSA-N 1 2 247.342 3.105 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NC(C)(C)C1CC1 ZINC000335963741 134027543 /nfs/dbraw/zinc/02/75/43/134027543.db2.gz VTTFOVPSBSVSCV-UHFFFAOYSA-N 1 2 247.342 3.009 20 0 BGADLO c1ncc(CNc2c[nH+]c3c(c2)CCCC3)s1 ZINC000335975663 134030968 /nfs/dbraw/zinc/03/09/68/134030968.db2.gz SMHUATQFILLBHL-UHFFFAOYSA-N 1 2 245.351 3.029 20 0 BGADLO c1nc(CNc2c[nH+]c3c(c2)CCCC3)cs1 ZINC000335975664 134031500 /nfs/dbraw/zinc/03/15/00/134031500.db2.gz SOEHYVIGPXCXHD-UHFFFAOYSA-N 1 2 245.351 3.029 20 0 BGADLO Clc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000335988715 134039441 /nfs/dbraw/zinc/03/94/41/134039441.db2.gz BOSZCAAVBPMMIC-UHFFFAOYSA-N 1 2 230.698 3.255 20 0 BGADLO CC(C)(C)c1cc(C[N@H+]2CCC23CCC3)no1 ZINC000336009184 535105777 /nfs/dbraw/zinc/10/57/77/535105777.db2.gz MTAOTOYSRHKRSX-UHFFFAOYSA-N 1 2 234.343 3.101 20 0 BGADLO CC(C)(C)c1cc(C[N@@H+]2CCC23CCC3)no1 ZINC000336009184 535105775 /nfs/dbraw/zinc/10/57/75/535105775.db2.gz MTAOTOYSRHKRSX-UHFFFAOYSA-N 1 2 234.343 3.101 20 0 BGADLO CC(C)=C(F)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000336012143 134051808 /nfs/dbraw/zinc/05/18/08/134051808.db2.gz SIHJUPIXHPZNNI-UHFFFAOYSA-N 1 2 247.273 3.084 20 0 BGADLO FC1=CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000336023120 134056465 /nfs/dbraw/zinc/05/64/65/134056465.db2.gz KZCNRBIYIAWUJB-CYBMUJFWSA-N 1 2 239.334 3.037 20 0 BGADLO FC1=CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000336023120 134056464 /nfs/dbraw/zinc/05/64/64/134056464.db2.gz KZCNRBIYIAWUJB-CYBMUJFWSA-N 1 2 239.334 3.037 20 0 BGADLO FC1=CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000336023121 134056651 /nfs/dbraw/zinc/05/66/51/134056651.db2.gz KZCNRBIYIAWUJB-ZDUSSCGKSA-N 1 2 239.334 3.037 20 0 BGADLO FC1=CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000336023121 134056650 /nfs/dbraw/zinc/05/66/50/134056650.db2.gz KZCNRBIYIAWUJB-ZDUSSCGKSA-N 1 2 239.334 3.037 20 0 BGADLO C[C@@H](c1cnccn1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000336040473 134061863 /nfs/dbraw/zinc/06/18/63/134061863.db2.gz LVIXCNMNEOHCPK-NEPJUHHUSA-N 1 2 239.322 3.114 20 0 BGADLO C[C@@H](c1cnccn1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000336040473 134061862 /nfs/dbraw/zinc/06/18/62/134061862.db2.gz LVIXCNMNEOHCPK-NEPJUHHUSA-N 1 2 239.322 3.114 20 0 BGADLO C[C@H](c1cnccn1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000336040474 134062184 /nfs/dbraw/zinc/06/21/84/134062184.db2.gz LVIXCNMNEOHCPK-NWDGAFQWSA-N 1 2 239.322 3.114 20 0 BGADLO C[C@H](c1cnccn1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000336040474 134062183 /nfs/dbraw/zinc/06/21/83/134062183.db2.gz LVIXCNMNEOHCPK-NWDGAFQWSA-N 1 2 239.322 3.114 20 0 BGADLO C[C@@H](c1cnccn1)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000336040475 134061949 /nfs/dbraw/zinc/06/19/49/134061949.db2.gz LVIXCNMNEOHCPK-RYUDHWBXSA-N 1 2 239.322 3.114 20 0 BGADLO C[C@@H](c1cnccn1)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000336040475 134061948 /nfs/dbraw/zinc/06/19/48/134061948.db2.gz LVIXCNMNEOHCPK-RYUDHWBXSA-N 1 2 239.322 3.114 20 0 BGADLO C[C@H](c1cnccn1)[N@H+]1Cc2ccccc2[C@H]1C ZINC000336040476 134061906 /nfs/dbraw/zinc/06/19/06/134061906.db2.gz LVIXCNMNEOHCPK-VXGBXAGGSA-N 1 2 239.322 3.114 20 0 BGADLO C[C@H](c1cnccn1)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000336040476 134061905 /nfs/dbraw/zinc/06/19/05/134061905.db2.gz LVIXCNMNEOHCPK-VXGBXAGGSA-N 1 2 239.322 3.114 20 0 BGADLO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc21)c1ccco1 ZINC000336049146 134064302 /nfs/dbraw/zinc/06/43/02/134064302.db2.gz MQQKZLFJBHJDOL-BXKDBHETSA-N 1 2 247.269 3.203 20 0 BGADLO C[C@H]([NH2+][C@H]1COc2ccc(F)cc21)c1ccco1 ZINC000336049147 134064451 /nfs/dbraw/zinc/06/44/51/134064451.db2.gz MQQKZLFJBHJDOL-CABZTGNLSA-N 1 2 247.269 3.203 20 0 BGADLO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc21)c1ccco1 ZINC000336049148 134064230 /nfs/dbraw/zinc/06/42/30/134064230.db2.gz MQQKZLFJBHJDOL-JOYOIKCWSA-N 1 2 247.269 3.203 20 0 BGADLO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc21)c1ccco1 ZINC000336049520 134064472 /nfs/dbraw/zinc/06/44/72/134064472.db2.gz MQQKZLFJBHJDOL-SKDRFNHKSA-N 1 2 247.269 3.203 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000336055218 134065883 /nfs/dbraw/zinc/06/58/83/134065883.db2.gz WIADLCDCWMGLPR-AOOOYVTPSA-N 1 2 248.351 3.386 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1csc(-c2ccco2)n1 ZINC000336055218 134065882 /nfs/dbraw/zinc/06/58/82/134065882.db2.gz WIADLCDCWMGLPR-AOOOYVTPSA-N 1 2 248.351 3.386 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1csc(-c2ccco2)n1 ZINC000336055219 134065763 /nfs/dbraw/zinc/06/57/63/134065763.db2.gz WIADLCDCWMGLPR-NXEZZACHSA-N 1 2 248.351 3.386 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1csc(-c2ccco2)n1 ZINC000336055220 134066037 /nfs/dbraw/zinc/06/60/37/134066037.db2.gz WIADLCDCWMGLPR-UWVGGRQHSA-N 1 2 248.351 3.386 20 0 BGADLO Cc1cc(N2CCC23CCC3)nc(C(C)C)[nH+]1 ZINC000336055730 134066467 /nfs/dbraw/zinc/06/64/67/134066467.db2.gz SJKOLHUNBNLBMB-UHFFFAOYSA-N 1 2 231.343 3.041 20 0 BGADLO CC1(C)CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336065689 535318198 /nfs/dbraw/zinc/31/81/98/535318198.db2.gz UAKFXBHUQZVRRP-UHFFFAOYSA-N 1 2 230.764 3.028 20 0 BGADLO CC1(C)CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336065689 535318195 /nfs/dbraw/zinc/31/81/95/535318195.db2.gz UAKFXBHUQZVRRP-UHFFFAOYSA-N 1 2 230.764 3.028 20 0 BGADLO CC(C)[C@H]1CC[N@H+]1Cc1ncc(Cl)s1 ZINC000336066412 386175162 /nfs/dbraw/zinc/17/51/62/386175162.db2.gz DSUGLRMSVRFUNO-MRVPVSSYSA-N 1 2 230.764 3.027 20 0 BGADLO CC(C)[C@H]1CC[N@@H+]1Cc1ncc(Cl)s1 ZINC000336066412 386175159 /nfs/dbraw/zinc/17/51/59/386175159.db2.gz DSUGLRMSVRFUNO-MRVPVSSYSA-N 1 2 230.764 3.027 20 0 BGADLO CC(C)[C@@H]1CC[N@H+]1Cc1ncc(Cl)s1 ZINC000336066413 188351807 /nfs/dbraw/zinc/35/18/07/188351807.db2.gz DSUGLRMSVRFUNO-QMMMGPOBSA-N 1 2 230.764 3.027 20 0 BGADLO CC(C)[C@@H]1CC[N@@H+]1Cc1ncc(Cl)s1 ZINC000336066413 188351805 /nfs/dbraw/zinc/35/18/05/188351805.db2.gz DSUGLRMSVRFUNO-QMMMGPOBSA-N 1 2 230.764 3.027 20 0 BGADLO CC1(C)CCC[N@H+]1Cc1ncc(Cl)s1 ZINC000336066438 350719482 /nfs/dbraw/zinc/71/94/82/350719482.db2.gz GHEYPVPIJOPWAS-UHFFFAOYSA-N 1 2 230.764 3.171 20 0 BGADLO CC1(C)CCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000336066438 350719478 /nfs/dbraw/zinc/71/94/78/350719478.db2.gz GHEYPVPIJOPWAS-UHFFFAOYSA-N 1 2 230.764 3.171 20 0 BGADLO CC[C@@H]1CCC[N@H+]1Cc1ncc(Cl)s1 ZINC000336067360 535820659 /nfs/dbraw/zinc/82/06/59/535820659.db2.gz PTNTYHCEIJTEOP-MRVPVSSYSA-N 1 2 230.764 3.171 20 0 BGADLO CC[C@@H]1CCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000336067360 535820658 /nfs/dbraw/zinc/82/06/58/535820658.db2.gz PTNTYHCEIJTEOP-MRVPVSSYSA-N 1 2 230.764 3.171 20 0 BGADLO CC[C@H]1CCC[N@H+]1Cc1ncc(Cl)s1 ZINC000336067361 536071759 /nfs/dbraw/zinc/07/17/59/536071759.db2.gz PTNTYHCEIJTEOP-QMMMGPOBSA-N 1 2 230.764 3.171 20 0 BGADLO CC[C@H]1CCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000336067361 536071756 /nfs/dbraw/zinc/07/17/56/536071756.db2.gz PTNTYHCEIJTEOP-QMMMGPOBSA-N 1 2 230.764 3.171 20 0 BGADLO Cc1ccc(CN(C)c2cccc(O)c2)c(C)[nH+]1 ZINC000336077135 134073929 /nfs/dbraw/zinc/07/39/29/134073929.db2.gz RDJQAKRFAXTKOR-UHFFFAOYSA-N 1 2 242.322 3.040 20 0 BGADLO Cc1noc(C)c1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000336086040 134076497 /nfs/dbraw/zinc/07/64/97/134076497.db2.gz QPASOBVBGBEYIU-UHFFFAOYSA-N 1 2 242.322 3.116 20 0 BGADLO Cc1noc(C)c1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000336086040 134076496 /nfs/dbraw/zinc/07/64/96/134076496.db2.gz QPASOBVBGBEYIU-UHFFFAOYSA-N 1 2 242.322 3.116 20 0 BGADLO Cc1ccc2c(c1)CC[N@H+](Cc1nccs1)C2 ZINC000336089194 134077963 /nfs/dbraw/zinc/07/79/63/134077963.db2.gz VMVJRWGYFBHFBE-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1ccc2c(c1)CC[N@@H+](Cc1nccs1)C2 ZINC000336089194 134077962 /nfs/dbraw/zinc/07/79/62/134077962.db2.gz VMVJRWGYFBHFBE-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1ccc2c(c1)CC[N@H+](Cc1cscn1)C2 ZINC000336089205 134077717 /nfs/dbraw/zinc/07/77/17/134077717.db2.gz YKCHDWWIYQMQEV-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1ccc2c(c1)CC[N@@H+](Cc1cscn1)C2 ZINC000336089205 134077716 /nfs/dbraw/zinc/07/77/16/134077716.db2.gz YKCHDWWIYQMQEV-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO FC1=CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000336106953 538102970 /nfs/dbraw/zinc/10/29/70/538102970.db2.gz SPTKDQGLVZKDQD-UHFFFAOYSA-N 1 2 238.331 3.080 20 0 BGADLO FC1=CCC[N@H+](Cc2scnc2C2CC2)C1 ZINC000336106953 538102968 /nfs/dbraw/zinc/10/29/68/538102968.db2.gz SPTKDQGLVZKDQD-UHFFFAOYSA-N 1 2 238.331 3.080 20 0 BGADLO Cc1cnc([C@H](C)[N@H+]2CCc3sccc3C2)o1 ZINC000336125967 134092847 /nfs/dbraw/zinc/09/28/47/134092847.db2.gz LKZULLISXIZWJW-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+]2CCc3sccc3C2)o1 ZINC000336125967 134092846 /nfs/dbraw/zinc/09/28/46/134092846.db2.gz LKZULLISXIZWJW-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+]2CCc3sccc3C2)o1 ZINC000336125968 134092949 /nfs/dbraw/zinc/09/29/49/134092949.db2.gz LKZULLISXIZWJW-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+]2CCc3sccc3C2)o1 ZINC000336125968 134092948 /nfs/dbraw/zinc/09/29/48/134092948.db2.gz LKZULLISXIZWJW-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc(F)cc2)c2[nH+]ccn21 ZINC000336143573 398345026 /nfs/dbraw/zinc/34/50/26/398345026.db2.gz VGQATHYIWNFUPJ-BXKDBHETSA-N 1 2 231.274 3.140 20 0 BGADLO C[C@H]1C[C@H](Nc2ccc(F)cc2)c2[nH+]ccn21 ZINC000336143574 398345008 /nfs/dbraw/zinc/34/50/08/398345008.db2.gz VGQATHYIWNFUPJ-CABZTGNLSA-N 1 2 231.274 3.140 20 0 BGADLO C[C@H]1C[C@@H](Nc2ccc(F)cc2)c2[nH+]ccn21 ZINC000336143575 398345071 /nfs/dbraw/zinc/34/50/71/398345071.db2.gz VGQATHYIWNFUPJ-JOYOIKCWSA-N 1 2 231.274 3.140 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc(F)cc2)c2[nH+]ccn21 ZINC000336143576 398345095 /nfs/dbraw/zinc/34/50/95/398345095.db2.gz VGQATHYIWNFUPJ-SKDRFNHKSA-N 1 2 231.274 3.140 20 0 BGADLO Cc1cc(C)c(NC(=O)N2CCC[C@H]2C)c(C)[nH+]1 ZINC000336144551 134101871 /nfs/dbraw/zinc/10/18/71/134101871.db2.gz BTXGMFYSNDUATC-LLVKDONJSA-N 1 2 247.342 3.023 20 0 BGADLO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2C)c(C)[nH+]1 ZINC000336144552 134101769 /nfs/dbraw/zinc/10/17/69/134101769.db2.gz BTXGMFYSNDUATC-NSHDSACASA-N 1 2 247.342 3.023 20 0 BGADLO CC1=CCC[N@H+]([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000336145434 134102421 /nfs/dbraw/zinc/10/24/21/134102421.db2.gz XBIFGAVJXVKMDR-LLVKDONJSA-N 1 2 249.358 3.080 20 0 BGADLO CC1=CCC[N@@H+]([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000336145434 134102420 /nfs/dbraw/zinc/10/24/20/134102420.db2.gz XBIFGAVJXVKMDR-LLVKDONJSA-N 1 2 249.358 3.080 20 0 BGADLO CC1=CCC[N@H+]([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000336145435 134102372 /nfs/dbraw/zinc/10/23/72/134102372.db2.gz XBIFGAVJXVKMDR-NSHDSACASA-N 1 2 249.358 3.080 20 0 BGADLO CC1=CCC[N@@H+]([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000336145435 134102371 /nfs/dbraw/zinc/10/23/71/134102371.db2.gz XBIFGAVJXVKMDR-NSHDSACASA-N 1 2 249.358 3.080 20 0 BGADLO CCC(C)(C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000336147244 134102522 /nfs/dbraw/zinc/10/25/22/134102522.db2.gz FSNJZMAWJOPIRP-UHFFFAOYSA-N 1 2 249.358 3.317 20 0 BGADLO Cc1nc(C[NH+]2Cc3ccccc3C2)c(C)s1 ZINC000336167518 134113844 /nfs/dbraw/zinc/11/38/44/134113844.db2.gz KJMLIWTXVIOHTH-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO CC(C)c1nnc(C[N@H+]2CCCC[C@@H]2C)s1 ZINC000336190727 534970504 /nfs/dbraw/zinc/97/05/04/534970504.db2.gz YHFIUQITQABHQN-JTQLQIEISA-N 1 2 239.388 3.036 20 0 BGADLO CC(C)c1nnc(C[N@@H+]2CCCC[C@@H]2C)s1 ZINC000336190727 534970501 /nfs/dbraw/zinc/97/05/01/534970501.db2.gz YHFIUQITQABHQN-JTQLQIEISA-N 1 2 239.388 3.036 20 0 BGADLO CC(C)c1nnc(C[N@H+]2CCCC[C@H]2C)s1 ZINC000336190728 534971463 /nfs/dbraw/zinc/97/14/63/534971463.db2.gz YHFIUQITQABHQN-SNVBAGLBSA-N 1 2 239.388 3.036 20 0 BGADLO CC(C)c1nnc(C[N@@H+]2CCCC[C@H]2C)s1 ZINC000336190728 534971460 /nfs/dbraw/zinc/97/14/60/534971460.db2.gz YHFIUQITQABHQN-SNVBAGLBSA-N 1 2 239.388 3.036 20 0 BGADLO c1csc(C[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000336193694 134124919 /nfs/dbraw/zinc/12/49/19/134124919.db2.gz QYTBGRXUIPMTLI-GFCCVEGCSA-N 1 2 230.336 3.090 20 0 BGADLO c1csc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000336193694 134124918 /nfs/dbraw/zinc/12/49/18/134124918.db2.gz QYTBGRXUIPMTLI-GFCCVEGCSA-N 1 2 230.336 3.090 20 0 BGADLO c1csc(C[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC000336193695 134124607 /nfs/dbraw/zinc/12/46/07/134124607.db2.gz QYTBGRXUIPMTLI-LBPRGKRZSA-N 1 2 230.336 3.090 20 0 BGADLO c1csc(C[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC000336193695 134124606 /nfs/dbraw/zinc/12/46/06/134124606.db2.gz QYTBGRXUIPMTLI-LBPRGKRZSA-N 1 2 230.336 3.090 20 0 BGADLO Cc1ccc(C(=O)Nc2c(C)cc[nH+]c2C)s1 ZINC000336201377 134130572 /nfs/dbraw/zinc/13/05/72/134130572.db2.gz ICRDGYGYKDWFBX-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)c1cccc(F)c1 ZINC000336201471 134130784 /nfs/dbraw/zinc/13/07/84/134130784.db2.gz WGMWITICFYZZCN-UHFFFAOYSA-N 1 2 244.269 3.090 20 0 BGADLO Fc1cnccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000336211277 134134743 /nfs/dbraw/zinc/13/47/43/134134743.db2.gz HNLKEJBOKLOFCE-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cnccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336211277 134134742 /nfs/dbraw/zinc/13/47/42/134134742.db2.gz HNLKEJBOKLOFCE-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cnccc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000336211278 134134675 /nfs/dbraw/zinc/13/46/75/134134675.db2.gz HNLKEJBOKLOFCE-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cnccc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336211278 134134674 /nfs/dbraw/zinc/13/46/74/134134674.db2.gz HNLKEJBOKLOFCE-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Cc1cc(C[N@H+]2CCC[C@@H]2c2ncc[nH]2)cs1 ZINC000336212941 134135120 /nfs/dbraw/zinc/13/51/20/134135120.db2.gz ZJWPJJHEPWQZPE-GFCCVEGCSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1cc(C[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cs1 ZINC000336212941 134135119 /nfs/dbraw/zinc/13/51/19/134135119.db2.gz ZJWPJJHEPWQZPE-GFCCVEGCSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1cc(C[N@H+]2CCC[C@H]2c2ncc[nH]2)cs1 ZINC000336212942 134135186 /nfs/dbraw/zinc/13/51/86/134135186.db2.gz ZJWPJJHEPWQZPE-LBPRGKRZSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1cc(C[N@@H+]2CCC[C@H]2c2ncc[nH]2)cs1 ZINC000336212942 134135185 /nfs/dbraw/zinc/13/51/85/134135185.db2.gz ZJWPJJHEPWQZPE-LBPRGKRZSA-N 1 2 247.367 3.117 20 0 BGADLO CCc1cnc(C[N@H+]2CCC[C@@](C)(F)C2)s1 ZINC000336215501 536033849 /nfs/dbraw/zinc/03/38/49/536033849.db2.gz SERXNQUXVYXQEV-GFCCVEGCSA-N 1 2 242.363 3.030 20 0 BGADLO CCc1cnc(C[N@@H+]2CCC[C@@](C)(F)C2)s1 ZINC000336215501 536033845 /nfs/dbraw/zinc/03/38/45/536033845.db2.gz SERXNQUXVYXQEV-GFCCVEGCSA-N 1 2 242.363 3.030 20 0 BGADLO CCc1cnc(C[N@H+]2CCC[C@](C)(F)C2)s1 ZINC000336215502 536034913 /nfs/dbraw/zinc/03/49/13/536034913.db2.gz SERXNQUXVYXQEV-LBPRGKRZSA-N 1 2 242.363 3.030 20 0 BGADLO CCc1cnc(C[N@@H+]2CCC[C@](C)(F)C2)s1 ZINC000336215502 536034907 /nfs/dbraw/zinc/03/49/07/536034907.db2.gz SERXNQUXVYXQEV-LBPRGKRZSA-N 1 2 242.363 3.030 20 0 BGADLO Cc1ccc2c(c1)C[N@H+](Cc1ccncc1F)C2 ZINC000336228980 188054105 /nfs/dbraw/zinc/05/41/05/188054105.db2.gz NMWILGKZXRILRM-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1ccc2c(c1)C[N@@H+](Cc1ccncc1F)C2 ZINC000336228980 188054104 /nfs/dbraw/zinc/05/41/04/188054104.db2.gz NMWILGKZXRILRM-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cnc(NCc2c[nH+]c(C)cc2C)s1 ZINC000336257231 387087601 /nfs/dbraw/zinc/08/76/01/387087601.db2.gz KZTRHJCQIBWZRX-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1cc2[nH+]cn(CC[C@@H]3CCOC3)c2cc1C ZINC000336262491 178305739 /nfs/dbraw/zinc/30/57/39/178305739.db2.gz PNRQZXRCUFWQSQ-CYBMUJFWSA-N 1 2 244.338 3.080 20 0 BGADLO Cc1cc2[nH+]cn(CC[C@H]3CCOC3)c2cc1C ZINC000336262492 178306303 /nfs/dbraw/zinc/30/63/03/178306303.db2.gz PNRQZXRCUFWQSQ-ZDUSSCGKSA-N 1 2 244.338 3.080 20 0 BGADLO FC(F)c1cccc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000336263069 387097255 /nfs/dbraw/zinc/09/72/55/387097255.db2.gz PKKZMCFJDBDAIB-LLVKDONJSA-N 1 2 229.245 3.168 20 0 BGADLO FC(F)c1cccc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000336263069 387097251 /nfs/dbraw/zinc/09/72/51/387097251.db2.gz PKKZMCFJDBDAIB-LLVKDONJSA-N 1 2 229.245 3.168 20 0 BGADLO FC(F)c1cccc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000336263070 387097612 /nfs/dbraw/zinc/09/76/12/387097612.db2.gz PKKZMCFJDBDAIB-NSHDSACASA-N 1 2 229.245 3.168 20 0 BGADLO FC(F)c1cccc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000336263070 387097606 /nfs/dbraw/zinc/09/76/06/387097606.db2.gz PKKZMCFJDBDAIB-NSHDSACASA-N 1 2 229.245 3.168 20 0 BGADLO C[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)CC1(F)F ZINC000336263851 176168221 /nfs/dbraw/zinc/16/82/21/176168221.db2.gz DVSJAQZZZLKRCF-MRVPVSSYSA-N 1 2 239.256 3.009 20 0 BGADLO C[C@@H]1CC[N@H+](CC2CC(F)(F)C2)CC1(F)F ZINC000336263851 176168220 /nfs/dbraw/zinc/16/82/20/176168220.db2.gz DVSJAQZZZLKRCF-MRVPVSSYSA-N 1 2 239.256 3.009 20 0 BGADLO C[C@H]1CC[N@@H+](CC2CC(F)(F)C2)CC1(F)F ZINC000336263852 177158615 /nfs/dbraw/zinc/15/86/15/177158615.db2.gz DVSJAQZZZLKRCF-QMMMGPOBSA-N 1 2 239.256 3.009 20 0 BGADLO C[C@H]1CC[N@H+](CC2CC(F)(F)C2)CC1(F)F ZINC000336263852 177158614 /nfs/dbraw/zinc/15/86/14/177158614.db2.gz DVSJAQZZZLKRCF-QMMMGPOBSA-N 1 2 239.256 3.009 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000336267518 387090073 /nfs/dbraw/zinc/09/00/73/387090073.db2.gz VGMKGNRBOMOUBM-AWEZNQCLSA-N 1 2 248.301 3.152 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000336267518 387090070 /nfs/dbraw/zinc/09/00/70/387090070.db2.gz VGMKGNRBOMOUBM-AWEZNQCLSA-N 1 2 248.301 3.152 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000336267519 387091036 /nfs/dbraw/zinc/09/10/36/387091036.db2.gz VGMKGNRBOMOUBM-CQSZACIVSA-N 1 2 248.301 3.152 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000336267519 387091031 /nfs/dbraw/zinc/09/10/31/387091031.db2.gz VGMKGNRBOMOUBM-CQSZACIVSA-N 1 2 248.301 3.152 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000336270002 387103851 /nfs/dbraw/zinc/10/38/51/387103851.db2.gz BQSRVBDUHMRIHX-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000336270002 387103846 /nfs/dbraw/zinc/10/38/46/387103846.db2.gz BQSRVBDUHMRIHX-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000336270003 387103631 /nfs/dbraw/zinc/10/36/31/387103631.db2.gz BQSRVBDUHMRIHX-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000336270003 387103628 /nfs/dbraw/zinc/10/36/28/387103628.db2.gz BQSRVBDUHMRIHX-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO FC1(F)CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000336270796 566306979 /nfs/dbraw/zinc/30/69/79/566306979.db2.gz DFQFONYFPWDDDT-SECBINFHSA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000336270796 566306976 /nfs/dbraw/zinc/30/69/76/566306976.db2.gz DFQFONYFPWDDDT-SECBINFHSA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000336270797 566307274 /nfs/dbraw/zinc/30/72/74/566307274.db2.gz DFQFONYFPWDDDT-VIFPVBQESA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000336270797 566307269 /nfs/dbraw/zinc/30/72/69/566307269.db2.gz DFQFONYFPWDDDT-VIFPVBQESA-N 1 2 239.256 3.153 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000336275426 387106993 /nfs/dbraw/zinc/10/69/93/387106993.db2.gz MNSWWUZMJKGIQS-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000336275426 387106988 /nfs/dbraw/zinc/10/69/88/387106988.db2.gz MNSWWUZMJKGIQS-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000336275427 387105690 /nfs/dbraw/zinc/10/56/90/387105690.db2.gz MNSWWUZMJKGIQS-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000336275427 387105687 /nfs/dbraw/zinc/10/56/87/387105687.db2.gz MNSWWUZMJKGIQS-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO Cc1nc(C[N@H+]2CCC[C@@](C)(F)C2)c(C)s1 ZINC000336275685 384921847 /nfs/dbraw/zinc/92/18/47/384921847.db2.gz ZDIRNQQASPDELI-GFCCVEGCSA-N 1 2 242.363 3.084 20 0 BGADLO Cc1nc(C[N@@H+]2CCC[C@@](C)(F)C2)c(C)s1 ZINC000336275685 384921843 /nfs/dbraw/zinc/92/18/43/384921843.db2.gz ZDIRNQQASPDELI-GFCCVEGCSA-N 1 2 242.363 3.084 20 0 BGADLO Cc1nc(C[N@H+]2CCC[C@](C)(F)C2)c(C)s1 ZINC000336275686 384921831 /nfs/dbraw/zinc/92/18/31/384921831.db2.gz ZDIRNQQASPDELI-LBPRGKRZSA-N 1 2 242.363 3.084 20 0 BGADLO Cc1nc(C[N@@H+]2CCC[C@](C)(F)C2)c(C)s1 ZINC000336275686 384921824 /nfs/dbraw/zinc/92/18/24/384921824.db2.gz ZDIRNQQASPDELI-LBPRGKRZSA-N 1 2 242.363 3.084 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CC23CCCC3)c(C)[nH+]1 ZINC000336315245 387142440 /nfs/dbraw/zinc/14/24/40/387142440.db2.gz ZVGUVCGSXJEZRV-GFCCVEGCSA-N 1 2 244.338 3.217 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CC23CCCC3)c(C)[nH+]1 ZINC000336315246 387142485 /nfs/dbraw/zinc/14/24/85/387142485.db2.gz ZVGUVCGSXJEZRV-LBPRGKRZSA-N 1 2 244.338 3.217 20 0 BGADLO Cc1nc(SCc2ccc(C)[nH+]c2C)[nH]c1C ZINC000336326327 178645388 /nfs/dbraw/zinc/64/53/88/178645388.db2.gz LSULAORWLFBMCK-UHFFFAOYSA-N 1 2 247.367 3.331 20 0 BGADLO Cc1ccc(N[C@H](C)c2cnccc2C)c[nH+]1 ZINC000336330874 387156229 /nfs/dbraw/zinc/15/62/29/387156229.db2.gz JYKSEZNFDVTHEG-GFCCVEGCSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1ccc(N[C@@H](C)c2cnccc2C)c[nH+]1 ZINC000336330881 387156814 /nfs/dbraw/zinc/15/68/14/387156814.db2.gz JYKSEZNFDVTHEG-LBPRGKRZSA-N 1 2 227.311 3.267 20 0 BGADLO F[C@@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000336335326 132247031 /nfs/dbraw/zinc/24/70/31/132247031.db2.gz DAQUNLCKUMXEPH-SECBINFHSA-N 1 2 248.223 3.039 20 0 BGADLO F[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000336335327 132246955 /nfs/dbraw/zinc/24/69/55/132246955.db2.gz DAQUNLCKUMXEPH-VIFPVBQESA-N 1 2 248.223 3.039 20 0 BGADLO Cc1cc[nH+]c(NC2CC(F)(F)C2)c1Cl ZINC000336336209 187231504 /nfs/dbraw/zinc/23/15/04/187231504.db2.gz AMVFNUXXLGXZBV-UHFFFAOYSA-N 1 2 232.661 3.253 20 0 BGADLO Cc1cnc(C[N@H+]2Cc3ccc(C)cc3C2)s1 ZINC000336346605 187367378 /nfs/dbraw/zinc/36/73/78/187367378.db2.gz BTEVHHDQAGBCKN-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO Cc1cnc(C[N@@H+]2Cc3ccc(C)cc3C2)s1 ZINC000336346605 187367376 /nfs/dbraw/zinc/36/73/76/187367376.db2.gz BTEVHHDQAGBCKN-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO CC(C)c1cnc(C[N@H+]2CC[C@@](C)(F)C2)s1 ZINC000336360645 188055100 /nfs/dbraw/zinc/05/51/00/188055100.db2.gz YJZWBYKOAYWNLN-GFCCVEGCSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1cnc(C[N@@H+]2CC[C@@](C)(F)C2)s1 ZINC000336360645 188055098 /nfs/dbraw/zinc/05/50/98/188055098.db2.gz YJZWBYKOAYWNLN-GFCCVEGCSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1cnc(C[N@H+]2CC[C@](C)(F)C2)s1 ZINC000336360646 188055411 /nfs/dbraw/zinc/05/54/11/188055411.db2.gz YJZWBYKOAYWNLN-LBPRGKRZSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1cnc(C[N@@H+]2CC[C@](C)(F)C2)s1 ZINC000336360646 188055410 /nfs/dbraw/zinc/05/54/10/188055410.db2.gz YJZWBYKOAYWNLN-LBPRGKRZSA-N 1 2 242.363 3.200 20 0 BGADLO Cc1cnc([C@@H](C)[NH+]2Cc3ccccc3C2)o1 ZINC000336369137 387200892 /nfs/dbraw/zinc/20/08/92/387200892.db2.gz DAJGCGRJKKDXAU-LLVKDONJSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1cnc([C@H](C)[NH+]2Cc3ccccc3C2)o1 ZINC000336369138 387201160 /nfs/dbraw/zinc/20/11/60/387201160.db2.gz DAJGCGRJKKDXAU-NSHDSACASA-N 1 2 228.295 3.060 20 0 BGADLO Clc1cnc(C[NH+]2CC(C3CCC3)C2)s1 ZINC000336396699 387224586 /nfs/dbraw/zinc/22/45/86/387224586.db2.gz UOXAOKLHYOKRMJ-UHFFFAOYSA-N 1 2 242.775 3.028 20 0 BGADLO FC1(F)CCC12C[NH+](Cc1ccc(Cl)o1)C2 ZINC000336401737 387232117 /nfs/dbraw/zinc/23/21/17/387232117.db2.gz HUPPYVQHOXUKKM-UHFFFAOYSA-N 1 2 247.672 3.164 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)o2)CCC1(F)F ZINC000336403926 176302960 /nfs/dbraw/zinc/30/29/60/176302960.db2.gz DLISRTWYWUBBQB-MRVPVSSYSA-N 1 2 249.688 3.410 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ccc(Cl)o2)CCC1(F)F ZINC000336403926 176302959 /nfs/dbraw/zinc/30/29/59/176302959.db2.gz DLISRTWYWUBBQB-MRVPVSSYSA-N 1 2 249.688 3.410 20 0 BGADLO C[C@H]1C[N@@H+](Cc2ccc(Cl)o2)CCC1(F)F ZINC000336403927 177262549 /nfs/dbraw/zinc/26/25/49/177262549.db2.gz DLISRTWYWUBBQB-QMMMGPOBSA-N 1 2 249.688 3.410 20 0 BGADLO C[C@H]1C[N@H+](Cc2ccc(Cl)o2)CCC1(F)F ZINC000336403927 177262548 /nfs/dbraw/zinc/26/25/48/177262548.db2.gz DLISRTWYWUBBQB-QMMMGPOBSA-N 1 2 249.688 3.410 20 0 BGADLO c1sc(C2CC2)nc1C[N@H+]1CCC12CCC2 ZINC000336408055 387236179 /nfs/dbraw/zinc/23/61/79/387236179.db2.gz LXGPGKQRFXKILZ-UHFFFAOYSA-N 1 2 234.368 3.149 20 0 BGADLO c1sc(C2CC2)nc1C[N@@H+]1CCC12CCC2 ZINC000336408055 387236176 /nfs/dbraw/zinc/23/61/76/387236176.db2.gz LXGPGKQRFXKILZ-UHFFFAOYSA-N 1 2 234.368 3.149 20 0 BGADLO Cc1cc(N[C@@H]2CSc3ccccc32)nc[nH+]1 ZINC000336446895 178183013 /nfs/dbraw/zinc/18/30/13/178183013.db2.gz DBUXUNSYBYQLAP-LLVKDONJSA-N 1 2 243.335 3.044 20 0 BGADLO Cc1cc(N[C@H]2CSc3ccccc32)nc[nH+]1 ZINC000336446896 178190951 /nfs/dbraw/zinc/19/09/51/178190951.db2.gz DBUXUNSYBYQLAP-NSHDSACASA-N 1 2 243.335 3.044 20 0 BGADLO C[N@@H+](Cc1ncc(Cl)s1)[C@@H]1CC1(C)C ZINC000336452745 387279394 /nfs/dbraw/zinc/27/93/94/387279394.db2.gz CRSJHFUIHFBWSC-SSDOTTSWSA-N 1 2 230.764 3.027 20 0 BGADLO C[N@H+](Cc1ncc(Cl)s1)[C@@H]1CC1(C)C ZINC000336452745 387279390 /nfs/dbraw/zinc/27/93/90/387279390.db2.gz CRSJHFUIHFBWSC-SSDOTTSWSA-N 1 2 230.764 3.027 20 0 BGADLO C[N@@H+](Cc1ncc(Cl)s1)[C@H]1CC1(C)C ZINC000336452746 387279904 /nfs/dbraw/zinc/27/99/04/387279904.db2.gz CRSJHFUIHFBWSC-ZETCQYMHSA-N 1 2 230.764 3.027 20 0 BGADLO C[N@H+](Cc1ncc(Cl)s1)[C@H]1CC1(C)C ZINC000336452746 387279900 /nfs/dbraw/zinc/27/99/00/387279900.db2.gz CRSJHFUIHFBWSC-ZETCQYMHSA-N 1 2 230.764 3.027 20 0 BGADLO Cn1c[nH+]cc1CSc1cccc(Cl)c1 ZINC000336456185 387282276 /nfs/dbraw/zinc/28/22/76/387282276.db2.gz JHHJYXCRGFUFIR-UHFFFAOYSA-N 1 2 238.743 3.366 20 0 BGADLO Cc1cnc([C@H](C)[N@H+]2CCc3ccsc3C2)o1 ZINC000336471762 387301271 /nfs/dbraw/zinc/30/12/71/387301271.db2.gz GASVEGIBZUBRSD-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+]2CCc3ccsc3C2)o1 ZINC000336471762 387301264 /nfs/dbraw/zinc/30/12/64/387301264.db2.gz GASVEGIBZUBRSD-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+]2CCc3ccsc3C2)o1 ZINC000336471763 387301683 /nfs/dbraw/zinc/30/16/83/387301683.db2.gz GASVEGIBZUBRSD-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+]2CCc3ccsc3C2)o1 ZINC000336471763 387301679 /nfs/dbraw/zinc/30/16/79/387301679.db2.gz GASVEGIBZUBRSD-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO C[C@@H](F)CCn1c[nH+]c2cc(F)c(F)cc21 ZINC000336476574 175790605 /nfs/dbraw/zinc/79/06/05/175790605.db2.gz BLYZAGYCNCJQTO-SSDOTTSWSA-N 1 2 228.217 3.063 20 0 BGADLO C[C@H](F)CCn1c[nH+]c2cc(F)c(F)cc21 ZINC000336476578 387304486 /nfs/dbraw/zinc/30/44/86/387304486.db2.gz BLYZAGYCNCJQTO-ZETCQYMHSA-N 1 2 228.217 3.063 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000336487678 177319626 /nfs/dbraw/zinc/31/96/26/177319626.db2.gz LKWMGGZBLWTUEQ-AOOOYVTPSA-N 1 2 248.351 3.386 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000336487678 177319624 /nfs/dbraw/zinc/31/96/24/177319624.db2.gz LKWMGGZBLWTUEQ-AOOOYVTPSA-N 1 2 248.351 3.386 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1coc(-c2cccs2)n1 ZINC000336487679 176364192 /nfs/dbraw/zinc/36/41/92/176364192.db2.gz LKWMGGZBLWTUEQ-NXEZZACHSA-N 1 2 248.351 3.386 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1coc(-c2cccs2)n1 ZINC000336487680 177360300 /nfs/dbraw/zinc/36/03/00/177360300.db2.gz LKWMGGZBLWTUEQ-UWVGGRQHSA-N 1 2 248.351 3.386 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccco2)[C@H]1c1ccncc1 ZINC000336498475 356379957 /nfs/dbraw/zinc/37/99/57/356379957.db2.gz WNGWEDWCROEKTR-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccco2)[C@H]1c1ccncc1 ZINC000336498475 356379956 /nfs/dbraw/zinc/37/99/56/356379956.db2.gz WNGWEDWCROEKTR-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccco2)[C@@H]1c1ccncc1 ZINC000336498476 356379744 /nfs/dbraw/zinc/37/97/44/356379744.db2.gz WNGWEDWCROEKTR-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccco2)[C@@H]1c1ccncc1 ZINC000336498476 356379740 /nfs/dbraw/zinc/37/97/40/356379740.db2.gz WNGWEDWCROEKTR-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CCc1nc(C)c(C[NH+]2Cc3ccccc3C2)o1 ZINC000336502451 356381674 /nfs/dbraw/zinc/38/16/74/356381674.db2.gz MZRXVFSIMJYHOY-UHFFFAOYSA-N 1 2 242.322 3.061 20 0 BGADLO Cc1cnc(C[N@H+]2CC[C@@H]2c2ccccc2)s1 ZINC000336507096 387332323 /nfs/dbraw/zinc/33/23/23/387332323.db2.gz CVUPGSPCPISMRT-CYBMUJFWSA-N 1 2 244.363 3.399 20 0 BGADLO Cc1cnc(C[N@@H+]2CC[C@@H]2c2ccccc2)s1 ZINC000336507096 387332318 /nfs/dbraw/zinc/33/23/18/387332318.db2.gz CVUPGSPCPISMRT-CYBMUJFWSA-N 1 2 244.363 3.399 20 0 BGADLO Cc1cnc(C[N@H+]2CC[C@H]2c2ccccc2)s1 ZINC000336507097 387331320 /nfs/dbraw/zinc/33/13/20/387331320.db2.gz CVUPGSPCPISMRT-ZDUSSCGKSA-N 1 2 244.363 3.399 20 0 BGADLO Cc1cnc(C[N@@H+]2CC[C@H]2c2ccccc2)s1 ZINC000336507097 387331318 /nfs/dbraw/zinc/33/13/18/387331318.db2.gz CVUPGSPCPISMRT-ZDUSSCGKSA-N 1 2 244.363 3.399 20 0 BGADLO Cc1nocc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000336510941 387336005 /nfs/dbraw/zinc/33/60/05/387336005.db2.gz VORRIVIGLSGOGG-LLVKDONJSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1nocc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000336510941 387336000 /nfs/dbraw/zinc/33/60/00/387336000.db2.gz VORRIVIGLSGOGG-LLVKDONJSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1nocc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000336510942 387335863 /nfs/dbraw/zinc/33/58/63/387335863.db2.gz VORRIVIGLSGOGG-NSHDSACASA-N 1 2 228.295 3.060 20 0 BGADLO Cc1nocc1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000336510942 387335858 /nfs/dbraw/zinc/33/58/58/387335858.db2.gz VORRIVIGLSGOGG-NSHDSACASA-N 1 2 228.295 3.060 20 0 BGADLO c1ccc(N[C@@H]2CSc3ccccc32)[nH+]c1 ZINC000336513182 385461697 /nfs/dbraw/zinc/46/16/97/385461697.db2.gz ZMEYKBOZVRWPJN-LLVKDONJSA-N 1 2 228.320 3.341 20 0 BGADLO c1ccc(N[C@H]2CSc3ccccc32)[nH+]c1 ZINC000336513187 385460997 /nfs/dbraw/zinc/46/09/97/385460997.db2.gz ZMEYKBOZVRWPJN-NSHDSACASA-N 1 2 228.320 3.341 20 0 BGADLO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccn[nH]1 ZINC000336514002 179223895 /nfs/dbraw/zinc/22/38/95/179223895.db2.gz PBFOVQPHAVXLKP-BXUZGUMPSA-N 1 2 241.338 3.056 20 0 BGADLO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccn[nH]1 ZINC000336514003 179222013 /nfs/dbraw/zinc/22/20/13/179222013.db2.gz PBFOVQPHAVXLKP-FZMZJTMJSA-N 1 2 241.338 3.056 20 0 BGADLO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccn[nH]1 ZINC000336514004 179224334 /nfs/dbraw/zinc/22/43/34/179224334.db2.gz PBFOVQPHAVXLKP-RISCZKNCSA-N 1 2 241.338 3.056 20 0 BGADLO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccn[nH]1 ZINC000336514005 179222324 /nfs/dbraw/zinc/22/23/24/179222324.db2.gz PBFOVQPHAVXLKP-SMDDNHRTSA-N 1 2 241.338 3.056 20 0 BGADLO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336533084 176363794 /nfs/dbraw/zinc/36/37/94/176363794.db2.gz WVGDPDXVTKSVNN-HTQZYQBOSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1C[C@@H](C)[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336533084 176363793 /nfs/dbraw/zinc/36/37/93/176363793.db2.gz WVGDPDXVTKSVNN-HTQZYQBOSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ncc(Cl)s1 ZINC000336533085 177319889 /nfs/dbraw/zinc/31/98/89/177319889.db2.gz WVGDPDXVTKSVNN-JGVFFNPUSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ncc(Cl)s1 ZINC000336533085 177319887 /nfs/dbraw/zinc/31/98/87/177319887.db2.gz WVGDPDXVTKSVNN-JGVFFNPUSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336533092 177317035 /nfs/dbraw/zinc/31/70/35/177317035.db2.gz WVGDPDXVTKSVNN-SFYZADRCSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336533092 177317034 /nfs/dbraw/zinc/31/70/34/177317034.db2.gz WVGDPDXVTKSVNN-SFYZADRCSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@H]1C[C@H](C)[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000336533093 177360145 /nfs/dbraw/zinc/36/01/45/177360145.db2.gz WVGDPDXVTKSVNN-YUMQZZPRSA-N 1 2 230.764 3.027 20 0 BGADLO C[C@H]1C[C@H](C)[N@H+](Cc2ncc(Cl)s2)C1 ZINC000336533093 177360143 /nfs/dbraw/zinc/36/01/43/177360143.db2.gz WVGDPDXVTKSVNN-YUMQZZPRSA-N 1 2 230.764 3.027 20 0 BGADLO Cc1ncc(C[N@H+]2Cc3ccc(C)cc3C2)s1 ZINC000336546565 387367251 /nfs/dbraw/zinc/36/72/51/387367251.db2.gz YIXPUDOPVDLWEP-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO Cc1ncc(C[N@@H+]2Cc3ccc(C)cc3C2)s1 ZINC000336546565 387367248 /nfs/dbraw/zinc/36/72/48/387367248.db2.gz YIXPUDOPVDLWEP-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@H]2C)on1 ZINC000336552702 178009202 /nfs/dbraw/zinc/00/92/02/178009202.db2.gz FVXDQRHKZXEKEK-LLVKDONJSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@H]2C)on1 ZINC000336552702 178009201 /nfs/dbraw/zinc/00/92/01/178009201.db2.gz FVXDQRHKZXEKEK-LLVKDONJSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@@H]2C)on1 ZINC000336552703 178010150 /nfs/dbraw/zinc/01/01/50/178010150.db2.gz FVXDQRHKZXEKEK-NSHDSACASA-N 1 2 228.295 3.060 20 0 BGADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@@H]2C)on1 ZINC000336552703 178010149 /nfs/dbraw/zinc/01/01/49/178010149.db2.gz FVXDQRHKZXEKEK-NSHDSACASA-N 1 2 228.295 3.060 20 0 BGADLO Cc1csc(C[N@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000336554264 387378228 /nfs/dbraw/zinc/37/82/28/387378228.db2.gz KZKSWTZKDWLSPL-CYBMUJFWSA-N 1 2 244.363 3.399 20 0 BGADLO Cc1csc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1 ZINC000336554264 387378224 /nfs/dbraw/zinc/37/82/24/387378224.db2.gz KZKSWTZKDWLSPL-CYBMUJFWSA-N 1 2 244.363 3.399 20 0 BGADLO Cc1csc(C[N@H+]2CC[C@H]2c2ccccc2)n1 ZINC000336554265 387378249 /nfs/dbraw/zinc/37/82/49/387378249.db2.gz KZKSWTZKDWLSPL-ZDUSSCGKSA-N 1 2 244.363 3.399 20 0 BGADLO Cc1csc(C[N@@H+]2CC[C@H]2c2ccccc2)n1 ZINC000336554265 387378243 /nfs/dbraw/zinc/37/82/43/387378243.db2.gz KZKSWTZKDWLSPL-ZDUSSCGKSA-N 1 2 244.363 3.399 20 0 BGADLO CC(C)(C)c1cnc(C[N@H+]2CCC23CCC3)o1 ZINC000336555681 387379702 /nfs/dbraw/zinc/37/97/02/387379702.db2.gz UKBKREUBBLKBNW-UHFFFAOYSA-N 1 2 234.343 3.101 20 0 BGADLO CC(C)(C)c1cnc(C[N@@H+]2CCC23CCC3)o1 ZINC000336555681 387379697 /nfs/dbraw/zinc/37/96/97/387379697.db2.gz UKBKREUBBLKBNW-UHFFFAOYSA-N 1 2 234.343 3.101 20 0 BGADLO C[C@@H](Nc1cccc[nH+]1)c1nc2c(s1)CCC2 ZINC000336588922 387415160 /nfs/dbraw/zinc/41/51/60/387415160.db2.gz SCLMMZIFXLQXJZ-SECBINFHSA-N 1 2 245.351 3.200 20 0 BGADLO C[C@H](Nc1cccc[nH+]1)c1nc2c(s1)CCC2 ZINC000336588923 387414301 /nfs/dbraw/zinc/41/43/01/387414301.db2.gz SCLMMZIFXLQXJZ-VIFPVBQESA-N 1 2 245.351 3.200 20 0 BGADLO CCN(C(=O)Nc1c(C)cc(C)[nH+]c1C)C1CC1 ZINC000336596330 385508113 /nfs/dbraw/zinc/50/81/13/385508113.db2.gz YRROWIMWIBQLAN-UHFFFAOYSA-N 1 2 247.342 3.023 20 0 BGADLO Cc1cc2[nH+]cn(C[C@H]3CCCOC3)c2cc1C ZINC000336610606 178306132 /nfs/dbraw/zinc/30/61/32/178306132.db2.gz OFDFLXPCDBAIAB-CYBMUJFWSA-N 1 2 244.338 3.080 20 0 BGADLO Cc1cc2[nH+]cn(C[C@@H]3CCCOC3)c2cc1C ZINC000336610607 178305708 /nfs/dbraw/zinc/30/57/08/178305708.db2.gz OFDFLXPCDBAIAB-ZDUSSCGKSA-N 1 2 244.338 3.080 20 0 BGADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1cncs1 ZINC000336613683 387455073 /nfs/dbraw/zinc/45/50/73/387455073.db2.gz ITTGFRFCAMPQGU-JTQLQIEISA-N 1 2 230.336 3.220 20 0 BGADLO C[C@H]1c2ccccc2C[N@H+]1Cc1cncs1 ZINC000336613683 387455068 /nfs/dbraw/zinc/45/50/68/387455068.db2.gz ITTGFRFCAMPQGU-JTQLQIEISA-N 1 2 230.336 3.220 20 0 BGADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1cncs1 ZINC000336613686 387454871 /nfs/dbraw/zinc/45/48/71/387454871.db2.gz ITTGFRFCAMPQGU-SNVBAGLBSA-N 1 2 230.336 3.220 20 0 BGADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1cncs1 ZINC000336613686 387454868 /nfs/dbraw/zinc/45/48/68/387454868.db2.gz ITTGFRFCAMPQGU-SNVBAGLBSA-N 1 2 230.336 3.220 20 0 BGADLO CCc1nocc1C[N@H+]1Cc2ccc(C)cc2C1 ZINC000336614420 172098040 /nfs/dbraw/zinc/09/80/40/172098040.db2.gz GPBKXNCSVXQAHR-UHFFFAOYSA-N 1 2 242.322 3.061 20 0 BGADLO CCc1nocc1C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000336614420 172098037 /nfs/dbraw/zinc/09/80/37/172098037.db2.gz GPBKXNCSVXQAHR-UHFFFAOYSA-N 1 2 242.322 3.061 20 0 BGADLO CC1=CC[N@@H+](Cc2csc(C3CC3)n2)CC1 ZINC000336615236 168116351 /nfs/dbraw/zinc/11/63/51/168116351.db2.gz BQOROSSAKJQQKR-UHFFFAOYSA-N 1 2 234.368 3.173 20 0 BGADLO CC1=CC[N@H+](Cc2csc(C3CC3)n2)CC1 ZINC000336615236 168116347 /nfs/dbraw/zinc/11/63/47/168116347.db2.gz BQOROSSAKJQQKR-UHFFFAOYSA-N 1 2 234.368 3.173 20 0 BGADLO C[C@@H]1CC[C@@H](C)N1c1cc[nH+]c2ccncc21 ZINC000336616617 176199630 /nfs/dbraw/zinc/19/96/30/176199630.db2.gz HOBZGIIZLGDQIJ-GHMZBOCLSA-N 1 2 227.311 3.007 20 0 BGADLO C[C@@H]1CC[C@H](C)N1c1cc[nH+]c2ccncc21 ZINC000336616620 177187412 /nfs/dbraw/zinc/18/74/12/177187412.db2.gz HOBZGIIZLGDQIJ-PHIMTYICSA-N 1 2 227.311 3.007 20 0 BGADLO C[C@H]1CC[C@H](C)N1c1cc[nH+]c2ccncc21 ZINC000336616622 177200151 /nfs/dbraw/zinc/20/01/51/177200151.db2.gz HOBZGIIZLGDQIJ-QWRGUYRKSA-N 1 2 227.311 3.007 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000336617228 387458865 /nfs/dbraw/zinc/45/88/65/387458865.db2.gz KMCBWUXBXXJYDO-NOZJJQNGSA-N 1 2 246.354 3.382 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000336617241 387458999 /nfs/dbraw/zinc/45/89/99/387458999.db2.gz KMCBWUXBXXJYDO-RNCFNFMXSA-N 1 2 246.354 3.382 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000336617242 387458883 /nfs/dbraw/zinc/45/88/83/387458883.db2.gz KMCBWUXBXXJYDO-TVQRCGJNSA-N 1 2 246.354 3.382 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000336617243 387458784 /nfs/dbraw/zinc/45/87/84/387458784.db2.gz KMCBWUXBXXJYDO-ZANVPECISA-N 1 2 246.354 3.382 20 0 BGADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccc(F)cn1 ZINC000336622024 387476051 /nfs/dbraw/zinc/47/60/51/387476051.db2.gz GJGARORUVNXYRK-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1ccc(F)cn1 ZINC000336622024 387476046 /nfs/dbraw/zinc/47/60/46/387476046.db2.gz GJGARORUVNXYRK-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1ccc(F)cn1 ZINC000336622025 387476675 /nfs/dbraw/zinc/47/66/75/387476675.db2.gz GJGARORUVNXYRK-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H]1c2ccccc2C[N@H+]1Cc1ccc(F)cn1 ZINC000336622025 387476669 /nfs/dbraw/zinc/47/66/69/387476669.db2.gz GJGARORUVNXYRK-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+]2CCc3ccccc3C2)o1 ZINC000336631594 387485456 /nfs/dbraw/zinc/48/54/56/387485456.db2.gz ZZUSQLKMRQFIOB-GFCCVEGCSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+]2CCc3ccccc3C2)o1 ZINC000336631594 387485451 /nfs/dbraw/zinc/48/54/51/387485451.db2.gz ZZUSQLKMRQFIOB-GFCCVEGCSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cnc([C@H](C)[N@H+]2CCc3ccccc3C2)o1 ZINC000336631595 411470761 /nfs/dbraw/zinc/47/07/61/411470761.db2.gz ZZUSQLKMRQFIOB-LBPRGKRZSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+]2CCc3ccccc3C2)o1 ZINC000336631595 411470758 /nfs/dbraw/zinc/47/07/58/411470758.db2.gz ZZUSQLKMRQFIOB-LBPRGKRZSA-N 1 2 242.322 3.102 20 0 BGADLO FCC[NH2+]Cc1csc(Cl)c1Cl ZINC000336634826 388496734 /nfs/dbraw/zinc/49/67/34/388496734.db2.gz HWTSYEDWUHHIGR-UHFFFAOYSA-N 1 2 228.119 3.114 20 0 BGADLO C[C@@H]([NH2+]C1(C(F)F)CC1)c1cccs1 ZINC000336645707 386616163 /nfs/dbraw/zinc/61/61/63/386616163.db2.gz BWPOUHOPGRQALA-SSDOTTSWSA-N 1 2 217.284 3.196 20 0 BGADLO C[C@H]([NH2+]C1(C(F)F)CC1)c1cccs1 ZINC000336645710 386616145 /nfs/dbraw/zinc/61/61/45/386616145.db2.gz BWPOUHOPGRQALA-ZETCQYMHSA-N 1 2 217.284 3.196 20 0 BGADLO Clc1sccc1C[NH2+]Cc1ccco1 ZINC000336647010 386657059 /nfs/dbraw/zinc/65/70/59/386657059.db2.gz DTISNTGXAZKMDX-UHFFFAOYSA-N 1 2 227.716 3.284 20 0 BGADLO FC(F)C1([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000336651393 385621944 /nfs/dbraw/zinc/62/19/44/385621944.db2.gz JQEAGYOMBQURSX-UHFFFAOYSA-N 1 2 237.702 3.289 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CS[C@H](C(C)C)C1 ZINC000336651485 180228354 /nfs/dbraw/zinc/22/83/54/180228354.db2.gz FGHMORQFEZNKPN-AAEUAGOBSA-N 1 2 236.384 3.332 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CS[C@@H](C(C)C)C1 ZINC000336651494 180227668 /nfs/dbraw/zinc/22/76/68/180227668.db2.gz FGHMORQFEZNKPN-DGCLKSJQSA-N 1 2 236.384 3.332 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CS[C@@H](C(C)C)C1 ZINC000336651496 180228601 /nfs/dbraw/zinc/22/86/01/180228601.db2.gz FGHMORQFEZNKPN-WCQYABFASA-N 1 2 236.384 3.332 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CS[C@H](C(C)C)C1 ZINC000336651498 180228489 /nfs/dbraw/zinc/22/84/89/180228489.db2.gz FGHMORQFEZNKPN-YPMHNXCESA-N 1 2 236.384 3.332 20 0 BGADLO FCCCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000336652605 385644118 /nfs/dbraw/zinc/64/41/18/385644118.db2.gz IOYHKKPIBJNDMP-UHFFFAOYSA-N 1 2 228.217 3.064 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)CC1CC1)C(F)(F)F ZINC000336654141 350420685 /nfs/dbraw/zinc/42/06/85/350420685.db2.gz MHQHCTUEQPJQGI-IONNQARKSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)CC1CC1)C(F)(F)F ZINC000336654143 350420167 /nfs/dbraw/zinc/42/01/67/350420167.db2.gz MHQHCTUEQPJQGI-VXNVDRBHSA-N 1 2 209.255 3.106 20 0 BGADLO CC(C)(C)c1nc(C[NH2+]C(C)(C)CF)cs1 ZINC000336656447 385784131 /nfs/dbraw/zinc/78/41/31/385784131.db2.gz HXZBFKIGZPPIKG-UHFFFAOYSA-N 1 2 244.379 3.278 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)C1CCC1)C(F)(F)F ZINC000336658353 350421986 /nfs/dbraw/zinc/42/19/86/350421986.db2.gz QFANZRFCCTWCEK-IONNQARKSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)C1CCC1)C(F)(F)F ZINC000336658354 350421878 /nfs/dbraw/zinc/42/18/78/350421878.db2.gz QFANZRFCCTWCEK-VXNVDRBHSA-N 1 2 209.255 3.106 20 0 BGADLO Cc1ccc(N[C@@H]2CCC[C@@H]3C[C@@]32C)c[nH+]1 ZINC000336658528 388080752 /nfs/dbraw/zinc/08/07/52/388080752.db2.gz BOWOYJSRJODYAM-BNOWGMLFSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1ccc(N[C@@H]2CCC[C@H]3C[C@]32C)c[nH+]1 ZINC000336658552 388081000 /nfs/dbraw/zinc/08/10/00/388081000.db2.gz BOWOYJSRJODYAM-IACUBPJLSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1nc(NC(C)(C)CC(C)(C)C)cc[nH+]1 ZINC000336658678 180198139 /nfs/dbraw/zinc/19/81/39/180198139.db2.gz BRTKUHXIUIDZML-UHFFFAOYSA-N 1 2 221.348 3.412 20 0 BGADLO Fc1ccc2cc[nH+]c(NCC3CC3)c2c1 ZINC000336658921 388460702 /nfs/dbraw/zinc/46/07/02/388460702.db2.gz AIDVXRZYJXUXQQ-UHFFFAOYSA-N 1 2 216.259 3.196 20 0 BGADLO Fc1ccc2cc[nH+]c(NC3CCC3)c2c1 ZINC000336659211 388082592 /nfs/dbraw/zinc/08/25/92/388082592.db2.gz AQVDMVQNLOKEER-UHFFFAOYSA-N 1 2 216.259 3.338 20 0 BGADLO CSCCCCNc1[nH+]ccc(C)c1Cl ZINC000336659955 175474798 /nfs/dbraw/zinc/47/47/98/175474798.db2.gz BRFMMANUYCKRNC-UHFFFAOYSA-N 1 2 244.791 3.020 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CC[C@@H](F)C2)c1Cl ZINC000336660111 388091323 /nfs/dbraw/zinc/09/13/23/388091323.db2.gz BTGCDOYBNJHUTI-BDAKNGLRSA-N 1 2 228.698 3.346 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CC[C@H](F)C2)c1Cl ZINC000336660118 388091260 /nfs/dbraw/zinc/09/12/60/388091260.db2.gz BTGCDOYBNJHUTI-DTWKUNHWSA-N 1 2 228.698 3.346 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CC[C@H](F)C2)c1Cl ZINC000336660119 388091081 /nfs/dbraw/zinc/09/10/81/388091081.db2.gz BTGCDOYBNJHUTI-IUCAKERBSA-N 1 2 228.698 3.346 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CC[C@@H](F)C2)c1Cl ZINC000336660120 388091811 /nfs/dbraw/zinc/09/18/11/388091811.db2.gz BTGCDOYBNJHUTI-RKDXNWHRSA-N 1 2 228.698 3.346 20 0 BGADLO Cc1cc(C)cc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000336665197 386768832 /nfs/dbraw/zinc/76/88/32/386768832.db2.gz DYKLKVXQKNANQY-UHFFFAOYSA-N 1 2 225.282 3.191 20 0 BGADLO CCSCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000336671704 398182703 /nfs/dbraw/zinc/18/27/03/398182703.db2.gz IHTXCTCHPMUOJW-LLVKDONJSA-N 1 2 245.338 3.336 20 0 BGADLO CCSCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000336671705 398182721 /nfs/dbraw/zinc/18/27/21/398182721.db2.gz IHTXCTCHPMUOJW-NSHDSACASA-N 1 2 245.338 3.336 20 0 BGADLO FC(F)[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000336671879 386815411 /nfs/dbraw/zinc/81/54/11/386815411.db2.gz INACBMXPVMEDDR-GFCCVEGCSA-N 1 2 225.282 3.383 20 0 BGADLO FC(F)[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000336671886 386815458 /nfs/dbraw/zinc/81/54/58/386815458.db2.gz INACBMXPVMEDDR-LBPRGKRZSA-N 1 2 225.282 3.383 20 0 BGADLO CC(C)(C)c1cnc(C[NH2+]C(C)(C)CF)s1 ZINC000336673371 386831328 /nfs/dbraw/zinc/83/13/28/386831328.db2.gz OSAFAZNKTHPNDV-UHFFFAOYSA-N 1 2 244.379 3.278 20 0 BGADLO C[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000336673961 176234288 /nfs/dbraw/zinc/23/42/88/176234288.db2.gz ABIDDCPWMSVGQA-FKTZTGRPSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000336673962 176233734 /nfs/dbraw/zinc/23/37/34/176233734.db2.gz ABIDDCPWMSVGQA-JEZHCXPESA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H]1CC[C@@H]([NH2+][C@@H](C2CC2)C(F)(F)F)C1 ZINC000336673973 176212925 /nfs/dbraw/zinc/21/29/25/176212925.db2.gz ABIDDCPWMSVGQA-QNSHHTMESA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H]1CC[C@@H]([NH2+][C@H](C2CC2)C(F)(F)F)C1 ZINC000336673977 176214249 /nfs/dbraw/zinc/21/42/49/176214249.db2.gz ABIDDCPWMSVGQA-SZEHBUNVSA-N 1 2 221.266 3.106 20 0 BGADLO FC(F)C1([NH2+]Cc2cncs2)CCCCC1 ZINC000336674820 386850355 /nfs/dbraw/zinc/85/03/55/386850355.db2.gz KQAUPNXLKHCZPB-UHFFFAOYSA-N 1 2 246.326 3.201 20 0 BGADLO c1ccc(NC(C2CCC2)C2CCC2)[nH+]c1 ZINC000336676611 385603377 /nfs/dbraw/zinc/60/33/77/385603377.db2.gz PWWXHGQQLLELDN-UHFFFAOYSA-N 1 2 216.328 3.462 20 0 BGADLO CSCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000336677629 385610781 /nfs/dbraw/zinc/61/07/81/385610781.db2.gz MBVURWYAFXSDAI-LLVKDONJSA-N 1 2 245.338 3.336 20 0 BGADLO CSCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000336677631 385610687 /nfs/dbraw/zinc/61/06/87/385610687.db2.gz MBVURWYAFXSDAI-NSHDSACASA-N 1 2 245.338 3.336 20 0 BGADLO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccon1 ZINC000336678616 385620130 /nfs/dbraw/zinc/62/01/30/385620130.db2.gz BYBIWKGCVBIZRQ-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO C[C@H]([NH2+]Cc1ccccc1Cl)c1ccon1 ZINC000336678661 385616198 /nfs/dbraw/zinc/61/61/98/385616198.db2.gz BYBIWKGCVBIZRQ-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO C[C@@H]([NH2+]CCF)c1c(F)cccc1Cl ZINC000336679182 388462849 /nfs/dbraw/zinc/46/28/49/388462849.db2.gz FTSACFYAYCLVIR-SSDOTTSWSA-N 1 2 219.662 3.099 20 0 BGADLO C[C@H]([NH2+]CCF)c1c(F)cccc1Cl ZINC000336679183 388462616 /nfs/dbraw/zinc/46/26/16/388462616.db2.gz FTSACFYAYCLVIR-ZETCQYMHSA-N 1 2 219.662 3.099 20 0 BGADLO FC(F)C1([NH2+]Cc2cc[nH]c2)CCCCC1 ZINC000336679586 385073689 /nfs/dbraw/zinc/07/36/89/385073689.db2.gz NUVJOIGQDQGCPD-UHFFFAOYSA-N 1 2 228.286 3.072 20 0 BGADLO c1nc(C2CC2)c(CNc2cccc[nH+]2)s1 ZINC000336681889 537824060 /nfs/dbraw/zinc/82/40/60/537824060.db2.gz RVBFPYMXACKGEO-UHFFFAOYSA-N 1 2 231.324 3.028 20 0 BGADLO CCCCc1nc(C[NH+](CCC)CCC)no1 ZINC000336683297 169026123 /nfs/dbraw/zinc/02/61/23/169026123.db2.gz DMGICMLMJLGTCL-UHFFFAOYSA-N 1 2 239.363 3.034 20 0 BGADLO FC(F)C1([NH2+]C/C=C\c2ccccc2)CC1 ZINC000336687020 385706148 /nfs/dbraw/zinc/70/61/48/385706148.db2.gz JFMIUVGCQWFGBB-DAXSKMNVSA-N 1 2 223.266 3.087 20 0 BGADLO FC(F)C1([NH2+]C/C=C/c2ccccc2)CC1 ZINC000336687058 385706152 /nfs/dbraw/zinc/70/61/52/385706152.db2.gz JFMIUVGCQWFGBB-QPJJXVBHSA-N 1 2 223.266 3.087 20 0 BGADLO CCC[N@@H+](CCSC(C)C)CC(F)F ZINC000336687446 169168343 /nfs/dbraw/zinc/16/83/43/169168343.db2.gz MUYKTDMDJZMFBV-UHFFFAOYSA-N 1 2 225.348 3.105 20 0 BGADLO CCC[N@H+](CCSC(C)C)CC(F)F ZINC000336687446 169168342 /nfs/dbraw/zinc/16/83/42/169168342.db2.gz MUYKTDMDJZMFBV-UHFFFAOYSA-N 1 2 225.348 3.105 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@H](C)c2cccs2)nc1 ZINC000336691529 386363304 /nfs/dbraw/zinc/36/33/04/386363304.db2.gz IHUSNKZXOCQSCQ-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@H](C)c2cccs2)nc1 ZINC000336691529 386363298 /nfs/dbraw/zinc/36/32/98/386363298.db2.gz IHUSNKZXOCQSCQ-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@H+](C)[C@@H](C)c2cccs2)nc1 ZINC000336691551 386363904 /nfs/dbraw/zinc/36/39/04/386363904.db2.gz IHUSNKZXOCQSCQ-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cnc(C[N@@H+](C)[C@@H](C)c2cccs2)nc1 ZINC000336691551 386363903 /nfs/dbraw/zinc/36/39/03/386363903.db2.gz IHUSNKZXOCQSCQ-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1nc(C[N@H+](C)CCSC(C)C)cs1 ZINC000336691638 386363849 /nfs/dbraw/zinc/36/38/49/386363849.db2.gz MUCOQHNIAUITLJ-UHFFFAOYSA-N 1 2 244.429 3.025 20 0 BGADLO Cc1nc(C[N@@H+](C)CCSC(C)C)cs1 ZINC000336691638 386363847 /nfs/dbraw/zinc/36/38/47/386363847.db2.gz MUCOQHNIAUITLJ-UHFFFAOYSA-N 1 2 244.429 3.025 20 0 BGADLO FC(F)C1([NH2+]Cc2ccco2)CCCCC1 ZINC000336692082 385731862 /nfs/dbraw/zinc/73/18/62/385731862.db2.gz XHOCQLVHKRGCNP-UHFFFAOYSA-N 1 2 229.270 3.337 20 0 BGADLO CCSCCCNc1ccc2ccccc2[nH+]1 ZINC000336696113 387580386 /nfs/dbraw/zinc/58/03/86/387580386.db2.gz JBIILCCSXUOMFC-UHFFFAOYSA-N 1 2 246.379 3.212 20 0 BGADLO CC(C)SCC[N@@H+](CC(F)F)C(C)C ZINC000336696657 167323392 /nfs/dbraw/zinc/32/33/92/167323392.db2.gz UJJWZDYZKQKQAZ-UHFFFAOYSA-N 1 2 225.348 3.104 20 0 BGADLO CC(C)SCC[N@H+](CC(F)F)C(C)C ZINC000336696657 167323388 /nfs/dbraw/zinc/32/33/88/167323388.db2.gz UJJWZDYZKQKQAZ-UHFFFAOYSA-N 1 2 225.348 3.104 20 0 BGADLO Cc1ccoc1C[NH2+]Cc1ccc(Cl)o1 ZINC000336696688 385746542 /nfs/dbraw/zinc/74/65/42/385746542.db2.gz OEAFYWUUVSEKCJ-UHFFFAOYSA-N 1 2 225.675 3.124 20 0 BGADLO Cc1nc(NC(C)(C)C(C)(C)C)cc[nH+]1 ZINC000336699005 180197661 /nfs/dbraw/zinc/19/76/61/180197661.db2.gz OTAJWJXKJXGOAJ-UHFFFAOYSA-N 1 2 207.321 3.022 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CC[C@H]1C1CCC1 ZINC000336700192 180227907 /nfs/dbraw/zinc/22/79/07/180227907.db2.gz NIKXHBFUZLUPLA-GXTWGEPZSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CC[C@H]1C1CCC1 ZINC000336700195 180227571 /nfs/dbraw/zinc/22/75/71/180227571.db2.gz NIKXHBFUZLUPLA-JSGCOSHPSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CC[C@@H]1C1CCC1 ZINC000336700197 180228734 /nfs/dbraw/zinc/22/87/34/180228734.db2.gz NIKXHBFUZLUPLA-OCCSQVGLSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CC[C@@H]1C1CCC1 ZINC000336700199 180227787 /nfs/dbraw/zinc/22/77/87/180227787.db2.gz NIKXHBFUZLUPLA-TZMCWYRMSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1ccnc(C[N@H+](C)[C@H](C)c2cccs2)n1 ZINC000336703531 187321808 /nfs/dbraw/zinc/32/18/08/187321808.db2.gz MQFIRAVHRRUEIW-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccnc(C[N@@H+](C)[C@H](C)c2cccs2)n1 ZINC000336703531 187321807 /nfs/dbraw/zinc/32/18/07/187321807.db2.gz MQFIRAVHRRUEIW-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccnc(C[N@H+](C)[C@@H](C)c2cccs2)n1 ZINC000336703532 386390850 /nfs/dbraw/zinc/39/08/50/386390850.db2.gz MQFIRAVHRRUEIW-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccnc(C[N@@H+](C)[C@@H](C)c2cccs2)n1 ZINC000336703532 386390849 /nfs/dbraw/zinc/39/08/49/386390849.db2.gz MQFIRAVHRRUEIW-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO CC[N@@H+](Cc1noc(C(C)C)n1)CC(C)(C)C ZINC000336704466 350455667 /nfs/dbraw/zinc/45/56/67/350455667.db2.gz KPWHJYHKKMRHCL-UHFFFAOYSA-N 1 2 239.363 3.061 20 0 BGADLO CC[N@H+](Cc1noc(C(C)C)n1)CC(C)(C)C ZINC000336704466 350455663 /nfs/dbraw/zinc/45/56/63/350455663.db2.gz KPWHJYHKKMRHCL-UHFFFAOYSA-N 1 2 239.363 3.061 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000336717150 385835177 /nfs/dbraw/zinc/83/51/77/385835177.db2.gz XVADSYLPQIQGML-DFAYQTQMSA-N 1 2 204.317 3.155 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000336717152 385835692 /nfs/dbraw/zinc/83/56/92/385835692.db2.gz XVADSYLPQIQGML-GMOODISLSA-N 1 2 204.317 3.155 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@H](C)[C@H]2C)c(C)[nH+]1 ZINC000336717153 385835001 /nfs/dbraw/zinc/83/50/01/385835001.db2.gz XVADSYLPQIQGML-IYYTYJHQSA-N 1 2 204.317 3.155 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)c(C)[nH+]1 ZINC000336717154 178774315 /nfs/dbraw/zinc/77/43/15/178774315.db2.gz XVADSYLPQIQGML-ZDSQKVDBSA-N 1 2 204.317 3.155 20 0 BGADLO CCCCc1nc(C[N@@H+](C)C(C)(C)CC)no1 ZINC000336717551 188183013 /nfs/dbraw/zinc/18/30/13/188183013.db2.gz YHQMCEXPEPPNFY-UHFFFAOYSA-N 1 2 239.363 3.033 20 0 BGADLO CCCCc1nc(C[N@H+](C)C(C)(C)CC)no1 ZINC000336717551 188183012 /nfs/dbraw/zinc/18/30/12/188183012.db2.gz YHQMCEXPEPPNFY-UHFFFAOYSA-N 1 2 239.363 3.033 20 0 BGADLO CC(C)SCCNc1ccc2ccccc2[nH+]1 ZINC000336718980 167328747 /nfs/dbraw/zinc/32/87/47/167328747.db2.gz VQPZMCJPEXHNJZ-UHFFFAOYSA-N 1 2 246.379 3.210 20 0 BGADLO COc1cc[nH+]cc1CSc1ccccc1O ZINC000336721287 175372994 /nfs/dbraw/zinc/37/29/94/175372994.db2.gz XNAUYZYRQZHXPM-UHFFFAOYSA-N 1 2 247.319 3.088 20 0 BGADLO CC(C)[C@@H]([NH2+][C@@H]1CCC12CCC2)C(F)(F)F ZINC000336722422 386446351 /nfs/dbraw/zinc/44/63/51/386446351.db2.gz ASFZWEBLRFVCPA-NXEZZACHSA-N 1 2 235.293 3.496 20 0 BGADLO CC(C)[C@@H]([NH2+][C@H]1CCC12CCC2)C(F)(F)F ZINC000336722426 386451582 /nfs/dbraw/zinc/45/15/82/386451582.db2.gz ASFZWEBLRFVCPA-VHSXEESVSA-N 1 2 235.293 3.496 20 0 BGADLO Cc1ccc(C[NH2+]C2(C(F)F)CC2)cc1F ZINC000336723164 388468931 /nfs/dbraw/zinc/46/89/31/388468931.db2.gz DWOKUTXALAZTHM-UHFFFAOYSA-N 1 2 229.245 3.021 20 0 BGADLO COc1cc[nH+]cc1COc1ccc(Cl)cc1 ZINC000336724817 175373607 /nfs/dbraw/zinc/37/36/07/175373607.db2.gz ZKRNRSZKEZUUBG-UHFFFAOYSA-N 1 2 249.697 3.323 20 0 BGADLO COC(C)(C)[C@@H](C)Nc1ccc(SC)c[nH+]1 ZINC000336726508 388469589 /nfs/dbraw/zinc/46/95/89/388469589.db2.gz CBIBPGQPYJUHCP-SECBINFHSA-N 1 2 240.372 3.029 20 0 BGADLO COC(C)(C)[C@H](C)Nc1ccc(SC)c[nH+]1 ZINC000336726511 388470077 /nfs/dbraw/zinc/47/00/77/388470077.db2.gz CBIBPGQPYJUHCP-VIFPVBQESA-N 1 2 240.372 3.029 20 0 BGADLO CC[C@H]1CC[C@H]1Nc1ccc(SC)c[nH+]1 ZINC000336727500 385975946 /nfs/dbraw/zinc/97/59/46/385975946.db2.gz HGLQFORASKKJKP-GXSJLCMTSA-N 1 2 222.357 3.404 20 0 BGADLO CC[C@@H]1CC[C@@H]1Nc1ccc(SC)c[nH+]1 ZINC000336727501 171045058 /nfs/dbraw/zinc/04/50/58/171045058.db2.gz HGLQFORASKKJKP-KOLCDFICSA-N 1 2 222.357 3.404 20 0 BGADLO CC[C@@H]1CC[C@H]1Nc1ccc(SC)c[nH+]1 ZINC000336727502 171060845 /nfs/dbraw/zinc/06/08/45/171060845.db2.gz HGLQFORASKKJKP-MWLCHTKSSA-N 1 2 222.357 3.404 20 0 BGADLO CC[C@H]1CC[C@@H]1Nc1ccc(SC)c[nH+]1 ZINC000336727503 385976045 /nfs/dbraw/zinc/97/60/45/385976045.db2.gz HGLQFORASKKJKP-ONGXEEELSA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc(NC2CC(C)(C)C2)[nH+]c1 ZINC000336727677 386000289 /nfs/dbraw/zinc/00/02/89/386000289.db2.gz HPNJNTBUJPWBRG-UHFFFAOYSA-N 1 2 222.357 3.404 20 0 BGADLO Cc1c[nH+]c(CNc2ccsc2Cl)n1C ZINC000336727680 386001374 /nfs/dbraw/zinc/00/13/74/386001374.db2.gz HPXHLIYZNXUZEX-UHFFFAOYSA-N 1 2 241.747 3.056 20 0 BGADLO Cc1cc[nH+]c(NC[C@H]2CCCS2)c1Cl ZINC000336729994 386151520 /nfs/dbraw/zinc/15/15/20/386151520.db2.gz JNVBCKLIZNOSOH-SECBINFHSA-N 1 2 242.775 3.351 20 0 BGADLO Cc1cc[nH+]c(NC[C@@H]2CCCS2)c1Cl ZINC000336729999 386152407 /nfs/dbraw/zinc/15/24/07/386152407.db2.gz JNVBCKLIZNOSOH-VIFPVBQESA-N 1 2 242.775 3.351 20 0 BGADLO Cc1cc[nH+]c(NCc2ccoc2)c1Cl ZINC000336730098 411439382 /nfs/dbraw/zinc/43/93/82/411439382.db2.gz JQHGMPVSKDAPGI-UHFFFAOYSA-N 1 2 222.675 3.249 20 0 BGADLO CSc1ccc(NCCCC(C)C)[nH+]c1 ZINC000336730798 388471397 /nfs/dbraw/zinc/47/13/97/388471397.db2.gz KJDXXLHQMSEWLY-UHFFFAOYSA-N 1 2 224.373 3.074 20 0 BGADLO CSc1ccc(N[C@@H]2C[C@H](C)[C@@H]2C)[nH+]c1 ZINC000336731264 386320024 /nfs/dbraw/zinc/32/00/24/386320024.db2.gz KRQRHUFHKJFXKF-ATZCPNFKSA-N 1 2 222.357 3.260 20 0 BGADLO CSc1ccc(N[C@@H]2C[C@@H](C)[C@H]2C)[nH+]c1 ZINC000336731435 385559149 /nfs/dbraw/zinc/55/91/49/385559149.db2.gz KRQRHUFHKJFXKF-FXPVBKGRSA-N 1 2 222.357 3.260 20 0 BGADLO CSc1ccc(N[C@@H]2C[C@H](C)[C@H]2C)[nH+]c1 ZINC000336731436 175577606 /nfs/dbraw/zinc/57/76/06/175577606.db2.gz KRQRHUFHKJFXKF-IQJOONFLSA-N 1 2 222.357 3.260 20 0 BGADLO CSc1ccc(N[C@@H]2C[C@@H](C)[C@@H]2C)[nH+]c1 ZINC000336731437 386332731 /nfs/dbraw/zinc/33/27/31/386332731.db2.gz KRQRHUFHKJFXKF-WCABBAIRSA-N 1 2 222.357 3.260 20 0 BGADLO CC[C@H](Nc1cc[nH+]c(C)n1)C(C)(C)C ZINC000336731485 388471206 /nfs/dbraw/zinc/47/12/06/388471206.db2.gz KTAHETHOFRJVNF-JTQLQIEISA-N 1 2 207.321 3.022 20 0 BGADLO CC[C@@H](Nc1cc[nH+]c(C)n1)C(C)(C)C ZINC000336731489 365366194 /nfs/dbraw/zinc/36/61/94/365366194.db2.gz KTAHETHOFRJVNF-SNVBAGLBSA-N 1 2 207.321 3.022 20 0 BGADLO Cc1cc[nH+]c(NC[C@@]2(C)CCCO2)c1Cl ZINC000336733978 385649193 /nfs/dbraw/zinc/64/91/93/385649193.db2.gz KOWPTHAOLMPDCM-GFCCVEGCSA-N 1 2 240.734 3.024 20 0 BGADLO Cc1cc[nH+]c(NC[C@]2(C)CCCO2)c1Cl ZINC000336733982 385652076 /nfs/dbraw/zinc/65/20/76/385652076.db2.gz KOWPTHAOLMPDCM-LBPRGKRZSA-N 1 2 240.734 3.024 20 0 BGADLO Cc1cc(Cl)cc(C)c1C[NH2+]CC(F)F ZINC000336735466 178063077 /nfs/dbraw/zinc/06/30/77/178063077.db2.gz OGMIANNLYMMNFU-UHFFFAOYSA-N 1 2 233.689 3.312 20 0 BGADLO CCC[C@@](C)(O)CNc1[nH+]ccc(C)c1Cl ZINC000336736130 385739158 /nfs/dbraw/zinc/73/91/58/385739158.db2.gz MJAFYHQVBAQCIK-GFCCVEGCSA-N 1 2 242.750 3.006 20 0 BGADLO CCC[C@](C)(O)CNc1[nH+]ccc(C)c1Cl ZINC000336736133 385738006 /nfs/dbraw/zinc/73/80/06/385738006.db2.gz MJAFYHQVBAQCIK-LBPRGKRZSA-N 1 2 242.750 3.006 20 0 BGADLO CSc1ccc(C[NH2+]C2(C(F)F)CC2)s1 ZINC000336737582 385804834 /nfs/dbraw/zinc/80/48/34/385804834.db2.gz QICOAUUTCIUTQB-UHFFFAOYSA-N 1 2 249.351 3.357 20 0 BGADLO Cc1cccc([C@H](C)[NH2+]C2(C(F)F)CC2)c1 ZINC000336738041 179194692 /nfs/dbraw/zinc/19/46/92/179194692.db2.gz JXZYVLRYRYUOJT-JTQLQIEISA-N 1 2 225.282 3.443 20 0 BGADLO Cc1cccc([C@@H](C)[NH2+]C2(C(F)F)CC2)c1 ZINC000336738047 179181252 /nfs/dbraw/zinc/18/12/52/179181252.db2.gz JXZYVLRYRYUOJT-SNVBAGLBSA-N 1 2 225.282 3.443 20 0 BGADLO C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C(F)(F)F ZINC000336738105 385828366 /nfs/dbraw/zinc/82/83/66/385828366.db2.gz KADICZOGEQHFJF-JECWYVHBSA-N 1 2 245.235 3.351 20 0 BGADLO C[C@H]([NH2+]C1CCC(C(F)F)CC1)C(F)(F)F ZINC000336738106 385829272 /nfs/dbraw/zinc/82/92/72/385829272.db2.gz KADICZOGEQHFJF-KKMMWDRVSA-N 1 2 245.235 3.351 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CCCSC2)c1Cl ZINC000336738566 386106750 /nfs/dbraw/zinc/10/67/50/386106750.db2.gz RIOSSORLPRGRGO-SECBINFHSA-N 1 2 242.775 3.351 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CCCSC2)c1Cl ZINC000336738567 386107067 /nfs/dbraw/zinc/10/70/67/386107067.db2.gz RIOSSORLPRGRGO-VIFPVBQESA-N 1 2 242.775 3.351 20 0 BGADLO FC(F)C1([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000336739231 386874076 /nfs/dbraw/zinc/87/40/76/386874076.db2.gz SGCOSQHQHIOABY-UHFFFAOYSA-N 1 2 231.673 3.227 20 0 BGADLO CSc1ccc(CNc2cccc[nH+]2)s1 ZINC000336739870 187309496 /nfs/dbraw/zinc/30/94/96/187309496.db2.gz SXCLEUAOOMZJSF-UHFFFAOYSA-N 1 2 236.365 3.477 20 0 BGADLO CCCCOCCNc1[nH+]ccc(C)c1Cl ZINC000336739969 352366450 /nfs/dbraw/zinc/36/64/50/352366450.db2.gz POXXBTLJKJBVGL-UHFFFAOYSA-N 1 2 242.750 3.272 20 0 BGADLO Cc1cc[nH+]c(NCCC(F)(F)F)c1Cl ZINC000336740969 385842200 /nfs/dbraw/zinc/84/22/00/385842200.db2.gz VCNKCHDXCKVVQK-UHFFFAOYSA-N 1 2 238.640 3.408 20 0 BGADLO C[C@@H]([NH2+]C1(C(F)F)CC1)c1ccc(F)cc1 ZINC000336741887 385905199 /nfs/dbraw/zinc/90/51/99/385905199.db2.gz NQGOOOZAAAMLHP-MRVPVSSYSA-N 1 2 229.245 3.274 20 0 BGADLO C[C@H]([NH2+]C1(C(F)F)CC1)c1ccc(F)cc1 ZINC000336741888 385905417 /nfs/dbraw/zinc/90/54/17/385905417.db2.gz NQGOOOZAAAMLHP-QMMMGPOBSA-N 1 2 229.245 3.274 20 0 BGADLO CCCCNc1[nH+]ccc2ccc(F)cc21 ZINC000336742423 385949959 /nfs/dbraw/zinc/94/99/59/385949959.db2.gz RZMWFHKFSYNWKB-UHFFFAOYSA-N 1 2 218.275 3.008 20 0 BGADLO Cc1ccsc1CCNc1cccc[nH+]1 ZINC000336742663 386202189 /nfs/dbraw/zinc/20/21/89/386202189.db2.gz XJTIZCCRRLEWRZ-UHFFFAOYSA-N 1 2 218.325 3.106 20 0 BGADLO CC(C)[C@@H]([NH2+]C1CCSCC1)C(F)(F)F ZINC000336747602 386486603 /nfs/dbraw/zinc/48/66/03/386486603.db2.gz COVZWPUVKQNUQF-SECBINFHSA-N 1 2 241.322 3.059 20 0 BGADLO CC(C)[C@H]([NH2+]C1CCSCC1)C(F)(F)F ZINC000336747604 188346254 /nfs/dbraw/zinc/34/62/54/188346254.db2.gz COVZWPUVKQNUQF-VIFPVBQESA-N 1 2 241.322 3.059 20 0 BGADLO C[C@H](CC1CC1)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000336747899 385982323 /nfs/dbraw/zinc/98/23/23/385982323.db2.gz CWCKSCNVXAXAID-GMSGAONNSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H](CC1CC1)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000336747900 385982567 /nfs/dbraw/zinc/98/25/67/385982567.db2.gz CWCKSCNVXAXAID-OIBJUYFYSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@H](CC1CC1)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000336747901 385982103 /nfs/dbraw/zinc/98/21/03/385982103.db2.gz CWCKSCNVXAXAID-XCBNKYQSSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H](CC1CC1)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000336747902 385982115 /nfs/dbraw/zinc/98/21/15/385982115.db2.gz CWCKSCNVXAXAID-XVKPBYJWSA-N 1 2 221.266 3.106 20 0 BGADLO Cc1ccc(F)cc1C[NH2+]C1(C(F)F)CC1 ZINC000336748447 385984733 /nfs/dbraw/zinc/98/47/33/385984733.db2.gz XWZLYXYKARDQHT-UHFFFAOYSA-N 1 2 229.245 3.021 20 0 BGADLO Cc1ccccc1[C@H](C)[NH2+]C1(C(F)F)CC1 ZINC000336749605 179337584 /nfs/dbraw/zinc/33/75/84/179337584.db2.gz UGVIDIXFULCNGN-JTQLQIEISA-N 1 2 225.282 3.443 20 0 BGADLO Cc1ccccc1[C@@H](C)[NH2+]C1(C(F)F)CC1 ZINC000336749606 179319480 /nfs/dbraw/zinc/31/94/80/179319480.db2.gz UGVIDIXFULCNGN-SNVBAGLBSA-N 1 2 225.282 3.443 20 0 BGADLO CC(C)c1cnc(C[NH2+]C(C)(C)CF)s1 ZINC000336752755 386016407 /nfs/dbraw/zinc/01/64/07/386016407.db2.gz HCISIPVPMIHDGX-UHFFFAOYSA-N 1 2 230.352 3.104 20 0 BGADLO C[C@@H]([NH2+]CCF)c1nc(C(C)(C)C)cs1 ZINC000336753762 583086314 /nfs/dbraw/zinc/08/63/14/583086314.db2.gz HRQDTKDCNHGVPI-MRVPVSSYSA-N 1 2 230.352 3.061 20 0 BGADLO C[C@H]([NH2+]CCF)c1nc(C(C)(C)C)cs1 ZINC000336753768 386169196 /nfs/dbraw/zinc/16/91/96/386169196.db2.gz HRQDTKDCNHGVPI-QMMMGPOBSA-N 1 2 230.352 3.061 20 0 BGADLO Cc1ccc(N[C@@H](C)[C@H]2CC2(C)C)c[nH+]1 ZINC000336755366 386537293 /nfs/dbraw/zinc/53/72/93/386537293.db2.gz IUGZZZKXBUUQOH-CMPLNLGQSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1ccc(N[C@@H](C)[C@@H]2CC2(C)C)c[nH+]1 ZINC000336755367 386537842 /nfs/dbraw/zinc/53/78/42/386537842.db2.gz IUGZZZKXBUUQOH-JQWIXIFHSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1ccc(N[C@H](C)[C@@H]2CC2(C)C)c[nH+]1 ZINC000336755368 386536807 /nfs/dbraw/zinc/53/68/07/386536807.db2.gz IUGZZZKXBUUQOH-PWSUYJOCSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1ccc(N[C@H](C)[C@H]2CC2(C)C)c[nH+]1 ZINC000336755369 384833326 /nfs/dbraw/zinc/83/33/26/384833326.db2.gz IUGZZZKXBUUQOH-ZYHUDNBSSA-N 1 2 204.317 3.237 20 0 BGADLO CO[C@@H]1CC[C@@H](Nc2[nH+]ccc(C)c2Cl)C1 ZINC000336763112 386946720 /nfs/dbraw/zinc/94/67/20/386946720.db2.gz LYQLIYNBYNLUJT-NXEZZACHSA-N 1 2 240.734 3.023 20 0 BGADLO CO[C@H]1CC[C@H](Nc2[nH+]ccc(C)c2Cl)C1 ZINC000336763113 386947173 /nfs/dbraw/zinc/94/71/73/386947173.db2.gz LYQLIYNBYNLUJT-UWVGGRQHSA-N 1 2 240.734 3.023 20 0 BGADLO CO[C@@H]1CC[C@H](Nc2[nH+]ccc(C)c2Cl)C1 ZINC000336763114 386950276 /nfs/dbraw/zinc/95/02/76/386950276.db2.gz LYQLIYNBYNLUJT-VHSXEESVSA-N 1 2 240.734 3.023 20 0 BGADLO CO[C@H]1CC[C@@H](Nc2[nH+]ccc(C)c2Cl)C1 ZINC000336763115 386950262 /nfs/dbraw/zinc/95/02/62/386950262.db2.gz LYQLIYNBYNLUJT-ZJUUUORDSA-N 1 2 240.734 3.023 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)[C@H]1CC1(C)C ZINC000336763349 180225884 /nfs/dbraw/zinc/22/58/84/180225884.db2.gz PCTKIMYJQVRNKD-GXSJLCMTSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)[C@@H]1CC1(C)C ZINC000336763350 180228389 /nfs/dbraw/zinc/22/83/89/180228389.db2.gz PCTKIMYJQVRNKD-KOLCDFICSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)[C@H]1CC1(C)C ZINC000336763351 180227547 /nfs/dbraw/zinc/22/75/47/180227547.db2.gz PCTKIMYJQVRNKD-MWLCHTKSSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)[C@@H]1CC1(C)C ZINC000336763352 180226850 /nfs/dbraw/zinc/22/68/50/180226850.db2.gz PCTKIMYJQVRNKD-ONGXEEELSA-N 1 2 204.317 3.237 20 0 BGADLO c1ccc(NCC23CCC(CC2)C3)[nH+]c1 ZINC000336767749 385930696 /nfs/dbraw/zinc/93/06/96/385930696.db2.gz UAFMRXGTWJGHIZ-UHFFFAOYSA-N 1 2 202.301 3.074 20 0 BGADLO CC[C@H](Nc1cc(C)[nH+]cn1)C(C)(C)C ZINC000336768147 385941141 /nfs/dbraw/zinc/94/11/41/385941141.db2.gz TWOLXLQPSWONKR-JTQLQIEISA-N 1 2 207.321 3.022 20 0 BGADLO CC[C@@H](Nc1cc(C)[nH+]cn1)C(C)(C)C ZINC000336768148 353278435 /nfs/dbraw/zinc/27/84/35/353278435.db2.gz TWOLXLQPSWONKR-SNVBAGLBSA-N 1 2 207.321 3.022 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccsc1 ZINC000336769844 386004134 /nfs/dbraw/zinc/00/41/34/386004134.db2.gz VZYDSIRTNCKDLU-BDAKNGLRSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ccon1 ZINC000336769845 386004081 /nfs/dbraw/zinc/00/40/81/386004081.db2.gz VZYDSIRTNCKDLU-DTWKUNHWSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1ccon1)c1ccsc1 ZINC000336769846 386003422 /nfs/dbraw/zinc/00/34/22/386003422.db2.gz VZYDSIRTNCKDLU-IUCAKERBSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1ccon1)c1ccsc1 ZINC000336769847 386003219 /nfs/dbraw/zinc/00/32/19/386003219.db2.gz VZYDSIRTNCKDLU-RKDXNWHRSA-N 1 2 222.313 3.148 20 0 BGADLO CCc1ccc(C[NH2+]C2(C(F)F)CC2)cc1 ZINC000336778501 171803662 /nfs/dbraw/zinc/80/36/62/171803662.db2.gz LMLDEAXGQWIBAN-UHFFFAOYSA-N 1 2 225.282 3.136 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccon1 ZINC000336781231 386585875 /nfs/dbraw/zinc/58/58/75/386585875.db2.gz UCXQZRUUSJFCIM-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccon1 ZINC000336781232 386586348 /nfs/dbraw/zinc/58/63/48/386586348.db2.gz UCXQZRUUSJFCIM-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2cscc2C)no1 ZINC000336781862 178252532 /nfs/dbraw/zinc/25/25/32/178252532.db2.gz VZGFFMMYHVWMFN-JTQLQIEISA-N 1 2 236.340 3.204 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2cscc2C)no1 ZINC000336781863 178228648 /nfs/dbraw/zinc/22/86/48/178228648.db2.gz VZGFFMMYHVWMFN-SNVBAGLBSA-N 1 2 236.340 3.204 20 0 BGADLO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ccon1 ZINC000336782908 386653259 /nfs/dbraw/zinc/65/32/59/386653259.db2.gz YZPMEAZUPVZLMI-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ccon1 ZINC000336782909 386652846 /nfs/dbraw/zinc/65/28/46/386652846.db2.gz YZPMEAZUPVZLMI-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO Cc1nc([C@@H](C)[NH2+]Cc2ccoc2C)cs1 ZINC000336782977 180037453 /nfs/dbraw/zinc/03/74/53/180037453.db2.gz ZEDQRBOCXBKIFW-MRVPVSSYSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1nc([C@H](C)[NH2+]Cc2ccoc2C)cs1 ZINC000336782978 180051191 /nfs/dbraw/zinc/05/11/91/180051191.db2.gz ZEDQRBOCXBKIFW-QMMMGPOBSA-N 1 2 236.340 3.204 20 0 BGADLO CC1=C[C@H](C)C[C@H](CNc2cccc[nH+]2)C1 ZINC000336783227 168131003 /nfs/dbraw/zinc/13/10/03/168131003.db2.gz ZUMXEBLLVXAJKE-AAEUAGOBSA-N 1 2 216.328 3.486 20 0 BGADLO CC1=C[C@@H](C)C[C@@H](CNc2cccc[nH+]2)C1 ZINC000336783228 168124642 /nfs/dbraw/zinc/12/46/42/168124642.db2.gz ZUMXEBLLVXAJKE-DGCLKSJQSA-N 1 2 216.328 3.486 20 0 BGADLO CC1=C[C@H](C)C[C@@H](CNc2cccc[nH+]2)C1 ZINC000336783229 168130098 /nfs/dbraw/zinc/13/00/98/168130098.db2.gz ZUMXEBLLVXAJKE-WCQYABFASA-N 1 2 216.328 3.486 20 0 BGADLO CC1=C[C@@H](C)C[C@H](CNc2cccc[nH+]2)C1 ZINC000336783230 168125159 /nfs/dbraw/zinc/12/51/59/168125159.db2.gz ZUMXEBLLVXAJKE-YPMHNXCESA-N 1 2 216.328 3.486 20 0 BGADLO COc1cc[nH+]cc1COc1ccc(C)cc1C ZINC000336788024 175373408 /nfs/dbraw/zinc/37/34/08/175373408.db2.gz GGLBHNHUZYWSLH-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO COc1cc[nH+]cc1COc1c(C)cccc1C ZINC000336788901 175373475 /nfs/dbraw/zinc/37/34/75/175373475.db2.gz HUDJLWJXSKJPML-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO CCc1ccc(OCc2c[nH+]ccc2OC)cc1 ZINC000336788933 387069020 /nfs/dbraw/zinc/06/90/20/387069020.db2.gz HXDZZSSSCXSHLF-UHFFFAOYSA-N 1 2 243.306 3.232 20 0 BGADLO COc1cc[nH+]cc1COc1cccc(C)c1F ZINC000336789090 175373139 /nfs/dbraw/zinc/37/31/39/175373139.db2.gz IELKGPQCNFLNIZ-UHFFFAOYSA-N 1 2 247.269 3.117 20 0 BGADLO Cc1ccoc1CNc1ccc2ccccc2[nH+]1 ZINC000336789989 387656943 /nfs/dbraw/zinc/65/69/43/387656943.db2.gz KLJGQRVJUKYDNC-UHFFFAOYSA-N 1 2 238.290 3.170 20 0 BGADLO COc1cc[nH+]cc1COc1cc(C)ccc1C ZINC000336790505 175372743 /nfs/dbraw/zinc/37/27/43/175372743.db2.gz LLOGZYFBYLODPA-UHFFFAOYSA-N 1 2 243.306 3.286 20 0 BGADLO COc1cc[nH+]cc1COc1cc(F)ccc1C ZINC000336790704 175373032 /nfs/dbraw/zinc/37/30/32/175373032.db2.gz LVBKPOCJDDAYMI-UHFFFAOYSA-N 1 2 247.269 3.117 20 0 BGADLO COc1ccc(F)cc1CNc1ccc[nH+]c1C ZINC000336791601 175130831 /nfs/dbraw/zinc/13/08/31/175130831.db2.gz ODFPBHATIOYBOQ-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1ccc(F)cc1CNc1c[nH+]ccc1C ZINC000336792266 175130113 /nfs/dbraw/zinc/13/01/13/175130113.db2.gz RFARVMHEBXXWOK-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1ccc(F)cc1CNc1ccc(C)[nH+]c1 ZINC000336792299 175130624 /nfs/dbraw/zinc/13/06/24/175130624.db2.gz RJSSHMQLZONQHK-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1ccc(F)cc1CNc1c[nH+]cc(C)c1 ZINC000336792669 175130710 /nfs/dbraw/zinc/13/07/10/175130710.db2.gz SYRVZGKZRAERMH-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO Cc1cc(CNc2c[nH+]ccc2C)cs1 ZINC000336892137 178045152 /nfs/dbraw/zinc/04/51/52/178045152.db2.gz RQAZAGRGSIDQNE-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1cc[nH+]cc1NCc1cccc(O)c1Cl ZINC000336893692 388472423 /nfs/dbraw/zinc/47/24/23/388472423.db2.gz LCGKHIAJKKAMLF-UHFFFAOYSA-N 1 2 248.713 3.361 20 0 BGADLO c1cc2c(cccc2CCNc2cccc[nH+]2)[nH]1 ZINC000336894757 386550701 /nfs/dbraw/zinc/55/07/01/386550701.db2.gz MCOCPRPLRDRLLD-UHFFFAOYSA-N 1 2 237.306 3.218 20 0 BGADLO Cc1c[nH+]cc(NCc2cccc(O)c2Cl)c1 ZINC000336897102 364846677 /nfs/dbraw/zinc/84/66/77/364846677.db2.gz ORZZDAIDBGJGKA-UHFFFAOYSA-N 1 2 248.713 3.361 20 0 BGADLO Cc1ccc(NCc2cccc(O)c2Cl)c[nH+]1 ZINC000336906607 388442578 /nfs/dbraw/zinc/44/25/78/388442578.db2.gz YEENSFUGOLAJCP-UHFFFAOYSA-N 1 2 248.713 3.361 20 0 BGADLO FC(F)O[C@@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000336914854 386555453 /nfs/dbraw/zinc/55/54/53/386555453.db2.gz LZRHGYJGJJKKQX-NXEZZACHSA-N 1 2 242.269 3.044 20 0 BGADLO FC(F)O[C@H]1CCCC[C@@H]1Nc1cccc[nH+]1 ZINC000336914856 386555682 /nfs/dbraw/zinc/55/56/82/386555682.db2.gz LZRHGYJGJJKKQX-UWVGGRQHSA-N 1 2 242.269 3.044 20 0 BGADLO FC(F)O[C@@H]1CCCC[C@@H]1Nc1cccc[nH+]1 ZINC000336914858 386555745 /nfs/dbraw/zinc/55/57/45/386555745.db2.gz LZRHGYJGJJKKQX-VHSXEESVSA-N 1 2 242.269 3.044 20 0 BGADLO FC(F)O[C@H]1CCCC[C@H]1Nc1cccc[nH+]1 ZINC000336914860 386554809 /nfs/dbraw/zinc/55/48/09/386554809.db2.gz LZRHGYJGJJKKQX-ZJUUUORDSA-N 1 2 242.269 3.044 20 0 BGADLO Cc1cc(F)cc2c1CN(c1cccc[nH+]1)CC2 ZINC000336935536 386558681 /nfs/dbraw/zinc/55/86/81/386558681.db2.gz TZFAVNCNVPYUDW-UHFFFAOYSA-N 1 2 242.297 3.092 20 0 BGADLO CCCN(c1[nH+]c2cccc(F)c2n1C)C1CC1 ZINC000336962568 169183849 /nfs/dbraw/zinc/18/38/49/169183849.db2.gz DALIDTVUQOMQTJ-UHFFFAOYSA-N 1 2 247.317 3.091 20 0 BGADLO C[C@@H]1CC[C@H](C)N1c1[nH+]c2cccc(F)c2n1C ZINC000337014366 177187588 /nfs/dbraw/zinc/18/75/88/177187588.db2.gz JYCQPULNZFPZBC-AOOOYVTPSA-N 1 2 247.317 3.090 20 0 BGADLO C[C@@H]1CC[C@@H](C)N1c1[nH+]c2cccc(F)c2n1C ZINC000337014367 176200463 /nfs/dbraw/zinc/20/04/63/176200463.db2.gz JYCQPULNZFPZBC-NXEZZACHSA-N 1 2 247.317 3.090 20 0 BGADLO C[C@H]1CC[C@H](C)N1c1[nH+]c2cccc(F)c2n1C ZINC000337014368 177200135 /nfs/dbraw/zinc/20/01/35/177200135.db2.gz JYCQPULNZFPZBC-UWVGGRQHSA-N 1 2 247.317 3.090 20 0 BGADLO COCC[N@@H+](CCCC(C)(C)C)CC(F)F ZINC000337122807 174290291 /nfs/dbraw/zinc/29/02/91/174290291.db2.gz BRDIULFMKVLGSK-UHFFFAOYSA-N 1 2 237.334 3.026 20 0 BGADLO COCC[N@H+](CCCC(C)(C)C)CC(F)F ZINC000337122807 174290289 /nfs/dbraw/zinc/29/02/89/174290289.db2.gz BRDIULFMKVLGSK-UHFFFAOYSA-N 1 2 237.334 3.026 20 0 BGADLO FC(F)C1([NH2+]Cc2cccc3cccnc32)CC1 ZINC000337234062 386682513 /nfs/dbraw/zinc/68/25/13/386682513.db2.gz AJOMOWSLZLWKDA-UHFFFAOYSA-N 1 2 248.276 3.122 20 0 BGADLO FC(F)C1([NH2+]Cc2coc3ccccc23)CC1 ZINC000337238772 386674000 /nfs/dbraw/zinc/67/40/00/386674000.db2.gz AJIZLLPAPABLJB-UHFFFAOYSA-N 1 2 237.249 3.320 20 0 BGADLO FC(F)C1([NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000337288539 386701388 /nfs/dbraw/zinc/70/13/88/386701388.db2.gz LMHRUXAMMKWZOZ-UHFFFAOYSA-N 1 2 236.265 3.055 20 0 BGADLO CC(C)COCC[N@@H+](CC(F)F)CC1CCC1 ZINC000337289495 385587703 /nfs/dbraw/zinc/58/77/03/385587703.db2.gz CBYMETALRITYFD-UHFFFAOYSA-N 1 2 249.345 3.026 20 0 BGADLO CC(C)COCC[N@H+](CC(F)F)CC1CCC1 ZINC000337289495 385587699 /nfs/dbraw/zinc/58/76/99/385587699.db2.gz CBYMETALRITYFD-UHFFFAOYSA-N 1 2 249.345 3.026 20 0 BGADLO FC(F)C1([NH2+]Cc2ccc3ncccc3c2)CC1 ZINC000337309288 385592661 /nfs/dbraw/zinc/59/26/61/385592661.db2.gz UCLVDLYOUQKDKL-UHFFFAOYSA-N 1 2 248.276 3.122 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C)c(F)c2)no1 ZINC000337317663 178228928 /nfs/dbraw/zinc/22/89/28/178228928.db2.gz YXHBGAMRODYGEM-LLVKDONJSA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2ccc(C)c(F)c2)no1 ZINC000337317664 178251032 /nfs/dbraw/zinc/25/10/32/178251032.db2.gz YXHBGAMRODYGEM-NSHDSACASA-N 1 2 248.301 3.281 20 0 BGADLO FC(F)C1([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000337318344 385594952 /nfs/dbraw/zinc/59/49/52/385594952.db2.gz YJMSBRDQYMBKJE-UHFFFAOYSA-N 1 2 236.265 3.055 20 0 BGADLO CSc1ccccc1[C@@H](C)[NH2+]Cc1ccon1 ZINC000337343463 385610207 /nfs/dbraw/zinc/61/02/07/385610207.db2.gz SKAMVQBWHSFGHT-SNVBAGLBSA-N 1 2 248.351 3.247 20 0 BGADLO CCc1cc(OC)ccc1CNc1cccc[nH+]1 ZINC000337345651 385613627 /nfs/dbraw/zinc/61/36/27/385613627.db2.gz VICMWYFFJBYCPN-UHFFFAOYSA-N 1 2 242.322 3.265 20 0 BGADLO FC(F)[C@H]1CCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000337393412 385631588 /nfs/dbraw/zinc/63/15/88/385631588.db2.gz IFINAZXXDDLUQY-GHMZBOCLSA-N 1 2 215.287 3.215 20 0 BGADLO FC(F)[C@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000337393412 385631584 /nfs/dbraw/zinc/63/15/84/385631584.db2.gz IFINAZXXDDLUQY-GHMZBOCLSA-N 1 2 215.287 3.215 20 0 BGADLO FC(F)[C@@H]1CCCC[N@H+]1[C@@H]1C=CCCC1 ZINC000337393420 385632246 /nfs/dbraw/zinc/63/22/46/385632246.db2.gz IFINAZXXDDLUQY-MNOVXSKESA-N 1 2 215.287 3.215 20 0 BGADLO FC(F)[C@@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000337393420 385632241 /nfs/dbraw/zinc/63/22/41/385632241.db2.gz IFINAZXXDDLUQY-MNOVXSKESA-N 1 2 215.287 3.215 20 0 BGADLO FC(F)[C@@H]1CCCC[N@H+]1[C@H]1C=CCCC1 ZINC000337393421 385634925 /nfs/dbraw/zinc/63/49/25/385634925.db2.gz IFINAZXXDDLUQY-QWRGUYRKSA-N 1 2 215.287 3.215 20 0 BGADLO FC(F)[C@@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000337393421 385634920 /nfs/dbraw/zinc/63/49/20/385634920.db2.gz IFINAZXXDDLUQY-QWRGUYRKSA-N 1 2 215.287 3.215 20 0 BGADLO FC(F)[C@H]1CCCC[N@H+]1[C@H]1C=CCCC1 ZINC000337393423 385635075 /nfs/dbraw/zinc/63/50/75/385635075.db2.gz IFINAZXXDDLUQY-WDEREUQCSA-N 1 2 215.287 3.215 20 0 BGADLO FC(F)[C@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000337393423 385635074 /nfs/dbraw/zinc/63/50/74/385635074.db2.gz IFINAZXXDDLUQY-WDEREUQCSA-N 1 2 215.287 3.215 20 0 BGADLO CC(C)=CC[N@H+]1CCCC[C@H]1C(F)F ZINC000337400847 385648486 /nfs/dbraw/zinc/64/84/86/385648486.db2.gz KRIXENZFNVDEPO-JTQLQIEISA-N 1 2 203.276 3.072 20 0 BGADLO CC(C)=CC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337400847 385648483 /nfs/dbraw/zinc/64/84/83/385648483.db2.gz KRIXENZFNVDEPO-JTQLQIEISA-N 1 2 203.276 3.072 20 0 BGADLO CC(C)=CC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337400849 385647776 /nfs/dbraw/zinc/64/77/76/385647776.db2.gz KRIXENZFNVDEPO-SNVBAGLBSA-N 1 2 203.276 3.072 20 0 BGADLO CC(C)=CC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337400849 385647770 /nfs/dbraw/zinc/64/77/70/385647770.db2.gz KRIXENZFNVDEPO-SNVBAGLBSA-N 1 2 203.276 3.072 20 0 BGADLO FC(F)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000337406628 384814980 /nfs/dbraw/zinc/81/49/80/384814980.db2.gz NBTIEHNMJPFORN-GFCCVEGCSA-N 1 2 225.282 3.306 20 0 BGADLO FC(F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000337406628 384814971 /nfs/dbraw/zinc/81/49/71/384814971.db2.gz NBTIEHNMJPFORN-GFCCVEGCSA-N 1 2 225.282 3.306 20 0 BGADLO FC(F)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000337406629 384815842 /nfs/dbraw/zinc/81/58/42/384815842.db2.gz NBTIEHNMJPFORN-LBPRGKRZSA-N 1 2 225.282 3.306 20 0 BGADLO FC(F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000337406629 384815834 /nfs/dbraw/zinc/81/58/34/384815834.db2.gz NBTIEHNMJPFORN-LBPRGKRZSA-N 1 2 225.282 3.306 20 0 BGADLO CC(C)CCOCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337421967 385652946 /nfs/dbraw/zinc/65/29/46/385652946.db2.gz UZGFHBRGWBPHOD-GFCCVEGCSA-N 1 2 249.345 3.169 20 0 BGADLO CC(C)CCOCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337421967 385652944 /nfs/dbraw/zinc/65/29/44/385652944.db2.gz UZGFHBRGWBPHOD-GFCCVEGCSA-N 1 2 249.345 3.169 20 0 BGADLO CC(C)CCOCC[N@H+]1CCCC[C@H]1C(F)F ZINC000337421968 385652913 /nfs/dbraw/zinc/65/29/13/385652913.db2.gz UZGFHBRGWBPHOD-LBPRGKRZSA-N 1 2 249.345 3.169 20 0 BGADLO CC(C)CCOCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337421968 385652909 /nfs/dbraw/zinc/65/29/09/385652909.db2.gz UZGFHBRGWBPHOD-LBPRGKRZSA-N 1 2 249.345 3.169 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccon2)oc1C ZINC000337487524 178233376 /nfs/dbraw/zinc/23/33/76/178233376.db2.gz TZHMVPCOAILKCD-NXEZZACHSA-N 1 2 234.299 3.296 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccon2)oc1C ZINC000337487530 178253620 /nfs/dbraw/zinc/25/36/20/178253620.db2.gz TZHMVPCOAILKCD-UWVGGRQHSA-N 1 2 234.299 3.296 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccon2)oc1C ZINC000337487532 178231891 /nfs/dbraw/zinc/23/18/91/178231891.db2.gz TZHMVPCOAILKCD-VHSXEESVSA-N 1 2 234.299 3.296 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccon2)oc1C ZINC000337487534 178258649 /nfs/dbraw/zinc/25/86/49/178258649.db2.gz TZHMVPCOAILKCD-ZJUUUORDSA-N 1 2 234.299 3.296 20 0 BGADLO CCc1cc(OC)ccc1C[N@H+]1CCC=C(F)C1 ZINC000337491839 385682625 /nfs/dbraw/zinc/68/26/25/385682625.db2.gz FTRNYOCNFLVHCR-UHFFFAOYSA-N 1 2 249.329 3.317 20 0 BGADLO CCc1cc(OC)ccc1C[N@@H+]1CCC=C(F)C1 ZINC000337491839 385682623 /nfs/dbraw/zinc/68/26/23/385682623.db2.gz FTRNYOCNFLVHCR-UHFFFAOYSA-N 1 2 249.329 3.317 20 0 BGADLO COc1cccc([C@@H](C)[NH2+]C2(C(F)F)CC2)c1 ZINC000337492199 175286659 /nfs/dbraw/zinc/28/66/59/175286659.db2.gz AAMIJWQCECYSFS-SECBINFHSA-N 1 2 241.281 3.144 20 0 BGADLO COc1cccc([C@H](C)[NH2+]C2(C(F)F)CC2)c1 ZINC000337492200 175292731 /nfs/dbraw/zinc/29/27/31/175292731.db2.gz AAMIJWQCECYSFS-VIFPVBQESA-N 1 2 241.281 3.144 20 0 BGADLO FC(F)[C@@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000337517193 385698972 /nfs/dbraw/zinc/69/89/72/385698972.db2.gz MKKHPMBLKQKUIK-NEPJUHHUSA-N 1 2 247.329 3.065 20 0 BGADLO FC(F)[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000337517193 385698969 /nfs/dbraw/zinc/69/89/69/385698969.db2.gz MKKHPMBLKQKUIK-NEPJUHHUSA-N 1 2 247.329 3.065 20 0 BGADLO FC(F)[C@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000337517194 385700301 /nfs/dbraw/zinc/70/03/01/385700301.db2.gz MKKHPMBLKQKUIK-NWDGAFQWSA-N 1 2 247.329 3.065 20 0 BGADLO FC(F)[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000337517194 385700298 /nfs/dbraw/zinc/70/02/98/385700298.db2.gz MKKHPMBLKQKUIK-NWDGAFQWSA-N 1 2 247.329 3.065 20 0 BGADLO FC(F)[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC000337517195 385700356 /nfs/dbraw/zinc/70/03/56/385700356.db2.gz MKKHPMBLKQKUIK-RYUDHWBXSA-N 1 2 247.329 3.065 20 0 BGADLO FC(F)[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000337517195 385700354 /nfs/dbraw/zinc/70/03/54/385700354.db2.gz MKKHPMBLKQKUIK-RYUDHWBXSA-N 1 2 247.329 3.065 20 0 BGADLO FC(F)[C@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC000337517196 385699643 /nfs/dbraw/zinc/69/96/43/385699643.db2.gz MKKHPMBLKQKUIK-VXGBXAGGSA-N 1 2 247.329 3.065 20 0 BGADLO FC(F)[C@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000337517196 385699641 /nfs/dbraw/zinc/69/96/41/385699641.db2.gz MKKHPMBLKQKUIK-VXGBXAGGSA-N 1 2 247.329 3.065 20 0 BGADLO CC/C=C\CC[N@H+]1CCCC[C@H]1C(F)F ZINC000337520658 385701814 /nfs/dbraw/zinc/70/18/14/385701814.db2.gz PGGKCTCEESAZKT-BYCRGOAPSA-N 1 2 217.303 3.462 20 0 BGADLO CC/C=C\CC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337520658 385701813 /nfs/dbraw/zinc/70/18/13/385701813.db2.gz PGGKCTCEESAZKT-BYCRGOAPSA-N 1 2 217.303 3.462 20 0 BGADLO CC/C=C\CC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337520699 385702491 /nfs/dbraw/zinc/70/24/91/385702491.db2.gz PGGKCTCEESAZKT-DLRQAJBASA-N 1 2 217.303 3.462 20 0 BGADLO CC/C=C\CC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337520699 385702485 /nfs/dbraw/zinc/70/24/85/385702485.db2.gz PGGKCTCEESAZKT-DLRQAJBASA-N 1 2 217.303 3.462 20 0 BGADLO CC/C=C/CC[N@H+]1CCCC[C@@H]1C(F)F ZINC000337520701 385702722 /nfs/dbraw/zinc/70/27/22/385702722.db2.gz PGGKCTCEESAZKT-PGLGOXFNSA-N 1 2 217.303 3.462 20 0 BGADLO CC/C=C/CC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000337520701 385702717 /nfs/dbraw/zinc/70/27/17/385702717.db2.gz PGGKCTCEESAZKT-PGLGOXFNSA-N 1 2 217.303 3.462 20 0 BGADLO CC/C=C/CC[N@H+]1CCCC[C@H]1C(F)F ZINC000337520706 385701725 /nfs/dbraw/zinc/70/17/25/385701725.db2.gz PGGKCTCEESAZKT-UFFNRZRYSA-N 1 2 217.303 3.462 20 0 BGADLO CC/C=C/CC[N@@H+]1CCCC[C@H]1C(F)F ZINC000337520706 385701722 /nfs/dbraw/zinc/70/17/22/385701722.db2.gz PGGKCTCEESAZKT-UFFNRZRYSA-N 1 2 217.303 3.462 20 0 BGADLO FC(F)[C@@H]1CCCC[N@H+]1Cc1cccs1 ZINC000337522393 385694899 /nfs/dbraw/zinc/69/48/99/385694899.db2.gz QANQVPLEZNBVBL-JTQLQIEISA-N 1 2 231.311 3.368 20 0 BGADLO FC(F)[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000337522393 385694894 /nfs/dbraw/zinc/69/48/94/385694894.db2.gz QANQVPLEZNBVBL-JTQLQIEISA-N 1 2 231.311 3.368 20 0 BGADLO FC(F)[C@H]1CCCC[N@H+]1Cc1cccs1 ZINC000337522394 385694552 /nfs/dbraw/zinc/69/45/52/385694552.db2.gz QANQVPLEZNBVBL-SNVBAGLBSA-N 1 2 231.311 3.368 20 0 BGADLO FC(F)[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000337522394 385694546 /nfs/dbraw/zinc/69/45/46/385694546.db2.gz QANQVPLEZNBVBL-SNVBAGLBSA-N 1 2 231.311 3.368 20 0 BGADLO CC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000337530270 170023804 /nfs/dbraw/zinc/02/38/04/170023804.db2.gz RQYCMVHLTFTAHA-UHFFFAOYSA-N 1 2 230.138 3.371 20 0 BGADLO CC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000337530270 170023803 /nfs/dbraw/zinc/02/38/03/170023803.db2.gz RQYCMVHLTFTAHA-UHFFFAOYSA-N 1 2 230.138 3.371 20 0 BGADLO Cc1ccc2c(c1)[C@H]([NH2+]C1(C(F)F)CC1)CC2 ZINC000337544981 385704504 /nfs/dbraw/zinc/70/45/04/385704504.db2.gz KYUWDGRIXFXLNK-GFCCVEGCSA-N 1 2 237.293 3.370 20 0 BGADLO Cc1ccc2c(c1)[C@@H]([NH2+]C1(C(F)F)CC1)CC2 ZINC000337545001 385704783 /nfs/dbraw/zinc/70/47/83/385704783.db2.gz KYUWDGRIXFXLNK-LBPRGKRZSA-N 1 2 237.293 3.370 20 0 BGADLO COc1ccc([C@@H](C)[NH2+]C2(C(F)F)CC2)cc1 ZINC000337558397 191138593 /nfs/dbraw/zinc/13/85/93/191138593.db2.gz SUTORGXSXXJZNV-SECBINFHSA-N 1 2 241.281 3.144 20 0 BGADLO COc1ccc([C@H](C)[NH2+]C2(C(F)F)CC2)cc1 ZINC000337558398 175188066 /nfs/dbraw/zinc/18/80/66/175188066.db2.gz SUTORGXSXXJZNV-VIFPVBQESA-N 1 2 241.281 3.144 20 0 BGADLO FC(F)C1([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000337564320 385709972 /nfs/dbraw/zinc/70/99/72/385709972.db2.gz XDUHFEODWKANHS-GFCCVEGCSA-N 1 2 237.293 3.451 20 0 BGADLO FC(F)C1([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000337564321 385710083 /nfs/dbraw/zinc/71/00/83/385710083.db2.gz XDUHFEODWKANHS-LBPRGKRZSA-N 1 2 237.293 3.451 20 0 BGADLO C[C@H](Cc1ccccc1F)[NH2+]C1(C(F)F)CC1 ZINC000337564485 385710288 /nfs/dbraw/zinc/71/02/88/385710288.db2.gz XHAKNIGDJKGKBH-SECBINFHSA-N 1 2 243.272 3.144 20 0 BGADLO C[C@@H](Cc1ccccc1F)[NH2+]C1(C(F)F)CC1 ZINC000337564487 385710783 /nfs/dbraw/zinc/71/07/83/385710783.db2.gz XHAKNIGDJKGKBH-VIFPVBQESA-N 1 2 243.272 3.144 20 0 BGADLO Cc1cccc2c1CC[C@H]2[NH2+]C1(C(F)F)CC1 ZINC000337566614 179216290 /nfs/dbraw/zinc/21/62/90/179216290.db2.gz YPKJKIJLWFEKJL-GFCCVEGCSA-N 1 2 237.293 3.370 20 0 BGADLO Cc1cccc2c1CC[C@@H]2[NH2+]C1(C(F)F)CC1 ZINC000337566615 179214359 /nfs/dbraw/zinc/21/43/59/179214359.db2.gz YPKJKIJLWFEKJL-LBPRGKRZSA-N 1 2 237.293 3.370 20 0 BGADLO Cc1cc(N(C)Cc2ccco2)nc(C(C)C)[nH+]1 ZINC000337589935 385723123 /nfs/dbraw/zinc/72/31/23/385723123.db2.gz WHVAGIFXJIMFMC-UHFFFAOYSA-N 1 2 245.326 3.138 20 0 BGADLO Cc1cc(Nc2ccc(C)c(F)c2)nc(C)[nH+]1 ZINC000337648186 178192306 /nfs/dbraw/zinc/19/23/06/178192306.db2.gz JVTOBTDMTNKEBB-UHFFFAOYSA-N 1 2 231.274 3.285 20 0 BGADLO Cc1cc(Nc2cccc(Cl)c2)nc(C)[nH+]1 ZINC000337650388 178193406 /nfs/dbraw/zinc/19/34/06/178193406.db2.gz KUQMVXGZHOINHD-UHFFFAOYSA-N 1 2 233.702 3.490 20 0 BGADLO CCC1(C)CCN(c2cccc[nH+]2)CC1 ZINC000337653709 132455573 /nfs/dbraw/zinc/45/55/73/132455573.db2.gz NJICHOABJKRJJF-UHFFFAOYSA-N 1 2 204.317 3.098 20 0 BGADLO Cc1cc(N(C)[C@H](C)C2CCCCC2)nc[nH+]1 ZINC000337798431 178099843 /nfs/dbraw/zinc/09/98/43/178099843.db2.gz GXJMSOYFMGSJCF-GFCCVEGCSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1cc(N(C)[C@@H](C)C2CCCCC2)nc[nH+]1 ZINC000337798434 178100048 /nfs/dbraw/zinc/10/00/48/178100048.db2.gz GXJMSOYFMGSJCF-LBPRGKRZSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1nc(N(C)[C@H](C)C2CCCCC2)cc[nH+]1 ZINC000337799741 350617392 /nfs/dbraw/zinc/61/73/92/350617392.db2.gz HNBGFERNSMUJEU-LLVKDONJSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1nc(N(C)[C@@H](C)C2CCCCC2)cc[nH+]1 ZINC000337799744 350617107 /nfs/dbraw/zinc/61/71/07/350617107.db2.gz HNBGFERNSMUJEU-NSHDSACASA-N 1 2 233.359 3.190 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCSC(C)C ZINC000337936977 488121187 /nfs/dbraw/zinc/12/11/87/488121187.db2.gz OYDHNSIJNXEQQY-UHFFFAOYSA-N 1 2 239.384 3.473 20 0 BGADLO Cc1nc2[nH]ccc2c(NCCC2=CCCC2)[nH+]1 ZINC000338048351 180018062 /nfs/dbraw/zinc/01/80/62/180018062.db2.gz CQKJWJGLGYZFMC-UHFFFAOYSA-N 1 2 242.326 3.130 20 0 BGADLO Cc1cc(NC(=O)CC2(C)CCCCC2)cc[nH+]1 ZINC000338054152 385886400 /nfs/dbraw/zinc/88/64/00/385886400.db2.gz LZRLUOZHEMLYFX-UHFFFAOYSA-N 1 2 246.354 3.111 20 0 BGADLO c1cc(NC2CCCCC2)[nH+]cc1N1CCCC1 ZINC000338140996 183357747 /nfs/dbraw/zinc/35/77/47/183357747.db2.gz AJYMNLYKCGXHBZ-UHFFFAOYSA-N 1 2 245.370 3.426 20 0 BGADLO COc1ccc2c(c1)[nH+]ccc2OCC1CCC1 ZINC000338147323 175205336 /nfs/dbraw/zinc/20/53/36/175205336.db2.gz DCINGUVIQSLUGT-UHFFFAOYSA-N 1 2 243.306 3.422 20 0 BGADLO CCOC(=O)c1ccccc1Oc1cc[nH+]cc1 ZINC000338264386 170299972 /nfs/dbraw/zinc/29/99/72/170299972.db2.gz NRYBXFNOCKANTL-UHFFFAOYSA-N 1 2 243.262 3.051 20 0 BGADLO FC1(F)CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338297799 385960975 /nfs/dbraw/zinc/96/09/75/385960975.db2.gz UQRCRSXXMLHVKG-SECBINFHSA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000338297799 385960969 /nfs/dbraw/zinc/96/09/69/385960969.db2.gz UQRCRSXXMLHVKG-SECBINFHSA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338297806 385959772 /nfs/dbraw/zinc/95/97/72/385959772.db2.gz UQRCRSXXMLHVKG-VIFPVBQESA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000338297806 385959766 /nfs/dbraw/zinc/95/97/66/385959766.db2.gz UQRCRSXXMLHVKG-VIFPVBQESA-N 1 2 239.256 3.153 20 0 BGADLO C[N@@H+](CC(F)F)C[C@@H]1CCCC(F)(F)C1 ZINC000338312977 385962227 /nfs/dbraw/zinc/96/22/27/385962227.db2.gz GBSQRWONECLYKX-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@H+](CC(F)F)C[C@@H]1CCCC(F)(F)C1 ZINC000338312977 385962221 /nfs/dbraw/zinc/96/22/21/385962221.db2.gz GBSQRWONECLYKX-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@@H+](CC(F)F)C[C@H]1CCCC(F)(F)C1 ZINC000338312982 385964651 /nfs/dbraw/zinc/96/46/51/385964651.db2.gz GBSQRWONECLYKX-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@H+](CC(F)F)C[C@H]1CCCC(F)(F)C1 ZINC000338312982 385964646 /nfs/dbraw/zinc/96/46/46/385964646.db2.gz GBSQRWONECLYKX-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO CCCCc1nc(C[N@@H+](C)[C@@H](C)CCC)no1 ZINC000338334229 385962675 /nfs/dbraw/zinc/96/26/75/385962675.db2.gz ZACBJNOROSILEJ-NSHDSACASA-N 1 2 239.363 3.033 20 0 BGADLO CCCCc1nc(C[N@H+](C)[C@@H](C)CCC)no1 ZINC000338334229 385962670 /nfs/dbraw/zinc/96/26/70/385962670.db2.gz ZACBJNOROSILEJ-NSHDSACASA-N 1 2 239.363 3.033 20 0 BGADLO CC(C)SCC[N@H+]1CCCC[C@H]1C(F)F ZINC000338344063 167323917 /nfs/dbraw/zinc/32/39/17/167323917.db2.gz CGLGFOAKPDXTLF-JTQLQIEISA-N 1 2 237.359 3.248 20 0 BGADLO CC(C)SCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000338344063 167323915 /nfs/dbraw/zinc/32/39/15/167323915.db2.gz CGLGFOAKPDXTLF-JTQLQIEISA-N 1 2 237.359 3.248 20 0 BGADLO CC(C)SCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000338344065 167324562 /nfs/dbraw/zinc/32/45/62/167324562.db2.gz CGLGFOAKPDXTLF-SNVBAGLBSA-N 1 2 237.359 3.248 20 0 BGADLO CC(C)SCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000338344065 167324560 /nfs/dbraw/zinc/32/45/60/167324560.db2.gz CGLGFOAKPDXTLF-SNVBAGLBSA-N 1 2 237.359 3.248 20 0 BGADLO CC(C)SCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000338380848 167326853 /nfs/dbraw/zinc/32/68/53/167326853.db2.gz OHTSBNQICJHQQB-JTQLQIEISA-N 1 2 237.359 3.105 20 0 BGADLO CC(C)SCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000338380848 167326850 /nfs/dbraw/zinc/32/68/50/167326850.db2.gz OHTSBNQICJHQQB-JTQLQIEISA-N 1 2 237.359 3.105 20 0 BGADLO CC(C)SCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000338380852 167327090 /nfs/dbraw/zinc/32/70/90/167327090.db2.gz OHTSBNQICJHQQB-SNVBAGLBSA-N 1 2 237.359 3.105 20 0 BGADLO CC(C)SCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000338380852 167327086 /nfs/dbraw/zinc/32/70/86/167327086.db2.gz OHTSBNQICJHQQB-SNVBAGLBSA-N 1 2 237.359 3.105 20 0 BGADLO CC(C)CCC[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000338447766 386006483 /nfs/dbraw/zinc/00/64/83/386006483.db2.gz PAFAEUFKFFHLDC-UHFFFAOYSA-N 1 2 244.342 3.115 20 0 BGADLO C[C@@H]1C[C@@H](CCNc2cccc[nH+]2)C[C@H](C)O1 ZINC000338486272 177362006 /nfs/dbraw/zinc/36/20/06/177362006.db2.gz ZOEMSOWSCMCIPI-CLLJXQQHSA-N 1 2 234.343 3.087 20 0 BGADLO C[C@H]1CC(CCNc2cccc[nH+]2)C[C@H](C)O1 ZINC000338486274 188018087 /nfs/dbraw/zinc/01/80/87/188018087.db2.gz ZOEMSOWSCMCIPI-RYUDHWBXSA-N 1 2 234.343 3.087 20 0 BGADLO C[C@@H]1CC(CCNc2cccc[nH+]2)C[C@@H](C)O1 ZINC000338486275 386018269 /nfs/dbraw/zinc/01/82/69/386018269.db2.gz ZOEMSOWSCMCIPI-VXGBXAGGSA-N 1 2 234.343 3.087 20 0 BGADLO C[N@@H+](Cc1ccc[nH]1)Cc1sccc1Cl ZINC000338547374 386042600 /nfs/dbraw/zinc/04/26/00/386042600.db2.gz SZHSRUFORBQSIZ-UHFFFAOYSA-N 1 2 240.759 3.362 20 0 BGADLO C[N@H+](Cc1ccc[nH]1)Cc1sccc1Cl ZINC000338547374 386042593 /nfs/dbraw/zinc/04/25/93/386042593.db2.gz SZHSRUFORBQSIZ-UHFFFAOYSA-N 1 2 240.759 3.362 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1Cn1cc(Cl)cn1 ZINC000338554520 386049105 /nfs/dbraw/zinc/04/91/05/386049105.db2.gz WCAIENFOTZPAKD-UHFFFAOYSA-N 1 2 249.745 3.412 20 0 BGADLO C[C@H](COCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000338556129 386051848 /nfs/dbraw/zinc/05/18/48/386051848.db2.gz GIBFPEYRYJWAGO-LLVKDONJSA-N 1 2 222.332 3.143 20 0 BGADLO C[C@@H](COCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000338556131 386051150 /nfs/dbraw/zinc/05/11/50/386051150.db2.gz GIBFPEYRYJWAGO-NSHDSACASA-N 1 2 222.332 3.143 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2sccc2Cl)C1 ZINC000338566870 386053970 /nfs/dbraw/zinc/05/39/70/386053970.db2.gz TVDKKAMHDIVVDJ-JTQLQIEISA-N 1 2 233.739 3.335 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2sccc2Cl)C1 ZINC000338566870 386053965 /nfs/dbraw/zinc/05/39/65/386053965.db2.gz TVDKKAMHDIVVDJ-JTQLQIEISA-N 1 2 233.739 3.335 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2sccc2Cl)C1 ZINC000338566872 386054487 /nfs/dbraw/zinc/05/44/87/386054487.db2.gz TVDKKAMHDIVVDJ-SNVBAGLBSA-N 1 2 233.739 3.335 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2sccc2Cl)C1 ZINC000338566872 386054481 /nfs/dbraw/zinc/05/44/81/386054481.db2.gz TVDKKAMHDIVVDJ-SNVBAGLBSA-N 1 2 233.739 3.335 20 0 BGADLO CCSCn1c[nH+]c2cc(C)c(C)cc21 ZINC000338568211 386058336 /nfs/dbraw/zinc/05/83/36/386058336.db2.gz SOQOWGBLTLZLSK-UHFFFAOYSA-N 1 2 220.341 3.364 20 0 BGADLO COc1cc[nH+]cc1CSc1ccncc1C ZINC000338617839 175373566 /nfs/dbraw/zinc/37/35/66/175373566.db2.gz RWVSDJHANTUNMZ-UHFFFAOYSA-N 1 2 246.335 3.086 20 0 BGADLO Cc1cccc(N(Cc2[nH+]ccn2C)C(C)C)c1 ZINC000338725771 179119858 /nfs/dbraw/zinc/11/98/58/179119858.db2.gz DKIAPAXFVCEGHS-UHFFFAOYSA-N 1 2 243.354 3.144 20 0 BGADLO CCOC(=O)CCC[N@@H+](C)c1cc(C)ccc1C ZINC000338729892 170201065 /nfs/dbraw/zinc/20/10/65/170201065.db2.gz MDYMCNURFCMONK-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CCOC(=O)CCC[N@H+](C)c1cc(C)ccc1C ZINC000338729892 170201064 /nfs/dbraw/zinc/20/10/64/170201064.db2.gz MDYMCNURFCMONK-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CCOC(=O)CCC[N@@H+](C)c1cccc(C)c1C ZINC000338730683 170200304 /nfs/dbraw/zinc/20/03/04/170200304.db2.gz SMPORGYGPDMSMF-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CCOC(=O)CCC[N@H+](C)c1cccc(C)c1C ZINC000338730683 170200301 /nfs/dbraw/zinc/20/03/01/170200301.db2.gz SMPORGYGPDMSMF-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CCOC(=O)CCC[N@@H+](C)c1cc(C)cc(C)c1 ZINC000338731366 170200958 /nfs/dbraw/zinc/20/09/58/170200958.db2.gz ZVDMHJPZGSJSAJ-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CCOC(=O)CCC[N@H+](C)c1cc(C)cc(C)c1 ZINC000338731366 170200956 /nfs/dbraw/zinc/20/09/56/170200956.db2.gz ZVDMHJPZGSJSAJ-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CC(C)c1nc(N2CC3(C2)CCCCC3)cc[nH+]1 ZINC000338734601 188189428 /nfs/dbraw/zinc/18/94/28/188189428.db2.gz SOXVMDNAEPMBSG-UHFFFAOYSA-N 1 2 245.370 3.371 20 0 BGADLO CCC1(CC)CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000338734609 386120319 /nfs/dbraw/zinc/12/03/19/386120319.db2.gz SZYFFEQISVQESR-UHFFFAOYSA-N 1 2 233.359 3.226 20 0 BGADLO CCC1(CC)CN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000338734611 386120390 /nfs/dbraw/zinc/12/03/90/386120390.db2.gz TYZBVLASZHNRAX-UHFFFAOYSA-N 1 2 233.359 3.028 20 0 BGADLO CCC1(CC)CN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000338734897 386119439 /nfs/dbraw/zinc/11/94/39/386119439.db2.gz WSZFTGRHAOFSDF-UHFFFAOYSA-N 1 2 245.370 3.289 20 0 BGADLO Cc1nc(N2CC3(C2)CCCCC3)c(C)c(C)[nH+]1 ZINC000338734933 386118514 /nfs/dbraw/zinc/11/85/14/386118514.db2.gz XTPQHYCLJLVCBO-UHFFFAOYSA-N 1 2 245.370 3.172 20 0 BGADLO CCOC(=O)CCC[N@H+](c1ccccc1)C(C)C ZINC000338735348 170200715 /nfs/dbraw/zinc/20/07/15/170200715.db2.gz VUYLYYAGCSTFCY-UHFFFAOYSA-N 1 2 249.354 3.245 20 0 BGADLO CCOC(=O)CCC[N@@H+](c1ccccc1)C(C)C ZINC000338735348 170200714 /nfs/dbraw/zinc/20/07/14/170200714.db2.gz VUYLYYAGCSTFCY-UHFFFAOYSA-N 1 2 249.354 3.245 20 0 BGADLO Cc1nc(NC2CC(C(C)(C)C)C2)cc[nH+]1 ZINC000338736277 180199298 /nfs/dbraw/zinc/19/92/98/180199298.db2.gz ISIPOKRCGILZBG-UHFFFAOYSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(NC2CC(C(C)(C)C)C2)nc[nH+]1 ZINC000338736319 178153889 /nfs/dbraw/zinc/15/38/89/178153889.db2.gz JOEJPQSNUWUWFJ-UHFFFAOYSA-N 1 2 219.332 3.022 20 0 BGADLO CC(C)(C)C1CC(Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000338738646 386123009 /nfs/dbraw/zinc/12/30/09/386123009.db2.gz ZBJZOBLUACHGST-UHFFFAOYSA-N 1 2 245.370 3.013 20 0 BGADLO COc1cccc2c(NCC[C@H](C)F)cc[nH+]c12 ZINC000338747633 175300159 /nfs/dbraw/zinc/30/01/59/175300159.db2.gz DJHFXBHHMFETBF-JTQLQIEISA-N 1 2 248.301 3.403 20 0 BGADLO COc1cccc2c(NCC[C@@H](C)F)cc[nH+]c12 ZINC000338747635 175300499 /nfs/dbraw/zinc/30/04/99/175300499.db2.gz DJHFXBHHMFETBF-SNVBAGLBSA-N 1 2 248.301 3.403 20 0 BGADLO c1ccc2[nH+]c(N3CC[C@H](CC4CC4)C3)[nH]c2c1 ZINC000338806174 386145164 /nfs/dbraw/zinc/14/51/64/386145164.db2.gz WCUKFUSOGDOVSV-GFCCVEGCSA-N 1 2 241.338 3.189 20 0 BGADLO c1ccc2[nH+]c(N3CC[C@@H](CC4CC4)C3)[nH]c2c1 ZINC000338806177 386144705 /nfs/dbraw/zinc/14/47/05/386144705.db2.gz WCUKFUSOGDOVSV-LBPRGKRZSA-N 1 2 241.338 3.189 20 0 BGADLO Cc1nc(N2CC[C@@H](CC3CC3)C2)c(C)c(C)[nH+]1 ZINC000338807192 386144935 /nfs/dbraw/zinc/14/49/35/386144935.db2.gz CSEVLCRSSAJTQG-AWEZNQCLSA-N 1 2 245.370 3.028 20 0 BGADLO Cc1nc(N2CC[C@H](CC3CC3)C2)c(C)c(C)[nH+]1 ZINC000338807193 386145024 /nfs/dbraw/zinc/14/50/24/386145024.db2.gz CSEVLCRSSAJTQG-CQSZACIVSA-N 1 2 245.370 3.028 20 0 BGADLO CC1(C)CCC[C@@H]1CNc1cccc[nH+]1 ZINC000338807355 343691479 /nfs/dbraw/zinc/69/14/79/343691479.db2.gz GFBSXXIZGDPNSV-LLVKDONJSA-N 1 2 204.317 3.320 20 0 BGADLO CC1(C)CCC[C@H]1CNc1cccc[nH+]1 ZINC000338807356 343691330 /nfs/dbraw/zinc/69/13/30/343691330.db2.gz GFBSXXIZGDPNSV-NSHDSACASA-N 1 2 204.317 3.320 20 0 BGADLO FC[C@H]1CCCN1c1[nH+]ccc2ccc(F)cc21 ZINC000338809394 384624678 /nfs/dbraw/zinc/62/46/78/384624678.db2.gz USKKLRNCTHMVME-GFCCVEGCSA-N 1 2 248.276 3.312 20 0 BGADLO FC[C@@H]1CCCN1c1[nH+]ccc2ccc(F)cc21 ZINC000338809395 384626550 /nfs/dbraw/zinc/62/65/50/384626550.db2.gz USKKLRNCTHMVME-LBPRGKRZSA-N 1 2 248.276 3.312 20 0 BGADLO CC(C)(CCNc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000338814599 187328342 /nfs/dbraw/zinc/32/83/42/187328342.db2.gz QORIZMHRAFIAFL-UHFFFAOYSA-N 1 2 245.370 3.014 20 0 BGADLO CC(C)c1nc(N2CC[C@H](CC3CC3)C2)cc[nH+]1 ZINC000338815358 386152379 /nfs/dbraw/zinc/15/23/79/386152379.db2.gz ZJWHLTNXCZYVJB-CYBMUJFWSA-N 1 2 245.370 3.226 20 0 BGADLO CC(C)c1nc(N2CC[C@@H](CC3CC3)C2)cc[nH+]1 ZINC000338815359 386151516 /nfs/dbraw/zinc/15/15/16/386151516.db2.gz ZJWHLTNXCZYVJB-ZDUSSCGKSA-N 1 2 245.370 3.226 20 0 BGADLO CC1C[NH+](Cc2ccc(C(F)(F)F)s2)C1 ZINC000338951719 168190641 /nfs/dbraw/zinc/19/06/41/168190641.db2.gz LEGLVIUEOKSULI-UHFFFAOYSA-N 1 2 235.274 3.219 20 0 BGADLO CC1C[NH+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000338953247 168190578 /nfs/dbraw/zinc/19/05/78/168190578.db2.gz JSBKRMJVCHRCOW-UHFFFAOYSA-N 1 2 247.235 3.296 20 0 BGADLO CC1C[NH+](Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000338954287 168191681 /nfs/dbraw/zinc/19/16/81/168191681.db2.gz PCOPUBDOXDCLNY-UHFFFAOYSA-N 1 2 247.235 3.296 20 0 BGADLO CCc1ccc(C[NH+]2Cc3ccccc3C2)nc1 ZINC000338978263 386195237 /nfs/dbraw/zinc/19/52/37/386195237.db2.gz PAYCLXXZAZTXDZ-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO c1ccc(OCCCCNc2cccc[nH+]2)cc1 ZINC000339021268 386215809 /nfs/dbraw/zinc/21/58/09/386215809.db2.gz MWPXIODSCZLVCA-UHFFFAOYSA-N 1 2 242.322 3.353 20 0 BGADLO Cc1cccc(CN(C)c2cccc[nH+]2)c1 ZINC000339031296 179072094 /nfs/dbraw/zinc/07/20/94/179072094.db2.gz DWTUREDZRFGQBW-UHFFFAOYSA-N 1 2 212.296 3.026 20 0 BGADLO COc1cccc([C@@H](C)Nc2cccc[nH+]2)c1 ZINC000339032165 175287785 /nfs/dbraw/zinc/28/77/85/175287785.db2.gz BYZDDFRVFCTXHW-LLVKDONJSA-N 1 2 228.295 3.263 20 0 BGADLO COc1cccc([C@H](C)Nc2cccc[nH+]2)c1 ZINC000339032166 175294126 /nfs/dbraw/zinc/29/41/26/175294126.db2.gz BYZDDFRVFCTXHW-NSHDSACASA-N 1 2 228.295 3.263 20 0 BGADLO C[C@@H]1CCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000339055566 176111503 /nfs/dbraw/zinc/11/15/03/176111503.db2.gz YHODDYCZMNRRIE-MRVPVSSYSA-N 1 2 230.233 3.089 20 0 BGADLO C[C@H]1CCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000339055567 177111418 /nfs/dbraw/zinc/11/14/18/177111418.db2.gz YHODDYCZMNRRIE-QMMMGPOBSA-N 1 2 230.233 3.089 20 0 BGADLO Cc1c[nH+]ccc1CCNc1ncccc1Cl ZINC000339057541 386227338 /nfs/dbraw/zinc/22/73/38/386227338.db2.gz ZEYHQZYAYFADHJ-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000339061229 386229857 /nfs/dbraw/zinc/22/98/57/386229857.db2.gz ZWJBQKZFPXFWNR-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000339061229 386229855 /nfs/dbraw/zinc/22/98/55/386229855.db2.gz ZWJBQKZFPXFWNR-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC000339061230 386228916 /nfs/dbraw/zinc/22/89/16/386228916.db2.gz ZWJBQKZFPXFWNR-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC000339061230 386228914 /nfs/dbraw/zinc/22/89/14/386228914.db2.gz ZWJBQKZFPXFWNR-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO CCC(CC)Sc1[nH+]cnc2[nH]ccc21 ZINC000339131951 168396516 /nfs/dbraw/zinc/39/65/16/168396516.db2.gz LFYOCSGSLUOIER-UHFFFAOYSA-N 1 2 221.329 3.239 20 0 BGADLO Cc1ccccc1Sc1[nH+]cnc2[nH]ccc21 ZINC000339132006 179316144 /nfs/dbraw/zinc/31/61/44/179316144.db2.gz GHFPCFBKTUSYGI-UHFFFAOYSA-N 1 2 241.319 3.418 20 0 BGADLO Cc1cccc(Sc2[nH+]cnc3[nH]ccc32)c1 ZINC000339134132 179177148 /nfs/dbraw/zinc/17/71/48/179177148.db2.gz GAFTXHSEZCSRMC-UHFFFAOYSA-N 1 2 241.319 3.418 20 0 BGADLO CCCCc1ccc(OCc2c[nH+]cn2C)cc1 ZINC000339204069 169021920 /nfs/dbraw/zinc/02/19/20/169021920.db2.gz XQKNQBUKXWFJTO-UHFFFAOYSA-N 1 2 244.338 3.342 20 0 BGADLO Cc1cc(N2CC=C(C)CC2)nc(C(C)C)[nH+]1 ZINC000339220354 132457144 /nfs/dbraw/zinc/45/71/44/132457144.db2.gz SYBHLXHTUWRSQY-UHFFFAOYSA-N 1 2 231.343 3.065 20 0 BGADLO Cc1ccc(Nc2[nH+]cnc3[nH]ccc32)cc1F ZINC000339233994 386311641 /nfs/dbraw/zinc/31/16/41/386311641.db2.gz SJWSVWILSPKLPF-UHFFFAOYSA-N 1 2 242.257 3.149 20 0 BGADLO COc1ccc(F)c(CNc2ccc(C)[nH+]c2)c1 ZINC000339304722 350747816 /nfs/dbraw/zinc/74/78/16/350747816.db2.gz MMPQUZXGEBUHLZ-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1ccc(F)c(CNc2ccc[nH+]c2C)c1 ZINC000339312877 175125666 /nfs/dbraw/zinc/12/56/66/175125666.db2.gz BACAVGKBZXNKDO-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1ccc(F)c(CNc2c[nH+]ccc2C)c1 ZINC000339316559 175125337 /nfs/dbraw/zinc/12/53/37/175125337.db2.gz QALKQEYBVCEKNM-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1ccc(F)c(CNc2c[nH+]cc(C)c2)c1 ZINC000339320182 175125916 /nfs/dbraw/zinc/12/59/16/175125916.db2.gz JTEZNDOCGYDSDN-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO Cc1nocc1C[NH2+]C1(C(F)F)CCCCC1 ZINC000339389915 386400502 /nfs/dbraw/zinc/40/05/02/386400502.db2.gz BIGLBLFTJRSARJ-UHFFFAOYSA-N 1 2 244.285 3.041 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)[C@@H]1C ZINC000339562101 176310815 /nfs/dbraw/zinc/31/08/15/176310815.db2.gz GSDSTORGBGDRAG-NXEZZACHSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)[C@@H]1C ZINC000339562101 176310813 /nfs/dbraw/zinc/31/08/13/176310813.db2.gz GSDSTORGBGDRAG-NXEZZACHSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)[C@H]1C ZINC000339562103 177270552 /nfs/dbraw/zinc/27/05/52/177270552.db2.gz GSDSTORGBGDRAG-UWVGGRQHSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)[C@H]1C ZINC000339562103 177270550 /nfs/dbraw/zinc/27/05/50/177270550.db2.gz GSDSTORGBGDRAG-UWVGGRQHSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000339562105 177270431 /nfs/dbraw/zinc/27/04/31/177270431.db2.gz GSDSTORGBGDRAG-VHSXEESVSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000339562105 177270429 /nfs/dbraw/zinc/27/04/29/177270429.db2.gz GSDSTORGBGDRAG-VHSXEESVSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)[C@H]1C ZINC000339562106 386474676 /nfs/dbraw/zinc/47/46/76/386474676.db2.gz GSDSTORGBGDRAG-ZJUUUORDSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)[C@H]1C ZINC000339562106 386474673 /nfs/dbraw/zinc/47/46/73/386474673.db2.gz GSDSTORGBGDRAG-ZJUUUORDSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)cc2Cl)[C@@H]1C ZINC000339563732 176312150 /nfs/dbraw/zinc/31/21/50/176312150.db2.gz PNSDIDIEFVAOHQ-HTQZYQBOSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)cc2Cl)[C@@H]1C ZINC000339563732 176312148 /nfs/dbraw/zinc/31/21/48/176312148.db2.gz PNSDIDIEFVAOHQ-HTQZYQBOSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ncc(Cl)cc1Cl ZINC000339563746 177270760 /nfs/dbraw/zinc/27/07/60/177270760.db2.gz PNSDIDIEFVAOHQ-JGVFFNPUSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ncc(Cl)cc1Cl ZINC000339563746 177270759 /nfs/dbraw/zinc/27/07/59/177270759.db2.gz PNSDIDIEFVAOHQ-JGVFFNPUSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ncc(Cl)cc2Cl)[C@H]1C ZINC000339563748 386478209 /nfs/dbraw/zinc/47/82/09/386478209.db2.gz PNSDIDIEFVAOHQ-SFYZADRCSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ncc(Cl)cc2Cl)[C@H]1C ZINC000339563748 386478203 /nfs/dbraw/zinc/47/82/03/386478203.db2.gz PNSDIDIEFVAOHQ-SFYZADRCSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@H]1C[N@@H+](Cc2ncc(Cl)cc2Cl)[C@H]1C ZINC000339563749 177271230 /nfs/dbraw/zinc/27/12/30/177271230.db2.gz PNSDIDIEFVAOHQ-YUMQZZPRSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@H]1C[N@H+](Cc2ncc(Cl)cc2Cl)[C@H]1C ZINC000339563749 177271228 /nfs/dbraw/zinc/27/12/28/177271228.db2.gz PNSDIDIEFVAOHQ-YUMQZZPRSA-N 1 2 245.153 3.229 20 0 BGADLO CC(C)c1nc(C[N@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000339568287 386466225 /nfs/dbraw/zinc/46/62/25/386466225.db2.gz PMFQVJDQOSUDAO-NXEZZACHSA-N 1 2 224.373 3.107 20 0 BGADLO CC(C)c1nc(C[N@@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000339568287 386466223 /nfs/dbraw/zinc/46/62/23/386466223.db2.gz PMFQVJDQOSUDAO-NXEZZACHSA-N 1 2 224.373 3.107 20 0 BGADLO CC(C)c1nc(C[N@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000339568288 386467320 /nfs/dbraw/zinc/46/73/20/386467320.db2.gz PMFQVJDQOSUDAO-UWVGGRQHSA-N 1 2 224.373 3.107 20 0 BGADLO CC(C)c1nc(C[N@@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000339568288 386467313 /nfs/dbraw/zinc/46/73/13/386467313.db2.gz PMFQVJDQOSUDAO-UWVGGRQHSA-N 1 2 224.373 3.107 20 0 BGADLO CC(C)c1nc(C[N@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000339568289 386466463 /nfs/dbraw/zinc/46/64/63/386466463.db2.gz PMFQVJDQOSUDAO-VHSXEESVSA-N 1 2 224.373 3.107 20 0 BGADLO CC(C)c1nc(C[N@@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000339568289 386466461 /nfs/dbraw/zinc/46/64/61/386466461.db2.gz PMFQVJDQOSUDAO-VHSXEESVSA-N 1 2 224.373 3.107 20 0 BGADLO CCCCc1nc(C[N@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000339569060 169025318 /nfs/dbraw/zinc/02/53/18/169025318.db2.gz PXTFEJCOMJTGFA-GHMZBOCLSA-N 1 2 238.400 3.326 20 0 BGADLO CCCCc1nc(C[N@@H+]2C[C@@H](C)[C@H]2C)cs1 ZINC000339569060 169025316 /nfs/dbraw/zinc/02/53/16/169025316.db2.gz PXTFEJCOMJTGFA-GHMZBOCLSA-N 1 2 238.400 3.326 20 0 BGADLO CCCCc1nc(C[N@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000339569061 169026106 /nfs/dbraw/zinc/02/61/06/169026106.db2.gz PXTFEJCOMJTGFA-MNOVXSKESA-N 1 2 238.400 3.326 20 0 BGADLO CCCCc1nc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000339569061 169026105 /nfs/dbraw/zinc/02/61/05/169026105.db2.gz PXTFEJCOMJTGFA-MNOVXSKESA-N 1 2 238.400 3.326 20 0 BGADLO CCCCc1nc(C[N@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000339569063 169026540 /nfs/dbraw/zinc/02/65/40/169026540.db2.gz PXTFEJCOMJTGFA-QWRGUYRKSA-N 1 2 238.400 3.326 20 0 BGADLO CCCCc1nc(C[N@@H+]2C[C@H](C)[C@@H]2C)cs1 ZINC000339569063 169026538 /nfs/dbraw/zinc/02/65/38/169026538.db2.gz PXTFEJCOMJTGFA-QWRGUYRKSA-N 1 2 238.400 3.326 20 0 BGADLO CCCCc1nc(C[N@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000339569064 169025942 /nfs/dbraw/zinc/02/59/42/169025942.db2.gz PXTFEJCOMJTGFA-WDEREUQCSA-N 1 2 238.400 3.326 20 0 BGADLO CCCCc1nc(C[N@@H+]2C[C@H](C)[C@H]2C)cs1 ZINC000339569064 169025941 /nfs/dbraw/zinc/02/59/41/169025941.db2.gz PXTFEJCOMJTGFA-WDEREUQCSA-N 1 2 238.400 3.326 20 0 BGADLO CC(C)c1nc(C[N@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000339569152 386467228 /nfs/dbraw/zinc/46/72/28/386467228.db2.gz PMFQVJDQOSUDAO-ZJUUUORDSA-N 1 2 224.373 3.107 20 0 BGADLO CC(C)c1nc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cs1 ZINC000339569152 386467225 /nfs/dbraw/zinc/46/72/25/386467225.db2.gz PMFQVJDQOSUDAO-ZJUUUORDSA-N 1 2 224.373 3.107 20 0 BGADLO F[C@@H]1CCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000339581270 386486208 /nfs/dbraw/zinc/48/62/08/386486208.db2.gz BJHZTDCVUMPTHL-GHMZBOCLSA-N 1 2 240.347 3.001 20 0 BGADLO F[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000339581271 388486488 /nfs/dbraw/zinc/48/64/88/388486488.db2.gz BJHZTDCVUMPTHL-MNOVXSKESA-N 1 2 240.347 3.001 20 0 BGADLO F[C@H]1CCC[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000339581273 386484782 /nfs/dbraw/zinc/48/47/82/386484782.db2.gz BJHZTDCVUMPTHL-QWRGUYRKSA-N 1 2 240.347 3.001 20 0 BGADLO F[C@H]1CCC[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000339581274 388486174 /nfs/dbraw/zinc/48/61/74/388486174.db2.gz BJHZTDCVUMPTHL-WDEREUQCSA-N 1 2 240.347 3.001 20 0 BGADLO CCSCC[N@@H+](C)Cc1c(F)cccc1F ZINC000339599145 386483780 /nfs/dbraw/zinc/48/37/80/386483780.db2.gz RFDLXJDPTXJWPZ-UHFFFAOYSA-N 1 2 245.338 3.150 20 0 BGADLO CCSCC[N@H+](C)Cc1c(F)cccc1F ZINC000339599145 386483773 /nfs/dbraw/zinc/48/37/73/386483773.db2.gz RFDLXJDPTXJWPZ-UHFFFAOYSA-N 1 2 245.338 3.150 20 0 BGADLO CC[C@@H](F)C[N@@H+](C)Cc1c(F)cccc1F ZINC000339600939 187329437 /nfs/dbraw/zinc/32/94/37/187329437.db2.gz ZYLIVXWLSFBOCD-SECBINFHSA-N 1 2 231.261 3.145 20 0 BGADLO CC[C@@H](F)C[N@H+](C)Cc1c(F)cccc1F ZINC000339600939 187329435 /nfs/dbraw/zinc/32/94/35/187329435.db2.gz ZYLIVXWLSFBOCD-SECBINFHSA-N 1 2 231.261 3.145 20 0 BGADLO CC[C@H](F)C[N@@H+](C)Cc1c(F)cccc1F ZINC000339600940 386482419 /nfs/dbraw/zinc/48/24/19/386482419.db2.gz ZYLIVXWLSFBOCD-VIFPVBQESA-N 1 2 231.261 3.145 20 0 BGADLO CC[C@H](F)C[N@H+](C)Cc1c(F)cccc1F ZINC000339600940 386482415 /nfs/dbraw/zinc/48/24/15/386482415.db2.gz ZYLIVXWLSFBOCD-VIFPVBQESA-N 1 2 231.261 3.145 20 0 BGADLO CC1=CC[N@@H+](Cc2csc(C(C)C)n2)CC1 ZINC000339629774 168114733 /nfs/dbraw/zinc/11/47/33/168114733.db2.gz RNLOPHDFDBUUQP-UHFFFAOYSA-N 1 2 236.384 3.419 20 0 BGADLO CC1=CC[N@H+](Cc2csc(C(C)C)n2)CC1 ZINC000339629774 168114732 /nfs/dbraw/zinc/11/47/32/168114732.db2.gz RNLOPHDFDBUUQP-UHFFFAOYSA-N 1 2 236.384 3.419 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC000339663230 386512871 /nfs/dbraw/zinc/51/28/71/386512871.db2.gz CZIRDFALYKAWOE-JTQLQIEISA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000339663230 386512868 /nfs/dbraw/zinc/51/28/68/386512868.db2.gz CZIRDFALYKAWOE-JTQLQIEISA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC000339663231 386511790 /nfs/dbraw/zinc/51/17/90/386511790.db2.gz CZIRDFALYKAWOE-SNVBAGLBSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000339663231 386511781 /nfs/dbraw/zinc/51/17/81/386511781.db2.gz CZIRDFALYKAWOE-SNVBAGLBSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000339663577 386511973 /nfs/dbraw/zinc/51/19/73/386511973.db2.gz HTXIQBRLKCVHSS-LLVKDONJSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000339663577 386511969 /nfs/dbraw/zinc/51/19/69/386511969.db2.gz HTXIQBRLKCVHSS-LLVKDONJSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1Cl ZINC000339663578 386513299 /nfs/dbraw/zinc/51/32/99/386513299.db2.gz HTXIQBRLKCVHSS-NSHDSACASA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1Cl ZINC000339663578 386513295 /nfs/dbraw/zinc/51/32/95/386513295.db2.gz HTXIQBRLKCVHSS-NSHDSACASA-N 1 2 245.700 3.413 20 0 BGADLO CC(C)c1nc(C[N@H+]2CCC[C@@H]2CF)cs1 ZINC000339663699 386511333 /nfs/dbraw/zinc/51/13/33/386511333.db2.gz FDULHGUFIWRSEN-LLVKDONJSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1nc(C[N@@H+]2CCC[C@@H]2CF)cs1 ZINC000339663699 386511326 /nfs/dbraw/zinc/51/13/26/386511326.db2.gz FDULHGUFIWRSEN-LLVKDONJSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1nc(C[N@H+]2CCC[C@H]2CF)cs1 ZINC000339663700 386511310 /nfs/dbraw/zinc/51/13/10/386511310.db2.gz FDULHGUFIWRSEN-NSHDSACASA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1nc(C[N@@H+]2CCC[C@H]2CF)cs1 ZINC000339663700 386511301 /nfs/dbraw/zinc/51/13/01/386511301.db2.gz FDULHGUFIWRSEN-NSHDSACASA-N 1 2 242.363 3.200 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1c(F)cccc1Cl ZINC000339663830 386513237 /nfs/dbraw/zinc/51/32/37/386513237.db2.gz HEKZUKXMJVKPFH-SECBINFHSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000339663830 386513233 /nfs/dbraw/zinc/51/32/33/386513233.db2.gz HEKZUKXMJVKPFH-SECBINFHSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1Cl ZINC000339663831 386511508 /nfs/dbraw/zinc/51/15/08/386511508.db2.gz HEKZUKXMJVKPFH-VIFPVBQESA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1Cl ZINC000339663831 386511502 /nfs/dbraw/zinc/51/15/02/386511502.db2.gz HEKZUKXMJVKPFH-VIFPVBQESA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000339663951 386510999 /nfs/dbraw/zinc/51/09/99/386510999.db2.gz KWQKRVCLYRZLPT-JTQLQIEISA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000339663951 386510992 /nfs/dbraw/zinc/51/09/92/386510992.db2.gz KWQKRVCLYRZLPT-JTQLQIEISA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000339663952 386512553 /nfs/dbraw/zinc/51/25/53/386512553.db2.gz KWQKRVCLYRZLPT-SNVBAGLBSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000339663952 386512545 /nfs/dbraw/zinc/51/25/45/386512545.db2.gz KWQKRVCLYRZLPT-SNVBAGLBSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000339665371 386512702 /nfs/dbraw/zinc/51/27/02/386512702.db2.gz PSGSGDPKRDNZET-JTQLQIEISA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000339665371 386512697 /nfs/dbraw/zinc/51/26/97/386512697.db2.gz PSGSGDPKRDNZET-JTQLQIEISA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000339665372 386513265 /nfs/dbraw/zinc/51/32/65/386513265.db2.gz PSGSGDPKRDNZET-SNVBAGLBSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000339665372 386513260 /nfs/dbraw/zinc/51/32/60/386513260.db2.gz PSGSGDPKRDNZET-SNVBAGLBSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000339668927 386513388 /nfs/dbraw/zinc/51/33/88/386513388.db2.gz SXJOBLNBTSHBMV-LLVKDONJSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000339668927 386513383 /nfs/dbraw/zinc/51/33/83/386513383.db2.gz SXJOBLNBTSHBMV-LLVKDONJSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000339668928 386513077 /nfs/dbraw/zinc/51/30/77/386513077.db2.gz SXJOBLNBTSHBMV-NSHDSACASA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000339668928 386513074 /nfs/dbraw/zinc/51/30/74/386513074.db2.gz SXJOBLNBTSHBMV-NSHDSACASA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC000339669176 386512897 /nfs/dbraw/zinc/51/28/97/386512897.db2.gz CBHHBYUPSCNFFU-LLVKDONJSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC000339669176 386512893 /nfs/dbraw/zinc/51/28/93/386512893.db2.gz CBHHBYUPSCNFFU-LLVKDONJSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC000339669178 386512752 /nfs/dbraw/zinc/51/27/52/386512752.db2.gz CBHHBYUPSCNFFU-NSHDSACASA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC000339669178 386512750 /nfs/dbraw/zinc/51/27/50/386512750.db2.gz CBHHBYUPSCNFFU-NSHDSACASA-N 1 2 245.700 3.413 20 0 BGADLO COc1cc(C)[nH+]c(CSc2ccccn2)c1 ZINC000339703198 174973415 /nfs/dbraw/zinc/97/34/15/174973415.db2.gz YCRREJPXOLEQNG-UHFFFAOYSA-N 1 2 246.335 3.086 20 0 BGADLO COc1cc(C)[nH+]c(CSc2ccncc2)c1 ZINC000339740943 188369560 /nfs/dbraw/zinc/36/95/60/188369560.db2.gz TXFSWJNFPBWULQ-UHFFFAOYSA-N 1 2 246.335 3.086 20 0 BGADLO COc1cc(C)[nH+]c(CSCC(C)C)c1 ZINC000339741191 386570212 /nfs/dbraw/zinc/57/02/12/386570212.db2.gz YSIDLZDUNCUTTR-UHFFFAOYSA-N 1 2 225.357 3.288 20 0 BGADLO COc1cc(C)[nH+]c(CSCc2ccco2)c1 ZINC000339742052 386573452 /nfs/dbraw/zinc/57/34/52/386573452.db2.gz IFFIYSVJOWSXNE-UHFFFAOYSA-N 1 2 249.335 3.425 20 0 BGADLO CC[N@@H+](CCCOC)c1cc(C)ccc1C ZINC000339945721 386829528 /nfs/dbraw/zinc/82/95/28/386829528.db2.gz XERNLOORKGFWKK-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO CC[N@H+](CCCOC)c1cc(C)ccc1C ZINC000339945721 386829520 /nfs/dbraw/zinc/82/95/20/386829520.db2.gz XERNLOORKGFWKK-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO CCc1nc(N2CCc3ccccc32)cc(C)[nH+]1 ZINC000339969363 350875278 /nfs/dbraw/zinc/87/52/78/350875278.db2.gz SFAQYENLYRPDNM-UHFFFAOYSA-N 1 2 239.322 3.042 20 0 BGADLO CCc1nc(Nc2ccc(OC)cc2)cc(C)[nH+]1 ZINC000339977603 350881980 /nfs/dbraw/zinc/88/19/80/350881980.db2.gz OLNQDOQMNWAJBQ-UHFFFAOYSA-N 1 2 243.310 3.100 20 0 BGADLO CC(C)(C)C1=CCN(c2cccc[nH+]2)CC1 ZINC000340040309 385716940 /nfs/dbraw/zinc/71/69/40/385716940.db2.gz BZEIVEQDEGVYOY-UHFFFAOYSA-N 1 2 216.328 3.264 20 0 BGADLO Cc1cc(N2CCCC23CCCCC3)nc[nH+]1 ZINC000340083407 136285925 /nfs/dbraw/zinc/28/59/25/136285925.db2.gz RZDSMFZZDUXUDC-UHFFFAOYSA-N 1 2 231.343 3.088 20 0 BGADLO Fc1ccc2cc[nH+]c(N3CCCCC3)c2c1 ZINC000340201019 132213993 /nfs/dbraw/zinc/21/39/93/132213993.db2.gz HOCUWZTUVJUBCX-UHFFFAOYSA-N 1 2 230.286 3.364 20 0 BGADLO C[C@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340250466 177173071 /nfs/dbraw/zinc/17/30/71/177173071.db2.gz BGKQWWWSKIJWFD-JTQLQIEISA-N 1 2 230.286 3.220 20 0 BGADLO C[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000340250470 176182680 /nfs/dbraw/zinc/18/26/80/176182680.db2.gz BGKQWWWSKIJWFD-SNVBAGLBSA-N 1 2 230.286 3.220 20 0 BGADLO CC(C)[C@H](C)[NH+](C)C[C@@H]1CCCC[N@H+]1C(C)C ZINC000340286015 188387696 /nfs/dbraw/zinc/38/76/96/188387696.db2.gz KHYXARCFKKAWAH-GJZGRUSLSA-N 1 2 240.435 3.226 20 0 BGADLO CC(C)[C@H](C)[NH+](C)C[C@H]1CCCC[N@H+]1C(C)C ZINC000340286017 386206742 /nfs/dbraw/zinc/20/67/42/386206742.db2.gz KHYXARCFKKAWAH-LSDHHAIUSA-N 1 2 240.435 3.226 20 0 BGADLO CC(C)[C@H](C)[NH+](C)C[C@H]1CCCC[N@@H+]1C(C)C ZINC000340286017 386206740 /nfs/dbraw/zinc/20/67/40/386206740.db2.gz KHYXARCFKKAWAH-LSDHHAIUSA-N 1 2 240.435 3.226 20 0 BGADLO CC[C@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000340586947 171275924 /nfs/dbraw/zinc/27/59/24/171275924.db2.gz IMUAOUCLEQGTRG-JTQLQIEISA-N 1 2 233.359 3.145 20 0 BGADLO CC[C@@H](C)CN(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000340586948 386289170 /nfs/dbraw/zinc/28/91/70/386289170.db2.gz IMUAOUCLEQGTRG-SNVBAGLBSA-N 1 2 233.359 3.145 20 0 BGADLO CC[C@@H](C)CN(C)c1cc[nH+]c(C(C)C)n1 ZINC000340587515 386286964 /nfs/dbraw/zinc/28/69/64/386286964.db2.gz JVWMIGWDKLOOAY-LLVKDONJSA-N 1 2 221.348 3.082 20 0 BGADLO CC[C@H](C)CN(C)c1cc[nH+]c(C(C)C)n1 ZINC000340587517 171276148 /nfs/dbraw/zinc/27/61/48/171276148.db2.gz JVWMIGWDKLOOAY-NSHDSACASA-N 1 2 221.348 3.082 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCCCCF ZINC000340596958 171965437 /nfs/dbraw/zinc/96/54/37/171965437.db2.gz OTIMFPLYGQYDFP-UHFFFAOYSA-N 1 2 225.307 3.471 20 0 BGADLO FCCCCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000340601907 386343348 /nfs/dbraw/zinc/34/33/48/386343348.db2.gz ZLBJHMVOUUOMRG-UHFFFAOYSA-N 1 2 248.301 3.391 20 0 BGADLO CCOc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000340603194 386351163 /nfs/dbraw/zinc/35/11/63/386351163.db2.gz AGRLXOSGGYSCRO-UHFFFAOYSA-N 1 2 242.322 3.285 20 0 BGADLO FCCCCC[NH2+]c1ccc(-n2cccn2)cc1 ZINC000340603493 386351150 /nfs/dbraw/zinc/35/11/50/386351150.db2.gz OBGBQRHPLVJQSQ-UHFFFAOYSA-N 1 2 247.317 3.424 20 0 BGADLO Cc1ccn(-c2ccc([NH2+]CCC3CC3)cc2)n1 ZINC000340616174 179399061 /nfs/dbraw/zinc/39/90/61/179399061.db2.gz RVQQRSOOBOBPKB-UHFFFAOYSA-N 1 2 241.338 3.393 20 0 BGADLO Cc1ccn(-c2ccc([NH2+]CC3CCC3)cc2)n1 ZINC000340620356 179399339 /nfs/dbraw/zinc/39/93/39/179399339.db2.gz KYSVUGASKYXRRX-UHFFFAOYSA-N 1 2 241.338 3.393 20 0 BGADLO CCCC[NH2+]c1ccc(-n2ccc(C)n2)cc1 ZINC000340620884 386423790 /nfs/dbraw/zinc/42/37/90/386423790.db2.gz GUOGYARDMSEJPL-UHFFFAOYSA-N 1 2 229.327 3.393 20 0 BGADLO Cc1ccn(-c2ccc([NH2+]CC3CC3)cc2)n1 ZINC000340626848 179399867 /nfs/dbraw/zinc/39/98/67/179399867.db2.gz SEDZQBFRBZAQHT-UHFFFAOYSA-N 1 2 227.311 3.003 20 0 BGADLO Cc1ccn(-c2ccc([NH2+]CC(C)C)cc2)n1 ZINC000340630979 179398814 /nfs/dbraw/zinc/39/88/14/179398814.db2.gz YWZQEVOKODWPQA-UHFFFAOYSA-N 1 2 229.327 3.249 20 0 BGADLO c1[nH+]c(SCCC2CC2)n2ccccc12 ZINC000340665477 386632521 /nfs/dbraw/zinc/63/25/21/386632521.db2.gz MUBDACWMCUHUCS-UHFFFAOYSA-N 1 2 218.325 3.227 20 0 BGADLO FC1=CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000340735860 386756704 /nfs/dbraw/zinc/75/67/04/386756704.db2.gz FKDDLJVSJXOWRG-UHFFFAOYSA-N 1 2 225.694 3.399 20 0 BGADLO FC1=CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000340735860 386756699 /nfs/dbraw/zinc/75/66/99/386756699.db2.gz FKDDLJVSJXOWRG-UHFFFAOYSA-N 1 2 225.694 3.399 20 0 BGADLO Cc1nc(N2CCC[C@H](C3CC3)C2)c(C)c(C)[nH+]1 ZINC000340851465 132225563 /nfs/dbraw/zinc/22/55/63/132225563.db2.gz XJEZDBHSEOYCNA-AWEZNQCLSA-N 1 2 245.370 3.028 20 0 BGADLO Cc1nc(N2CCC[C@@H](C3CC3)C2)c(C)c(C)[nH+]1 ZINC000340851474 132225406 /nfs/dbraw/zinc/22/54/06/132225406.db2.gz XJEZDBHSEOYCNA-CQSZACIVSA-N 1 2 245.370 3.028 20 0 BGADLO CCCCCSc1[nH+]cnc2[nH]ccc21 ZINC000340946227 386804033 /nfs/dbraw/zinc/80/40/33/386804033.db2.gz AFYYSQWJXPYKBN-UHFFFAOYSA-N 1 2 221.329 3.240 20 0 BGADLO F[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000340947689 386805267 /nfs/dbraw/zinc/80/52/67/386805267.db2.gz HZEWUSSFRFBCEB-BDAKNGLRSA-N 1 2 248.223 3.403 20 0 BGADLO F[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000340947690 386805076 /nfs/dbraw/zinc/80/50/76/386805076.db2.gz HZEWUSSFRFBCEB-DTWKUNHWSA-N 1 2 248.223 3.403 20 0 BGADLO F[C@H]1CC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000340947691 180944363 /nfs/dbraw/zinc/94/43/63/180944363.db2.gz HZEWUSSFRFBCEB-IUCAKERBSA-N 1 2 248.223 3.403 20 0 BGADLO F[C@@H]1CC[C@@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000340947692 386806438 /nfs/dbraw/zinc/80/64/38/386806438.db2.gz HZEWUSSFRFBCEB-RKDXNWHRSA-N 1 2 248.223 3.403 20 0 BGADLO Cc1nc(N2CC[C@H](C(C)(C)C)C[C@@H]2C)cc[nH+]1 ZINC000340968411 132225693 /nfs/dbraw/zinc/22/56/93/132225693.db2.gz KYBHLTTXSSPELO-AAEUAGOBSA-N 1 2 247.386 3.436 20 0 BGADLO Cc1nc(N2CC[C@@H](C(C)(C)C)C[C@H]2C)cc[nH+]1 ZINC000340968412 132225449 /nfs/dbraw/zinc/22/54/49/132225449.db2.gz KYBHLTTXSSPELO-DGCLKSJQSA-N 1 2 247.386 3.436 20 0 BGADLO Cc1nc(N2CC[C@@H](C(C)(C)C)C[C@@H]2C)cc[nH+]1 ZINC000340968413 132225547 /nfs/dbraw/zinc/22/55/47/132225547.db2.gz KYBHLTTXSSPELO-WCQYABFASA-N 1 2 247.386 3.436 20 0 BGADLO Cc1nc(N2CC[C@H](C(C)(C)C)C[C@H]2C)cc[nH+]1 ZINC000340968414 132225417 /nfs/dbraw/zinc/22/54/17/132225417.db2.gz KYBHLTTXSSPELO-YPMHNXCESA-N 1 2 247.386 3.436 20 0 BGADLO Cc1cc(N2CC[C@@H](C(C)(C)C)C[C@H]2C)nc[nH+]1 ZINC000340971951 132225500 /nfs/dbraw/zinc/22/55/00/132225500.db2.gz FYKOWMILZZUORE-CHWSQXEVSA-N 1 2 247.386 3.436 20 0 BGADLO Cc1cc(N2CC[C@H](C(C)(C)C)C[C@H]2C)nc[nH+]1 ZINC000340971953 132225430 /nfs/dbraw/zinc/22/54/30/132225430.db2.gz FYKOWMILZZUORE-OLZOCXBDSA-N 1 2 247.386 3.436 20 0 BGADLO Cc1cc(N2CC[C@@H](C(C)(C)C)C[C@@H]2C)nc[nH+]1 ZINC000340971955 132225521 /nfs/dbraw/zinc/22/55/21/132225521.db2.gz FYKOWMILZZUORE-QWHCGFSZSA-N 1 2 247.386 3.436 20 0 BGADLO Cc1cc(N2CC[C@H](C(C)(C)C)C[C@@H]2C)nc[nH+]1 ZINC000340971957 132225552 /nfs/dbraw/zinc/22/55/52/132225552.db2.gz FYKOWMILZZUORE-STQMWFEESA-N 1 2 247.386 3.436 20 0 BGADLO FC1(CCNc2ccc3ccccc3[nH+]2)CCC1 ZINC000340986268 386812261 /nfs/dbraw/zinc/81/22/61/386812261.db2.gz YOQDSGLFZTUGMI-UHFFFAOYSA-N 1 2 244.313 3.351 20 0 BGADLO CC(C)c1nc(N2CCC[C@@H](C3CC3)C2)cc[nH+]1 ZINC000341024857 534908352 /nfs/dbraw/zinc/90/83/52/534908352.db2.gz AQJDWXWCGOLGNA-CYBMUJFWSA-N 1 2 245.370 3.226 20 0 BGADLO CC(C)c1nc(N2CCC[C@H](C3CC3)C2)cc[nH+]1 ZINC000341024859 534908620 /nfs/dbraw/zinc/90/86/20/534908620.db2.gz AQJDWXWCGOLGNA-ZDUSSCGKSA-N 1 2 245.370 3.226 20 0 BGADLO c1ccc2[nH+]c(N3CCC[C@@H](C4CC4)C3)[nH]c2c1 ZINC000341048500 386827496 /nfs/dbraw/zinc/82/74/96/386827496.db2.gz UANTXFFMFBDTEC-GFCCVEGCSA-N 1 2 241.338 3.189 20 0 BGADLO c1ccc2[nH+]c(N3CCC[C@H](C4CC4)C3)[nH]c2c1 ZINC000341048502 386827821 /nfs/dbraw/zinc/82/78/21/386827821.db2.gz UANTXFFMFBDTEC-LBPRGKRZSA-N 1 2 241.338 3.189 20 0 BGADLO CCC(CC)N(CC)c1cc[nH+]c(C2CC2)n1 ZINC000341053258 168373156 /nfs/dbraw/zinc/37/31/56/168373156.db2.gz XFUMXLIUHOZILZ-UHFFFAOYSA-N 1 2 233.359 3.369 20 0 BGADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2ccccc2C)n1 ZINC000341053968 386831253 /nfs/dbraw/zinc/83/12/53/386831253.db2.gz GUGAPZNDPURTKZ-GHMZBOCLSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2ccccc2C)n1 ZINC000341053969 386830336 /nfs/dbraw/zinc/83/03/36/386830336.db2.gz GUGAPZNDPURTKZ-MNOVXSKESA-N 1 2 245.326 3.098 20 0 BGADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000341053970 386831659 /nfs/dbraw/zinc/83/16/59/386831659.db2.gz GUGAPZNDPURTKZ-QWRGUYRKSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)n1 ZINC000341053971 386832122 /nfs/dbraw/zinc/83/21/22/386832122.db2.gz GUGAPZNDPURTKZ-WDEREUQCSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1cc(N2CCC(C)(CC(C)C)CC2)nc[nH+]1 ZINC000341058205 132226107 /nfs/dbraw/zinc/22/61/07/132226107.db2.gz VNWDZSMRYQLIMK-UHFFFAOYSA-N 1 2 247.386 3.438 20 0 BGADLO Cc1nc(N2CCC(C)(CC(C)C)CC2)cc[nH+]1 ZINC000341058801 132226065 /nfs/dbraw/zinc/22/60/65/132226065.db2.gz YKWHMTHPBJOFKS-UHFFFAOYSA-N 1 2 247.386 3.438 20 0 BGADLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2)o1 ZINC000341118161 172063171 /nfs/dbraw/zinc/06/31/71/172063171.db2.gz AXGOJOMBFVUKKE-GHMZBOCLSA-N 1 2 245.326 3.044 20 0 BGADLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2)o1 ZINC000341118162 172065889 /nfs/dbraw/zinc/06/58/89/172065889.db2.gz AXGOJOMBFVUKKE-MNOVXSKESA-N 1 2 245.326 3.044 20 0 BGADLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC000341118163 172065293 /nfs/dbraw/zinc/06/52/93/172065293.db2.gz AXGOJOMBFVUKKE-QWRGUYRKSA-N 1 2 245.326 3.044 20 0 BGADLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2)o1 ZINC000341118164 172064846 /nfs/dbraw/zinc/06/48/46/172064846.db2.gz AXGOJOMBFVUKKE-WDEREUQCSA-N 1 2 245.326 3.044 20 0 BGADLO Cc1c[nH+]c(CNc2cccc(C(C)C)c2)n1C ZINC000341125830 386843502 /nfs/dbraw/zinc/84/35/02/386843502.db2.gz SAWLMIIVVILTQH-UHFFFAOYSA-N 1 2 243.354 3.464 20 0 BGADLO CSc1cccc(NCc2[nH+]cc(C)n2C)c1 ZINC000341143684 386844974 /nfs/dbraw/zinc/84/49/74/386844974.db2.gz FYYHLBRIULXEFA-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO Cc1c[nH+]c(CNc2cc(Cl)ccc2C)n1C ZINC000341146181 386845841 /nfs/dbraw/zinc/84/58/41/386845841.db2.gz KKMZVAPFLFGEIV-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO CCCc1ccccc1NCc1[nH+]cc(C)n1C ZINC000341150122 386847289 /nfs/dbraw/zinc/84/72/89/386847289.db2.gz SWIGPVDUOZOICX-UHFFFAOYSA-N 1 2 243.354 3.293 20 0 BGADLO Cc1c[nH+]c(CNc2ccc(C(C)C)cc2)n1C ZINC000341155765 386848098 /nfs/dbraw/zinc/84/80/98/386848098.db2.gz ZSRRTXSIUHNPQA-UHFFFAOYSA-N 1 2 243.354 3.464 20 0 BGADLO Cc1c[nH+]c(CNc2ccc(C)c(Cl)c2)n1C ZINC000341158806 386847520 /nfs/dbraw/zinc/84/75/20/386847520.db2.gz XPRUONITBHDUAC-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO CSc1ccc(NCc2[nH+]cc(C)n2C)cc1 ZINC000341160146 386846952 /nfs/dbraw/zinc/84/69/52/386846952.db2.gz ZFPNLDYHDMJDSH-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1nc(C)no1)c1ccccc1 ZINC000341223118 386856810 /nfs/dbraw/zinc/85/68/10/386856810.db2.gz ZUPSIKFWQSFBNV-GWCFXTLKSA-N 1 2 245.326 3.180 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1nc(C)no1)c1ccccc1 ZINC000341223119 352695744 /nfs/dbraw/zinc/69/57/44/352695744.db2.gz ZUPSIKFWQSFBNV-GXFFZTMASA-N 1 2 245.326 3.180 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1nc(C)no1)c1ccccc1 ZINC000341223122 386856465 /nfs/dbraw/zinc/85/64/65/386856465.db2.gz ZUPSIKFWQSFBNV-MFKMUULPSA-N 1 2 245.326 3.180 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1nc(C)no1)c1ccccc1 ZINC000341223124 352696115 /nfs/dbraw/zinc/69/61/15/352696115.db2.gz ZUPSIKFWQSFBNV-ZWNOBZJWSA-N 1 2 245.326 3.180 20 0 BGADLO CSc1ccccc1NCc1[nH+]cc(C)n1C ZINC000341256757 386868475 /nfs/dbraw/zinc/86/84/75/386868475.db2.gz DXNVMKDGBWHICJ-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO Cc1c[nH+]c(CNc2ccccc2C(C)C)n1C ZINC000341256761 386867384 /nfs/dbraw/zinc/86/73/84/386867384.db2.gz FCBWYZIVGNCAOO-UHFFFAOYSA-N 1 2 243.354 3.464 20 0 BGADLO Cc1c[nH+]c(CNc2cc(C)ccc2Cl)n1C ZINC000341257705 386869674 /nfs/dbraw/zinc/86/96/74/386869674.db2.gz KPNOEVOTMYGMQE-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO CCc1nc(Nc2ccc(F)cc2)cc(C)[nH+]1 ZINC000341259029 352699638 /nfs/dbraw/zinc/69/96/38/352699638.db2.gz AMEDFUZDULUUNT-UHFFFAOYSA-N 1 2 231.274 3.230 20 0 BGADLO CC(C)c1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000341259494 388495620 /nfs/dbraw/zinc/49/56/20/388495620.db2.gz BSMPSIXEDVNPIG-UHFFFAOYSA-N 1 2 230.311 3.088 20 0 BGADLO CCc1ccc(NCc2[nH+]cc(C)n2C)cc1C ZINC000341274039 386875547 /nfs/dbraw/zinc/87/55/47/386875547.db2.gz DGCQUMXZHRZOAG-UHFFFAOYSA-N 1 2 243.354 3.211 20 0 BGADLO Cc1c[nH+]c(CNc2ccc(Cl)cc2C)n1C ZINC000341279416 178068580 /nfs/dbraw/zinc/06/85/80/178068580.db2.gz JNIPQGHYZRUBNP-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO Cc1c[nH+]c(CNc2ccc(C)cc2Cl)n1C ZINC000341279456 386877572 /nfs/dbraw/zinc/87/75/72/386877572.db2.gz JTNPUKWASNVRJS-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO Cc1c[nH+]c(CNc2cccc(Cl)c2C)n1C ZINC000341287641 386878837 /nfs/dbraw/zinc/87/88/37/386878837.db2.gz QVUSIEVCJSEFAD-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO CCc1ccc(NCc2[nH+]cc(C)n2C)cc1F ZINC000341289364 386863836 /nfs/dbraw/zinc/86/38/36/386863836.db2.gz QIQHCSLIMONPPM-UHFFFAOYSA-N 1 2 247.317 3.042 20 0 BGADLO Cc1c[nH+]c(CNc2c(C)cc(C)cc2C)n1C ZINC000341293046 386863941 /nfs/dbraw/zinc/86/39/41/386863941.db2.gz UIBVITOQRSJVJE-UHFFFAOYSA-N 1 2 243.354 3.266 20 0 BGADLO CCc1cc(NCc2[nH+]cc(C)n2C)ccc1C ZINC000341293048 386863026 /nfs/dbraw/zinc/86/30/26/386863026.db2.gz UIGDPHHGYSWHIP-UHFFFAOYSA-N 1 2 243.354 3.211 20 0 BGADLO CC(C)c1cc(NC2CCC2)nc(C(C)C)[nH+]1 ZINC000341298382 386889921 /nfs/dbraw/zinc/88/99/21/386889921.db2.gz IAQXSWZJLYJQLP-UHFFFAOYSA-N 1 2 233.359 3.110 20 0 BGADLO CC(C)c1cc(N(C)C2CC2)nc(C(C)C)[nH+]1 ZINC000341299814 386889883 /nfs/dbraw/zinc/88/98/83/386889883.db2.gz LHVFRXGZLJDXBN-UHFFFAOYSA-N 1 2 233.359 3.322 20 0 BGADLO Clc1cccc2c(N3CCCC3)cc[nH+]c12 ZINC000341302768 386889827 /nfs/dbraw/zinc/88/98/27/386889827.db2.gz RWEGEOXMDWDMTD-UHFFFAOYSA-N 1 2 232.714 3.488 20 0 BGADLO Cc1ccc(COCc2[nH]cc[nH+]2)c(Cl)c1 ZINC000341334366 386883920 /nfs/dbraw/zinc/88/39/20/386883920.db2.gz AAQGBXMSCISABO-UHFFFAOYSA-N 1 2 236.702 3.088 20 0 BGADLO c1c[nH+]c(COCc2ccc(C3CCC3)cc2)[nH]1 ZINC000341334733 183326854 /nfs/dbraw/zinc/32/68/54/183326854.db2.gz BEJJPHXZLGRTLX-UHFFFAOYSA-N 1 2 242.322 3.394 20 0 BGADLO C[C@@H]1CCC[C@@H](CCOCc2[nH]cc[nH+]2)C1 ZINC000341335049 176117998 /nfs/dbraw/zinc/11/79/98/176117998.db2.gz CITFPYBJFKTOBQ-NEPJUHHUSA-N 1 2 222.332 3.143 20 0 BGADLO C[C@H]1CCC[C@H](CCOCc2[nH]cc[nH+]2)C1 ZINC000341335051 177133637 /nfs/dbraw/zinc/13/36/37/177133637.db2.gz CITFPYBJFKTOBQ-NWDGAFQWSA-N 1 2 222.332 3.143 20 0 BGADLO C[C@H]1CCC[C@@H](CCOCc2[nH]cc[nH+]2)C1 ZINC000341335053 177119309 /nfs/dbraw/zinc/11/93/09/177119309.db2.gz CITFPYBJFKTOBQ-RYUDHWBXSA-N 1 2 222.332 3.143 20 0 BGADLO C[C@@H]1CCC[C@H](CCOCc2[nH]cc[nH+]2)C1 ZINC000341335055 176138125 /nfs/dbraw/zinc/13/81/25/176138125.db2.gz CITFPYBJFKTOBQ-VXGBXAGGSA-N 1 2 222.332 3.143 20 0 BGADLO CC(C)=CCOc1cccc(-n2cc[nH+]c2)c1 ZINC000341340058 386885220 /nfs/dbraw/zinc/88/52/20/386885220.db2.gz ONAFSDZHASDZAE-UHFFFAOYSA-N 1 2 228.295 3.217 20 0 BGADLO Clc1ccc(/C=C\COCc2[nH]cc[nH+]2)cc1 ZINC000341354691 346511208 /nfs/dbraw/zinc/51/12/08/346511208.db2.gz LHTRTJSKIDKCLN-UPHRSURJSA-N 1 2 248.713 3.293 20 0 BGADLO Cn1c[nH+]cc1COc1ccc(C2CCC2)cc1 ZINC000341358321 386893125 /nfs/dbraw/zinc/89/31/25/386893125.db2.gz DYTXRIDNSXVKNG-UHFFFAOYSA-N 1 2 242.322 3.267 20 0 BGADLO CC1(C)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000341363715 132226507 /nfs/dbraw/zinc/22/65/07/132226507.db2.gz HECOPZDBDHTKPT-UHFFFAOYSA-N 1 2 241.338 3.256 20 0 BGADLO Cc1c[nH+]c(CNc2ccc3ccoc3c2)n1C ZINC000341373329 386897365 /nfs/dbraw/zinc/89/73/65/386897365.db2.gz GRTCYJRSCISDAF-UHFFFAOYSA-N 1 2 241.294 3.087 20 0 BGADLO CCc1[nH+]c(C)ccc1OCC=C(C)C ZINC000341406540 171965326 /nfs/dbraw/zinc/96/53/26/171965326.db2.gz ZGGBEOPAPYCMIN-UHFFFAOYSA-N 1 2 205.301 3.297 20 0 BGADLO CCC[C@@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341447859 169366350 /nfs/dbraw/zinc/36/63/50/169366350.db2.gz BWFYBQPSLMEFBP-LLVKDONJSA-N 1 2 233.359 3.287 20 0 BGADLO CCC[C@H](C)N(C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341447861 386905560 /nfs/dbraw/zinc/90/55/60/386905560.db2.gz BWFYBQPSLMEFBP-NSHDSACASA-N 1 2 233.359 3.287 20 0 BGADLO CCC(C)(C)CCSCCn1cc[nH+]c1 ZINC000341456241 168278164 /nfs/dbraw/zinc/27/81/64/168278164.db2.gz ORKIWHDQPZDUQG-UHFFFAOYSA-N 1 2 226.389 3.443 20 0 BGADLO CC[C@@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000341465591 132226459 /nfs/dbraw/zinc/22/64/59/132226459.db2.gz AFGFHRLYEWDPNJ-CYBMUJFWSA-N 1 2 245.370 3.431 20 0 BGADLO CC[C@H]1CCCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000341465597 132226425 /nfs/dbraw/zinc/22/64/25/132226425.db2.gz AFGFHRLYEWDPNJ-ZDUSSCGKSA-N 1 2 245.370 3.431 20 0 BGADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)(C)C ZINC000341465671 386916597 /nfs/dbraw/zinc/91/65/97/386916597.db2.gz AMBUNABXHFKYFC-GFCCVEGCSA-N 1 2 247.386 3.321 20 0 BGADLO CC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C(C)(C)C ZINC000341465688 386917143 /nfs/dbraw/zinc/91/71/43/386917143.db2.gz AMBUNABXHFKYFC-LBPRGKRZSA-N 1 2 247.386 3.321 20 0 BGADLO Cc1cc(NCCC2CCCC2)nc(C2CC2)[nH+]1 ZINC000341466708 518186323 /nfs/dbraw/zinc/18/63/23/518186323.db2.gz ACDLAKMMBRGZLH-UHFFFAOYSA-N 1 2 245.370 3.077 20 0 BGADLO Cc1cc(N(C)CC2CCCC2)nc(C2CC2)[nH+]1 ZINC000341471334 178096235 /nfs/dbraw/zinc/09/62/35/178096235.db2.gz COJSVEMDIOHNIP-UHFFFAOYSA-N 1 2 245.370 3.289 20 0 BGADLO Cc1cc(NC2(C)CCCC2)nc(C2CC2)[nH+]1 ZINC000341473677 178153608 /nfs/dbraw/zinc/15/36/08/178153608.db2.gz ZMTFXRFFJPSYTF-UHFFFAOYSA-N 1 2 231.343 3.407 20 0 BGADLO Cc1cc(N(CC(C)C)C2CC2)nc(C2CC2)[nH+]1 ZINC000341478746 178101534 /nfs/dbraw/zinc/10/15/34/178101534.db2.gz GUUWKZWOLHDBEZ-UHFFFAOYSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N(C)CC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000341480782 178096126 /nfs/dbraw/zinc/09/61/26/178096126.db2.gz IIPXBLXUUCYJQD-UHFFFAOYSA-N 1 2 233.359 3.145 20 0 BGADLO Cc1cc(NCC2(C)CCCC2)nc(C2CC2)[nH+]1 ZINC000341482322 386911145 /nfs/dbraw/zinc/91/11/45/386911145.db2.gz IMDPCJGEHSQMDJ-UHFFFAOYSA-N 1 2 245.370 3.077 20 0 BGADLO Cc1cc(N(C)[C@H](C)C(C)C)nc(C2CC2)[nH+]1 ZINC000341482490 178100342 /nfs/dbraw/zinc/10/03/42/178100342.db2.gz IWWGENYTJHKJDU-LLVKDONJSA-N 1 2 233.359 3.143 20 0 BGADLO Cc1cc(N(C)[C@@H](C)C(C)C)nc(C2CC2)[nH+]1 ZINC000341482517 178100669 /nfs/dbraw/zinc/10/06/69/178100669.db2.gz IWWGENYTJHKJDU-NSHDSACASA-N 1 2 233.359 3.143 20 0 BGADLO Cc1cc(NC2CCC(C)CC2)nc(C2CC2)[nH+]1 ZINC000341483677 386912419 /nfs/dbraw/zinc/91/24/19/386912419.db2.gz MWMVGHGGCPKXGB-UHFFFAOYSA-N 1 2 245.370 3.075 20 0 BGADLO CC[C@@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000341489913 352709650 /nfs/dbraw/zinc/70/96/50/352709650.db2.gz CCNZJRSTFSASAV-GFCCVEGCSA-N 1 2 231.343 3.041 20 0 BGADLO CC[C@H]1CCCN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000341489915 386912570 /nfs/dbraw/zinc/91/25/70/386912570.db2.gz CCNZJRSTFSASAV-LBPRGKRZSA-N 1 2 231.343 3.041 20 0 BGADLO CCN(CC(C)C)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341496319 386911933 /nfs/dbraw/zinc/91/19/33/386911933.db2.gz KHAZBEXEOGTZCA-UHFFFAOYSA-N 1 2 233.359 3.145 20 0 BGADLO Cc1cc(N[C@H]2CCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341502619 177709772 /nfs/dbraw/zinc/70/97/72/177709772.db2.gz OHLDIMSXXWPHMB-GWCFXTLKSA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N[C@@H]2CCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341502622 386914342 /nfs/dbraw/zinc/91/43/42/386914342.db2.gz OHLDIMSXXWPHMB-GXFFZTMASA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N[C@H]2CCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341502629 386914286 /nfs/dbraw/zinc/91/42/86/386914286.db2.gz OHLDIMSXXWPHMB-MFKMUULPSA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N[C@@H]2CCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000341502633 177709672 /nfs/dbraw/zinc/70/96/72/177709672.db2.gz OHLDIMSXXWPHMB-ZWNOBZJWSA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N[C@H](C)CCC(C)C)nc(C2CC2)[nH+]1 ZINC000341502748 386914653 /nfs/dbraw/zinc/91/46/53/386914653.db2.gz PGRZIEJLVZLYHV-LLVKDONJSA-N 1 2 247.386 3.321 20 0 BGADLO Cc1cc(N[C@@H](C)CCC(C)C)nc(C2CC2)[nH+]1 ZINC000341502751 386914152 /nfs/dbraw/zinc/91/41/52/386914152.db2.gz PGRZIEJLVZLYHV-NSHDSACASA-N 1 2 247.386 3.321 20 0 BGADLO Cc1cc(N2CCCCC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000341503134 178113214 /nfs/dbraw/zinc/11/32/14/178113214.db2.gz PLTFNBVJWKVMQH-GFCCVEGCSA-N 1 2 245.370 3.431 20 0 BGADLO Cc1cc(N2CCCCC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000341503143 178112027 /nfs/dbraw/zinc/11/20/27/178112027.db2.gz PLTFNBVJWKVMQH-LBPRGKRZSA-N 1 2 245.370 3.431 20 0 BGADLO Cc1cc(N2CCC[C@@H](C)CC2)nc(C2CC2)[nH+]1 ZINC000341504061 178114557 /nfs/dbraw/zinc/11/45/57/178114557.db2.gz QLMDDMUTZQYYBE-LLVKDONJSA-N 1 2 245.370 3.289 20 0 BGADLO Cc1cc(N2CCC[C@H](C)CC2)nc(C2CC2)[nH+]1 ZINC000341504063 178115868 /nfs/dbraw/zinc/11/58/68/178115868.db2.gz QLMDDMUTZQYYBE-NSHDSACASA-N 1 2 245.370 3.289 20 0 BGADLO CC[C@@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000341505989 132226517 /nfs/dbraw/zinc/22/65/17/132226517.db2.gz UBEWRZUXJLALFV-GFCCVEGCSA-N 1 2 245.370 3.289 20 0 BGADLO CC[C@H]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000341505990 132226309 /nfs/dbraw/zinc/22/63/09/132226309.db2.gz UBEWRZUXJLALFV-LBPRGKRZSA-N 1 2 245.370 3.289 20 0 BGADLO CCCCN(CC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341507708 386914449 /nfs/dbraw/zinc/91/44/49/386914449.db2.gz VSBVQWIBOAPTKT-UHFFFAOYSA-N 1 2 233.359 3.289 20 0 BGADLO Cc1cc(N2CCC[C@@H]2C(C)C)nc(C2CC2)[nH+]1 ZINC000341511510 178115164 /nfs/dbraw/zinc/11/51/64/178115164.db2.gz IGNPJBGRNOMPKL-CYBMUJFWSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2CCC[C@H]2C(C)C)nc(C2CC2)[nH+]1 ZINC000341511512 178116042 /nfs/dbraw/zinc/11/60/42/178116042.db2.gz IGNPJBGRNOMPKL-ZDUSSCGKSA-N 1 2 245.370 3.287 20 0 BGADLO CCCN(CCC)c1cc(C)[nH+]c(C2CC2)n1 ZINC000341512855 169153006 /nfs/dbraw/zinc/15/30/06/169153006.db2.gz JTKGLKCACYQCIT-UHFFFAOYSA-N 1 2 233.359 3.289 20 0 BGADLO CCC[C@@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000341514184 169375651 /nfs/dbraw/zinc/37/56/51/169375651.db2.gz VQNSPVLFIFITLV-GFCCVEGCSA-N 1 2 233.359 3.075 20 0 BGADLO CCC[C@H](CC)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000341514186 386914968 /nfs/dbraw/zinc/91/49/68/386914968.db2.gz VQNSPVLFIFITLV-LBPRGKRZSA-N 1 2 233.359 3.075 20 0 BGADLO Cc1cccc(Nc2cc(C)[nH+]c(C3CC3)n2)c1 ZINC000341514842 188044849 /nfs/dbraw/zinc/04/48/49/188044849.db2.gz WICCOGDIXJJINL-UHFFFAOYSA-N 1 2 239.322 3.136 20 0 BGADLO CCC1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000341517357 132226463 /nfs/dbraw/zinc/22/64/63/132226463.db2.gz ZZFASWZHRGZWSL-UHFFFAOYSA-N 1 2 245.370 3.289 20 0 BGADLO Cc1cc(N2CC(C)(C)CC(C)(C)C2)nc[nH+]1 ZINC000341552574 132226296 /nfs/dbraw/zinc/22/62/96/132226296.db2.gz VANZVJRZQVBQTQ-UHFFFAOYSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1nc(N2CC(C)(C)CC(C)(C)C2)cc[nH+]1 ZINC000341562119 132226236 /nfs/dbraw/zinc/22/62/36/132226236.db2.gz SMLJOQRXVKXDFC-UHFFFAOYSA-N 1 2 233.359 3.048 20 0 BGADLO Fc1ccc(NCc2[nH]cc[nH+]2)cc1C1CC1 ZINC000341566611 386918342 /nfs/dbraw/zinc/91/83/42/386918342.db2.gz YFVBIKUQEFBNER-UHFFFAOYSA-N 1 2 231.274 3.038 20 0 BGADLO Cc1cc[nH+]c(NCc2cccc(O)c2)c1Cl ZINC000341597719 386931171 /nfs/dbraw/zinc/93/11/71/386931171.db2.gz YQRZLAHIBWVWDP-UHFFFAOYSA-N 1 2 248.713 3.361 20 0 BGADLO CCC[N@@H+](CC(F)F)C1CC(OC(C)(C)C)C1 ZINC000341667024 636295807 /nfs/dbraw/zinc/29/58/07/636295807.db2.gz RFDGVZBWYGWWRE-UHFFFAOYSA-N 1 2 249.345 3.310 20 0 BGADLO CCC[N@H+](CC(F)F)C1CC(OC(C)(C)C)C1 ZINC000341667024 636295797 /nfs/dbraw/zinc/29/57/97/636295797.db2.gz RFDGVZBWYGWWRE-UHFFFAOYSA-N 1 2 249.345 3.310 20 0 BGADLO FC(F)C[N@@H+](CCC(F)(F)F)CC1CCC1 ZINC000341754711 386961109 /nfs/dbraw/zinc/96/11/09/386961109.db2.gz SOXWKPSBFUPRBV-UHFFFAOYSA-N 1 2 245.235 3.306 20 0 BGADLO FC(F)C[N@H+](CCC(F)(F)F)CC1CCC1 ZINC000341754711 386961106 /nfs/dbraw/zinc/96/11/06/386961106.db2.gz SOXWKPSBFUPRBV-UHFFFAOYSA-N 1 2 245.235 3.306 20 0 BGADLO CCSCC[N@@H+](CC(F)F)CC1CCC1 ZINC000341757892 386960334 /nfs/dbraw/zinc/96/03/34/386960334.db2.gz WRWZSSZCXZTIDK-UHFFFAOYSA-N 1 2 237.359 3.107 20 0 BGADLO CCSCC[N@H+](CC(F)F)CC1CCC1 ZINC000341757892 386960328 /nfs/dbraw/zinc/96/03/28/386960328.db2.gz WRWZSSZCXZTIDK-UHFFFAOYSA-N 1 2 237.359 3.107 20 0 BGADLO CCCCOCC[N@@H+](CC(F)F)CC1CCC1 ZINC000341760034 386961397 /nfs/dbraw/zinc/96/13/97/386961397.db2.gz GOUCRMZVCCOSOD-UHFFFAOYSA-N 1 2 249.345 3.170 20 0 BGADLO CCCCOCC[N@H+](CC(F)F)CC1CCC1 ZINC000341760034 386961395 /nfs/dbraw/zinc/96/13/95/386961395.db2.gz GOUCRMZVCCOSOD-UHFFFAOYSA-N 1 2 249.345 3.170 20 0 BGADLO CC(C)(C)OCC[N@@H+](CC(F)F)CC1CCC1 ZINC000341761955 386963640 /nfs/dbraw/zinc/96/36/40/386963640.db2.gz KRDBFQQQSWFFLL-UHFFFAOYSA-N 1 2 249.345 3.169 20 0 BGADLO CC(C)(C)OCC[N@H+](CC(F)F)CC1CCC1 ZINC000341761955 386963633 /nfs/dbraw/zinc/96/36/33/386963633.db2.gz KRDBFQQQSWFFLL-UHFFFAOYSA-N 1 2 249.345 3.169 20 0 BGADLO CCn1cc[nH+]c1CN(C)c1cc(C)ccc1C ZINC000341806917 172218835 /nfs/dbraw/zinc/21/88/35/172218835.db2.gz HRWKEMLIMZUIKH-UHFFFAOYSA-N 1 2 243.354 3.156 20 0 BGADLO Clc1ccc(C2([NH2+]Cc3ccon3)CC2)cc1 ZINC000341878634 386982291 /nfs/dbraw/zinc/98/22/91/386982291.db2.gz RQGIIWZZMQAEJJ-UHFFFAOYSA-N 1 2 248.713 3.107 20 0 BGADLO C/C=C\CSCCc1[nH+]c2ccccc2n1C ZINC000341905349 188218068 /nfs/dbraw/zinc/21/80/68/188218068.db2.gz WTVQQLWAUYUHDJ-ARJAWSKDSA-N 1 2 246.379 3.425 20 0 BGADLO CC(C)n1cc[nH+]c1CSCc1cccnc1 ZINC000341920541 386993086 /nfs/dbraw/zinc/99/30/86/386993086.db2.gz CUENVWBRFCAPNO-UHFFFAOYSA-N 1 2 247.367 3.292 20 0 BGADLO COc1cc[nH+]cc1CSCCC(C)C ZINC000341956497 175373759 /nfs/dbraw/zinc/37/37/59/175373759.db2.gz NMSSAFACIQVOFU-UHFFFAOYSA-N 1 2 225.357 3.370 20 0 BGADLO CCCSCCc1[nH+]c2ccccc2n1C ZINC000341965992 169339187 /nfs/dbraw/zinc/33/91/87/169339187.db2.gz XSCXEKWJHWPOOU-UHFFFAOYSA-N 1 2 234.368 3.259 20 0 BGADLO CC(C)[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000341983144 167028986 /nfs/dbraw/zinc/02/89/86/167028986.db2.gz BRNLPOZRSVOCJZ-CYBMUJFWSA-N 1 2 243.272 3.244 20 0 BGADLO CC(C)[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000341983144 167028984 /nfs/dbraw/zinc/02/89/84/167028984.db2.gz BRNLPOZRSVOCJZ-CYBMUJFWSA-N 1 2 243.272 3.244 20 0 BGADLO CC(C)[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000341983145 411504009 /nfs/dbraw/zinc/50/40/09/411504009.db2.gz BRNLPOZRSVOCJZ-ZDUSSCGKSA-N 1 2 243.272 3.244 20 0 BGADLO CC(C)[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000341983145 411504004 /nfs/dbraw/zinc/50/40/04/411504004.db2.gz BRNLPOZRSVOCJZ-ZDUSSCGKSA-N 1 2 243.272 3.244 20 0 BGADLO CC[C@H](F)CSCc1c[nH+]ccc1OC ZINC000342000366 566391717 /nfs/dbraw/zinc/39/17/17/566391717.db2.gz PCHIKEDLGHLGJI-JTQLQIEISA-N 1 2 229.320 3.072 20 0 BGADLO CC[C@@H](F)CSCc1c[nH+]ccc1OC ZINC000342000370 566391583 /nfs/dbraw/zinc/39/15/83/566391583.db2.gz PCHIKEDLGHLGJI-SNVBAGLBSA-N 1 2 229.320 3.072 20 0 BGADLO COc1cc[nH+]cc1CSCCC1CC1 ZINC000342000612 175372763 /nfs/dbraw/zinc/37/27/63/175372763.db2.gz PSBYSYVOJMHTMN-UHFFFAOYSA-N 1 2 223.341 3.124 20 0 BGADLO COc1cc[nH+]cc1CSCCCCF ZINC000342016489 175373064 /nfs/dbraw/zinc/37/30/64/175373064.db2.gz GGSYYJFDWHAQIH-UHFFFAOYSA-N 1 2 229.320 3.073 20 0 BGADLO COc1cc[nH+]cc1CSCCCSC ZINC000342067621 175373720 /nfs/dbraw/zinc/37/37/20/175373720.db2.gz WNCFWJCPQYQAFF-UHFFFAOYSA-N 1 2 243.397 3.077 20 0 BGADLO C[C@H]1CC[N@@H+](CCCCCF)CC1(F)F ZINC000342140002 177160767 /nfs/dbraw/zinc/16/07/67/177160767.db2.gz YLXFUQJUKHFATG-JTQLQIEISA-N 1 2 223.282 3.103 20 0 BGADLO C[C@H]1CC[N@H+](CCCCCF)CC1(F)F ZINC000342140002 177160766 /nfs/dbraw/zinc/16/07/66/177160766.db2.gz YLXFUQJUKHFATG-JTQLQIEISA-N 1 2 223.282 3.103 20 0 BGADLO C[C@@H]1CC[N@@H+](CCCCCF)CC1(F)F ZINC000342140003 176168334 /nfs/dbraw/zinc/16/83/34/176168334.db2.gz YLXFUQJUKHFATG-SNVBAGLBSA-N 1 2 223.282 3.103 20 0 BGADLO C[C@@H]1CC[N@H+](CCCCCF)CC1(F)F ZINC000342140003 176168333 /nfs/dbraw/zinc/16/83/33/176168333.db2.gz YLXFUQJUKHFATG-SNVBAGLBSA-N 1 2 223.282 3.103 20 0 BGADLO FCCCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000342166008 385950951 /nfs/dbraw/zinc/95/09/51/385950951.db2.gz LULYKGLUEZVORV-JTQLQIEISA-N 1 2 223.282 3.246 20 0 BGADLO FCCCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000342166008 385950947 /nfs/dbraw/zinc/95/09/47/385950947.db2.gz LULYKGLUEZVORV-JTQLQIEISA-N 1 2 223.282 3.246 20 0 BGADLO FCCCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000342166009 385948980 /nfs/dbraw/zinc/94/89/80/385948980.db2.gz LULYKGLUEZVORV-SNVBAGLBSA-N 1 2 223.282 3.246 20 0 BGADLO FCCCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000342166009 385948963 /nfs/dbraw/zinc/94/89/63/385948963.db2.gz LULYKGLUEZVORV-SNVBAGLBSA-N 1 2 223.282 3.246 20 0 BGADLO CC/C=C\CC[N@@H+](CC(F)F)C1CC1 ZINC000342203653 352740978 /nfs/dbraw/zinc/74/09/78/352740978.db2.gz DMZCOWVFYVWUEH-ARJAWSKDSA-N 1 2 203.276 3.072 20 0 BGADLO CC/C=C\CC[N@H+](CC(F)F)C1CC1 ZINC000342203653 352740973 /nfs/dbraw/zinc/74/09/73/352740973.db2.gz DMZCOWVFYVWUEH-ARJAWSKDSA-N 1 2 203.276 3.072 20 0 BGADLO CC[C@@H]1CCCC[C@H]1N(C)c1cc[nH+]c(C)n1 ZINC000342216463 352740626 /nfs/dbraw/zinc/74/06/26/352740626.db2.gz FTBAGPMIZQIAEX-CHWSQXEVSA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@@H]1CCCC[C@@H]1N(C)c1cc[nH+]c(C)n1 ZINC000342216464 352740606 /nfs/dbraw/zinc/74/06/06/352740606.db2.gz FTBAGPMIZQIAEX-OLZOCXBDSA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@H]1CCCC[C@H]1N(C)c1cc[nH+]c(C)n1 ZINC000342216465 385960477 /nfs/dbraw/zinc/96/04/77/385960477.db2.gz FTBAGPMIZQIAEX-QWHCGFSZSA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@H]1CCCC[C@@H]1N(C)c1cc[nH+]c(C)n1 ZINC000342216467 187356299 /nfs/dbraw/zinc/35/62/99/187356299.db2.gz FTBAGPMIZQIAEX-STQMWFEESA-N 1 2 233.359 3.190 20 0 BGADLO Cc1cc(N2[C@H](C)CC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000342217955 178122335 /nfs/dbraw/zinc/12/23/35/178122335.db2.gz PKYITDASOQZLHU-GHMZBOCLSA-N 1 2 231.343 3.040 20 0 BGADLO Cc1cc(N2[C@H](C)CC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000342217956 178122150 /nfs/dbraw/zinc/12/21/50/178122150.db2.gz PKYITDASOQZLHU-PHIMTYICSA-N 1 2 231.343 3.040 20 0 BGADLO Cc1cc(N2[C@@H](C)CC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000342217957 178122520 /nfs/dbraw/zinc/12/25/20/178122520.db2.gz PKYITDASOQZLHU-QWRGUYRKSA-N 1 2 231.343 3.040 20 0 BGADLO C/C=C\c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000342272412 135260619 /nfs/dbraw/zinc/26/06/19/135260619.db2.gz FCDLTHAPXGDQES-ARJAWSKDSA-N 1 2 227.311 3.065 20 0 BGADLO C/C=C/c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000342272950 533457187 /nfs/dbraw/zinc/45/71/87/533457187.db2.gz FCDLTHAPXGDQES-ONEGZZNKSA-N 1 2 227.311 3.065 20 0 BGADLO C/C=C\c1ccc(NCc2[nH+]cc(C)n2C)cc1 ZINC000342304790 135257776 /nfs/dbraw/zinc/25/77/76/135257776.db2.gz PTFJZHYQUJZUNI-PLNGDYQASA-N 1 2 241.338 3.374 20 0 BGADLO C/C=C/c1ccc(NCc2[nH+]cc(C)n2C)cc1 ZINC000342304791 533456175 /nfs/dbraw/zinc/45/61/75/533456175.db2.gz PTFJZHYQUJZUNI-SNAWJCMRSA-N 1 2 241.338 3.374 20 0 BGADLO C/C=C\c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000342306081 135258374 /nfs/dbraw/zinc/25/83/74/135258374.db2.gz QENXUSOSESHYEB-ARJAWSKDSA-N 1 2 227.311 3.065 20 0 BGADLO C/C=C/c1ccc(NCc2c[nH+]cn2C)cc1 ZINC000342306082 533456724 /nfs/dbraw/zinc/45/67/24/533456724.db2.gz QENXUSOSESHYEB-ONEGZZNKSA-N 1 2 227.311 3.065 20 0 BGADLO CO[C@H](C)[C@@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000342452263 135275439 /nfs/dbraw/zinc/27/54/39/135275439.db2.gz CSHFELYXBLQOIU-NXEZZACHSA-N 1 2 248.301 3.209 20 0 BGADLO CO[C@@H](C)[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000342452265 135275588 /nfs/dbraw/zinc/27/55/88/135275588.db2.gz CSHFELYXBLQOIU-UWVGGRQHSA-N 1 2 248.301 3.209 20 0 BGADLO CO[C@H](C)[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000342452269 536879502 /nfs/dbraw/zinc/87/95/02/536879502.db2.gz CSHFELYXBLQOIU-VHSXEESVSA-N 1 2 248.301 3.209 20 0 BGADLO CO[C@@H](C)[C@@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000342452272 135275638 /nfs/dbraw/zinc/27/56/38/135275638.db2.gz CSHFELYXBLQOIU-ZJUUUORDSA-N 1 2 248.301 3.209 20 0 BGADLO CCC(C)(C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000342566401 135289429 /nfs/dbraw/zinc/28/94/29/135289429.db2.gz GICRAZPJWFZFEA-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO CC(=O)[C@@H](C)SCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000342646983 135300053 /nfs/dbraw/zinc/30/00/53/135300053.db2.gz DNCKEIMXVMYYON-SECBINFHSA-N 1 2 248.351 3.082 20 0 BGADLO CC(=O)[C@@H](C)SCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000342646983 135300051 /nfs/dbraw/zinc/30/00/51/135300051.db2.gz DNCKEIMXVMYYON-SECBINFHSA-N 1 2 248.351 3.082 20 0 BGADLO CC(=O)[C@H](C)SCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000342646985 534793455 /nfs/dbraw/zinc/79/34/55/534793455.db2.gz DNCKEIMXVMYYON-VIFPVBQESA-N 1 2 248.351 3.082 20 0 BGADLO CC(=O)[C@H](C)SCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000342646985 534793449 /nfs/dbraw/zinc/79/34/49/534793449.db2.gz DNCKEIMXVMYYON-VIFPVBQESA-N 1 2 248.351 3.082 20 0 BGADLO CC(C)[C@H]1CCCN1c1[nH+]c2ccccc2n1C ZINC000342702463 535183880 /nfs/dbraw/zinc/18/38/80/535183880.db2.gz DOBOPXLKVDKHLY-CYBMUJFWSA-N 1 2 243.354 3.198 20 0 BGADLO CC(C)[C@@H]1CCCN1c1[nH+]c2ccccc2n1C ZINC000342702466 135308520 /nfs/dbraw/zinc/30/85/20/135308520.db2.gz DOBOPXLKVDKHLY-ZDUSSCGKSA-N 1 2 243.354 3.198 20 0 BGADLO CC(C)[C@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000342705568 535183195 /nfs/dbraw/zinc/18/31/95/535183195.db2.gz PNFRABWTHGZZRN-CYBMUJFWSA-N 1 2 229.327 3.188 20 0 BGADLO CC(C)[C@@H]1CCCN1c1[nH]c2ccccc2[nH+]1 ZINC000342705569 135311912 /nfs/dbraw/zinc/31/19/12/135311912.db2.gz PNFRABWTHGZZRN-ZDUSSCGKSA-N 1 2 229.327 3.188 20 0 BGADLO Cn1c2ccccc2[nH+]c1N1Cc2ccccc2C1 ZINC000342707054 135312672 /nfs/dbraw/zinc/31/26/72/135312672.db2.gz DELRQZBGYIFQKT-UHFFFAOYSA-N 1 2 249.317 3.094 20 0 BGADLO Cn1c2ccccc2[nH+]c1N1CCC(C)(C)CC1 ZINC000342709246 135312631 /nfs/dbraw/zinc/31/26/31/135312631.db2.gz LSVYLUIZERCIGP-UHFFFAOYSA-N 1 2 243.354 3.200 20 0 BGADLO CC1(C)CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000342709251 135313043 /nfs/dbraw/zinc/31/30/43/135313043.db2.gz LVNDTXKNZKYFOW-UHFFFAOYSA-N 1 2 229.327 3.189 20 0 BGADLO Cn1c2ccccc2[nH+]c1N1CCCC(C)(C)C1 ZINC000342710037 135312883 /nfs/dbraw/zinc/31/28/83/135312883.db2.gz NNNHQKYNOHEVHX-UHFFFAOYSA-N 1 2 243.354 3.200 20 0 BGADLO CC1(C)CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000342722740 135314546 /nfs/dbraw/zinc/31/45/46/135314546.db2.gz AWMKQFGJTOOIRY-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO CC1(C)CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000342722740 135314545 /nfs/dbraw/zinc/31/45/45/135314545.db2.gz AWMKQFGJTOOIRY-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO C[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000342725669 135315997 /nfs/dbraw/zinc/31/59/97/135315997.db2.gz ICTDUIYATNMLNY-GFCCVEGCSA-N 1 2 243.354 3.200 20 0 BGADLO C[C@H]1CCCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000342725673 135315880 /nfs/dbraw/zinc/31/58/80/135315880.db2.gz ICTDUIYATNMLNY-LBPRGKRZSA-N 1 2 243.354 3.200 20 0 BGADLO C[N@@H+](Cc1ccco1)Cc1nc(C2CC2)cs1 ZINC000342736099 135317544 /nfs/dbraw/zinc/31/75/44/135317544.db2.gz MFNMYLPBGMFKOX-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@H+](Cc1ccco1)Cc1nc(C2CC2)cs1 ZINC000342736099 135317543 /nfs/dbraw/zinc/31/75/43/135317543.db2.gz MFNMYLPBGMFKOX-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO CCC1CC(Nc2ccc(N3CCCC3)c[nH+]2)C1 ZINC000342738304 135309452 /nfs/dbraw/zinc/30/94/52/135309452.db2.gz RVLFOHUMMWWGMU-UHFFFAOYSA-N 1 2 245.370 3.282 20 0 BGADLO C[N@@H+](Cc1ccoc1)Cc1nc(C2CC2)cs1 ZINC000342761557 135325950 /nfs/dbraw/zinc/32/59/50/135325950.db2.gz XLXOEHOBOPFBPL-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@H+](Cc1ccoc1)Cc1nc(C2CC2)cs1 ZINC000342761557 135325948 /nfs/dbraw/zinc/32/59/48/135325948.db2.gz XLXOEHOBOPFBPL-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO CCN(Cc1[nH+]cc(C)n1C)c1ccccc1C ZINC000342772134 135327917 /nfs/dbraw/zinc/32/79/17/135327917.db2.gz DKGKTFVNFWVXSI-UHFFFAOYSA-N 1 2 243.354 3.063 20 0 BGADLO Cc1ccc(NC(=O)CC2CC(C)(C)C2)c(C)[nH+]1 ZINC000342778184 135317807 /nfs/dbraw/zinc/31/78/07/135317807.db2.gz KLRPDVAOJOKYFC-UHFFFAOYSA-N 1 2 246.354 3.463 20 0 BGADLO Clc1cccc2c(N[C@@H]3CCOC3)cc[nH+]c12 ZINC000342786241 135318941 /nfs/dbraw/zinc/31/89/41/135318941.db2.gz ULXJSWJYHAPPON-SECBINFHSA-N 1 2 248.713 3.089 20 0 BGADLO Clc1cccc2c(N[C@H]3CCOC3)cc[nH+]c12 ZINC000342786242 135318189 /nfs/dbraw/zinc/31/81/89/135318189.db2.gz ULXJSWJYHAPPON-VIFPVBQESA-N 1 2 248.713 3.089 20 0 BGADLO CC[C@@]1(C)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000342801064 536051636 /nfs/dbraw/zinc/05/16/36/536051636.db2.gz WGFFTZUVSWSPTG-AWEZNQCLSA-N 1 2 229.327 3.189 20 0 BGADLO CC[C@]1(C)CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000342801065 135321736 /nfs/dbraw/zinc/32/17/36/135321736.db2.gz WGFFTZUVSWSPTG-CQSZACIVSA-N 1 2 229.327 3.189 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1c(C)cccc1C ZINC000342803000 135321839 /nfs/dbraw/zinc/32/18/39/135321839.db2.gz SSDUAPOCDQKHAK-CYBMUJFWSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000342803001 135321934 /nfs/dbraw/zinc/32/19/34/135321934.db2.gz SSDUAPOCDQKHAK-ZDUSSCGKSA-N 1 2 243.354 3.186 20 0 BGADLO CCCN(CC)c1cc(C(F)(F)F)cc[nH+]1 ZINC000342826511 352826300 /nfs/dbraw/zinc/82/63/00/352826300.db2.gz UUVLBOQDAXPRKX-UHFFFAOYSA-N 1 2 232.249 3.337 20 0 BGADLO Cc1ccn(-c2ccc([NH2+]C[C@@H]3C[C@@H]3C)cc2)n1 ZINC000342846915 352873376 /nfs/dbraw/zinc/87/33/76/352873376.db2.gz HOBFZTRQCQDAGV-AAEUAGOBSA-N 1 2 241.338 3.249 20 0 BGADLO Cc1ccn(-c2ccc([NH2+]C[C@H]3C[C@H]3C)cc2)n1 ZINC000342846916 352873503 /nfs/dbraw/zinc/87/35/03/352873503.db2.gz HOBFZTRQCQDAGV-DGCLKSJQSA-N 1 2 241.338 3.249 20 0 BGADLO Cc1ccn(-c2ccc([NH2+]C[C@H]3C[C@@H]3C)cc2)n1 ZINC000342846917 133601706 /nfs/dbraw/zinc/60/17/06/133601706.db2.gz HOBFZTRQCQDAGV-WCQYABFASA-N 1 2 241.338 3.249 20 0 BGADLO Cc1ccn(-c2ccc([NH2+]C[C@@H]3C[C@H]3C)cc2)n1 ZINC000342846918 352873347 /nfs/dbraw/zinc/87/33/47/352873347.db2.gz HOBFZTRQCQDAGV-YPMHNXCESA-N 1 2 241.338 3.249 20 0 BGADLO CCc1nc(N2[C@H](C)CC[C@@H]2CC)cc(C)[nH+]1 ZINC000342939777 536126895 /nfs/dbraw/zinc/12/68/95/536126895.db2.gz QDNRGAWQFYQFSC-NEPJUHHUSA-N 1 2 233.359 3.115 20 0 BGADLO CCc1nc(N2[C@H](CC)CC[C@@H]2C)cc(C)[nH+]1 ZINC000342939778 536126875 /nfs/dbraw/zinc/12/68/75/536126875.db2.gz QDNRGAWQFYQFSC-NWDGAFQWSA-N 1 2 233.359 3.115 20 0 BGADLO CCc1nc(N2[C@@H](C)CC[C@@H]2CC)cc(C)[nH+]1 ZINC000342939779 536126865 /nfs/dbraw/zinc/12/68/65/536126865.db2.gz QDNRGAWQFYQFSC-RYUDHWBXSA-N 1 2 233.359 3.115 20 0 BGADLO CCc1nc(N2[C@H](C)CC[C@H]2CC)cc(C)[nH+]1 ZINC000342939780 536126136 /nfs/dbraw/zinc/12/61/36/536126136.db2.gz QDNRGAWQFYQFSC-VXGBXAGGSA-N 1 2 233.359 3.115 20 0 BGADLO c1cn(-c2cccc(OCC3CCCC3)c2)c[nH+]1 ZINC000343018388 135345276 /nfs/dbraw/zinc/34/52/76/135345276.db2.gz VMIMQHDEQRTROJ-UHFFFAOYSA-N 1 2 242.322 3.441 20 0 BGADLO CCN(c1[nH+]c(C)nc2[nH]ccc21)C1CCCC1 ZINC000343147664 135361716 /nfs/dbraw/zinc/36/17/16/135361716.db2.gz INPOGMCLBVDXCP-UHFFFAOYSA-N 1 2 244.342 3.035 20 0 BGADLO CCN(c1cc(C)[nH+]c(C2CC2)n1)C1CCCC1 ZINC000343153244 535406600 /nfs/dbraw/zinc/40/66/00/535406600.db2.gz YTGRBSULSWKNBF-UHFFFAOYSA-N 1 2 245.370 3.431 20 0 BGADLO CCN(c1cc[nH+]c(C(C)C)n1)C1CCCC1 ZINC000343153575 135366242 /nfs/dbraw/zinc/36/62/42/135366242.db2.gz CZQXYXIJWYZLOW-UHFFFAOYSA-N 1 2 233.359 3.369 20 0 BGADLO Cc1cc(N[C@H](C)c2ccc(Cl)cn2)nc[nH+]1 ZINC000343233395 386516304 /nfs/dbraw/zinc/51/63/04/386516304.db2.gz IVFGBYHQTKKQQA-SECBINFHSA-N 1 2 248.717 3.007 20 0 BGADLO Cc1cc(N[C@@H](C)c2ccc(Cl)cn2)nc[nH+]1 ZINC000343233398 386516270 /nfs/dbraw/zinc/51/62/70/386516270.db2.gz IVFGBYHQTKKQQA-VIFPVBQESA-N 1 2 248.717 3.007 20 0 BGADLO Cc1cc(N2CC(C3CCC3)C2)nc(C(C)C)[nH+]1 ZINC000343285344 353349084 /nfs/dbraw/zinc/34/90/84/353349084.db2.gz LGKNMVLIANYAQY-UHFFFAOYSA-N 1 2 245.370 3.145 20 0 BGADLO OCCC[N@@H+](CC1CCCC1)c1ccccc1 ZINC000343318605 353667467 /nfs/dbraw/zinc/66/74/67/353667467.db2.gz YOGMZVSBLVXBHT-UHFFFAOYSA-N 1 2 233.355 3.066 20 0 BGADLO OCCC[N@H+](CC1CCCC1)c1ccccc1 ZINC000343318605 353667465 /nfs/dbraw/zinc/66/74/65/353667465.db2.gz YOGMZVSBLVXBHT-UHFFFAOYSA-N 1 2 233.355 3.066 20 0 BGADLO C[C@@H]1CC[C@@H](Nc2ccc(N3CCCC3)c[nH+]2)C1 ZINC000343362929 353872175 /nfs/dbraw/zinc/87/21/75/353872175.db2.gz BXGHEXGQZRCJKI-CHWSQXEVSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H]1CC[C@H](Nc2ccc(N3CCCC3)c[nH+]2)C1 ZINC000343362932 353872310 /nfs/dbraw/zinc/87/23/10/353872310.db2.gz BXGHEXGQZRCJKI-OLZOCXBDSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H]1CC[C@@H](Nc2ccc(N3CCCC3)c[nH+]2)C1 ZINC000343362933 353872566 /nfs/dbraw/zinc/87/25/66/353872566.db2.gz BXGHEXGQZRCJKI-QWHCGFSZSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H]1CC[C@H](Nc2ccc(N3CCCC3)c[nH+]2)C1 ZINC000343362935 353872494 /nfs/dbraw/zinc/87/24/94/353872494.db2.gz BXGHEXGQZRCJKI-STQMWFEESA-N 1 2 245.370 3.282 20 0 BGADLO CC(C)(C)CNc1ccc(N2CCCC2)c[nH+]1 ZINC000343374077 353873502 /nfs/dbraw/zinc/87/35/02/353873502.db2.gz PBOOPNWWVALZAH-UHFFFAOYSA-N 1 2 233.359 3.140 20 0 BGADLO Cc1cc(N2CC[C@@H](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000343426075 353882186 /nfs/dbraw/zinc/88/21/86/353882186.db2.gz MJXREZXINVTHON-CYBMUJFWSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc(N2CC[C@H](C3CC3)C2)nc(C(C)C)[nH+]1 ZINC000343426077 353882463 /nfs/dbraw/zinc/88/24/63/353882463.db2.gz MJXREZXINVTHON-ZDUSSCGKSA-N 1 2 245.370 3.145 20 0 BGADLO C[C@@H](N(C)c1[nH+]c2ccccc2n1C)C1(C)CC1 ZINC000343433543 353884956 /nfs/dbraw/zinc/88/49/56/353884956.db2.gz ZGQXTXXZNTVHBW-LLVKDONJSA-N 1 2 243.354 3.198 20 0 BGADLO C[C@H](N(C)c1[nH+]c2ccccc2n1C)C1(C)CC1 ZINC000343433544 353885308 /nfs/dbraw/zinc/88/53/08/353885308.db2.gz ZGQXTXXZNTVHBW-NSHDSACASA-N 1 2 243.354 3.198 20 0 BGADLO c1ccc(NCc2ccc3ccccc3n2)[nH+]c1 ZINC000343466664 353898707 /nfs/dbraw/zinc/89/87/07/353898707.db2.gz YVRNNRLIZIOBKH-UHFFFAOYSA-N 1 2 235.290 3.242 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)CC(C)(C)C2)cc[nH+]1 ZINC000343484761 353906097 /nfs/dbraw/zinc/90/60/97/353906097.db2.gz WYRNORZMUXHBHO-GFCCVEGCSA-N 1 2 247.386 3.472 20 0 BGADLO CC(C)c1nc(N2C[C@@H](C)CC(C)(C)C2)cc[nH+]1 ZINC000343484763 353906047 /nfs/dbraw/zinc/90/60/47/353906047.db2.gz WYRNORZMUXHBHO-LBPRGKRZSA-N 1 2 247.386 3.472 20 0 BGADLO C[C@@H](N(C)c1cc[nH+]c2ccncc21)C1(C)CC1 ZINC000343487808 353907298 /nfs/dbraw/zinc/90/72/98/353907298.db2.gz USLHCOBHFUAQSZ-LLVKDONJSA-N 1 2 241.338 3.255 20 0 BGADLO C[C@H](N(C)c1cc[nH+]c2ccncc21)C1(C)CC1 ZINC000343487809 353907221 /nfs/dbraw/zinc/90/72/21/353907221.db2.gz USLHCOBHFUAQSZ-NSHDSACASA-N 1 2 241.338 3.255 20 0 BGADLO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CC(C)(C)C1 ZINC000343488963 353908138 /nfs/dbraw/zinc/90/81/38/353908138.db2.gz ZVBJLCSIUVUHGT-LLVKDONJSA-N 1 2 245.370 3.226 20 0 BGADLO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CC(C)(C)C1 ZINC000343488964 353907840 /nfs/dbraw/zinc/90/78/40/353907840.db2.gz ZVBJLCSIUVUHGT-NSHDSACASA-N 1 2 245.370 3.226 20 0 BGADLO Cc1nc(N2C[C@@H](C)CC(C)(C)C2)c(C)c(C)[nH+]1 ZINC000343488975 353908057 /nfs/dbraw/zinc/90/80/57/353908057.db2.gz ZXRVDHZZWFPUGH-JTQLQIEISA-N 1 2 247.386 3.274 20 0 BGADLO Cc1nc(N2C[C@H](C)CC(C)(C)C2)c(C)c(C)[nH+]1 ZINC000343488976 353907974 /nfs/dbraw/zinc/90/79/74/353907974.db2.gz ZXRVDHZZWFPUGH-SNVBAGLBSA-N 1 2 247.386 3.274 20 0 BGADLO CC[C@@]1(C)CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000343527360 353928189 /nfs/dbraw/zinc/92/81/89/353928189.db2.gz AZSAQNNQYBPYKE-AWEZNQCLSA-N 1 2 233.359 3.226 20 0 BGADLO CC[C@]1(C)CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000343527361 535912380 /nfs/dbraw/zinc/91/23/80/535912380.db2.gz AZSAQNNQYBPYKE-CQSZACIVSA-N 1 2 233.359 3.226 20 0 BGADLO Cc1cc(Nc2[nH+]cnc3[nH]ccc32)ccc1F ZINC000343574119 353937738 /nfs/dbraw/zinc/93/77/38/353937738.db2.gz CAGHIWKYPPMXGQ-UHFFFAOYSA-N 1 2 242.257 3.149 20 0 BGADLO CC[C@@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000343589317 353940918 /nfs/dbraw/zinc/94/09/18/353940918.db2.gz GKGIARWKJVNHTJ-HNNXBMFYSA-N 1 2 245.370 3.289 20 0 BGADLO CC[C@]1(C)CCN(c2cc(C)[nH+]c(C3CC3)n2)C1 ZINC000343589319 353941154 /nfs/dbraw/zinc/94/11/54/353941154.db2.gz GKGIARWKJVNHTJ-OAHLLOKOSA-N 1 2 245.370 3.289 20 0 BGADLO C[C@H]1CSC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000343599287 388500917 /nfs/dbraw/zinc/50/09/17/388500917.db2.gz VFLIPIZLLRTADM-GWCFXTLKSA-N 1 2 244.363 3.398 20 0 BGADLO C[C@H]1CSC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000343599289 388501361 /nfs/dbraw/zinc/50/13/61/388501361.db2.gz VFLIPIZLLRTADM-GXFFZTMASA-N 1 2 244.363 3.398 20 0 BGADLO C[C@@H]1CSC[C@@H]1Nc1ccc2ccccc2[nH+]1 ZINC000343599291 388501460 /nfs/dbraw/zinc/50/14/60/388501460.db2.gz VFLIPIZLLRTADM-MFKMUULPSA-N 1 2 244.363 3.398 20 0 BGADLO C[C@@H]1CSC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000343599294 388501474 /nfs/dbraw/zinc/50/14/74/388501474.db2.gz VFLIPIZLLRTADM-ZWNOBZJWSA-N 1 2 244.363 3.398 20 0 BGADLO CC[C@@]1(C)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000343613778 353933562 /nfs/dbraw/zinc/93/35/62/353933562.db2.gz RTYPLOZAQBHXGY-HNNXBMFYSA-N 1 2 241.338 3.256 20 0 BGADLO CC[C@]1(C)CCN(c2cc[nH+]c3ccncc32)C1 ZINC000343613781 353933462 /nfs/dbraw/zinc/93/34/62/353933462.db2.gz RTYPLOZAQBHXGY-OAHLLOKOSA-N 1 2 241.338 3.256 20 0 BGADLO CC[C@@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000343688175 353964230 /nfs/dbraw/zinc/96/42/30/353964230.db2.gz KXILBKJQTYSCDW-GFCCVEGCSA-N 1 2 204.317 3.098 20 0 BGADLO CC[C@H]1CCCN(c2cccc[nH+]2)CC1 ZINC000343688177 353964217 /nfs/dbraw/zinc/96/42/17/353964217.db2.gz KXILBKJQTYSCDW-LBPRGKRZSA-N 1 2 204.317 3.098 20 0 BGADLO Fc1cccc(CC[N@@H+]2CCC=C(F)C2)c1F ZINC000343754749 353973233 /nfs/dbraw/zinc/97/32/33/353973233.db2.gz VXDPGBQVGKHOMN-UHFFFAOYSA-N 1 2 241.256 3.066 20 0 BGADLO Fc1cccc(CC[N@H+]2CCC=C(F)C2)c1F ZINC000343754749 353973232 /nfs/dbraw/zinc/97/32/32/353973232.db2.gz VXDPGBQVGKHOMN-UHFFFAOYSA-N 1 2 241.256 3.066 20 0 BGADLO Cc1cc2cc(CNc3cccc[nH+]3)ccc2[nH]1 ZINC000343802610 354006694 /nfs/dbraw/zinc/00/66/94/354006694.db2.gz DTWAWDWOPXAPKL-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO COc1cc[nH+]cc1CSc1cccs1 ZINC000343809984 354011220 /nfs/dbraw/zinc/01/12/20/354011220.db2.gz BPQBBHHLSSCUOA-UHFFFAOYSA-N 1 2 237.349 3.444 20 0 BGADLO COc1cc[nH+]cc1CSc1ccc(C)cn1 ZINC000343834333 354035018 /nfs/dbraw/zinc/03/50/18/354035018.db2.gz IAFQNSJVDCEVEA-UHFFFAOYSA-N 1 2 246.335 3.086 20 0 BGADLO COc1cc[nH+]cc1CSc1ccccc1 ZINC000343836363 354035170 /nfs/dbraw/zinc/03/51/70/354035170.db2.gz VDPBHVBLLWMSNM-UHFFFAOYSA-N 1 2 231.320 3.383 20 0 BGADLO CC(C)(C)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000343857917 135704611 /nfs/dbraw/zinc/70/46/11/135704611.db2.gz ZTZXETXNQZHFAQ-GFCCVEGCSA-N 1 2 245.370 3.226 20 0 BGADLO CC(C)(C)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000343857921 354024371 /nfs/dbraw/zinc/02/43/71/354024371.db2.gz ZTZXETXNQZHFAQ-LBPRGKRZSA-N 1 2 245.370 3.226 20 0 BGADLO Cc1nc(N2CC[C@@H](C(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC000343872832 354029052 /nfs/dbraw/zinc/02/90/52/354029052.db2.gz MPGRURJDRXGTFR-CYBMUJFWSA-N 1 2 247.386 3.274 20 0 BGADLO Cc1nc(N2CC[C@H](C(C)(C)C)C2)c(C)c(C)[nH+]1 ZINC000343872834 354029240 /nfs/dbraw/zinc/02/92/40/354029240.db2.gz MPGRURJDRXGTFR-ZDUSSCGKSA-N 1 2 247.386 3.274 20 0 BGADLO C[C@H](Nc1cccc[nH+]1)c1ccc2n[nH]cc2c1 ZINC000343919851 354042290 /nfs/dbraw/zinc/04/22/90/354042290.db2.gz JREZFXHTMLMUOA-JTQLQIEISA-N 1 2 238.294 3.131 20 0 BGADLO C[C@@H](Nc1cccc[nH+]1)c1ccc2n[nH]cc2c1 ZINC000343919854 354042104 /nfs/dbraw/zinc/04/21/04/354042104.db2.gz JREZFXHTMLMUOA-SNVBAGLBSA-N 1 2 238.294 3.131 20 0 BGADLO Cc1cc2[nH+]cn(CCOC3CCC3)c2cc1C ZINC000344117072 354142642 /nfs/dbraw/zinc/14/26/42/354142642.db2.gz YCQLOCQSMDRNOZ-UHFFFAOYSA-N 1 2 244.338 3.222 20 0 BGADLO CC[C@H](C)CSCc1c[nH+]ccc1OC ZINC000344150646 354155919 /nfs/dbraw/zinc/15/59/19/354155919.db2.gz WFEDJOVCSXIPSN-JTQLQIEISA-N 1 2 225.357 3.370 20 0 BGADLO CC[C@@H](C)CSCc1c[nH+]ccc1OC ZINC000344150647 354156006 /nfs/dbraw/zinc/15/60/06/354156006.db2.gz WFEDJOVCSXIPSN-SNVBAGLBSA-N 1 2 225.357 3.370 20 0 BGADLO COc1cc[nH+]cc1CS[C@@H](C)C(C)C ZINC000344164180 537121111 /nfs/dbraw/zinc/12/11/11/537121111.db2.gz IJMMGXCMEXIAMX-JTQLQIEISA-N 1 2 225.357 3.368 20 0 BGADLO COc1cc[nH+]cc1CS[C@H](C)C(C)C ZINC000344164181 354168940 /nfs/dbraw/zinc/16/89/40/354168940.db2.gz IJMMGXCMEXIAMX-SNVBAGLBSA-N 1 2 225.357 3.368 20 0 BGADLO COc1cc[nH+]cc1CSCC=C(C)C ZINC000344174371 354173105 /nfs/dbraw/zinc/17/31/05/354173105.db2.gz QRGHIGMNYIOWEQ-UHFFFAOYSA-N 1 2 223.341 3.290 20 0 BGADLO CC(C)c1ccccc1N(C)Cc1[nH+]ccn1C ZINC000344204438 354162841 /nfs/dbraw/zinc/16/28/41/354162841.db2.gz ZSAQYEVUOHVZHY-UHFFFAOYSA-N 1 2 243.354 3.180 20 0 BGADLO CC(C)c1ccccc1N(C)Cc1c[nH+]cn1C ZINC000344240557 354187592 /nfs/dbraw/zinc/18/75/92/354187592.db2.gz TXOYBCAWWAYUIZ-UHFFFAOYSA-N 1 2 243.354 3.180 20 0 BGADLO Cc1ccoc1C[NH2+]Cc1csc(C2CC2)n1 ZINC000344393713 354259760 /nfs/dbraw/zinc/25/97/60/354259760.db2.gz WYQMMLLPPCTZSD-UHFFFAOYSA-N 1 2 248.351 3.212 20 0 BGADLO c1ccc(NCCc2ccc3ccccc3n2)[nH+]c1 ZINC000344476117 354268243 /nfs/dbraw/zinc/26/82/43/354268243.db2.gz DQYONJOVTUAOQP-UHFFFAOYSA-N 1 2 249.317 3.284 20 0 BGADLO Cc1cc(Cl)ccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000344520364 354275807 /nfs/dbraw/zinc/27/58/07/354275807.db2.gz PATOWWJKNQIEMD-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)ccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000344520364 354275805 /nfs/dbraw/zinc/27/58/05/354275805.db2.gz PATOWWJKNQIEMD-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO COc1cc[nH+]cc1CSCC(C)(C)C ZINC000344580737 354310046 /nfs/dbraw/zinc/31/00/46/354310046.db2.gz PMGYCWDAZSLMBV-UHFFFAOYSA-N 1 2 225.357 3.370 20 0 BGADLO COc1cc[nH+]cc1CSc1ncccc1C ZINC000344594864 354322894 /nfs/dbraw/zinc/32/28/94/354322894.db2.gz SCZOTYMBYOQYLA-UHFFFAOYSA-N 1 2 246.335 3.086 20 0 BGADLO C[N@@H+](Cc1ccoc1)Cc1cccc(F)c1F ZINC000345091623 385993726 /nfs/dbraw/zinc/99/37/26/385993726.db2.gz OUFUMWGMKYEVNM-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO C[N@H+](Cc1ccoc1)Cc1cccc(F)c1F ZINC000345091623 385993720 /nfs/dbraw/zinc/99/37/20/385993720.db2.gz OUFUMWGMKYEVNM-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO C[N@@H+](Cc1ccoc1)Cc1cc(F)ccc1F ZINC000345094074 385993809 /nfs/dbraw/zinc/99/38/09/385993809.db2.gz DXVJOOPYKXHDOR-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO C[N@H+](Cc1ccoc1)Cc1cc(F)ccc1F ZINC000345094074 385993805 /nfs/dbraw/zinc/99/38/05/385993805.db2.gz DXVJOOPYKXHDOR-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO C[N@@H+](Cc1ccoc1)Cc1ccccc1F ZINC000345102152 385996813 /nfs/dbraw/zinc/99/68/13/385996813.db2.gz XPSLGFKRHDXHRA-UHFFFAOYSA-N 1 2 219.259 3.051 20 0 BGADLO C[N@H+](Cc1ccoc1)Cc1ccccc1F ZINC000345102152 385996803 /nfs/dbraw/zinc/99/68/03/385996803.db2.gz XPSLGFKRHDXHRA-UHFFFAOYSA-N 1 2 219.259 3.051 20 0 BGADLO Cc1cc(N(C)Cc2ccoc2)nc(C(C)C)[nH+]1 ZINC000345206651 386061093 /nfs/dbraw/zinc/06/10/93/386061093.db2.gz XMFIKSYMAWIDNE-UHFFFAOYSA-N 1 2 245.326 3.138 20 0 BGADLO CCC(CC)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000345319326 354609892 /nfs/dbraw/zinc/60/98/92/354609892.db2.gz MLJXKGIMDAHZSB-UHFFFAOYSA-N 1 2 234.343 3.463 20 0 BGADLO c1ccc(CSCCNc2cccc[nH+]2)cc1 ZINC000345330498 354612670 /nfs/dbraw/zinc/61/26/70/354612670.db2.gz OQJWSQMIXPQEQZ-UHFFFAOYSA-N 1 2 244.363 3.427 20 0 BGADLO CCC(CC)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000345384924 354647237 /nfs/dbraw/zinc/64/72/37/354647237.db2.gz RAVKLYJCWXEVRD-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO COc1ccc(F)cc1C[N@@H+](C)Cc1ccoc1 ZINC000345387278 354647604 /nfs/dbraw/zinc/64/76/04/354647604.db2.gz VWOHYZYHCZGYAN-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO COc1ccc(F)cc1C[N@H+](C)Cc1ccoc1 ZINC000345387278 354647602 /nfs/dbraw/zinc/64/76/02/354647602.db2.gz VWOHYZYHCZGYAN-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO Cc1ccc(C)c(CN(C)c2cccc[nH+]2)c1 ZINC000345400184 354650141 /nfs/dbraw/zinc/65/01/41/354650141.db2.gz XFTVSFCYEBLFSI-UHFFFAOYSA-N 1 2 226.323 3.335 20 0 BGADLO CC(C)CSCCC[N@H+]1CCC(F)(F)C1 ZINC000345804183 133794424 /nfs/dbraw/zinc/79/44/24/133794424.db2.gz IKXRMGHFJVCNHP-UHFFFAOYSA-N 1 2 237.359 3.107 20 0 BGADLO CC(C)CSCCC[N@@H+]1CCC(F)(F)C1 ZINC000345804183 133794423 /nfs/dbraw/zinc/79/44/23/133794423.db2.gz IKXRMGHFJVCNHP-UHFFFAOYSA-N 1 2 237.359 3.107 20 0 BGADLO FC1(F)CC[N@@H+](CCCC2CCCC2)C1 ZINC000345809588 354778800 /nfs/dbraw/zinc/77/88/00/354778800.db2.gz SXGIMIYRFGCNJP-UHFFFAOYSA-N 1 2 217.303 3.298 20 0 BGADLO FC1(F)CC[N@H+](CCCC2CCCC2)C1 ZINC000345809588 354778798 /nfs/dbraw/zinc/77/87/98/354778798.db2.gz SXGIMIYRFGCNJP-UHFFFAOYSA-N 1 2 217.303 3.298 20 0 BGADLO FC1(F)CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000345819576 354787494 /nfs/dbraw/zinc/78/74/94/354787494.db2.gz GVHYJZSVRRAQNI-CYBMUJFWSA-N 1 2 237.293 3.405 20 0 BGADLO FC1(F)CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000345819576 354787490 /nfs/dbraw/zinc/78/74/90/354787490.db2.gz GVHYJZSVRRAQNI-CYBMUJFWSA-N 1 2 237.293 3.405 20 0 BGADLO FC1(F)CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000345819577 354787478 /nfs/dbraw/zinc/78/74/78/354787478.db2.gz GVHYJZSVRRAQNI-ZDUSSCGKSA-N 1 2 237.293 3.405 20 0 BGADLO FC1(F)CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000345819577 354787475 /nfs/dbraw/zinc/78/74/75/354787475.db2.gz GVHYJZSVRRAQNI-ZDUSSCGKSA-N 1 2 237.293 3.405 20 0 BGADLO Cc1cc(C)cc(C[N@H+]2CCC(F)(F)C2)c1 ZINC000345827190 386116409 /nfs/dbraw/zinc/11/64/09/386116409.db2.gz RBYFHRPEWPLRMR-UHFFFAOYSA-N 1 2 225.282 3.144 20 0 BGADLO Cc1cc(C)cc(C[N@@H+]2CCC(F)(F)C2)c1 ZINC000345827190 386116405 /nfs/dbraw/zinc/11/64/05/386116405.db2.gz RBYFHRPEWPLRMR-UHFFFAOYSA-N 1 2 225.282 3.144 20 0 BGADLO Cc1cccc(C)c1C[N@H+]1CCC(F)(F)C1 ZINC000345911701 354805967 /nfs/dbraw/zinc/80/59/67/354805967.db2.gz HTSSUIAQRNZRRI-UHFFFAOYSA-N 1 2 225.282 3.144 20 0 BGADLO Cc1cccc(C)c1C[N@@H+]1CCC(F)(F)C1 ZINC000345911701 354805961 /nfs/dbraw/zinc/80/59/61/354805961.db2.gz HTSSUIAQRNZRRI-UHFFFAOYSA-N 1 2 225.282 3.144 20 0 BGADLO Cc1ccccc1[C@@H](C)[N@H+]1CCC(F)(F)C1 ZINC000345934395 354812597 /nfs/dbraw/zinc/81/25/97/354812597.db2.gz OGBQSSRMTSDGNJ-LLVKDONJSA-N 1 2 225.282 3.397 20 0 BGADLO Cc1ccccc1[C@@H](C)[N@@H+]1CCC(F)(F)C1 ZINC000345934395 354812596 /nfs/dbraw/zinc/81/25/96/354812596.db2.gz OGBQSSRMTSDGNJ-LLVKDONJSA-N 1 2 225.282 3.397 20 0 BGADLO Cc1ccccc1[C@H](C)[N@H+]1CCC(F)(F)C1 ZINC000345934406 354812592 /nfs/dbraw/zinc/81/25/92/354812592.db2.gz OGBQSSRMTSDGNJ-NSHDSACASA-N 1 2 225.282 3.397 20 0 BGADLO Cc1ccccc1[C@H](C)[N@@H+]1CCC(F)(F)C1 ZINC000345934406 354812591 /nfs/dbraw/zinc/81/25/91/354812591.db2.gz OGBQSSRMTSDGNJ-NSHDSACASA-N 1 2 225.282 3.397 20 0 BGADLO Cc1cccc([C@@H](C)[N@H+]2CCC(F)(F)C2)c1 ZINC000345972875 354825028 /nfs/dbraw/zinc/82/50/28/354825028.db2.gz XGAHKQFUBIZSFC-LLVKDONJSA-N 1 2 225.282 3.397 20 0 BGADLO Cc1cccc([C@@H](C)[N@@H+]2CCC(F)(F)C2)c1 ZINC000345972875 354825024 /nfs/dbraw/zinc/82/50/24/354825024.db2.gz XGAHKQFUBIZSFC-LLVKDONJSA-N 1 2 225.282 3.397 20 0 BGADLO Cc1cccc([C@H](C)[N@H+]2CCC(F)(F)C2)c1 ZINC000345972877 354825119 /nfs/dbraw/zinc/82/51/19/354825119.db2.gz XGAHKQFUBIZSFC-NSHDSACASA-N 1 2 225.282 3.397 20 0 BGADLO Cc1cccc([C@H](C)[N@@H+]2CCC(F)(F)C2)c1 ZINC000345972877 354825115 /nfs/dbraw/zinc/82/51/15/354825115.db2.gz XGAHKQFUBIZSFC-NSHDSACASA-N 1 2 225.282 3.397 20 0 BGADLO C[C@H](CCC1CC1)Nc1cc[nH+]c2ccncc12 ZINC000346179419 386159621 /nfs/dbraw/zinc/15/96/21/386159621.db2.gz KZIPMDORZFODFF-LLVKDONJSA-N 1 2 241.338 3.042 20 0 BGADLO C[C@@H](CCC1CC1)Nc1cc[nH+]c2ccncc12 ZINC000346179420 386161588 /nfs/dbraw/zinc/16/15/88/386161588.db2.gz KZIPMDORZFODFF-NSHDSACASA-N 1 2 241.338 3.042 20 0 BGADLO COCC[N@@H+](CC(F)F)C[C@@H]1CCCC[C@H]1C ZINC000346185575 174288735 /nfs/dbraw/zinc/28/87/35/174288735.db2.gz VBUBHBQUZQJCRY-NEPJUHHUSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@H+](CC(F)F)C[C@@H]1CCCC[C@H]1C ZINC000346185575 174288732 /nfs/dbraw/zinc/28/87/32/174288732.db2.gz VBUBHBQUZQJCRY-NEPJUHHUSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@@H+](CC(F)F)C[C@H]1CCCC[C@@H]1C ZINC000346185579 174288741 /nfs/dbraw/zinc/28/87/41/174288741.db2.gz VBUBHBQUZQJCRY-NWDGAFQWSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@H+](CC(F)F)C[C@H]1CCCC[C@@H]1C ZINC000346185579 174288739 /nfs/dbraw/zinc/28/87/39/174288739.db2.gz VBUBHBQUZQJCRY-NWDGAFQWSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@@H+](CC(F)F)C[C@@H]1CCCC[C@@H]1C ZINC000346185581 174288329 /nfs/dbraw/zinc/28/83/29/174288329.db2.gz VBUBHBQUZQJCRY-RYUDHWBXSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@H+](CC(F)F)C[C@@H]1CCCC[C@@H]1C ZINC000346185581 174288328 /nfs/dbraw/zinc/28/83/28/174288328.db2.gz VBUBHBQUZQJCRY-RYUDHWBXSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@@H+](CC(F)F)C[C@H]1CCCC[C@H]1C ZINC000346185582 174288269 /nfs/dbraw/zinc/28/82/69/174288269.db2.gz VBUBHBQUZQJCRY-VXGBXAGGSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@H+](CC(F)F)C[C@H]1CCCC[C@H]1C ZINC000346185582 174288266 /nfs/dbraw/zinc/28/82/66/174288266.db2.gz VBUBHBQUZQJCRY-VXGBXAGGSA-N 1 2 249.345 3.026 20 0 BGADLO CC(C)c1cnc(C[N@@H+](C)Cc2ccc[nH]2)s1 ZINC000346192116 386180697 /nfs/dbraw/zinc/18/06/97/386180697.db2.gz CYIZZMSOQIQVIU-UHFFFAOYSA-N 1 2 249.383 3.227 20 0 BGADLO CC(C)c1cnc(C[N@H+](C)Cc2ccc[nH]2)s1 ZINC000346192116 386180692 /nfs/dbraw/zinc/18/06/92/386180692.db2.gz CYIZZMSOQIQVIU-UHFFFAOYSA-N 1 2 249.383 3.227 20 0 BGADLO Cc1cc(N[C@@H](C)CCC2CC2)nc(C2CC2)[nH+]1 ZINC000346208839 386187668 /nfs/dbraw/zinc/18/76/68/386187668.db2.gz DUPLCJMGDKRNAC-JTQLQIEISA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N[C@H](C)CCC2CC2)nc(C2CC2)[nH+]1 ZINC000346208844 386187006 /nfs/dbraw/zinc/18/70/06/386187006.db2.gz DUPLCJMGDKRNAC-SNVBAGLBSA-N 1 2 245.370 3.075 20 0 BGADLO CC1=CC[N@@H+](Cc2ncc(C(C)C)s2)CC1 ZINC000346222386 168116431 /nfs/dbraw/zinc/11/64/31/168116431.db2.gz OGSSCOBRMAQHNH-UHFFFAOYSA-N 1 2 236.384 3.419 20 0 BGADLO CC1=CC[N@H+](Cc2ncc(C(C)C)s2)CC1 ZINC000346222386 168116430 /nfs/dbraw/zinc/11/64/30/168116430.db2.gz OGSSCOBRMAQHNH-UHFFFAOYSA-N 1 2 236.384 3.419 20 0 BGADLO FC1(F)CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000346230029 386177003 /nfs/dbraw/zinc/17/70/03/386177003.db2.gz CFMMOUSNACHDMS-CHWSQXEVSA-N 1 2 237.293 3.131 20 0 BGADLO FC1(F)CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000346230029 386176998 /nfs/dbraw/zinc/17/69/98/386176998.db2.gz CFMMOUSNACHDMS-CHWSQXEVSA-N 1 2 237.293 3.131 20 0 BGADLO FC1(F)CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000346230030 386175640 /nfs/dbraw/zinc/17/56/40/386175640.db2.gz CFMMOUSNACHDMS-OLZOCXBDSA-N 1 2 237.293 3.131 20 0 BGADLO FC1(F)CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000346230030 386175636 /nfs/dbraw/zinc/17/56/36/386175636.db2.gz CFMMOUSNACHDMS-OLZOCXBDSA-N 1 2 237.293 3.131 20 0 BGADLO FC1(F)CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000346230031 386175805 /nfs/dbraw/zinc/17/58/05/386175805.db2.gz CFMMOUSNACHDMS-QWHCGFSZSA-N 1 2 237.293 3.131 20 0 BGADLO FC1(F)CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000346230031 386175803 /nfs/dbraw/zinc/17/58/03/386175803.db2.gz CFMMOUSNACHDMS-QWHCGFSZSA-N 1 2 237.293 3.131 20 0 BGADLO FC1(F)CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000346230032 386178578 /nfs/dbraw/zinc/17/85/78/386178578.db2.gz CFMMOUSNACHDMS-STQMWFEESA-N 1 2 237.293 3.131 20 0 BGADLO FC1(F)CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000346230032 386178574 /nfs/dbraw/zinc/17/85/74/386178574.db2.gz CFMMOUSNACHDMS-STQMWFEESA-N 1 2 237.293 3.131 20 0 BGADLO Cc1cccc(C[N@H+]2CCC(F)(F)C2)c1C ZINC000346232489 179074843 /nfs/dbraw/zinc/07/48/43/179074843.db2.gz JDOYPGRRYJNAGY-UHFFFAOYSA-N 1 2 225.282 3.144 20 0 BGADLO Cc1cccc(C[N@@H+]2CCC(F)(F)C2)c1C ZINC000346232489 179074839 /nfs/dbraw/zinc/07/48/39/179074839.db2.gz JDOYPGRRYJNAGY-UHFFFAOYSA-N 1 2 225.282 3.144 20 0 BGADLO Cc1ccc(C[N@H+]2CCC(F)(F)C2)c(C)c1 ZINC000346235416 386179417 /nfs/dbraw/zinc/17/94/17/386179417.db2.gz NQUDHJJZTFKUDL-UHFFFAOYSA-N 1 2 225.282 3.144 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC(F)(F)C2)c(C)c1 ZINC000346235416 386179414 /nfs/dbraw/zinc/17/94/14/386179414.db2.gz NQUDHJJZTFKUDL-UHFFFAOYSA-N 1 2 225.282 3.144 20 0 BGADLO CC(C)CCCSc1[nH+]cnc2[nH]ccc21 ZINC000346272653 386186974 /nfs/dbraw/zinc/18/69/74/386186974.db2.gz WTDZHKAOLHNFOZ-UHFFFAOYSA-N 1 2 235.356 3.486 20 0 BGADLO Cc1ccc(C[N@H+]2CCC(F)(F)C2)cc1C ZINC000346316835 354895090 /nfs/dbraw/zinc/89/50/90/354895090.db2.gz IFTHIBMKIGYZLZ-UHFFFAOYSA-N 1 2 225.282 3.144 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC(F)(F)C2)cc1C ZINC000346316835 354895085 /nfs/dbraw/zinc/89/50/85/354895085.db2.gz IFTHIBMKIGYZLZ-UHFFFAOYSA-N 1 2 225.282 3.144 20 0 BGADLO CC[N@@H+](CC[C@@H]1CCCO1)c1ccccc1C ZINC000346398347 354909819 /nfs/dbraw/zinc/90/98/19/354909819.db2.gz YFEUIVNQASTAKW-AWEZNQCLSA-N 1 2 233.355 3.390 20 0 BGADLO CC[N@H+](CC[C@@H]1CCCO1)c1ccccc1C ZINC000346398347 354909815 /nfs/dbraw/zinc/90/98/15/354909815.db2.gz YFEUIVNQASTAKW-AWEZNQCLSA-N 1 2 233.355 3.390 20 0 BGADLO CC[N@@H+](CC[C@H]1CCCO1)c1ccccc1C ZINC000346398348 354909480 /nfs/dbraw/zinc/90/94/80/354909480.db2.gz YFEUIVNQASTAKW-CQSZACIVSA-N 1 2 233.355 3.390 20 0 BGADLO CC[N@H+](CC[C@H]1CCCO1)c1ccccc1C ZINC000346398348 354909477 /nfs/dbraw/zinc/90/94/77/354909477.db2.gz YFEUIVNQASTAKW-CQSZACIVSA-N 1 2 233.355 3.390 20 0 BGADLO CC(C)[C@@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346418094 354952179 /nfs/dbraw/zinc/95/21/79/354952179.db2.gz LAANGTQOIQSBCX-GFCCVEGCSA-N 1 2 233.359 3.138 20 0 BGADLO CC(C)[C@H](C)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346418095 354952217 /nfs/dbraw/zinc/95/22/17/354952217.db2.gz LAANGTQOIQSBCX-LBPRGKRZSA-N 1 2 233.359 3.138 20 0 BGADLO C[C@@H](Nc1ccc(N2CCCC2)c[nH+]1)C1CCC1 ZINC000346420266 354922486 /nfs/dbraw/zinc/92/24/86/354922486.db2.gz RHWWBNBPBZRQFN-GFCCVEGCSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H](Nc1ccc(N2CCCC2)c[nH+]1)C1CCC1 ZINC000346420267 354922373 /nfs/dbraw/zinc/92/23/73/354922373.db2.gz RHWWBNBPBZRQFN-LBPRGKRZSA-N 1 2 245.370 3.282 20 0 BGADLO c1cc(NC2CCCC2)[nH+]cc1N1CCCC1 ZINC000346421147 354923824 /nfs/dbraw/zinc/92/38/24/354923824.db2.gz SRYVRQSFMVEFJO-UHFFFAOYSA-N 1 2 231.343 3.036 20 0 BGADLO C[C@H](CC1CC1)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346422136 354924335 /nfs/dbraw/zinc/92/43/35/354924335.db2.gz WIIJYVDUGMEGNW-GFCCVEGCSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H](CC1CC1)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346422137 354924069 /nfs/dbraw/zinc/92/40/69/354924069.db2.gz WIIJYVDUGMEGNW-LBPRGKRZSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H](CCC(C)(C)C)Nc1cc[nH+]c(C2CC2)n1 ZINC000346434799 354933326 /nfs/dbraw/zinc/93/33/26/354933326.db2.gz JTTMEHRZDUZMAV-LLVKDONJSA-N 1 2 247.386 3.403 20 0 BGADLO C[C@@H](CCC(C)(C)C)Nc1cc[nH+]c(C2CC2)n1 ZINC000346434801 354933352 /nfs/dbraw/zinc/93/33/52/354933352.db2.gz JTTMEHRZDUZMAV-NSHDSACASA-N 1 2 247.386 3.403 20 0 BGADLO C[C@H]1CCC[C@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346463271 354953716 /nfs/dbraw/zinc/95/37/16/354953716.db2.gz POGGHXAHZGSACQ-GXTWGEPZSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H]1CCC[C@@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346463274 354953811 /nfs/dbraw/zinc/95/38/11/354953811.db2.gz POGGHXAHZGSACQ-JSGCOSHPSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H]1CCC[C@@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346463276 354953688 /nfs/dbraw/zinc/95/36/88/354953688.db2.gz POGGHXAHZGSACQ-OCCSQVGLSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H]1CCC[C@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000346463278 354953512 /nfs/dbraw/zinc/95/35/12/354953512.db2.gz POGGHXAHZGSACQ-TZMCWYRMSA-N 1 2 245.370 3.282 20 0 BGADLO C/C=C\CSCc1cc(OC)cc(C)[nH+]1 ZINC000346569274 354971170 /nfs/dbraw/zinc/97/11/70/354971170.db2.gz QZZUYYPPURKJKG-PLNGDYQASA-N 1 2 223.341 3.208 20 0 BGADLO C/C=C/CSCc1cc(OC)cc(C)[nH+]1 ZINC000346569275 354971024 /nfs/dbraw/zinc/97/10/24/354971024.db2.gz QZZUYYPPURKJKG-SNAWJCMRSA-N 1 2 223.341 3.208 20 0 BGADLO COc1cc(C)[nH+]c(CSCC2CCC2)c1 ZINC000346588412 355002252 /nfs/dbraw/zinc/00/22/52/355002252.db2.gz VRRDTYCTXOIGRI-UHFFFAOYSA-N 1 2 237.368 3.432 20 0 BGADLO CN(CC1CCCCC1)c1cc[nH+]c(C2CC2)n1 ZINC000346594272 354987579 /nfs/dbraw/zinc/98/75/79/354987579.db2.gz QAPSRXIPFVNDSD-UHFFFAOYSA-N 1 2 245.370 3.371 20 0 BGADLO c1cc(NCCCC2CCCC2)nc(C2CC2)[nH+]1 ZINC000346595034 354987702 /nfs/dbraw/zinc/98/77/02/354987702.db2.gz RBNUKFYAJHHRQL-UHFFFAOYSA-N 1 2 245.370 3.158 20 0 BGADLO CC(C)c1nc(NCCC2CCCC2)cc[nH+]1 ZINC000346596872 135941851 /nfs/dbraw/zinc/94/18/51/135941851.db2.gz VTIKELBAUVRMIC-UHFFFAOYSA-N 1 2 233.359 3.014 20 0 BGADLO CC(C)c1nc(NCC2CCCCC2)cc[nH+]1 ZINC000346599134 354989191 /nfs/dbraw/zinc/98/91/91/354989191.db2.gz FHPHSSARZINKAQ-UHFFFAOYSA-N 1 2 233.359 3.014 20 0 BGADLO CCN(CC(C)C)c1cc[nH+]c(C(C)C)n1 ZINC000346602470 354990176 /nfs/dbraw/zinc/99/01/76/354990176.db2.gz GXWPHDRGTZYLCG-UHFFFAOYSA-N 1 2 221.348 3.082 20 0 BGADLO CCCCN(CC)c1cc[nH+]c(C(C)C)n1 ZINC000346606695 354991799 /nfs/dbraw/zinc/99/17/99/354991799.db2.gz HLCMVJRGLYUVOU-UHFFFAOYSA-N 1 2 221.348 3.226 20 0 BGADLO C[C@@H]1CCC[C@H](Nc2cc[nH+]c(C3CC3)n2)[C@H]1C ZINC000346629189 354997661 /nfs/dbraw/zinc/99/76/61/354997661.db2.gz RXMRWJILEPWJEB-MDZLAQPJSA-N 1 2 245.370 3.013 20 0 BGADLO C[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C3CC3)n2)[C@@H]1C ZINC000346629191 354997776 /nfs/dbraw/zinc/99/77/76/354997776.db2.gz RXMRWJILEPWJEB-NQBHXWOUSA-N 1 2 245.370 3.013 20 0 BGADLO C[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C3CC3)n2)[C@H]1C ZINC000346629192 354997752 /nfs/dbraw/zinc/99/77/52/354997752.db2.gz RXMRWJILEPWJEB-NTZNESFSSA-N 1 2 245.370 3.013 20 0 BGADLO C[C@@H]1CCC[C@H](Nc2cc[nH+]c(C3CC3)n2)[C@@H]1C ZINC000346629193 354997530 /nfs/dbraw/zinc/99/75/30/354997530.db2.gz RXMRWJILEPWJEB-WZRBSPASSA-N 1 2 245.370 3.013 20 0 BGADLO Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000346639999 355015565 /nfs/dbraw/zinc/01/55/65/355015565.db2.gz VDBQTVIHPATXSM-GHMZBOCLSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000346640000 355015546 /nfs/dbraw/zinc/01/55/46/355015546.db2.gz VDBQTVIHPATXSM-PHIMTYICSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000346640001 355015588 /nfs/dbraw/zinc/01/55/88/355015588.db2.gz VDBQTVIHPATXSM-QWRGUYRKSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc(NC2CCCCCC2)nc(C2CC2)[nH+]1 ZINC000346644886 355017197 /nfs/dbraw/zinc/01/71/97/355017197.db2.gz CAKSWLKWNULDAD-UHFFFAOYSA-N 1 2 245.370 3.219 20 0 BGADLO Cc1cc(N[C@H]2CCCC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000346646188 355018083 /nfs/dbraw/zinc/01/80/83/355018083.db2.gz CPHBQCJNTZJBHD-GWCFXTLKSA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N[C@@H]2CCCC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000346646191 355018124 /nfs/dbraw/zinc/01/81/24/355018124.db2.gz CPHBQCJNTZJBHD-GXFFZTMASA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N[C@H]2CCCC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000346646197 135948981 /nfs/dbraw/zinc/94/89/81/135948981.db2.gz CPHBQCJNTZJBHD-MFKMUULPSA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N[C@@H]2CCCC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000346646202 355018027 /nfs/dbraw/zinc/01/80/27/355018027.db2.gz CPHBQCJNTZJBHD-ZWNOBZJWSA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(NCC2CCCCC2)nc(C2CC2)[nH+]1 ZINC000346647551 135948991 /nfs/dbraw/zinc/94/89/91/135948991.db2.gz FXLDYUJUSIXPMW-UHFFFAOYSA-N 1 2 245.370 3.077 20 0 BGADLO C[C@]1(F)CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000346650284 355019026 /nfs/dbraw/zinc/01/90/26/355019026.db2.gz GDVYCSUGFJFBTQ-JTQLQIEISA-N 1 2 248.223 3.039 20 0 BGADLO C[C@@]1(F)CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000346650285 355018595 /nfs/dbraw/zinc/01/85/95/355018595.db2.gz GDVYCSUGFJFBTQ-SNVBAGLBSA-N 1 2 248.223 3.039 20 0 BGADLO C[C@@H]1CCN(c2cc[nH+]c3ccncc32)C[C@@H]1C ZINC000346656123 355003616 /nfs/dbraw/zinc/00/36/16/355003616.db2.gz MZDRZJUKVIMNKR-NEPJUHHUSA-N 1 2 241.338 3.112 20 0 BGADLO C[C@H]1CCN(c2cc[nH+]c3ccncc32)C[C@H]1C ZINC000346656128 355003772 /nfs/dbraw/zinc/00/37/72/355003772.db2.gz MZDRZJUKVIMNKR-NWDGAFQWSA-N 1 2 241.338 3.112 20 0 BGADLO C[C@H]1CN(c2cc[nH+]c3ccncc32)CC[C@@H]1C ZINC000346656133 355003493 /nfs/dbraw/zinc/00/34/93/355003493.db2.gz MZDRZJUKVIMNKR-RYUDHWBXSA-N 1 2 241.338 3.112 20 0 BGADLO C[C@@H]1CCN(c2cc[nH+]c3ccncc32)C[C@H]1C ZINC000346656139 355003970 /nfs/dbraw/zinc/00/39/70/355003970.db2.gz MZDRZJUKVIMNKR-VXGBXAGGSA-N 1 2 241.338 3.112 20 0 BGADLO Cc1cc(N(C)C2CCCCC2)nc(C2CC2)[nH+]1 ZINC000346660677 355005686 /nfs/dbraw/zinc/00/56/86/355005686.db2.gz UTPYRVKHJDZAKP-UHFFFAOYSA-N 1 2 245.370 3.431 20 0 BGADLO Cc1cc(N2CC[C@@H](C)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000346663175 135946093 /nfs/dbraw/zinc/94/60/93/135946093.db2.gz XGHCFUUSUHXPRS-GHMZBOCLSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc(N2CC[C@@H](C)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000346663176 355005652 /nfs/dbraw/zinc/00/56/52/355005652.db2.gz XGHCFUUSUHXPRS-MNOVXSKESA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc(N2CC[C@H](C)[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000346663177 355005838 /nfs/dbraw/zinc/00/58/38/355005838.db2.gz XGHCFUUSUHXPRS-QWRGUYRKSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc(N2CC[C@H](C)[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000346663178 355005736 /nfs/dbraw/zinc/00/57/36/355005736.db2.gz XGHCFUUSUHXPRS-WDEREUQCSA-N 1 2 245.370 3.145 20 0 BGADLO c1csc(Sc2[nH+]cnc3[nH]ccc32)c1 ZINC000346737247 355090309 /nfs/dbraw/zinc/09/03/09/355090309.db2.gz CFZGZQPZKKEPTC-UHFFFAOYSA-N 1 2 233.321 3.171 20 0 BGADLO CC[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000346742643 355091129 /nfs/dbraw/zinc/09/11/29/355091129.db2.gz WYGAWHUDCJRGFR-AAEUAGOBSA-N 1 2 245.370 3.157 20 0 BGADLO CC[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000346742644 355091037 /nfs/dbraw/zinc/09/10/37/355091037.db2.gz WYGAWHUDCJRGFR-DGCLKSJQSA-N 1 2 245.370 3.157 20 0 BGADLO CC[C@H]1CCCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000346742645 355091092 /nfs/dbraw/zinc/09/10/92/355091092.db2.gz WYGAWHUDCJRGFR-WCQYABFASA-N 1 2 245.370 3.157 20 0 BGADLO CC[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000346742646 355090843 /nfs/dbraw/zinc/09/08/43/355090843.db2.gz WYGAWHUDCJRGFR-YPMHNXCESA-N 1 2 245.370 3.157 20 0 BGADLO Cc1cc(N[C@H](C)c2c(F)cccc2F)nc[nH+]1 ZINC000346780136 135973270 /nfs/dbraw/zinc/97/32/70/135973270.db2.gz NZHACRKKKSLQMD-SECBINFHSA-N 1 2 249.264 3.236 20 0 BGADLO Cc1cc(N[C@@H](C)c2c(F)cccc2F)nc[nH+]1 ZINC000346780138 355115102 /nfs/dbraw/zinc/11/51/02/355115102.db2.gz NZHACRKKKSLQMD-VIFPVBQESA-N 1 2 249.264 3.236 20 0 BGADLO CCC1CCN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000346780196 355115034 /nfs/dbraw/zinc/11/50/34/355115034.db2.gz OPPCDUWBGDTLLA-UHFFFAOYSA-N 1 2 233.359 3.226 20 0 BGADLO CC(C)c1nc(N[C@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000346783550 355115599 /nfs/dbraw/zinc/11/55/99/355115599.db2.gz PAZIPWRJUGHBHM-NEPJUHHUSA-N 1 2 233.359 3.013 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000346783551 355115800 /nfs/dbraw/zinc/11/58/00/355115800.db2.gz PAZIPWRJUGHBHM-NWDGAFQWSA-N 1 2 233.359 3.013 20 0 BGADLO CC(C)c1nc(N[C@H]2CCC[C@H](C)C2)cc[nH+]1 ZINC000346783553 355115631 /nfs/dbraw/zinc/11/56/31/355115631.db2.gz PAZIPWRJUGHBHM-RYUDHWBXSA-N 1 2 233.359 3.013 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCC[C@@H](C)C2)cc[nH+]1 ZINC000346783555 135972970 /nfs/dbraw/zinc/97/29/70/135972970.db2.gz PAZIPWRJUGHBHM-VXGBXAGGSA-N 1 2 233.359 3.013 20 0 BGADLO c1cc(NCCC2CCCCC2)nc(C2CC2)[nH+]1 ZINC000346786435 355116441 /nfs/dbraw/zinc/11/64/41/355116441.db2.gz SUDNQXHFERPYMX-UHFFFAOYSA-N 1 2 245.370 3.158 20 0 BGADLO Cc1cc(NC(=O)CCCC2CCCC2)cc[nH+]1 ZINC000346842880 355134455 /nfs/dbraw/zinc/13/44/55/355134455.db2.gz MPMZFLSUJIPDKU-UHFFFAOYSA-N 1 2 246.354 3.111 20 0 BGADLO C[C@H]([NH2+]Cc1cocn1)c1cc2ccccc2o1 ZINC000346863261 388520970 /nfs/dbraw/zinc/52/09/70/388520970.db2.gz SWONCOFIFSHEFB-JTQLQIEISA-N 1 2 242.278 3.272 20 0 BGADLO C[C@@H]([NH2+]Cc1cocn1)c1cc2ccccc2o1 ZINC000346863263 388521012 /nfs/dbraw/zinc/52/10/12/388521012.db2.gz SWONCOFIFSHEFB-SNVBAGLBSA-N 1 2 242.278 3.272 20 0 BGADLO CC(C)c1nc(N(C)CC2CCCC2)cc[nH+]1 ZINC000346912068 355151986 /nfs/dbraw/zinc/15/19/86/355151986.db2.gz SCPDORBONLZQKO-UHFFFAOYSA-N 1 2 233.359 3.226 20 0 BGADLO CC(C)c1nc(N2CCC[C@@H]2C(C)C)cc[nH+]1 ZINC000346932610 355180925 /nfs/dbraw/zinc/18/09/25/355180925.db2.gz HPOPFSWVSPZPRB-GFCCVEGCSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N2CCC[C@H]2C(C)C)cc[nH+]1 ZINC000346932613 355181338 /nfs/dbraw/zinc/18/13/38/355181338.db2.gz HPOPFSWVSPZPRB-LBPRGKRZSA-N 1 2 233.359 3.225 20 0 BGADLO Cc1ccc2c(c1)CC[C@@H]2Nc1cc(C)[nH+]cn1 ZINC000346932821 355181284 /nfs/dbraw/zinc/18/12/84/355181284.db2.gz HZDOKLVOBSYWRU-AWEZNQCLSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1ccc2c(c1)CC[C@H]2Nc1cc(C)[nH+]cn1 ZINC000346932828 355181322 /nfs/dbraw/zinc/18/13/22/355181322.db2.gz HZDOKLVOBSYWRU-CQSZACIVSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1cc(N[C@@H]2CCc3c2cccc3F)nc[nH+]1 ZINC000346939254 355158453 /nfs/dbraw/zinc/15/84/53/355158453.db2.gz HOTBLWNGGJCHGF-CYBMUJFWSA-N 1 2 243.285 3.024 20 0 BGADLO Cc1cc(N[C@H]2CCc3c2cccc3F)nc[nH+]1 ZINC000346939297 355158440 /nfs/dbraw/zinc/15/84/40/355158440.db2.gz HOTBLWNGGJCHGF-ZDUSSCGKSA-N 1 2 243.285 3.024 20 0 BGADLO CC(C)CC[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000346940349 355159128 /nfs/dbraw/zinc/15/91/28/355159128.db2.gz JBYGECIABMGUHU-GFCCVEGCSA-N 1 2 235.375 3.259 20 0 BGADLO CC(C)CC[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000346940356 534938691 /nfs/dbraw/zinc/93/86/91/534938691.db2.gz JBYGECIABMGUHU-LBPRGKRZSA-N 1 2 235.375 3.259 20 0 BGADLO C[C@@H]1CCC[C@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000346940739 355158999 /nfs/dbraw/zinc/15/89/99/355158999.db2.gz JLLDIIRUVRNYAP-NEPJUHHUSA-N 1 2 245.370 3.014 20 0 BGADLO C[C@H]1CCC[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000346940742 355158893 /nfs/dbraw/zinc/15/88/93/355158893.db2.gz JLLDIIRUVRNYAP-NWDGAFQWSA-N 1 2 245.370 3.014 20 0 BGADLO C[C@H]1CCC[C@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000346940746 355159153 /nfs/dbraw/zinc/15/91/53/355159153.db2.gz JLLDIIRUVRNYAP-RYUDHWBXSA-N 1 2 245.370 3.014 20 0 BGADLO C[C@@H]1CCC[C@@H](CNc2cc[nH+]c(C3CC3)n2)C1 ZINC000346940747 355159266 /nfs/dbraw/zinc/15/92/66/355159266.db2.gz JLLDIIRUVRNYAP-VXGBXAGGSA-N 1 2 245.370 3.014 20 0 BGADLO COC[C@@H](CC(C)C)Nc1ccc(C)[nH+]c1C ZINC000346950607 355163535 /nfs/dbraw/zinc/16/35/35/355163535.db2.gz SPPQOLSEQDVREM-CYBMUJFWSA-N 1 2 236.359 3.171 20 0 BGADLO COC[C@H](CC(C)C)Nc1ccc(C)[nH+]c1C ZINC000346950608 355163326 /nfs/dbraw/zinc/16/33/26/355163326.db2.gz SPPQOLSEQDVREM-ZDUSSCGKSA-N 1 2 236.359 3.171 20 0 BGADLO C[C@H]1CCCC[C@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000346950659 355163092 /nfs/dbraw/zinc/16/30/92/355163092.db2.gz ZVVJLXMRKMUDPX-AAEUAGOBSA-N 1 2 245.370 3.014 20 0 BGADLO C[C@@H]1CCCC[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000346950661 355163578 /nfs/dbraw/zinc/16/35/78/355163578.db2.gz ZVVJLXMRKMUDPX-DGCLKSJQSA-N 1 2 245.370 3.014 20 0 BGADLO C[C@H]1CCCC[C@@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000346950664 355163519 /nfs/dbraw/zinc/16/35/19/355163519.db2.gz ZVVJLXMRKMUDPX-WCQYABFASA-N 1 2 245.370 3.014 20 0 BGADLO C[C@@H]1CCCC[C@H]1CNc1cc[nH+]c(C2CC2)n1 ZINC000346950666 355164337 /nfs/dbraw/zinc/16/43/37/355164337.db2.gz ZVVJLXMRKMUDPX-YPMHNXCESA-N 1 2 245.370 3.014 20 0 BGADLO Cc1ccsc1CNc1cc[nH+]c(C(C)C)n1 ZINC000346953296 355166411 /nfs/dbraw/zinc/16/64/11/355166411.db2.gz WFPYLJVSZMBBIW-UHFFFAOYSA-N 1 2 247.367 3.004 20 0 BGADLO CC1CCC(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000346955893 355167478 /nfs/dbraw/zinc/16/74/78/355167478.db2.gz ZKLQDBFWXGXDQG-UHFFFAOYSA-N 1 2 245.370 3.014 20 0 BGADLO Cc1cc(N(C)C[C@@H](C)c2ccccc2)nc[nH+]1 ZINC000346984192 355185420 /nfs/dbraw/zinc/18/54/20/355185420.db2.gz OIEMZQGGIGEFRI-GFCCVEGCSA-N 1 2 241.338 3.025 20 0 BGADLO Cc1cc(N(C)C[C@H](C)c2ccccc2)nc[nH+]1 ZINC000346984204 355185515 /nfs/dbraw/zinc/18/55/15/355185515.db2.gz OIEMZQGGIGEFRI-LBPRGKRZSA-N 1 2 241.338 3.025 20 0 BGADLO CCN(Cc1c[nH+]ccc1OC)c1ccccc1 ZINC000346991294 538561843 /nfs/dbraw/zinc/56/18/43/538561843.db2.gz HZUDFKVWKAKSLS-UHFFFAOYSA-N 1 2 242.322 3.117 20 0 BGADLO CC(C)c1nc(N2CCC(C)(C)CC2)cc[nH+]1 ZINC000346991405 355190201 /nfs/dbraw/zinc/19/02/01/355190201.db2.gz IHMDHGVGZWLNKO-UHFFFAOYSA-N 1 2 233.359 3.226 20 0 BGADLO CC[C@@H](Cc1ccccc1)Nc1cc(C)[nH+]cn1 ZINC000347003531 355200837 /nfs/dbraw/zinc/20/08/37/355200837.db2.gz ZCSRXLVFMHDFPM-AWEZNQCLSA-N 1 2 241.338 3.218 20 0 BGADLO CC[C@H](Cc1ccccc1)Nc1cc(C)[nH+]cn1 ZINC000347003532 355201969 /nfs/dbraw/zinc/20/19/69/355201969.db2.gz ZCSRXLVFMHDFPM-CQSZACIVSA-N 1 2 241.338 3.218 20 0 BGADLO CC(C)c1nc(N(C)CC(C)(C)C)cc[nH+]1 ZINC000347006275 355202373 /nfs/dbraw/zinc/20/23/73/355202373.db2.gz BXUMGQAUBHSFBA-UHFFFAOYSA-N 1 2 221.348 3.082 20 0 BGADLO CCC1(C)CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000347015398 355206028 /nfs/dbraw/zinc/20/60/28/355206028.db2.gz NPNPXASMSNYVPD-UHFFFAOYSA-N 1 2 245.370 3.371 20 0 BGADLO CC(C)(C)CCCCNc1cc[nH+]c(C2CC2)n1 ZINC000347029927 386221189 /nfs/dbraw/zinc/22/11/89/386221189.db2.gz XUTGYFQQOKAKEW-UHFFFAOYSA-N 1 2 247.386 3.404 20 0 BGADLO Cc1nc(N2CCC(CCC(C)C)CC2)cc[nH+]1 ZINC000347092384 386245563 /nfs/dbraw/zinc/24/55/63/386245563.db2.gz DBCLOSFMDACHEY-UHFFFAOYSA-N 1 2 247.386 3.438 20 0 BGADLO CCC1(CC)[C@@H](Nc2ccc(C)[nH+]c2)C[C@@H]1OC ZINC000347127607 386236752 /nfs/dbraw/zinc/23/67/52/386236752.db2.gz MBZWGFMZOUSWFO-KBPBESRZSA-N 1 2 248.370 3.396 20 0 BGADLO CCC1(CC)[C@H](Nc2ccc(C)[nH+]c2)C[C@@H]1OC ZINC000347127609 386236829 /nfs/dbraw/zinc/23/68/29/386236829.db2.gz MBZWGFMZOUSWFO-KGLIPLIRSA-N 1 2 248.370 3.396 20 0 BGADLO CCC1(CC)[C@H](OC)C[C@@H]1Nc1ccc(C)[nH+]c1 ZINC000347127611 386236793 /nfs/dbraw/zinc/23/67/93/386236793.db2.gz MBZWGFMZOUSWFO-UONOGXRCSA-N 1 2 248.370 3.396 20 0 BGADLO CCC1(CC)[C@H](Nc2ccc(C)[nH+]c2)C[C@H]1OC ZINC000347127614 386236328 /nfs/dbraw/zinc/23/63/28/386236328.db2.gz MBZWGFMZOUSWFO-ZIAGYGMSSA-N 1 2 248.370 3.396 20 0 BGADLO CC(C)c1nc(NCC2(C)CCCC2)cc[nH+]1 ZINC000347135428 386240415 /nfs/dbraw/zinc/24/04/15/386240415.db2.gz TVWFFVKBZSWGAR-UHFFFAOYSA-N 1 2 233.359 3.014 20 0 BGADLO CC(C)c1nc(NC2CCC(C)CC2)cc[nH+]1 ZINC000347157532 386263846 /nfs/dbraw/zinc/26/38/46/386263846.db2.gz SOUFMUVGHRHQQJ-UHFFFAOYSA-N 1 2 233.359 3.013 20 0 BGADLO CCCC1(CNc2cc[nH+]c(C(C)C)n2)CC1 ZINC000347180121 386273051 /nfs/dbraw/zinc/27/30/51/386273051.db2.gz ZTEDGWQOBOPCKD-UHFFFAOYSA-N 1 2 233.359 3.014 20 0 BGADLO CCCC1(CNc2cc[nH+]c3ccncc23)CC1 ZINC000347181779 386273749 /nfs/dbraw/zinc/27/37/49/386273749.db2.gz BYFLMWVJHZLPHL-UHFFFAOYSA-N 1 2 241.338 3.044 20 0 BGADLO Cc1cc(N2CCCC3(CCCCC3)C2)nc[nH+]1 ZINC000347186618 386272960 /nfs/dbraw/zinc/27/29/60/386272960.db2.gz ORJZQOQIRICNCK-UHFFFAOYSA-N 1 2 245.370 3.336 20 0 BGADLO CCCC1(CNc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000347203999 133813006 /nfs/dbraw/zinc/81/30/06/133813006.db2.gz QELVDLYYUXMJKY-UHFFFAOYSA-N 1 2 245.370 3.077 20 0 BGADLO CC(C)(O)CC[N@@H+](CC1CC1)c1ccccc1 ZINC000347298565 386300211 /nfs/dbraw/zinc/30/02/11/386300211.db2.gz NOKJXBZAZPCQAR-UHFFFAOYSA-N 1 2 233.355 3.064 20 0 BGADLO CC(C)(O)CC[N@H+](CC1CC1)c1ccccc1 ZINC000347298565 386300208 /nfs/dbraw/zinc/30/02/08/386300208.db2.gz NOKJXBZAZPCQAR-UHFFFAOYSA-N 1 2 233.355 3.064 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000347339215 386336425 /nfs/dbraw/zinc/33/64/25/386336425.db2.gz BXCIUOCGZQAGCY-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000347339215 386336420 /nfs/dbraw/zinc/33/64/20/386336420.db2.gz BXCIUOCGZQAGCY-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000347339217 386334944 /nfs/dbraw/zinc/33/49/44/386334944.db2.gz BXCIUOCGZQAGCY-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000347339217 386334939 /nfs/dbraw/zinc/33/49/39/386334939.db2.gz BXCIUOCGZQAGCY-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347342347 386338432 /nfs/dbraw/zinc/33/84/32/386338432.db2.gz GQDFDJBKDWIXFL-NOZJJQNGSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347342347 386338428 /nfs/dbraw/zinc/33/84/28/386338428.db2.gz GQDFDJBKDWIXFL-NOZJJQNGSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@](C)(F)C1 ZINC000347342348 386338631 /nfs/dbraw/zinc/33/86/31/386338631.db2.gz GQDFDJBKDWIXFL-RNCFNFMXSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347342348 386338623 /nfs/dbraw/zinc/33/86/23/386338623.db2.gz GQDFDJBKDWIXFL-RNCFNFMXSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@](C)(F)C1 ZINC000347342349 386339543 /nfs/dbraw/zinc/33/95/43/386339543.db2.gz GQDFDJBKDWIXFL-TVQRCGJNSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347342349 386339542 /nfs/dbraw/zinc/33/95/42/386339542.db2.gz GQDFDJBKDWIXFL-TVQRCGJNSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@](C)(F)C1 ZINC000347342350 386338182 /nfs/dbraw/zinc/33/81/82/386338182.db2.gz GQDFDJBKDWIXFL-ZANVPECISA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000347342350 386338177 /nfs/dbraw/zinc/33/81/77/386338177.db2.gz GQDFDJBKDWIXFL-ZANVPECISA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](Cc1ccccc1)C[N@@H+](C)CC(F)F ZINC000347345032 386338448 /nfs/dbraw/zinc/33/84/48/386338448.db2.gz HDHGHNADWFOULT-LLVKDONJSA-N 1 2 227.298 3.062 20 0 BGADLO C[C@H](Cc1ccccc1)C[N@H+](C)CC(F)F ZINC000347345032 386338444 /nfs/dbraw/zinc/33/84/44/386338444.db2.gz HDHGHNADWFOULT-LLVKDONJSA-N 1 2 227.298 3.062 20 0 BGADLO C[C@@H](Cc1ccccc1)C[N@@H+](C)CC(F)F ZINC000347345037 386338411 /nfs/dbraw/zinc/33/84/11/386338411.db2.gz HDHGHNADWFOULT-NSHDSACASA-N 1 2 227.298 3.062 20 0 BGADLO C[C@@H](Cc1ccccc1)C[N@H+](C)CC(F)F ZINC000347345037 386338405 /nfs/dbraw/zinc/33/84/05/386338405.db2.gz HDHGHNADWFOULT-NSHDSACASA-N 1 2 227.298 3.062 20 0 BGADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@](C)(F)C1 ZINC000347346591 386341985 /nfs/dbraw/zinc/34/19/85/386341985.db2.gz HJDSYKMHFFGDDX-NOZJJQNGSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347346591 386341979 /nfs/dbraw/zinc/34/19/79/386341979.db2.gz HJDSYKMHFFGDDX-NOZJJQNGSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@](C)(F)C1 ZINC000347346593 386340182 /nfs/dbraw/zinc/34/01/82/386340182.db2.gz HJDSYKMHFFGDDX-RNCFNFMXSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@](C)(F)C1 ZINC000347346593 386340177 /nfs/dbraw/zinc/34/01/77/386340177.db2.gz HJDSYKMHFFGDDX-RNCFNFMXSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@](C)(F)C1 ZINC000347346595 386340239 /nfs/dbraw/zinc/34/02/39/386340239.db2.gz HJDSYKMHFFGDDX-TVQRCGJNSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347346595 386340236 /nfs/dbraw/zinc/34/02/36/386340236.db2.gz HJDSYKMHFFGDDX-TVQRCGJNSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@](C)(F)C1 ZINC000347346597 386341104 /nfs/dbraw/zinc/34/11/04/386341104.db2.gz HJDSYKMHFFGDDX-ZANVPECISA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@](C)(F)C1 ZINC000347346597 386341102 /nfs/dbraw/zinc/34/11/02/386341102.db2.gz HJDSYKMHFFGDDX-ZANVPECISA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347376544 386372807 /nfs/dbraw/zinc/37/28/07/386372807.db2.gz LVHWUOCIEVSJDV-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347376544 386372805 /nfs/dbraw/zinc/37/28/05/386372805.db2.gz LVHWUOCIEVSJDV-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347376546 386372453 /nfs/dbraw/zinc/37/24/53/386372453.db2.gz LVHWUOCIEVSJDV-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000347376546 386372450 /nfs/dbraw/zinc/37/24/50/386372450.db2.gz LVHWUOCIEVSJDV-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@](C)(F)C1 ZINC000347383105 386372954 /nfs/dbraw/zinc/37/29/54/386372954.db2.gz NVEXVFXLVQAFMG-NOZJJQNGSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347383105 386372950 /nfs/dbraw/zinc/37/29/50/386372950.db2.gz NVEXVFXLVQAFMG-NOZJJQNGSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@](C)(F)C1 ZINC000347383107 386373334 /nfs/dbraw/zinc/37/33/34/386373334.db2.gz NVEXVFXLVQAFMG-RNCFNFMXSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@](C)(F)C1 ZINC000347383107 386373331 /nfs/dbraw/zinc/37/33/31/386373331.db2.gz NVEXVFXLVQAFMG-RNCFNFMXSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@](C)(F)C1 ZINC000347383108 386373854 /nfs/dbraw/zinc/37/38/54/386373854.db2.gz NVEXVFXLVQAFMG-TVQRCGJNSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347383108 386373851 /nfs/dbraw/zinc/37/38/51/386373851.db2.gz NVEXVFXLVQAFMG-TVQRCGJNSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@](C)(F)C1 ZINC000347383109 386373274 /nfs/dbraw/zinc/37/32/74/386373274.db2.gz NVEXVFXLVQAFMG-ZANVPECISA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@](C)(F)C1 ZINC000347383109 386373269 /nfs/dbraw/zinc/37/32/69/386373269.db2.gz NVEXVFXLVQAFMG-ZANVPECISA-N 1 2 243.272 3.460 20 0 BGADLO CCCc1nc(C[N@H+]2CC[C@@](C)(F)C2)cs1 ZINC000347390150 386377411 /nfs/dbraw/zinc/37/74/11/386377411.db2.gz SCSAVUOIFMSXFE-GFCCVEGCSA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1nc(C[N@@H+]2CC[C@@](C)(F)C2)cs1 ZINC000347390150 386377408 /nfs/dbraw/zinc/37/74/08/386377408.db2.gz SCSAVUOIFMSXFE-GFCCVEGCSA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1nc(C[N@H+]2CC[C@](C)(F)C2)cs1 ZINC000347390155 386375780 /nfs/dbraw/zinc/37/57/80/386375780.db2.gz SCSAVUOIFMSXFE-LBPRGKRZSA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1nc(C[N@@H+]2CC[C@](C)(F)C2)cs1 ZINC000347390155 386375775 /nfs/dbraw/zinc/37/57/75/386375775.db2.gz SCSAVUOIFMSXFE-LBPRGKRZSA-N 1 2 242.363 3.030 20 0 BGADLO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@](C)(F)C1 ZINC000347392017 386379943 /nfs/dbraw/zinc/37/99/43/386379943.db2.gz PJGVIXGPQWTIMN-NOZJJQNGSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347392017 386379937 /nfs/dbraw/zinc/37/99/37/386379937.db2.gz PJGVIXGPQWTIMN-NOZJJQNGSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@](C)(F)C1 ZINC000347392019 386380619 /nfs/dbraw/zinc/38/06/19/386380619.db2.gz PJGVIXGPQWTIMN-RNCFNFMXSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@](C)(F)C1 ZINC000347392019 386380615 /nfs/dbraw/zinc/38/06/15/386380615.db2.gz PJGVIXGPQWTIMN-RNCFNFMXSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@](C)(F)C1 ZINC000347392020 386379032 /nfs/dbraw/zinc/37/90/32/386379032.db2.gz PJGVIXGPQWTIMN-TVQRCGJNSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@](C)(F)C1 ZINC000347392020 386379027 /nfs/dbraw/zinc/37/90/27/386379027.db2.gz PJGVIXGPQWTIMN-TVQRCGJNSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@](C)(F)C1 ZINC000347392021 386379207 /nfs/dbraw/zinc/37/92/07/386379207.db2.gz PJGVIXGPQWTIMN-ZANVPECISA-N 1 2 243.272 3.460 20 0 BGADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@](C)(F)C1 ZINC000347392021 386379203 /nfs/dbraw/zinc/37/92/03/386379203.db2.gz PJGVIXGPQWTIMN-ZANVPECISA-N 1 2 243.272 3.460 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000347393636 386382969 /nfs/dbraw/zinc/38/29/69/386382969.db2.gz VDNCKJZHPCBNPT-JTQLQIEISA-N 1 2 233.739 3.335 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000347393636 386382964 /nfs/dbraw/zinc/38/29/64/386382964.db2.gz VDNCKJZHPCBNPT-JTQLQIEISA-N 1 2 233.739 3.335 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000347393637 386381561 /nfs/dbraw/zinc/38/15/61/386381561.db2.gz VDNCKJZHPCBNPT-SNVBAGLBSA-N 1 2 233.739 3.335 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000347393637 386381556 /nfs/dbraw/zinc/38/15/56/386381556.db2.gz VDNCKJZHPCBNPT-SNVBAGLBSA-N 1 2 233.739 3.335 20 0 BGADLO CC(C)c1nc(C[N@H+]2CC[C@@](C)(F)C2)cs1 ZINC000347393677 386382309 /nfs/dbraw/zinc/38/23/09/386382309.db2.gz VGJADOWVYWOTBA-GFCCVEGCSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1nc(C[N@@H+]2CC[C@@](C)(F)C2)cs1 ZINC000347393677 386382307 /nfs/dbraw/zinc/38/23/07/386382307.db2.gz VGJADOWVYWOTBA-GFCCVEGCSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1nc(C[N@H+]2CC[C@](C)(F)C2)cs1 ZINC000347393679 386381427 /nfs/dbraw/zinc/38/14/27/386381427.db2.gz VGJADOWVYWOTBA-LBPRGKRZSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1nc(C[N@@H+]2CC[C@](C)(F)C2)cs1 ZINC000347393679 386381421 /nfs/dbraw/zinc/38/14/21/386381421.db2.gz VGJADOWVYWOTBA-LBPRGKRZSA-N 1 2 242.363 3.200 20 0 BGADLO CC[C@H](F)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000347439836 386404257 /nfs/dbraw/zinc/40/42/57/386404257.db2.gz BZMNMKIGRRUQSZ-JTQLQIEISA-N 1 2 227.710 3.404 20 0 BGADLO CC[C@H](F)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000347439836 386404255 /nfs/dbraw/zinc/40/42/55/386404255.db2.gz BZMNMKIGRRUQSZ-JTQLQIEISA-N 1 2 227.710 3.404 20 0 BGADLO CC[C@@H](F)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000347439838 386403923 /nfs/dbraw/zinc/40/39/23/386403923.db2.gz BZMNMKIGRRUQSZ-SNVBAGLBSA-N 1 2 227.710 3.404 20 0 BGADLO CC[C@@H](F)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000347439838 386403918 /nfs/dbraw/zinc/40/39/18/386403918.db2.gz BZMNMKIGRRUQSZ-SNVBAGLBSA-N 1 2 227.710 3.404 20 0 BGADLO FC(F)C[N@@H+](CC12CCC(CC1)C2)C1CC1 ZINC000347732720 136004394 /nfs/dbraw/zinc/00/43/94/136004394.db2.gz KFUPRIDODCVZES-UHFFFAOYSA-N 1 2 229.314 3.296 20 0 BGADLO FC(F)C[N@H+](CC12CCC(CC1)C2)C1CC1 ZINC000347732720 136004393 /nfs/dbraw/zinc/00/43/93/136004393.db2.gz KFUPRIDODCVZES-UHFFFAOYSA-N 1 2 229.314 3.296 20 0 BGADLO CCc1ccc(C[NH+]2Cc3ccccc3C2)cn1 ZINC000347784009 136009680 /nfs/dbraw/zinc/00/96/80/136009680.db2.gz LMWBQSGYFURTOU-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@H](C)CCC(C)(C)C ZINC000347851759 136012259 /nfs/dbraw/zinc/01/22/59/136012259.db2.gz HPNRWJIDSKZIDJ-LLVKDONJSA-N 1 2 248.370 3.213 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)[C@@H](C)CCC(C)(C)C ZINC000347851761 136012558 /nfs/dbraw/zinc/01/25/58/136012558.db2.gz HPNRWJIDSKZIDJ-NSHDSACASA-N 1 2 248.370 3.213 20 0 BGADLO COC1CCC(CCNc2cccc[nH+]2)CC1 ZINC000347873000 136017067 /nfs/dbraw/zinc/01/70/67/136017067.db2.gz DYJCNCUTQNLIMT-UHFFFAOYSA-N 1 2 234.343 3.089 20 0 BGADLO Cc1cc(OC[C@H]2CCCO2)c2ccccc2[nH+]1 ZINC000347873447 136017045 /nfs/dbraw/zinc/01/70/45/136017045.db2.gz ITOZTHPOGUJAOA-GFCCVEGCSA-N 1 2 243.306 3.101 20 0 BGADLO Cc1cc(OC[C@@H]2CCCO2)c2ccccc2[nH+]1 ZINC000347873455 136016834 /nfs/dbraw/zinc/01/68/34/136016834.db2.gz ITOZTHPOGUJAOA-LBPRGKRZSA-N 1 2 243.306 3.101 20 0 BGADLO CC(C)OCCNc1[nH+]ccc2ccc(F)cc21 ZINC000347877079 136016861 /nfs/dbraw/zinc/01/68/61/136016861.db2.gz YWLBAJGMTCZJPO-UHFFFAOYSA-N 1 2 248.301 3.211 20 0 BGADLO C[N@@H+](Cc1ccon1)Cc1ccc2occc2c1 ZINC000347882030 136015048 /nfs/dbraw/zinc/01/50/48/136015048.db2.gz PEPXSGYEAKULAV-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO C[N@H+](Cc1ccon1)Cc1ccc2occc2c1 ZINC000347882030 136015047 /nfs/dbraw/zinc/01/50/47/136015047.db2.gz PEPXSGYEAKULAV-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO Cn1c[nH+]cc1CNc1cccc2ccsc21 ZINC000347884841 383875863 /nfs/dbraw/zinc/87/58/63/383875863.db2.gz FBASZNSLPHXBKC-UHFFFAOYSA-N 1 2 243.335 3.247 20 0 BGADLO Cn1cc[nH+]c1CNc1cccc2ccsc21 ZINC000347892667 388524877 /nfs/dbraw/zinc/52/48/77/388524877.db2.gz AVIJDGDLVBMHFI-UHFFFAOYSA-N 1 2 243.335 3.247 20 0 BGADLO Cc1cc(NC(=O)[C@H](C)CCC(C)(C)C)cc[nH+]1 ZINC000347910885 136015917 /nfs/dbraw/zinc/01/59/17/136015917.db2.gz NUNXQNHHLVPNFH-LLVKDONJSA-N 1 2 248.370 3.213 20 0 BGADLO Cc1cc(NC(=O)[C@@H](C)CCC(C)(C)C)cc[nH+]1 ZINC000347910886 136016095 /nfs/dbraw/zinc/01/60/95/136016095.db2.gz NUNXQNHHLVPNFH-NSHDSACASA-N 1 2 248.370 3.213 20 0 BGADLO C[N@H+](Cc1ccoc1)Cc1nc2ccccc2o1 ZINC000348064843 136025656 /nfs/dbraw/zinc/02/56/56/136025656.db2.gz WKIXGMWLVFLFOS-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO C[N@@H+](Cc1ccoc1)Cc1nc2ccccc2o1 ZINC000348064843 136025655 /nfs/dbraw/zinc/02/56/55/136025655.db2.gz WKIXGMWLVFLFOS-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cc(C)ccn2)o1 ZINC000348111044 136037550 /nfs/dbraw/zinc/03/75/50/136037550.db2.gz HFJHSAJNLOPQPA-NEPJUHHUSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccn2)o1 ZINC000348111046 136037140 /nfs/dbraw/zinc/03/71/40/136037140.db2.gz HFJHSAJNLOPQPA-NWDGAFQWSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccn2)o1 ZINC000348111047 136037285 /nfs/dbraw/zinc/03/72/85/136037285.db2.gz HFJHSAJNLOPQPA-RYUDHWBXSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccn2)o1 ZINC000348111049 136037173 /nfs/dbraw/zinc/03/71/73/136037173.db2.gz HFJHSAJNLOPQPA-VXGBXAGGSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1noc([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)n1 ZINC000348115990 136037751 /nfs/dbraw/zinc/03/77/51/136037751.db2.gz VIMJQQDYHRSZNQ-GHMZBOCLSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1noc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2)n1 ZINC000348115991 136037795 /nfs/dbraw/zinc/03/77/95/136037795.db2.gz VIMJQQDYHRSZNQ-MNOVXSKESA-N 1 2 245.326 3.098 20 0 BGADLO Cc1noc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)n1 ZINC000348115993 136037776 /nfs/dbraw/zinc/03/77/76/136037776.db2.gz VIMJQQDYHRSZNQ-QWRGUYRKSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)n1 ZINC000348115994 136037883 /nfs/dbraw/zinc/03/78/83/136037883.db2.gz VIMJQQDYHRSZNQ-WDEREUQCSA-N 1 2 245.326 3.098 20 0 BGADLO FC1=CCC[N@@H+](Cc2ccc3occc3c2)C1 ZINC000348134313 136038622 /nfs/dbraw/zinc/03/86/22/136038622.db2.gz OKWNQDVGPKPBPN-UHFFFAOYSA-N 1 2 231.270 3.492 20 0 BGADLO FC1=CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000348134313 136038621 /nfs/dbraw/zinc/03/86/21/136038621.db2.gz OKWNQDVGPKPBPN-UHFFFAOYSA-N 1 2 231.270 3.492 20 0 BGADLO CCC1CCC(N(C)c2cc(C)[nH+]cn2)CC1 ZINC000348168061 136042413 /nfs/dbraw/zinc/04/24/13/136042413.db2.gz HHMYHLZLKHXKCU-UHFFFAOYSA-N 1 2 233.359 3.190 20 0 BGADLO CCC1CCC(N(C)c2cc[nH+]c(C)n2)CC1 ZINC000348182816 136043845 /nfs/dbraw/zinc/04/38/45/136043845.db2.gz RTINOSYOIBINMS-UHFFFAOYSA-N 1 2 233.359 3.190 20 0 BGADLO CSC1(CNc2c[nH+]c3c(c2)CCCC3)CC1 ZINC000348227456 136048064 /nfs/dbraw/zinc/04/80/64/136048064.db2.gz DPQRWTJKCBPDQY-UHFFFAOYSA-N 1 2 248.395 3.268 20 0 BGADLO CC[C@@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000348362535 535820821 /nfs/dbraw/zinc/82/08/21/535820821.db2.gz JNCMNIKDAQNCIL-GFCCVEGCSA-N 1 2 233.359 3.287 20 0 BGADLO CC[C@H]1CCCN1c1cc(C)[nH+]c(C(C)C)n1 ZINC000348362998 536072755 /nfs/dbraw/zinc/07/27/55/536072755.db2.gz JNCMNIKDAQNCIL-LBPRGKRZSA-N 1 2 233.359 3.287 20 0 BGADLO Cc1ccc([C@H]([NH2+]CCF)c2ccccn2)cc1 ZINC000348377472 136073638 /nfs/dbraw/zinc/07/36/38/136073638.db2.gz RVFCCAYMYAYBFD-HNNXBMFYSA-N 1 2 244.313 3.039 20 0 BGADLO Cc1ccc([C@@H]([NH2+]CCF)c2ccccn2)cc1 ZINC000348377473 136073885 /nfs/dbraw/zinc/07/38/85/136073885.db2.gz RVFCCAYMYAYBFD-OAHLLOKOSA-N 1 2 244.313 3.039 20 0 BGADLO CC[C@H]1CC[C@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000348385509 536101280 /nfs/dbraw/zinc/10/12/80/536101280.db2.gz FIQVCXPKDTURQV-GXTWGEPZSA-N 1 2 245.370 3.282 20 0 BGADLO CC[C@H]1CC[C@@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000348385511 136078967 /nfs/dbraw/zinc/07/89/67/136078967.db2.gz FIQVCXPKDTURQV-JSGCOSHPSA-N 1 2 245.370 3.282 20 0 BGADLO CC[C@@H]1CC[C@@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000348385513 136079284 /nfs/dbraw/zinc/07/92/84/136079284.db2.gz FIQVCXPKDTURQV-OCCSQVGLSA-N 1 2 245.370 3.282 20 0 BGADLO CC[C@@H]1CC[C@H]1Nc1ccc(N2CCCC2)c[nH+]1 ZINC000348385514 535824868 /nfs/dbraw/zinc/82/48/68/535824868.db2.gz FIQVCXPKDTURQV-TZMCWYRMSA-N 1 2 245.370 3.282 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)no1 ZINC000348480191 136079976 /nfs/dbraw/zinc/07/99/76/136079976.db2.gz CXAUZFQQADBNPW-GHMZBOCLSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2)no1 ZINC000348480192 136080052 /nfs/dbraw/zinc/08/00/52/136080052.db2.gz CXAUZFQQADBNPW-MNOVXSKESA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)no1 ZINC000348480193 136080038 /nfs/dbraw/zinc/08/00/38/136080038.db2.gz CXAUZFQQADBNPW-QWRGUYRKSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)no1 ZINC000348480194 136080166 /nfs/dbraw/zinc/08/01/66/136080166.db2.gz CXAUZFQQADBNPW-WDEREUQCSA-N 1 2 245.326 3.098 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1noc(C)n1)c1ccccc1 ZINC000348484008 136080406 /nfs/dbraw/zinc/08/04/06/136080406.db2.gz QHPYTIMRTJYYAH-GWCFXTLKSA-N 1 2 245.326 3.180 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1noc(C)n1)c1ccccc1 ZINC000348484012 136080367 /nfs/dbraw/zinc/08/03/67/136080367.db2.gz QHPYTIMRTJYYAH-GXFFZTMASA-N 1 2 245.326 3.180 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1noc(C)n1)c1ccccc1 ZINC000348484015 136080656 /nfs/dbraw/zinc/08/06/56/136080656.db2.gz QHPYTIMRTJYYAH-MFKMUULPSA-N 1 2 245.326 3.180 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1noc(C)n1)c1ccccc1 ZINC000348484017 535808913 /nfs/dbraw/zinc/80/89/13/535808913.db2.gz QHPYTIMRTJYYAH-ZWNOBZJWSA-N 1 2 245.326 3.180 20 0 BGADLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000348529177 386751010 /nfs/dbraw/zinc/75/10/10/386751010.db2.gz DHWPLPVRQOISQV-GHMZBOCLSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000348529178 386751666 /nfs/dbraw/zinc/75/16/66/386751666.db2.gz DHWPLPVRQOISQV-MNOVXSKESA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000348529179 386749820 /nfs/dbraw/zinc/74/98/20/386749820.db2.gz DHWPLPVRQOISQV-QWRGUYRKSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000348529180 386751345 /nfs/dbraw/zinc/75/13/45/386751345.db2.gz DHWPLPVRQOISQV-WDEREUQCSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCCC[C@H]2C)[nH+]1 ZINC000348727919 136294777 /nfs/dbraw/zinc/29/47/77/136294777.db2.gz IFUCLHAYHBSYTC-BXKDBHETSA-N 1 2 244.342 3.257 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@H]2CCCC[C@@H]2C)[nH+]1 ZINC000348727922 136294928 /nfs/dbraw/zinc/29/49/28/136294928.db2.gz IFUCLHAYHBSYTC-CABZTGNLSA-N 1 2 244.342 3.257 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCCC[C@@H]2C)[nH+]1 ZINC000348727923 136294908 /nfs/dbraw/zinc/29/49/08/136294908.db2.gz IFUCLHAYHBSYTC-JOYOIKCWSA-N 1 2 244.342 3.257 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@H]2CCCC[C@H]2C)[nH+]1 ZINC000348727924 136294835 /nfs/dbraw/zinc/29/48/35/136294835.db2.gz IFUCLHAYHBSYTC-SKDRFNHKSA-N 1 2 244.342 3.257 20 0 BGADLO Cc1nc(N(C)Cc2cccs2)c(C)c(C)[nH+]1 ZINC000348728124 136294945 /nfs/dbraw/zinc/29/49/45/136294945.db2.gz JFAXZHMQGHTAAI-UHFFFAOYSA-N 1 2 247.367 3.100 20 0 BGADLO Cc1nc2[nH]ccc2c(NC2CCCCCC2)[nH+]1 ZINC000348741368 136237124 /nfs/dbraw/zinc/23/71/24/136237124.db2.gz HRLUVMROKXDYPG-UHFFFAOYSA-N 1 2 244.342 3.401 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC[C@H](C)C2)[nH+]1 ZINC000348742228 136236938 /nfs/dbraw/zinc/23/69/38/136236938.db2.gz JKXVDJKAIHVVSL-GXSJLCMTSA-N 1 2 244.342 3.257 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000348742229 136237351 /nfs/dbraw/zinc/23/73/51/136237351.db2.gz JKXVDJKAIHVVSL-KOLCDFICSA-N 1 2 244.342 3.257 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000348742230 136237171 /nfs/dbraw/zinc/23/71/71/136237171.db2.gz JKXVDJKAIHVVSL-MWLCHTKSSA-N 1 2 244.342 3.257 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC[C@H](C)C2)[nH+]1 ZINC000348742231 136237166 /nfs/dbraw/zinc/23/71/66/136237166.db2.gz JKXVDJKAIHVVSL-ONGXEEELSA-N 1 2 244.342 3.257 20 0 BGADLO C[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)c2ccccc21 ZINC000348803313 136301553 /nfs/dbraw/zinc/30/15/53/136301553.db2.gz PATYBAIYEOEDSY-KBPBESRZSA-N 1 2 245.366 3.427 20 0 BGADLO C[C@H]1CCC[N@H+](C[C@@H]2CCOC2)c2ccccc21 ZINC000348803313 136301552 /nfs/dbraw/zinc/30/15/52/136301552.db2.gz PATYBAIYEOEDSY-KBPBESRZSA-N 1 2 245.366 3.427 20 0 BGADLO C[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)c2ccccc21 ZINC000348803315 136301760 /nfs/dbraw/zinc/30/17/60/136301760.db2.gz PATYBAIYEOEDSY-KGLIPLIRSA-N 1 2 245.366 3.427 20 0 BGADLO C[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)c2ccccc21 ZINC000348803315 136301759 /nfs/dbraw/zinc/30/17/59/136301759.db2.gz PATYBAIYEOEDSY-KGLIPLIRSA-N 1 2 245.366 3.427 20 0 BGADLO C[C@H]1CCC[N@@H+](C[C@H]2CCOC2)c2ccccc21 ZINC000348803317 136301355 /nfs/dbraw/zinc/30/13/55/136301355.db2.gz PATYBAIYEOEDSY-UONOGXRCSA-N 1 2 245.366 3.427 20 0 BGADLO C[C@H]1CCC[N@H+](C[C@H]2CCOC2)c2ccccc21 ZINC000348803317 136301354 /nfs/dbraw/zinc/30/13/54/136301354.db2.gz PATYBAIYEOEDSY-UONOGXRCSA-N 1 2 245.366 3.427 20 0 BGADLO C[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)c2ccccc21 ZINC000348803319 136301713 /nfs/dbraw/zinc/30/17/13/136301713.db2.gz PATYBAIYEOEDSY-ZIAGYGMSSA-N 1 2 245.366 3.427 20 0 BGADLO C[C@@H]1CCC[N@H+](C[C@H]2CCOC2)c2ccccc21 ZINC000348803319 136301712 /nfs/dbraw/zinc/30/17/12/136301712.db2.gz PATYBAIYEOEDSY-ZIAGYGMSSA-N 1 2 245.366 3.427 20 0 BGADLO CCCCCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000348824889 136241615 /nfs/dbraw/zinc/24/16/15/136241615.db2.gz BPBUWORIVHBAGX-UHFFFAOYSA-N 1 2 245.326 3.390 20 0 BGADLO CC[N@H+](Cc1c(C)cccc1C)CC(F)F ZINC000348830381 136303563 /nfs/dbraw/zinc/30/35/63/136303563.db2.gz CPKSGRDSRSBGBJ-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO CC[N@@H+](Cc1c(C)cccc1C)CC(F)F ZINC000348830381 136303562 /nfs/dbraw/zinc/30/35/62/136303562.db2.gz CPKSGRDSRSBGBJ-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO Cc1ccc(C[N@H+]2CCC[C@H]2C(F)F)s1 ZINC000348835760 136301614 /nfs/dbraw/zinc/30/16/14/136301614.db2.gz UKRSLSGCUJDIFV-JTQLQIEISA-N 1 2 231.311 3.286 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(F)F)s1 ZINC000348835760 136301613 /nfs/dbraw/zinc/30/16/13/136301613.db2.gz UKRSLSGCUJDIFV-JTQLQIEISA-N 1 2 231.311 3.286 20 0 BGADLO Cc1ccc(C[N@H+]2CCC[C@@H]2C(F)F)s1 ZINC000348835761 136301451 /nfs/dbraw/zinc/30/14/51/136301451.db2.gz UKRSLSGCUJDIFV-SNVBAGLBSA-N 1 2 231.311 3.286 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(F)F)s1 ZINC000348835761 136301450 /nfs/dbraw/zinc/30/14/50/136301450.db2.gz UKRSLSGCUJDIFV-SNVBAGLBSA-N 1 2 231.311 3.286 20 0 BGADLO Cc1ccsc1C[N@H+]1CCC[C@@H]1C(F)F ZINC000348851370 136242371 /nfs/dbraw/zinc/24/23/71/136242371.db2.gz ZCHSYHICXGICCS-SECBINFHSA-N 1 2 231.311 3.286 20 0 BGADLO Cc1ccsc1C[N@@H+]1CCC[C@@H]1C(F)F ZINC000348851370 136242370 /nfs/dbraw/zinc/24/23/70/136242370.db2.gz ZCHSYHICXGICCS-SECBINFHSA-N 1 2 231.311 3.286 20 0 BGADLO Cc1ccsc1C[N@H+]1CCC[C@H]1C(F)F ZINC000348851371 136242539 /nfs/dbraw/zinc/24/25/39/136242539.db2.gz ZCHSYHICXGICCS-VIFPVBQESA-N 1 2 231.311 3.286 20 0 BGADLO Cc1ccsc1C[N@@H+]1CCC[C@H]1C(F)F ZINC000348851371 136242538 /nfs/dbraw/zinc/24/25/38/136242538.db2.gz ZCHSYHICXGICCS-VIFPVBQESA-N 1 2 231.311 3.286 20 0 BGADLO C[C@H](c1ccccc1)[N@@H+](Cc1cocn1)C1CC1 ZINC000348879935 136242912 /nfs/dbraw/zinc/24/29/12/136242912.db2.gz UPIPVSNXLUWPGN-GFCCVEGCSA-N 1 2 242.322 3.400 20 0 BGADLO C[C@H](c1ccccc1)[N@H+](Cc1cocn1)C1CC1 ZINC000348879935 136242911 /nfs/dbraw/zinc/24/29/11/136242911.db2.gz UPIPVSNXLUWPGN-GFCCVEGCSA-N 1 2 242.322 3.400 20 0 BGADLO C[C@@H](c1ccccc1)[N@@H+](Cc1cocn1)C1CC1 ZINC000348879936 136243055 /nfs/dbraw/zinc/24/30/55/136243055.db2.gz UPIPVSNXLUWPGN-LBPRGKRZSA-N 1 2 242.322 3.400 20 0 BGADLO C[C@@H](c1ccccc1)[N@H+](Cc1cocn1)C1CC1 ZINC000348879936 136243054 /nfs/dbraw/zinc/24/30/54/136243054.db2.gz UPIPVSNXLUWPGN-LBPRGKRZSA-N 1 2 242.322 3.400 20 0 BGADLO CSc1ccccc1C[NH2+][C@@H](C)c1ccon1 ZINC000349196074 136330900 /nfs/dbraw/zinc/33/09/00/136330900.db2.gz GHCSIPREKTZEKJ-JTQLQIEISA-N 1 2 248.351 3.247 20 0 BGADLO CSc1ccccc1C[NH2+][C@H](C)c1ccon1 ZINC000349196075 136330846 /nfs/dbraw/zinc/33/08/46/136330846.db2.gz GHCSIPREKTZEKJ-SNVBAGLBSA-N 1 2 248.351 3.247 20 0 BGADLO CCc1[nH+]c(C)ccc1OCC[C@@H](C)F ZINC000349234782 136742695 /nfs/dbraw/zinc/74/26/95/136742695.db2.gz QHYFRERCMUFHNH-SECBINFHSA-N 1 2 211.280 3.079 20 0 BGADLO CCc1[nH+]c(C)ccc1OCC[C@H](C)F ZINC000349234784 355372158 /nfs/dbraw/zinc/37/21/58/355372158.db2.gz QHYFRERCMUFHNH-VIFPVBQESA-N 1 2 211.280 3.079 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccon1 ZINC000349240359 355373841 /nfs/dbraw/zinc/37/38/41/355373841.db2.gz LZWZREYUKKEHHQ-LKFCYVNXSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccon1 ZINC000349240366 355373998 /nfs/dbraw/zinc/37/39/98/355373998.db2.gz LZWZREYUKKEHHQ-OTYXRUKQSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ccon1 ZINC000349240374 355374072 /nfs/dbraw/zinc/37/40/72/355374072.db2.gz LZWZREYUKKEHHQ-XPTSAGLGSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ccon1 ZINC000349240379 355374080 /nfs/dbraw/zinc/37/40/80/355374080.db2.gz LZWZREYUKKEHHQ-YMTOWFKASA-N 1 2 246.285 3.152 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1ccon1 ZINC000349240427 355374446 /nfs/dbraw/zinc/37/44/46/355374446.db2.gz MFKDFUAYKWFHDF-NXEZZACHSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1ccon1 ZINC000349240430 355374251 /nfs/dbraw/zinc/37/42/51/355374251.db2.gz MFKDFUAYKWFHDF-UWVGGRQHSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1ccon1 ZINC000349240436 355374051 /nfs/dbraw/zinc/37/40/51/355374051.db2.gz MFKDFUAYKWFHDF-VHSXEESVSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccccc1F ZINC000349240442 355374005 /nfs/dbraw/zinc/37/40/05/355374005.db2.gz MFKDFUAYKWFHDF-ZJUUUORDSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccon1 ZINC000349240876 355373955 /nfs/dbraw/zinc/37/39/55/355373955.db2.gz MSUUXRFPHIQQOA-NXEZZACHSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccon1 ZINC000349240879 355374327 /nfs/dbraw/zinc/37/43/27/355374327.db2.gz MSUUXRFPHIQQOA-UWVGGRQHSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccon1 ZINC000349240881 355373789 /nfs/dbraw/zinc/37/37/89/355373789.db2.gz MSUUXRFPHIQQOA-VHSXEESVSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1cccc(F)c1 ZINC000349240883 355374311 /nfs/dbraw/zinc/37/43/11/355374311.db2.gz MSUUXRFPHIQQOA-ZJUUUORDSA-N 1 2 234.274 3.226 20 0 BGADLO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccon2)c1 ZINC000349246599 136332591 /nfs/dbraw/zinc/33/25/91/136332591.db2.gz TUSVHLFSROCNAI-GHMZBOCLSA-N 1 2 246.310 3.095 20 0 BGADLO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccon2)c1 ZINC000349246601 136332811 /nfs/dbraw/zinc/33/28/11/136332811.db2.gz TUSVHLFSROCNAI-MNOVXSKESA-N 1 2 246.310 3.095 20 0 BGADLO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccon2)c1 ZINC000349246605 136332828 /nfs/dbraw/zinc/33/28/28/136332828.db2.gz TUSVHLFSROCNAI-QWRGUYRKSA-N 1 2 246.310 3.095 20 0 BGADLO COc1cccc([C@H](C)[NH2+][C@H](C)c2ccon2)c1 ZINC000349246608 136332764 /nfs/dbraw/zinc/33/27/64/136332764.db2.gz TUSVHLFSROCNAI-WDEREUQCSA-N 1 2 246.310 3.095 20 0 BGADLO CSc1ccc(C[NH2+][C@@H](C)c2ccon2)cc1 ZINC000349248011 136333208 /nfs/dbraw/zinc/33/32/08/136333208.db2.gz VGJNLNUXBHEGFS-JTQLQIEISA-N 1 2 248.351 3.247 20 0 BGADLO CSc1ccc(C[NH2+][C@H](C)c2ccon2)cc1 ZINC000349248012 136333265 /nfs/dbraw/zinc/33/32/65/136333265.db2.gz VGJNLNUXBHEGFS-SNVBAGLBSA-N 1 2 248.351 3.247 20 0 BGADLO C[C@H]([NH2+]Cc1cc2ccccc2o1)c1ccon1 ZINC000349248564 136333087 /nfs/dbraw/zinc/33/30/87/136333087.db2.gz WDLSSOBKTHZHRQ-JTQLQIEISA-N 1 2 242.278 3.272 20 0 BGADLO C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1ccon1 ZINC000349248565 136333282 /nfs/dbraw/zinc/33/32/82/136333282.db2.gz WDLSSOBKTHZHRQ-SNVBAGLBSA-N 1 2 242.278 3.272 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1)c1ccon1 ZINC000349249842 136333166 /nfs/dbraw/zinc/33/31/66/136333166.db2.gz YBKRWVDECGQUKO-NXEZZACHSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccon1 ZINC000349249843 136332948 /nfs/dbraw/zinc/33/29/48/136332948.db2.gz YBKRWVDECGQUKO-UWVGGRQHSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1)c1ccon1 ZINC000349249844 136332890 /nfs/dbraw/zinc/33/28/90/136332890.db2.gz YBKRWVDECGQUKO-VHSXEESVSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccc(F)cc1 ZINC000349249845 136333295 /nfs/dbraw/zinc/33/32/95/136333295.db2.gz YBKRWVDECGQUKO-ZJUUUORDSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccon1 ZINC000349251441 136333219 /nfs/dbraw/zinc/33/32/19/136333219.db2.gz RHBMFLMRRUNVSU-LKFCYVNXSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccon1 ZINC000349251442 136333133 /nfs/dbraw/zinc/33/31/33/136333133.db2.gz RHBMFLMRRUNVSU-OTYXRUKQSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ccon1 ZINC000349251443 136333147 /nfs/dbraw/zinc/33/31/47/136333147.db2.gz RHBMFLMRRUNVSU-XPTSAGLGSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ccon1 ZINC000349251444 136332988 /nfs/dbraw/zinc/33/29/88/136332988.db2.gz RHBMFLMRRUNVSU-YMTOWFKASA-N 1 2 246.285 3.152 20 0 BGADLO Cc1cc(N(C)[C@H](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000349382231 136343426 /nfs/dbraw/zinc/34/34/26/136343426.db2.gz RYLNULPIQXMZTP-GFCCVEGCSA-N 1 2 235.375 3.389 20 0 BGADLO Cc1cc(N(C)[C@@H](C)C(C)C)nc(C(C)C)[nH+]1 ZINC000349382232 136343080 /nfs/dbraw/zinc/34/30/80/136343080.db2.gz RYLNULPIQXMZTP-LBPRGKRZSA-N 1 2 235.375 3.389 20 0 BGADLO Cc1ccc(F)c(C[N@@H+](C)Cc2ccco2)c1 ZINC000349615627 386891635 /nfs/dbraw/zinc/89/16/35/386891635.db2.gz LKHWLXPSHCGYTL-UHFFFAOYSA-N 1 2 233.286 3.359 20 0 BGADLO Cc1ccc(F)c(C[N@H+](C)Cc2ccco2)c1 ZINC000349615627 386891633 /nfs/dbraw/zinc/89/16/33/386891633.db2.gz LKHWLXPSHCGYTL-UHFFFAOYSA-N 1 2 233.286 3.359 20 0 BGADLO C[N@@H+](Cc1ccco1)Cc1ccc(Cl)o1 ZINC000349619168 386893156 /nfs/dbraw/zinc/89/31/56/386893156.db2.gz YKDUHMJBKDUODL-UHFFFAOYSA-N 1 2 225.675 3.158 20 0 BGADLO C[N@H+](Cc1ccco1)Cc1ccc(Cl)o1 ZINC000349619168 386893151 /nfs/dbraw/zinc/89/31/51/386893151.db2.gz YKDUHMJBKDUODL-UHFFFAOYSA-N 1 2 225.675 3.158 20 0 BGADLO CC[C@@H](C)COc1cccc(-n2cc[nH+]c2)c1 ZINC000349641115 386894278 /nfs/dbraw/zinc/89/42/78/386894278.db2.gz ALAUQLBTQGVXBM-GFCCVEGCSA-N 1 2 230.311 3.297 20 0 BGADLO CC[C@H](C)COc1cccc(-n2cc[nH+]c2)c1 ZINC000349641116 386894644 /nfs/dbraw/zinc/89/46/44/386894644.db2.gz ALAUQLBTQGVXBM-LBPRGKRZSA-N 1 2 230.311 3.297 20 0 BGADLO CCc1ccc(NCc2c[nH+]cn2C)cc1Cl ZINC000349700710 355414393 /nfs/dbraw/zinc/41/43/93/355414393.db2.gz SYOFTZMMCYGYIC-UHFFFAOYSA-N 1 2 249.745 3.248 20 0 BGADLO CCOC1CC(C[NH2+]c2ccc(C)cc2OC)C1 ZINC000349763473 355436207 /nfs/dbraw/zinc/43/62/07/355436207.db2.gz IDFKOWUZYCTZCV-UHFFFAOYSA-N 1 2 249.354 3.231 20 0 BGADLO Cc1ccn(-c2ccc([NH2+]CCCCF)cc2)n1 ZINC000349765307 355440734 /nfs/dbraw/zinc/44/07/34/355440734.db2.gz RTVPTQREYUJOQN-UHFFFAOYSA-N 1 2 247.317 3.342 20 0 BGADLO CCc1cc(NCc2[nH+]ccn2CC)ccc1F ZINC000349786868 355462793 /nfs/dbraw/zinc/46/27/93/355462793.db2.gz DNEGJTREEYVZRZ-UHFFFAOYSA-N 1 2 247.317 3.217 20 0 BGADLO C[N@@H+](Cc1ccoc1)Cc1ccc(F)cc1F ZINC000349805685 355466700 /nfs/dbraw/zinc/46/67/00/355466700.db2.gz VTIXTCAOIHXKKJ-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO C[N@H+](Cc1ccoc1)Cc1ccc(F)cc1F ZINC000349805685 355466697 /nfs/dbraw/zinc/46/66/97/355466697.db2.gz VTIXTCAOIHXKKJ-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccon2)o1 ZINC000349829735 355486998 /nfs/dbraw/zinc/48/69/98/355486998.db2.gz DLSALUUFXXAGSA-NXEZZACHSA-N 1 2 234.299 3.242 20 0 BGADLO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccon2)o1 ZINC000349829736 355487031 /nfs/dbraw/zinc/48/70/31/355487031.db2.gz DLSALUUFXXAGSA-UWVGGRQHSA-N 1 2 234.299 3.242 20 0 BGADLO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccon2)o1 ZINC000349829737 355486744 /nfs/dbraw/zinc/48/67/44/355486744.db2.gz DLSALUUFXXAGSA-VHSXEESVSA-N 1 2 234.299 3.242 20 0 BGADLO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccon2)o1 ZINC000349829738 355486967 /nfs/dbraw/zinc/48/69/67/355486967.db2.gz DLSALUUFXXAGSA-ZJUUUORDSA-N 1 2 234.299 3.242 20 0 BGADLO CC(C)(CF)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000349831074 355488198 /nfs/dbraw/zinc/48/81/98/355488198.db2.gz TUKOEZURSNYDPA-UHFFFAOYSA-N 1 2 248.301 3.179 20 0 BGADLO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349831976 355488922 /nfs/dbraw/zinc/48/89/22/355488922.db2.gz LLBHPSWHOMBCTH-GHMZBOCLSA-N 1 2 246.310 3.095 20 0 BGADLO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349831978 355488906 /nfs/dbraw/zinc/48/89/06/355488906.db2.gz LLBHPSWHOMBCTH-MNOVXSKESA-N 1 2 246.310 3.095 20 0 BGADLO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349831980 355488985 /nfs/dbraw/zinc/48/89/85/355488985.db2.gz LLBHPSWHOMBCTH-QWRGUYRKSA-N 1 2 246.310 3.095 20 0 BGADLO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349831993 355488934 /nfs/dbraw/zinc/48/89/34/355488934.db2.gz LLBHPSWHOMBCTH-WDEREUQCSA-N 1 2 246.310 3.095 20 0 BGADLO CCc1cccnc1[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349841873 355492013 /nfs/dbraw/zinc/49/20/13/355492013.db2.gz VGOVZQSRWMRXKJ-GHMZBOCLSA-N 1 2 245.326 3.044 20 0 BGADLO CCc1cccnc1[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349841879 355491810 /nfs/dbraw/zinc/49/18/10/355491810.db2.gz VGOVZQSRWMRXKJ-MNOVXSKESA-N 1 2 245.326 3.044 20 0 BGADLO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349841885 355491869 /nfs/dbraw/zinc/49/18/69/355491869.db2.gz VGOVZQSRWMRXKJ-QWRGUYRKSA-N 1 2 245.326 3.044 20 0 BGADLO CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000349841889 355491832 /nfs/dbraw/zinc/49/18/32/355491832.db2.gz VGOVZQSRWMRXKJ-WDEREUQCSA-N 1 2 245.326 3.044 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2ccc(Cl)o2)o1 ZINC000350084722 355582236 /nfs/dbraw/zinc/58/22/36/355582236.db2.gz QAPMTYNIPIUKNK-UHFFFAOYSA-N 1 2 239.702 3.466 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)o2)o1 ZINC000350084722 355582234 /nfs/dbraw/zinc/58/22/34/355582234.db2.gz QAPMTYNIPIUKNK-UHFFFAOYSA-N 1 2 239.702 3.466 20 0 BGADLO CC[N@@H+](CC(F)F)C[C@H]1C[C@@H]1c1ccccc1 ZINC000350323943 355678832 /nfs/dbraw/zinc/67/88/32/355678832.db2.gz WXMRYLHAVYLMTR-CHWSQXEVSA-N 1 2 239.309 3.377 20 0 BGADLO CC[N@H+](CC(F)F)C[C@H]1C[C@@H]1c1ccccc1 ZINC000350323943 355678830 /nfs/dbraw/zinc/67/88/30/355678830.db2.gz WXMRYLHAVYLMTR-CHWSQXEVSA-N 1 2 239.309 3.377 20 0 BGADLO CC[N@@H+](CC(F)F)C[C@H]1C[C@H]1c1ccccc1 ZINC000350323950 355678747 /nfs/dbraw/zinc/67/87/47/355678747.db2.gz WXMRYLHAVYLMTR-OLZOCXBDSA-N 1 2 239.309 3.377 20 0 BGADLO CC[N@H+](CC(F)F)C[C@H]1C[C@H]1c1ccccc1 ZINC000350323950 355678746 /nfs/dbraw/zinc/67/87/46/355678746.db2.gz WXMRYLHAVYLMTR-OLZOCXBDSA-N 1 2 239.309 3.377 20 0 BGADLO CC[N@@H+](CC(F)F)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000350323952 355678785 /nfs/dbraw/zinc/67/87/85/355678785.db2.gz WXMRYLHAVYLMTR-QWHCGFSZSA-N 1 2 239.309 3.377 20 0 BGADLO CC[N@H+](CC(F)F)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000350323952 355678784 /nfs/dbraw/zinc/67/87/84/355678784.db2.gz WXMRYLHAVYLMTR-QWHCGFSZSA-N 1 2 239.309 3.377 20 0 BGADLO CC[N@@H+](CC(F)F)C[C@@H]1C[C@H]1c1ccccc1 ZINC000350323955 355678643 /nfs/dbraw/zinc/67/86/43/355678643.db2.gz WXMRYLHAVYLMTR-STQMWFEESA-N 1 2 239.309 3.377 20 0 BGADLO CC[N@H+](CC(F)F)C[C@@H]1C[C@H]1c1ccccc1 ZINC000350323955 355678642 /nfs/dbraw/zinc/67/86/42/355678642.db2.gz WXMRYLHAVYLMTR-STQMWFEESA-N 1 2 239.309 3.377 20 0 BGADLO Cc1ccc(F)c(C[N@@H+](C)Cc2cccnc2)c1 ZINC000350351524 355683234 /nfs/dbraw/zinc/68/32/34/355683234.db2.gz IQTRMCSUZMOCJQ-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1ccc(F)c(C[N@H+](C)Cc2cccnc2)c1 ZINC000350351524 355683229 /nfs/dbraw/zinc/68/32/29/355683229.db2.gz IQTRMCSUZMOCJQ-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO COc1ccc(F)c(C[N@@H+](C)Cc2ccoc2)c1 ZINC000350663261 536598021 /nfs/dbraw/zinc/59/80/21/536598021.db2.gz VCODDEOPZBDYJN-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO COc1ccc(F)c(C[N@H+](C)Cc2ccoc2)c1 ZINC000350663261 536598016 /nfs/dbraw/zinc/59/80/16/536598016.db2.gz VCODDEOPZBDYJN-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO CC/C(C)=C/c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351227413 366455771 /nfs/dbraw/zinc/45/57/71/366455771.db2.gz FWGXSAFOZYMKJS-CSKARUKUSA-N 1 2 243.310 3.177 20 0 BGADLO CC/C=C(/C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351227860 366455558 /nfs/dbraw/zinc/45/55/58/366455558.db2.gz FXXWAVZCDSXNMC-POHAHGRESA-N 1 2 243.310 3.177 20 0 BGADLO CCC(CC)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351231523 366455855 /nfs/dbraw/zinc/45/58/55/366455855.db2.gz JLBHBTPBCVMIQX-UHFFFAOYSA-N 1 2 245.326 3.267 20 0 BGADLO CCC[C@H](C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351233898 366455095 /nfs/dbraw/zinc/45/50/95/366455095.db2.gz MKUGPAAIIBCOST-JTQLQIEISA-N 1 2 245.326 3.267 20 0 BGADLO CCC[C@@H](C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351233903 366455574 /nfs/dbraw/zinc/45/55/74/366455574.db2.gz MKUGPAAIIBCOST-SNVBAGLBSA-N 1 2 245.326 3.267 20 0 BGADLO CCC(C)(C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000351234997 357134885 /nfs/dbraw/zinc/13/48/85/357134885.db2.gz NPFOLVXDLBYBJM-UHFFFAOYSA-N 1 2 245.326 3.051 20 0 BGADLO CCCCCc1nc(Cc2ccc[nH+]c2C)no1 ZINC000351238850 366457528 /nfs/dbraw/zinc/45/75/28/366457528.db2.gz KSOITCJVUGMGEA-UHFFFAOYSA-N 1 2 245.326 3.097 20 0 BGADLO Cc1ccccc1C[N@@H+](Cc1ccon1)C1CC1 ZINC000351480222 355995986 /nfs/dbraw/zinc/99/59/86/355995986.db2.gz USVSCJAYCJZQPR-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO Cc1ccccc1C[N@H+](Cc1ccon1)C1CC1 ZINC000351480222 355995983 /nfs/dbraw/zinc/99/59/83/355995983.db2.gz USVSCJAYCJZQPR-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO Cc1cc(N[C@@H]2CCC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000351484446 355998353 /nfs/dbraw/zinc/99/83/53/355998353.db2.gz TUNGMHPOJZSXMO-GFCCVEGCSA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N[C@H]2CCC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000351484447 355998213 /nfs/dbraw/zinc/99/82/13/355998213.db2.gz TUNGMHPOJZSXMO-LBPRGKRZSA-N 1 2 245.370 3.075 20 0 BGADLO CC1(C)CC[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000351503263 136368772 /nfs/dbraw/zinc/36/87/72/136368772.db2.gz RTCCVOXIOQJVID-LLVKDONJSA-N 1 2 241.338 3.042 20 0 BGADLO CC1(C)CC[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000351503264 136368818 /nfs/dbraw/zinc/36/88/18/136368818.db2.gz RTCCVOXIOQJVID-NSHDSACASA-N 1 2 241.338 3.042 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCC(C)(C)C2)cc[nH+]1 ZINC000351506707 356004509 /nfs/dbraw/zinc/00/45/09/356004509.db2.gz VJJZQEGVQAJALI-LLVKDONJSA-N 1 2 233.359 3.013 20 0 BGADLO CC(C)c1nc(N[C@H]2CCC(C)(C)C2)cc[nH+]1 ZINC000351506708 356004994 /nfs/dbraw/zinc/00/49/94/356004994.db2.gz VJJZQEGVQAJALI-NSHDSACASA-N 1 2 233.359 3.013 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@H]2CCC(C)(C)C2)[nH+]1 ZINC000351507526 356005916 /nfs/dbraw/zinc/00/59/16/356005916.db2.gz ZXEYESAXVYAICI-JTQLQIEISA-N 1 2 244.342 3.257 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCC(C)(C)C2)[nH+]1 ZINC000351507527 356005426 /nfs/dbraw/zinc/00/54/26/356005426.db2.gz ZXEYESAXVYAICI-SNVBAGLBSA-N 1 2 244.342 3.257 20 0 BGADLO Fc1c[nH+]ccc1NCc1ccc2occc2c1 ZINC000351543088 356012653 /nfs/dbraw/zinc/01/26/53/356012653.db2.gz DWLBYJZJAHBJHB-UHFFFAOYSA-N 1 2 242.253 3.001 20 0 BGADLO CCc1ccc(CNc2ccc(C)[nH+]c2C)cn1 ZINC000351543110 356012672 /nfs/dbraw/zinc/01/26/72/356012672.db2.gz FFFFLNRAZPUSIB-UHFFFAOYSA-N 1 2 241.338 3.268 20 0 BGADLO Cc1cc(Cl)cc(C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000351567445 136247238 /nfs/dbraw/zinc/24/72/38/136247238.db2.gz IZQPPMKPECYCKZ-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)cc(C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000351567445 136247237 /nfs/dbraw/zinc/24/72/37/136247237.db2.gz IZQPPMKPECYCKZ-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO CCC(CC)(CC)CNc1cccc(CO)[nH+]1 ZINC000351567798 534902774 /nfs/dbraw/zinc/90/27/74/534902774.db2.gz JNGQUSYJPVMQSC-UHFFFAOYSA-N 1 2 236.359 3.202 20 0 BGADLO C[C@H]([NH2+]Cc1coc2ccccc12)c1ccon1 ZINC000351573140 136246910 /nfs/dbraw/zinc/24/69/10/136246910.db2.gz HREWDLWZSGPYGP-JTQLQIEISA-N 1 2 242.278 3.272 20 0 BGADLO C[C@@H]([NH2+]Cc1coc2ccccc12)c1ccon1 ZINC000351573141 136246933 /nfs/dbraw/zinc/24/69/33/136246933.db2.gz HREWDLWZSGPYGP-SNVBAGLBSA-N 1 2 242.278 3.272 20 0 BGADLO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ccon1 ZINC000351583606 356021058 /nfs/dbraw/zinc/02/10/58/356021058.db2.gz UHFMVUJEVFBZRP-JBLDHEPKSA-N 1 2 246.310 3.242 20 0 BGADLO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ccon1 ZINC000351583607 356020567 /nfs/dbraw/zinc/02/05/67/356020567.db2.gz UHFMVUJEVFBZRP-JFGNBEQYSA-N 1 2 246.310 3.242 20 0 BGADLO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ccon1 ZINC000351583608 356020748 /nfs/dbraw/zinc/02/07/48/356020748.db2.gz UHFMVUJEVFBZRP-NHCYSSNCSA-N 1 2 246.310 3.242 20 0 BGADLO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ccon1 ZINC000351583609 356022183 /nfs/dbraw/zinc/02/21/83/356022183.db2.gz UHFMVUJEVFBZRP-SCVCMEIPSA-N 1 2 246.310 3.242 20 0 BGADLO c1coc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000351600627 136247460 /nfs/dbraw/zinc/24/74/60/136247460.db2.gz ZQFYLTLUVIFGPB-HNNXBMFYSA-N 1 2 249.354 3.061 20 0 BGADLO c1coc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000351600627 136247459 /nfs/dbraw/zinc/24/74/59/136247459.db2.gz ZQFYLTLUVIFGPB-HNNXBMFYSA-N 1 2 249.354 3.061 20 0 BGADLO c1coc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000351600628 136247597 /nfs/dbraw/zinc/24/75/97/136247597.db2.gz ZQFYLTLUVIFGPB-OAHLLOKOSA-N 1 2 249.354 3.061 20 0 BGADLO c1coc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000351600628 136247596 /nfs/dbraw/zinc/24/75/96/136247596.db2.gz ZQFYLTLUVIFGPB-OAHLLOKOSA-N 1 2 249.354 3.061 20 0 BGADLO c1cc2cc(CNc3cccc[nH+]3)ccc2o1 ZINC000351623367 356032446 /nfs/dbraw/zinc/03/24/46/356032446.db2.gz HWBUMJFEDSJAAD-UHFFFAOYSA-N 1 2 224.263 3.440 20 0 BGADLO Cc1nc(N(CC(C)C)CC(C)(C)C)cc[nH+]1 ZINC000351873931 136371245 /nfs/dbraw/zinc/37/12/45/136371245.db2.gz FWERPDKXNUMLAL-UHFFFAOYSA-N 1 2 235.375 3.294 20 0 BGADLO CC[N@@H+](CCCCOC)c1cccc(C)c1 ZINC000351883223 356128148 /nfs/dbraw/zinc/12/81/48/356128148.db2.gz UEBDXTJWBIZOOD-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO CC[N@H+](CCCCOC)c1cccc(C)c1 ZINC000351883223 356128144 /nfs/dbraw/zinc/12/81/44/356128144.db2.gz UEBDXTJWBIZOOD-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)CC1CC1 ZINC000351931331 134011655 /nfs/dbraw/zinc/01/16/55/134011655.db2.gz PWWWULLFEIQGIF-JTQLQIEISA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)CC1CC1 ZINC000351931332 134011909 /nfs/dbraw/zinc/01/19/09/134011909.db2.gz PWWWULLFEIQGIF-SNVBAGLBSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NCCC(C)(C)C ZINC000351939127 134014656 /nfs/dbraw/zinc/01/46/56/134014656.db2.gz YPNLSKWWVBKSKJ-UHFFFAOYSA-N 1 2 249.358 3.256 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccc(Cl)s2)CCO1 ZINC000351972884 134024925 /nfs/dbraw/zinc/02/49/25/134024925.db2.gz WOKMZTHYRDSOCC-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)C[N@H+](Cc2ccc(Cl)s2)CCO1 ZINC000351972884 134024924 /nfs/dbraw/zinc/02/49/24/134024924.db2.gz WOKMZTHYRDSOCC-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO FC1=CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000351973678 134024986 /nfs/dbraw/zinc/02/49/86/134024986.db2.gz FNZXLBOROMOFGD-XBXARRHUSA-N 1 2 217.287 3.259 20 0 BGADLO FC1=CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000351973678 134024985 /nfs/dbraw/zinc/02/49/85/134024985.db2.gz FNZXLBOROMOFGD-XBXARRHUSA-N 1 2 217.287 3.259 20 0 BGADLO FC1=CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC000351973679 134024935 /nfs/dbraw/zinc/02/49/35/134024935.db2.gz FNZXLBOROMOFGD-YWEYNIOJSA-N 1 2 217.287 3.259 20 0 BGADLO FC1=CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000351973679 134024934 /nfs/dbraw/zinc/02/49/34/134024934.db2.gz FNZXLBOROMOFGD-YWEYNIOJSA-N 1 2 217.287 3.259 20 0 BGADLO Cc1cc(C[N@H+]2CCC=C(F)C2)ccc1F ZINC000351976575 134025351 /nfs/dbraw/zinc/02/53/51/134025351.db2.gz VUBJZBFWYGINQW-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO Cc1cc(C[N@@H+]2CCC=C(F)C2)ccc1F ZINC000351976575 134025350 /nfs/dbraw/zinc/02/53/50/134025350.db2.gz VUBJZBFWYGINQW-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO Cc1ccc(C[N@H+]2CCC=C(F)C2)cc1F ZINC000351980784 134025399 /nfs/dbraw/zinc/02/53/99/134025399.db2.gz GTEJBNJKHKOIMP-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC=C(F)C2)cc1F ZINC000351980784 134025398 /nfs/dbraw/zinc/02/53/98/134025398.db2.gz GTEJBNJKHKOIMP-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO COc1ccccc1/C=C\C[N@H+]1CCC=C(F)C1 ZINC000351983200 134026237 /nfs/dbraw/zinc/02/62/37/134026237.db2.gz RNFAZTCMTCSMRN-DAXSKMNVSA-N 1 2 247.313 3.268 20 0 BGADLO COc1ccccc1/C=C\C[N@@H+]1CCC=C(F)C1 ZINC000351983200 134026236 /nfs/dbraw/zinc/02/62/36/134026236.db2.gz RNFAZTCMTCSMRN-DAXSKMNVSA-N 1 2 247.313 3.268 20 0 BGADLO COc1ccccc1/C=C/C[N@H+]1CCC=C(F)C1 ZINC000351983201 134025751 /nfs/dbraw/zinc/02/57/51/134025751.db2.gz RNFAZTCMTCSMRN-QPJJXVBHSA-N 1 2 247.313 3.268 20 0 BGADLO COc1ccccc1/C=C/C[N@@H+]1CCC=C(F)C1 ZINC000351983201 134025750 /nfs/dbraw/zinc/02/57/50/134025750.db2.gz RNFAZTCMTCSMRN-QPJJXVBHSA-N 1 2 247.313 3.268 20 0 BGADLO COc1ccc(C[N@H+]2CCC=C(F)C2)cc1C ZINC000351988019 134026394 /nfs/dbraw/zinc/02/63/94/134026394.db2.gz CKBZALNPXFBLGD-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO COc1ccc(C[N@@H+]2CCC=C(F)C2)cc1C ZINC000351988019 134026393 /nfs/dbraw/zinc/02/63/93/134026393.db2.gz CKBZALNPXFBLGD-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO FC1=CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000351988450 134026397 /nfs/dbraw/zinc/02/63/97/134026397.db2.gz HREWLMBREWQQBP-UHFFFAOYSA-N 1 2 231.270 3.492 20 0 BGADLO FC1=CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000351988450 134026396 /nfs/dbraw/zinc/02/63/96/134026396.db2.gz HREWLMBREWQQBP-UHFFFAOYSA-N 1 2 231.270 3.492 20 0 BGADLO CC1(C)CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000351988627 535317127 /nfs/dbraw/zinc/31/71/27/535317127.db2.gz JYTOULDWTBILPP-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO CCC1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000351988645 134026712 /nfs/dbraw/zinc/02/67/12/134026712.db2.gz KCNXJUSHKJHFTC-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO Cc1ccc(F)c(C[N@H+]2CCC=C(F)C2)c1 ZINC000351988661 134026443 /nfs/dbraw/zinc/02/64/43/134026443.db2.gz KHBPNNWVFTVKGZ-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO Cc1ccc(F)c(C[N@@H+]2CCC=C(F)C2)c1 ZINC000351988661 134026442 /nfs/dbraw/zinc/02/64/42/134026442.db2.gz KHBPNNWVFTVKGZ-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCC=C(F)C2)o1 ZINC000351989774 134027081 /nfs/dbraw/zinc/02/70/81/134027081.db2.gz WEAFNENPGOUUMM-GWCFXTLKSA-N 1 2 235.302 3.462 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC=C(F)C2)o1 ZINC000351989774 134027080 /nfs/dbraw/zinc/02/70/80/134027080.db2.gz WEAFNENPGOUUMM-GWCFXTLKSA-N 1 2 235.302 3.462 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCC=C(F)C2)o1 ZINC000351989775 134026957 /nfs/dbraw/zinc/02/69/57/134026957.db2.gz WEAFNENPGOUUMM-GXFFZTMASA-N 1 2 235.302 3.462 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCC=C(F)C2)o1 ZINC000351989775 134026956 /nfs/dbraw/zinc/02/69/56/134026956.db2.gz WEAFNENPGOUUMM-GXFFZTMASA-N 1 2 235.302 3.462 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC=C(F)C2)o1 ZINC000351989776 134026977 /nfs/dbraw/zinc/02/69/77/134026977.db2.gz WEAFNENPGOUUMM-MFKMUULPSA-N 1 2 235.302 3.462 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC=C(F)C2)o1 ZINC000351989776 134026976 /nfs/dbraw/zinc/02/69/76/134026976.db2.gz WEAFNENPGOUUMM-MFKMUULPSA-N 1 2 235.302 3.462 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC=C(F)C2)o1 ZINC000351989777 134026842 /nfs/dbraw/zinc/02/68/42/134026842.db2.gz WEAFNENPGOUUMM-ZWNOBZJWSA-N 1 2 235.302 3.462 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC=C(F)C2)o1 ZINC000351989777 134026841 /nfs/dbraw/zinc/02/68/41/134026841.db2.gz WEAFNENPGOUUMM-ZWNOBZJWSA-N 1 2 235.302 3.462 20 0 BGADLO C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)CC1 ZINC000351994317 134033037 /nfs/dbraw/zinc/03/30/37/134033037.db2.gz FSPVFOJNGVKOQA-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO C[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)CC1 ZINC000351994317 134033036 /nfs/dbraw/zinc/03/30/36/134033036.db2.gz FSPVFOJNGVKOQA-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO C[C@H]1CCC[N@@H+](Cc2ncc(Cl)s2)CC1 ZINC000351994319 134033385 /nfs/dbraw/zinc/03/33/85/134033385.db2.gz FSPVFOJNGVKOQA-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO C[C@H]1CCC[N@H+](Cc2ncc(Cl)s2)CC1 ZINC000351994319 134033384 /nfs/dbraw/zinc/03/33/84/134033384.db2.gz FSPVFOJNGVKOQA-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO CC(C)[N@@H+](Cc1ncc(Cl)s1)C1CC1 ZINC000351995410 535122551 /nfs/dbraw/zinc/12/25/51/535122551.db2.gz KAVPCXQDVKDIRU-UHFFFAOYSA-N 1 2 230.764 3.169 20 0 BGADLO CC(C)[N@H+](Cc1ncc(Cl)s1)C1CC1 ZINC000351995410 535122546 /nfs/dbraw/zinc/12/25/46/535122546.db2.gz KAVPCXQDVKDIRU-UHFFFAOYSA-N 1 2 230.764 3.169 20 0 BGADLO C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)[C@H]1C ZINC000352001377 134033802 /nfs/dbraw/zinc/03/38/02/134033802.db2.gz FVWQOHQGZJKSER-BDAKNGLRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)[C@H]1C ZINC000352001377 134033801 /nfs/dbraw/zinc/03/38/01/134033801.db2.gz FVWQOHQGZJKSER-BDAKNGLRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ncc(Cl)s1 ZINC000352001379 134033674 /nfs/dbraw/zinc/03/36/74/134033674.db2.gz FVWQOHQGZJKSER-DTWKUNHWSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ncc(Cl)s1 ZINC000352001379 134033673 /nfs/dbraw/zinc/03/36/73/134033673.db2.gz FVWQOHQGZJKSER-DTWKUNHWSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CCC[N@@H+](Cc2ncc(Cl)s2)[C@H]1C ZINC000352001381 134033855 /nfs/dbraw/zinc/03/38/55/134033855.db2.gz FVWQOHQGZJKSER-IUCAKERBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CCC[N@H+](Cc2ncc(Cl)s2)[C@H]1C ZINC000352001381 134033854 /nfs/dbraw/zinc/03/38/54/134033854.db2.gz FVWQOHQGZJKSER-IUCAKERBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)[C@@H]1C ZINC000352001382 134033970 /nfs/dbraw/zinc/03/39/70/134033970.db2.gz FVWQOHQGZJKSER-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)[C@@H]1C ZINC000352001382 134033969 /nfs/dbraw/zinc/03/39/69/134033969.db2.gz FVWQOHQGZJKSER-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO CC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000352002930 134033680 /nfs/dbraw/zinc/03/36/80/134033680.db2.gz OFNSFJKCPDICFD-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000352002930 134033679 /nfs/dbraw/zinc/03/36/79/134033679.db2.gz OFNSFJKCPDICFD-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@H]1CCC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000352002931 134033768 /nfs/dbraw/zinc/03/37/68/134033768.db2.gz OFNSFJKCPDICFD-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@H]1CCC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000352002931 134033767 /nfs/dbraw/zinc/03/37/67/134033767.db2.gz OFNSFJKCPDICFD-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C[C@@H]1C ZINC000352003630 134034461 /nfs/dbraw/zinc/03/44/61/134034461.db2.gz RQIGKZVEJQWEEQ-BDAKNGLRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C[C@@H]1C ZINC000352003630 134034460 /nfs/dbraw/zinc/03/44/60/134034460.db2.gz RQIGKZVEJQWEEQ-BDAKNGLRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC000352003631 134034339 /nfs/dbraw/zinc/03/43/39/134034339.db2.gz RQIGKZVEJQWEEQ-DTWKUNHWSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1CC[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC000352003631 134034338 /nfs/dbraw/zinc/03/43/38/134034338.db2.gz RQIGKZVEJQWEEQ-DTWKUNHWSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1C[N@H+](Cc2ncc(Cl)s2)CC[C@@H]1C ZINC000352003632 134034310 /nfs/dbraw/zinc/03/43/10/134034310.db2.gz RQIGKZVEJQWEEQ-IUCAKERBSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1C[N@@H+](Cc2ncc(Cl)s2)CC[C@@H]1C ZINC000352003632 134034309 /nfs/dbraw/zinc/03/43/09/134034309.db2.gz RQIGKZVEJQWEEQ-IUCAKERBSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC000352003633 134034440 /nfs/dbraw/zinc/03/44/40/134034440.db2.gz RQIGKZVEJQWEEQ-RKDXNWHRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)C[C@H]1C ZINC000352003633 134034439 /nfs/dbraw/zinc/03/44/39/134034439.db2.gz RQIGKZVEJQWEEQ-RKDXNWHRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1C[C@H](C)C[N@H+](Cc2ncc(Cl)s2)C1 ZINC000352004215 134034307 /nfs/dbraw/zinc/03/43/07/134034307.db2.gz UWOAMVLYUKKTFZ-DTORHVGOSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000352004215 134034306 /nfs/dbraw/zinc/03/43/06/134034306.db2.gz UWOAMVLYUKKTFZ-DTORHVGOSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1C[C@H](C)C[NH+](Cc2ncc(Cl)s2)C1 ZINC000352004216 134034536 /nfs/dbraw/zinc/03/45/36/134034536.db2.gz UWOAMVLYUKKTFZ-IUCAKERBSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1C[C@@H](C)C[NH+](Cc2ncc(Cl)s2)C1 ZINC000352004217 134034751 /nfs/dbraw/zinc/03/47/51/134034751.db2.gz UWOAMVLYUKKTFZ-RKDXNWHRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000352005945 134034846 /nfs/dbraw/zinc/03/48/46/134034846.db2.gz ZJFRXKZRLRYGTJ-BDAKNGLRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[C@H](C)[N@H+](Cc2ncc(Cl)s2)C1 ZINC000352005945 134034845 /nfs/dbraw/zinc/03/48/45/134034845.db2.gz ZJFRXKZRLRYGTJ-BDAKNGLRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ncc(Cl)s1 ZINC000352005946 134034928 /nfs/dbraw/zinc/03/49/28/134034928.db2.gz ZJFRXKZRLRYGTJ-DTWKUNHWSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ncc(Cl)s1 ZINC000352005946 134034927 /nfs/dbraw/zinc/03/49/27/134034927.db2.gz ZJFRXKZRLRYGTJ-DTWKUNHWSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC[C@H](C)[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000352005947 134034206 /nfs/dbraw/zinc/03/42/06/134034206.db2.gz ZJFRXKZRLRYGTJ-IUCAKERBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC[C@H](C)[N@H+](Cc2ncc(Cl)s2)C1 ZINC000352005947 134034205 /nfs/dbraw/zinc/03/42/05/134034205.db2.gz ZJFRXKZRLRYGTJ-IUCAKERBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000352005948 134034933 /nfs/dbraw/zinc/03/49/33/134034933.db2.gz ZJFRXKZRLRYGTJ-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ncc(Cl)s2)C1 ZINC000352005948 134034932 /nfs/dbraw/zinc/03/49/32/134034932.db2.gz ZJFRXKZRLRYGTJ-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO CC[C@]1(C)CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000352010831 535911012 /nfs/dbraw/zinc/91/10/12/535911012.db2.gz KJHDBDMNYIAKEN-LLVKDONJSA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@]1(C)CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000352010831 535911009 /nfs/dbraw/zinc/91/10/09/535911009.db2.gz KJHDBDMNYIAKEN-LLVKDONJSA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@@]1(C)CC[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000352010832 536049915 /nfs/dbraw/zinc/04/99/15/536049915.db2.gz KJHDBDMNYIAKEN-NSHDSACASA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@@]1(C)CC[N@H+](Cc2ncc(Cl)s2)C1 ZINC000352010832 536049912 /nfs/dbraw/zinc/04/99/12/536049912.db2.gz KJHDBDMNYIAKEN-NSHDSACASA-N 1 2 244.791 3.419 20 0 BGADLO Cn1cc[nH+]c1CNc1csc2ccccc12 ZINC000352013829 134036080 /nfs/dbraw/zinc/03/60/80/134036080.db2.gz MRYHZGKSFZSFCT-UHFFFAOYSA-N 1 2 243.335 3.247 20 0 BGADLO Cn1c[nH+]cc1CNc1csc2ccccc12 ZINC000352025064 134041996 /nfs/dbraw/zinc/04/19/96/134041996.db2.gz CFURMHFZXLLZAZ-UHFFFAOYSA-N 1 2 243.335 3.247 20 0 BGADLO FC(F)C1([NH2+]Cc2ccncc2)CCCCC1 ZINC000352185312 134097659 /nfs/dbraw/zinc/09/76/59/134097659.db2.gz BONHPZCHPLBRSY-UHFFFAOYSA-N 1 2 240.297 3.139 20 0 BGADLO FC(F)C1([NH2+]Cc2cccnc2)CCCCC1 ZINC000352203276 134103073 /nfs/dbraw/zinc/10/30/73/134103073.db2.gz QJIUYBBQNCJTLG-UHFFFAOYSA-N 1 2 240.297 3.139 20 0 BGADLO FC(F)C1([NH2+]Cc2ccccn2)CCCCC1 ZINC000352210669 134107645 /nfs/dbraw/zinc/10/76/45/134107645.db2.gz HGNRCDFGYNNPMY-UHFFFAOYSA-N 1 2 240.297 3.139 20 0 BGADLO CC(C)c1nc(N[C@H]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000352248317 134118473 /nfs/dbraw/zinc/11/84/73/134118473.db2.gz ZDHHPRFDOMRNPP-ITGUQSILSA-N 1 2 247.386 3.259 20 0 BGADLO CC(C)c1nc(NC2C[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000352248318 134118689 /nfs/dbraw/zinc/11/86/89/134118689.db2.gz ZDHHPRFDOMRNPP-RYUDHWBXSA-N 1 2 247.386 3.259 20 0 BGADLO CC(C)c1nc(NC2C[C@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000352248319 134118680 /nfs/dbraw/zinc/11/86/80/134118680.db2.gz ZDHHPRFDOMRNPP-VXGBXAGGSA-N 1 2 247.386 3.259 20 0 BGADLO C[C@H]1CC(Nc2cc[nH+]c(C3CC3)n2)C[C@H](C)C1 ZINC000352267970 134128884 /nfs/dbraw/zinc/12/88/84/134128884.db2.gz UYFKURATBHXYFZ-GHMZBOCLSA-N 1 2 245.370 3.013 20 0 BGADLO C[C@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)C[C@@H](C)C1 ZINC000352267972 134128773 /nfs/dbraw/zinc/12/87/73/134128773.db2.gz UYFKURATBHXYFZ-PJXYFTJBSA-N 1 2 245.370 3.013 20 0 BGADLO C[C@@H]1CC(Nc2cc[nH+]c(C3CC3)n2)C[C@@H](C)C1 ZINC000352267974 134128869 /nfs/dbraw/zinc/12/88/69/134128869.db2.gz UYFKURATBHXYFZ-QWRGUYRKSA-N 1 2 245.370 3.013 20 0 BGADLO Fc1cccc(CCNc2cccc[nH+]2)c1F ZINC000352313074 387075003 /nfs/dbraw/zinc/07/50/03/387075003.db2.gz BTMCHSMAIMFFQJ-UHFFFAOYSA-N 1 2 234.249 3.014 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2cc(C)ccc2F)on1 ZINC000352342794 387091865 /nfs/dbraw/zinc/09/18/65/387091865.db2.gz YMGFLMDHLHADBO-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2cc(C)ccc2F)on1 ZINC000352342794 387091861 /nfs/dbraw/zinc/09/18/61/387091861.db2.gz YMGFLMDHLHADBO-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO CCCC[C@@H](C)[N@@H+](C)Cc1noc(CCC)n1 ZINC000352410433 356342059 /nfs/dbraw/zinc/34/20/59/356342059.db2.gz QPWQEWNSBWOBLT-LLVKDONJSA-N 1 2 239.363 3.033 20 0 BGADLO CCCC[C@@H](C)[N@H+](C)Cc1noc(CCC)n1 ZINC000352410433 356342056 /nfs/dbraw/zinc/34/20/56/356342056.db2.gz QPWQEWNSBWOBLT-LLVKDONJSA-N 1 2 239.363 3.033 20 0 BGADLO CCCC[C@H](C)[N@@H+](C)Cc1noc(CCC)n1 ZINC000352410434 356341939 /nfs/dbraw/zinc/34/19/39/356341939.db2.gz QPWQEWNSBWOBLT-NSHDSACASA-N 1 2 239.363 3.033 20 0 BGADLO CCCC[C@H](C)[N@H+](C)Cc1noc(CCC)n1 ZINC000352410434 356341937 /nfs/dbraw/zinc/34/19/37/356341937.db2.gz QPWQEWNSBWOBLT-NSHDSACASA-N 1 2 239.363 3.033 20 0 BGADLO CCCC[C@@H](C)[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000352415458 356341995 /nfs/dbraw/zinc/34/19/95/356341995.db2.gz NVNVAZOTNKRAOI-LLVKDONJSA-N 1 2 239.363 3.204 20 0 BGADLO CCCC[C@@H](C)[N@H+](C)Cc1noc(C(C)C)n1 ZINC000352415458 356341992 /nfs/dbraw/zinc/34/19/92/356341992.db2.gz NVNVAZOTNKRAOI-LLVKDONJSA-N 1 2 239.363 3.204 20 0 BGADLO CCCC[C@H](C)[N@@H+](C)Cc1noc(C(C)C)n1 ZINC000352415459 356342720 /nfs/dbraw/zinc/34/27/20/356342720.db2.gz NVNVAZOTNKRAOI-NSHDSACASA-N 1 2 239.363 3.204 20 0 BGADLO CCCC[C@H](C)[N@H+](C)Cc1noc(C(C)C)n1 ZINC000352415459 356342716 /nfs/dbraw/zinc/34/27/16/356342716.db2.gz NVNVAZOTNKRAOI-NSHDSACASA-N 1 2 239.363 3.204 20 0 BGADLO c1cc2cc(C[NH2+]Cc3cocn3)ccc2s1 ZINC000352482486 387248301 /nfs/dbraw/zinc/24/83/01/387248301.db2.gz USNBSMFIYYPPGB-UHFFFAOYSA-N 1 2 244.319 3.179 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCC(C)(C)OC ZINC000352536729 356375229 /nfs/dbraw/zinc/37/52/29/356375229.db2.gz JPLVVFVUJVQWLB-UHFFFAOYSA-N 1 2 237.343 3.146 20 0 BGADLO CCc1[nH+]c(C)ccc1OCC[C@H]1CCCCO1 ZINC000352542012 356378037 /nfs/dbraw/zinc/37/80/37/356378037.db2.gz HETNZOXYDROJGT-CYBMUJFWSA-N 1 2 249.354 3.290 20 0 BGADLO CCc1[nH+]c(C)ccc1OCC[C@@H]1CCCCO1 ZINC000352542013 356378080 /nfs/dbraw/zinc/37/80/80/356378080.db2.gz HETNZOXYDROJGT-ZDUSSCGKSA-N 1 2 249.354 3.290 20 0 BGADLO CCc1[nH+]c(C)ccc1OCC1CCC1 ZINC000352542533 356377871 /nfs/dbraw/zinc/37/78/71/356377871.db2.gz PLZDCDGHDFUDEY-UHFFFAOYSA-N 1 2 205.301 3.131 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCC1CC1 ZINC000352548493 538723265 /nfs/dbraw/zinc/72/32/65/538723265.db2.gz SGQIBEHQEOGYLV-UHFFFAOYSA-N 1 2 205.301 3.131 20 0 BGADLO CCc1[nH+]c(C)ccc1OC1CCCC1 ZINC000352554014 356377978 /nfs/dbraw/zinc/37/79/78/356377978.db2.gz NKQPDYRXYLHBHS-UHFFFAOYSA-N 1 2 205.301 3.274 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCC(F)(F)F ZINC000352562876 398321394 /nfs/dbraw/zinc/32/13/94/398321394.db2.gz OEEZUQSQHSUTEJ-UHFFFAOYSA-N 1 2 233.233 3.284 20 0 BGADLO Cn1c[nH+]cc1CNc1ccc(F)c(C2CC2)c1 ZINC000352612627 387364781 /nfs/dbraw/zinc/36/47/81/387364781.db2.gz PTIAFLDYSIDMAC-UHFFFAOYSA-N 1 2 245.301 3.049 20 0 BGADLO Cn1cc[nH+]c1CNc1ccc(F)c(C2CC2)c1 ZINC000352628122 387388792 /nfs/dbraw/zinc/38/87/92/387388792.db2.gz JEQQHRQMFPOSCD-UHFFFAOYSA-N 1 2 245.301 3.049 20 0 BGADLO C[N@H+](Cc1ccoc1)Cc1ccc(Cl)o1 ZINC000352647597 172904193 /nfs/dbraw/zinc/90/41/93/172904193.db2.gz BKDIFPYJSNIRLY-UHFFFAOYSA-N 1 2 225.675 3.158 20 0 BGADLO C[N@@H+](Cc1ccoc1)Cc1ccc(Cl)o1 ZINC000352647597 172904192 /nfs/dbraw/zinc/90/41/92/172904192.db2.gz BKDIFPYJSNIRLY-UHFFFAOYSA-N 1 2 225.675 3.158 20 0 BGADLO Cc1ccc(F)c(C[N@@H+](C)Cc2ccoc2)c1 ZINC000352649704 387406097 /nfs/dbraw/zinc/40/60/97/387406097.db2.gz NIUNTPXVANNSCH-UHFFFAOYSA-N 1 2 233.286 3.359 20 0 BGADLO Cc1ccc(F)c(C[N@H+](C)Cc2ccoc2)c1 ZINC000352649704 387406092 /nfs/dbraw/zinc/40/60/92/387406092.db2.gz NIUNTPXVANNSCH-UHFFFAOYSA-N 1 2 233.286 3.359 20 0 BGADLO C[N@@H+](Cc1ccoc1)Cc1c(F)cccc1F ZINC000352651425 387411939 /nfs/dbraw/zinc/41/19/39/387411939.db2.gz ACQPIZKEIVIDSQ-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO C[N@H+](Cc1ccoc1)Cc1c(F)cccc1F ZINC000352651425 387411934 /nfs/dbraw/zinc/41/19/34/387411934.db2.gz ACQPIZKEIVIDSQ-UHFFFAOYSA-N 1 2 237.249 3.190 20 0 BGADLO Cc1ccc2c(c1)CC[C@@H]2Nc1cccc[nH+]1 ZINC000352689686 387437316 /nfs/dbraw/zinc/43/73/16/387437316.db2.gz QPEZAAPQVAQWBI-AWEZNQCLSA-N 1 2 224.307 3.489 20 0 BGADLO Cc1ccc2c(c1)CC[C@H]2Nc1cccc[nH+]1 ZINC000352689687 387437201 /nfs/dbraw/zinc/43/72/01/387437201.db2.gz QPEZAAPQVAQWBI-CQSZACIVSA-N 1 2 224.307 3.489 20 0 BGADLO Cc1cccc(C[NH2+]C2CC(OC(C)(C)C)C2)c1 ZINC000352700907 179090575 /nfs/dbraw/zinc/09/05/75/179090575.db2.gz ZVXBQNHYBCLWNQ-UHFFFAOYSA-N 1 2 247.382 3.431 20 0 BGADLO C[N@@H+](CC(F)F)CC1CCC(C)(C)CC1 ZINC000352757974 387473621 /nfs/dbraw/zinc/47/36/21/387473621.db2.gz WTDGFGKUOCHTKB-UHFFFAOYSA-N 1 2 219.319 3.400 20 0 BGADLO C[N@H+](CC(F)F)CC1CCC(C)(C)CC1 ZINC000352757974 387473617 /nfs/dbraw/zinc/47/36/17/387473617.db2.gz WTDGFGKUOCHTKB-UHFFFAOYSA-N 1 2 219.319 3.400 20 0 BGADLO C[C@@H](c1cccc(F)c1)[N@H+]1CCC=C(F)C1 ZINC000352769258 176017779 /nfs/dbraw/zinc/01/77/79/176017779.db2.gz JYHKVECWESUFSK-JTQLQIEISA-N 1 2 223.266 3.446 20 0 BGADLO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC=C(F)C1 ZINC000352769258 176017778 /nfs/dbraw/zinc/01/77/78/176017778.db2.gz JYHKVECWESUFSK-JTQLQIEISA-N 1 2 223.266 3.446 20 0 BGADLO C[C@H](c1cccc(F)c1)[N@H+]1CCC=C(F)C1 ZINC000352769259 177036008 /nfs/dbraw/zinc/03/60/08/177036008.db2.gz JYHKVECWESUFSK-SNVBAGLBSA-N 1 2 223.266 3.446 20 0 BGADLO C[C@H](c1cccc(F)c1)[N@@H+]1CCC=C(F)C1 ZINC000352769259 177036006 /nfs/dbraw/zinc/03/60/06/177036006.db2.gz JYHKVECWESUFSK-SNVBAGLBSA-N 1 2 223.266 3.446 20 0 BGADLO FC1=CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000352771225 387471035 /nfs/dbraw/zinc/47/10/35/387471035.db2.gz NCBHIPMNDFVMBN-UHFFFAOYSA-N 1 2 231.314 3.234 20 0 BGADLO FC1=CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000352771225 387471030 /nfs/dbraw/zinc/47/10/30/387471030.db2.gz NCBHIPMNDFVMBN-UHFFFAOYSA-N 1 2 231.314 3.234 20 0 BGADLO FC1=CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC000352772898 387473834 /nfs/dbraw/zinc/47/38/34/387473834.db2.gz SGQXMRFMJNAKPT-UHFFFAOYSA-N 1 2 225.229 3.278 20 0 BGADLO FC1=CCC[N@H+](CCCCC(F)(F)F)C1 ZINC000352772898 387473832 /nfs/dbraw/zinc/47/38/32/387473832.db2.gz SGQXMRFMJNAKPT-UHFFFAOYSA-N 1 2 225.229 3.278 20 0 BGADLO CCOc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000352776477 387473340 /nfs/dbraw/zinc/47/33/40/387473340.db2.gz CMZGLOCBRHXYKI-UHFFFAOYSA-N 1 2 235.302 3.144 20 0 BGADLO CCOc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000352776477 387473335 /nfs/dbraw/zinc/47/33/35/387473335.db2.gz CMZGLOCBRHXYKI-UHFFFAOYSA-N 1 2 235.302 3.144 20 0 BGADLO Cc1cc(C[N@H+]2CCC=C(F)C2)c(C)s1 ZINC000352777313 387473744 /nfs/dbraw/zinc/47/37/44/387473744.db2.gz GTBWURRYZYTHTQ-UHFFFAOYSA-N 1 2 225.332 3.424 20 0 BGADLO Cc1cc(C[N@@H+]2CCC=C(F)C2)c(C)s1 ZINC000352777313 387473741 /nfs/dbraw/zinc/47/37/41/387473741.db2.gz GTBWURRYZYTHTQ-UHFFFAOYSA-N 1 2 225.332 3.424 20 0 BGADLO C[C@H]1CCCC[C@H]1OCC[N@H+]1CCC=C(F)C1 ZINC000352778205 177089604 /nfs/dbraw/zinc/08/96/04/177089604.db2.gz JQGUUWBGFPTGNT-GXTWGEPZSA-N 1 2 241.350 3.141 20 0 BGADLO C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCC=C(F)C1 ZINC000352778205 177089603 /nfs/dbraw/zinc/08/96/03/177089603.db2.gz JQGUUWBGFPTGNT-GXTWGEPZSA-N 1 2 241.350 3.141 20 0 BGADLO C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCC=C(F)C1 ZINC000352778206 177084152 /nfs/dbraw/zinc/08/41/52/177084152.db2.gz JQGUUWBGFPTGNT-JSGCOSHPSA-N 1 2 241.350 3.141 20 0 BGADLO C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCC=C(F)C1 ZINC000352778206 177084150 /nfs/dbraw/zinc/08/41/50/177084150.db2.gz JQGUUWBGFPTGNT-JSGCOSHPSA-N 1 2 241.350 3.141 20 0 BGADLO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC=C(F)C1 ZINC000352778207 176083067 /nfs/dbraw/zinc/08/30/67/176083067.db2.gz JQGUUWBGFPTGNT-OCCSQVGLSA-N 1 2 241.350 3.141 20 0 BGADLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC=C(F)C1 ZINC000352778207 176083066 /nfs/dbraw/zinc/08/30/66/176083066.db2.gz JQGUUWBGFPTGNT-OCCSQVGLSA-N 1 2 241.350 3.141 20 0 BGADLO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC=C(F)C1 ZINC000352778208 176089340 /nfs/dbraw/zinc/08/93/40/176089340.db2.gz JQGUUWBGFPTGNT-TZMCWYRMSA-N 1 2 241.350 3.141 20 0 BGADLO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC=C(F)C1 ZINC000352778208 176089339 /nfs/dbraw/zinc/08/93/39/176089339.db2.gz JQGUUWBGFPTGNT-TZMCWYRMSA-N 1 2 241.350 3.141 20 0 BGADLO CSc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000352779242 187370688 /nfs/dbraw/zinc/37/06/88/187370688.db2.gz NQKIOLVWKFHXSR-UHFFFAOYSA-N 1 2 237.343 3.468 20 0 BGADLO CSc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000352779242 187370686 /nfs/dbraw/zinc/37/06/86/187370686.db2.gz NQKIOLVWKFHXSR-UHFFFAOYSA-N 1 2 237.343 3.468 20 0 BGADLO COc1ccc(C)cc1C[N@H+]1CCC=C(F)C1 ZINC000352780993 175075252 /nfs/dbraw/zinc/07/52/52/175075252.db2.gz WPBNEEFDUXPJKR-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO COc1ccc(C)cc1C[N@@H+]1CCC=C(F)C1 ZINC000352780993 175075250 /nfs/dbraw/zinc/07/52/50/175075250.db2.gz WPBNEEFDUXPJKR-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO CCOc1ccccc1C[N@H+]1CCC=C(F)C1 ZINC000352781084 387478570 /nfs/dbraw/zinc/47/85/70/387478570.db2.gz XEELOZDHKDVRND-UHFFFAOYSA-N 1 2 235.302 3.144 20 0 BGADLO CCOc1ccccc1C[N@@H+]1CCC=C(F)C1 ZINC000352781084 387478567 /nfs/dbraw/zinc/47/85/67/387478567.db2.gz XEELOZDHKDVRND-UHFFFAOYSA-N 1 2 235.302 3.144 20 0 BGADLO Fc1ccc(CC[N@@H+]2CCC=C(F)C2)cc1F ZINC000352783262 180920077 /nfs/dbraw/zinc/92/00/77/180920077.db2.gz IMTARICMIIEXFR-UHFFFAOYSA-N 1 2 241.256 3.066 20 0 BGADLO Fc1ccc(CC[N@H+]2CCC=C(F)C2)cc1F ZINC000352783262 180920074 /nfs/dbraw/zinc/92/00/74/180920074.db2.gz IMTARICMIIEXFR-UHFFFAOYSA-N 1 2 241.256 3.066 20 0 BGADLO FC1=CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000352784319 538727351 /nfs/dbraw/zinc/72/73/51/538727351.db2.gz OACJWQWLRFBVSC-UHFFFAOYSA-N 1 2 241.350 3.285 20 0 BGADLO FC1=CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000352784319 538727341 /nfs/dbraw/zinc/72/73/41/538727341.db2.gz OACJWQWLRFBVSC-UHFFFAOYSA-N 1 2 241.350 3.285 20 0 BGADLO Fc1ccc2c(c1)[C@@H]([N@H+]1CCC=C(F)C1)CC2 ZINC000352784626 134152488 /nfs/dbraw/zinc/15/24/88/134152488.db2.gz PFESKZGGKHIHRA-AWEZNQCLSA-N 1 2 235.277 3.372 20 0 BGADLO Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC=C(F)C1)CC2 ZINC000352784626 134152487 /nfs/dbraw/zinc/15/24/87/134152487.db2.gz PFESKZGGKHIHRA-AWEZNQCLSA-N 1 2 235.277 3.372 20 0 BGADLO Fc1ccc2c(c1)[C@H]([N@H+]1CCC=C(F)C1)CC2 ZINC000352784632 134152209 /nfs/dbraw/zinc/15/22/09/134152209.db2.gz PFESKZGGKHIHRA-CQSZACIVSA-N 1 2 235.277 3.372 20 0 BGADLO Fc1ccc2c(c1)[C@H]([N@@H+]1CCC=C(F)C1)CC2 ZINC000352784632 134152208 /nfs/dbraw/zinc/15/22/08/134152208.db2.gz PFESKZGGKHIHRA-CQSZACIVSA-N 1 2 235.277 3.372 20 0 BGADLO FC1=CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000352784889 387480460 /nfs/dbraw/zinc/48/04/60/387480460.db2.gz SCGILBXYZACIBE-UHFFFAOYSA-N 1 2 231.270 3.492 20 0 BGADLO FC1=CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000352784889 387480455 /nfs/dbraw/zinc/48/04/55/387480455.db2.gz SCGILBXYZACIBE-UHFFFAOYSA-N 1 2 231.270 3.492 20 0 BGADLO FC(F)C1([NH2+]Cc2ccc3occc3c2)CC1 ZINC000352866017 386780443 /nfs/dbraw/zinc/78/04/43/386780443.db2.gz JBRUPUXEAAEXIU-UHFFFAOYSA-N 1 2 237.249 3.320 20 0 BGADLO CCc1cc(NCc2[nH+]cc(C)n2C)ccc1F ZINC000352899853 386954744 /nfs/dbraw/zinc/95/47/44/386954744.db2.gz SHKFALARYHOIDE-UHFFFAOYSA-N 1 2 247.317 3.042 20 0 BGADLO CC[C@@H](Nc1cc[nH+]c(C2CC2)n1)C(C)(C)C ZINC000352959987 386975977 /nfs/dbraw/zinc/97/59/77/386975977.db2.gz OJOXLOHGFUIORP-LLVKDONJSA-N 1 2 233.359 3.013 20 0 BGADLO CC[C@H](Nc1cc[nH+]c(C2CC2)n1)C(C)(C)C ZINC000352959988 386975490 /nfs/dbraw/zinc/97/54/90/386975490.db2.gz OJOXLOHGFUIORP-NSHDSACASA-N 1 2 233.359 3.013 20 0 BGADLO Cn1cccc1C[NH2+]C1(C(F)F)CCCCC1 ZINC000353039625 387017576 /nfs/dbraw/zinc/01/75/76/387017576.db2.gz QVBUMCYMPURZSX-UHFFFAOYSA-N 1 2 242.313 3.083 20 0 BGADLO CC(C)CCC[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000353045131 387027035 /nfs/dbraw/zinc/02/70/35/387027035.db2.gz RMCAYETUOUKLRA-GFCCVEGCSA-N 1 2 247.386 3.403 20 0 BGADLO CC(C)CCC[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000353045132 387027285 /nfs/dbraw/zinc/02/72/85/387027285.db2.gz RMCAYETUOUKLRA-LBPRGKRZSA-N 1 2 247.386 3.403 20 0 BGADLO Cn1ccc(C[NH2+]C2(C(F)F)CCCCC2)c1 ZINC000353050014 387033652 /nfs/dbraw/zinc/03/36/52/387033652.db2.gz UQHSLHQHPJGKRP-UHFFFAOYSA-N 1 2 242.313 3.083 20 0 BGADLO COCC[N@@H+](CC(F)F)CC1CCC(C)CC1 ZINC000353152837 174288694 /nfs/dbraw/zinc/28/86/94/174288694.db2.gz JCSBLDXTJAWTNW-UHFFFAOYSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@H+](CC(F)F)CC1CCC(C)CC1 ZINC000353152837 174288691 /nfs/dbraw/zinc/28/86/91/174288691.db2.gz JCSBLDXTJAWTNW-UHFFFAOYSA-N 1 2 249.345 3.026 20 0 BGADLO Cc1cccc(C[N@H+]2CCC[C@@H]2C(F)F)c1 ZINC000353165966 179077258 /nfs/dbraw/zinc/07/72/58/179077258.db2.gz JRYQEGRFRYTLCG-GFCCVEGCSA-N 1 2 225.282 3.225 20 0 BGADLO Cc1cccc(C[N@@H+]2CCC[C@@H]2C(F)F)c1 ZINC000353165966 179077256 /nfs/dbraw/zinc/07/72/56/179077256.db2.gz JRYQEGRFRYTLCG-GFCCVEGCSA-N 1 2 225.282 3.225 20 0 BGADLO Cc1cccc(C[N@H+]2CCC[C@H]2C(F)F)c1 ZINC000353165970 179076903 /nfs/dbraw/zinc/07/69/03/179076903.db2.gz JRYQEGRFRYTLCG-LBPRGKRZSA-N 1 2 225.282 3.225 20 0 BGADLO Cc1cccc(C[N@@H+]2CCC[C@H]2C(F)F)c1 ZINC000353165970 179076901 /nfs/dbraw/zinc/07/69/01/179076901.db2.gz JRYQEGRFRYTLCG-LBPRGKRZSA-N 1 2 225.282 3.225 20 0 BGADLO Fc1ccccc1CC[N@@H+]1CCC[C@@H]1C(F)F ZINC000353169784 181010706 /nfs/dbraw/zinc/01/07/06/181010706.db2.gz GFWKNDDLWCQOHR-GFCCVEGCSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1ccccc1CC[N@H+]1CCC[C@@H]1C(F)F ZINC000353169784 181010705 /nfs/dbraw/zinc/01/07/05/181010705.db2.gz GFWKNDDLWCQOHR-GFCCVEGCSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1ccccc1CC[N@@H+]1CCC[C@H]1C(F)F ZINC000353169785 181010875 /nfs/dbraw/zinc/01/08/75/181010875.db2.gz GFWKNDDLWCQOHR-LBPRGKRZSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1ccccc1CC[N@H+]1CCC[C@H]1C(F)F ZINC000353169785 181010873 /nfs/dbraw/zinc/01/08/73/181010873.db2.gz GFWKNDDLWCQOHR-LBPRGKRZSA-N 1 2 243.272 3.098 20 0 BGADLO FC(F)[C@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC000353180649 487661359 /nfs/dbraw/zinc/66/13/59/487661359.db2.gz KOQUTLOEPDUAHJ-MRVPVSSYSA-N 1 2 245.235 3.449 20 0 BGADLO FC(F)[C@H]1CCC[N@@H+]1CCCCC(F)(F)F ZINC000353180649 487661355 /nfs/dbraw/zinc/66/13/55/487661355.db2.gz KOQUTLOEPDUAHJ-MRVPVSSYSA-N 1 2 245.235 3.449 20 0 BGADLO FC(F)[C@@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC000353180694 398009220 /nfs/dbraw/zinc/00/92/20/398009220.db2.gz KOQUTLOEPDUAHJ-QMMMGPOBSA-N 1 2 245.235 3.449 20 0 BGADLO FC(F)[C@@H]1CCC[N@@H+]1CCCCC(F)(F)F ZINC000353180694 398009218 /nfs/dbraw/zinc/00/92/18/398009218.db2.gz KOQUTLOEPDUAHJ-QMMMGPOBSA-N 1 2 245.235 3.449 20 0 BGADLO FC(F)[C@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000353186813 387152083 /nfs/dbraw/zinc/15/20/83/387152083.db2.gz CXQOUSFSPKCHCV-LLVKDONJSA-N 1 2 245.338 3.410 20 0 BGADLO FC(F)[C@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000353186813 387152077 /nfs/dbraw/zinc/15/20/77/387152077.db2.gz CXQOUSFSPKCHCV-LLVKDONJSA-N 1 2 245.338 3.410 20 0 BGADLO FC(F)[C@@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000353186814 387153785 /nfs/dbraw/zinc/15/37/85/387153785.db2.gz CXQOUSFSPKCHCV-NSHDSACASA-N 1 2 245.338 3.410 20 0 BGADLO FC(F)[C@@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC000353186814 387153779 /nfs/dbraw/zinc/15/37/79/387153779.db2.gz CXQOUSFSPKCHCV-NSHDSACASA-N 1 2 245.338 3.410 20 0 BGADLO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1C(F)F ZINC000353191397 178084733 /nfs/dbraw/zinc/08/47/33/178084733.db2.gz KAVJMEMCTXXPHF-GFCCVEGCSA-N 1 2 243.272 3.364 20 0 BGADLO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353191397 178084732 /nfs/dbraw/zinc/08/47/32/178084732.db2.gz KAVJMEMCTXXPHF-GFCCVEGCSA-N 1 2 243.272 3.364 20 0 BGADLO Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1C(F)F ZINC000353191404 178085916 /nfs/dbraw/zinc/08/59/16/178085916.db2.gz KAVJMEMCTXXPHF-LBPRGKRZSA-N 1 2 243.272 3.364 20 0 BGADLO Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1C(F)F ZINC000353191404 178085915 /nfs/dbraw/zinc/08/59/15/178085915.db2.gz KAVJMEMCTXXPHF-LBPRGKRZSA-N 1 2 243.272 3.364 20 0 BGADLO Cc1ccccc1C[N@H+]1CCC[C@@H]1C(F)F ZINC000353197968 179273772 /nfs/dbraw/zinc/27/37/72/179273772.db2.gz XHVNPUOFKXFVGA-GFCCVEGCSA-N 1 2 225.282 3.225 20 0 BGADLO Cc1ccccc1C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353197968 179273770 /nfs/dbraw/zinc/27/37/70/179273770.db2.gz XHVNPUOFKXFVGA-GFCCVEGCSA-N 1 2 225.282 3.225 20 0 BGADLO Cc1ccccc1C[N@H+]1CCC[C@H]1C(F)F ZINC000353197969 179274972 /nfs/dbraw/zinc/27/49/72/179274972.db2.gz XHVNPUOFKXFVGA-LBPRGKRZSA-N 1 2 225.282 3.225 20 0 BGADLO Cc1ccccc1C[N@@H+]1CCC[C@H]1C(F)F ZINC000353197969 179274968 /nfs/dbraw/zinc/27/49/68/179274968.db2.gz XHVNPUOFKXFVGA-LBPRGKRZSA-N 1 2 225.282 3.225 20 0 BGADLO Cc1ccc(C[N@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000353204927 387154831 /nfs/dbraw/zinc/15/48/31/387154831.db2.gz SYEDTNKMFWKYTL-GFCCVEGCSA-N 1 2 225.282 3.225 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000353204927 387154826 /nfs/dbraw/zinc/15/48/26/387154826.db2.gz SYEDTNKMFWKYTL-GFCCVEGCSA-N 1 2 225.282 3.225 20 0 BGADLO Cc1ccc(C[N@H+]2CCC[C@H]2C(F)F)cc1 ZINC000353204929 387156676 /nfs/dbraw/zinc/15/66/76/387156676.db2.gz SYEDTNKMFWKYTL-LBPRGKRZSA-N 1 2 225.282 3.225 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(F)F)cc1 ZINC000353204929 387156671 /nfs/dbraw/zinc/15/66/71/387156671.db2.gz SYEDTNKMFWKYTL-LBPRGKRZSA-N 1 2 225.282 3.225 20 0 BGADLO Cc1nocc1C[N@H+](C)Cc1cc(C)ccc1F ZINC000353217913 387158065 /nfs/dbraw/zinc/15/80/65/387158065.db2.gz IHCLRIBTXGXSHI-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1nocc1C[N@@H+](C)Cc1cc(C)ccc1F ZINC000353217913 387158058 /nfs/dbraw/zinc/15/80/58/387158058.db2.gz IHCLRIBTXGXSHI-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1cc[nH+]cc1NCc1ccccc1N(C)C ZINC000353227346 387161029 /nfs/dbraw/zinc/16/10/29/387161029.db2.gz PCSVXTNDWVEDKF-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO C[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)CC1(C)C ZINC000353275831 132268841 /nfs/dbraw/zinc/26/88/41/132268841.db2.gz KOFRDVBBMDIWIT-LLVKDONJSA-N 1 2 245.370 3.226 20 0 BGADLO C[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)CC1(C)C ZINC000353275832 132268750 /nfs/dbraw/zinc/26/87/50/132268750.db2.gz KOFRDVBBMDIWIT-NSHDSACASA-N 1 2 245.370 3.226 20 0 BGADLO Cc1nc(N2CC[C@H](C)C(C)(C)C2)c(C)c(C)[nH+]1 ZINC000353279767 132268577 /nfs/dbraw/zinc/26/85/77/132268577.db2.gz XKJLKEGTLFAQBJ-JTQLQIEISA-N 1 2 247.386 3.274 20 0 BGADLO Cc1nc(N2CC[C@@H](C)C(C)(C)C2)c(C)c(C)[nH+]1 ZINC000353279768 132268567 /nfs/dbraw/zinc/26/85/67/132268567.db2.gz XKJLKEGTLFAQBJ-SNVBAGLBSA-N 1 2 247.386 3.274 20 0 BGADLO CC(C)c1nc(N2CC[C@@H](C)C(C)(C)C2)cc[nH+]1 ZINC000353282280 534910068 /nfs/dbraw/zinc/91/00/68/534910068.db2.gz NONVIKBYVQLCNM-GFCCVEGCSA-N 1 2 247.386 3.472 20 0 BGADLO CC(C)c1nc(N2CC[C@H](C)C(C)(C)C2)cc[nH+]1 ZINC000353282281 534910428 /nfs/dbraw/zinc/91/04/28/534910428.db2.gz NONVIKBYVQLCNM-LBPRGKRZSA-N 1 2 247.386 3.472 20 0 BGADLO CCC[C@@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000353374452 169352016 /nfs/dbraw/zinc/35/20/16/169352016.db2.gz LJDHNPFBMATFRJ-SECBINFHSA-N 1 2 234.343 3.382 20 0 BGADLO CCC[C@H](C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000353374453 387189162 /nfs/dbraw/zinc/18/91/62/387189162.db2.gz LJDHNPFBMATFRJ-VIFPVBQESA-N 1 2 234.343 3.382 20 0 BGADLO Clc1ccc(C[NH+]2Cc3ccccc3C2)o1 ZINC000353397538 387195538 /nfs/dbraw/zinc/19/55/38/387195538.db2.gz XLTBGDFFODIBLF-UHFFFAOYSA-N 1 2 233.698 3.449 20 0 BGADLO CC[N@@H+](CCCOC)c1cccc(C)c1C ZINC000353438746 387202673 /nfs/dbraw/zinc/20/26/73/387202673.db2.gz VGVZFVCWCWDGNT-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO CC[N@H+](CCCOC)c1cccc(C)c1C ZINC000353438746 387202667 /nfs/dbraw/zinc/20/26/67/387202667.db2.gz VGVZFVCWCWDGNT-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO Cc1sccc1C[N@H+]1CCC[C@H]1C(F)F ZINC000353483255 387211573 /nfs/dbraw/zinc/21/15/73/387211573.db2.gz QLXVBYQOEGONEJ-JTQLQIEISA-N 1 2 231.311 3.286 20 0 BGADLO Cc1sccc1C[N@@H+]1CCC[C@H]1C(F)F ZINC000353483255 387211571 /nfs/dbraw/zinc/21/15/71/387211571.db2.gz QLXVBYQOEGONEJ-JTQLQIEISA-N 1 2 231.311 3.286 20 0 BGADLO Cc1sccc1C[N@H+]1CCC[C@@H]1C(F)F ZINC000353483256 387211870 /nfs/dbraw/zinc/21/18/70/387211870.db2.gz QLXVBYQOEGONEJ-SNVBAGLBSA-N 1 2 231.311 3.286 20 0 BGADLO Cc1sccc1C[N@@H+]1CCC[C@@H]1C(F)F ZINC000353483256 387211863 /nfs/dbraw/zinc/21/18/63/387211863.db2.gz QLXVBYQOEGONEJ-SNVBAGLBSA-N 1 2 231.311 3.286 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)CC2(C)C)cc[nH+]1 ZINC000353486979 387213426 /nfs/dbraw/zinc/21/34/26/387213426.db2.gz JEQQZAFEXMGTHO-LLVKDONJSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N2C[C@@H](C)CC2(C)C)cc[nH+]1 ZINC000353486980 387212622 /nfs/dbraw/zinc/21/26/22/387212622.db2.gz JEQQZAFEXMGTHO-NSHDSACASA-N 1 2 233.359 3.225 20 0 BGADLO Cc1[nH]c2ccc(NC(=O)[C@H](C)C(C)C)cc2[nH+]1 ZINC000353544398 180094987 /nfs/dbraw/zinc/09/49/87/180094987.db2.gz RBCMAUDKROUZOD-SECBINFHSA-N 1 2 245.326 3.102 20 0 BGADLO Cc1[nH]c2ccc(NC(=O)[C@@H](C)C(C)C)cc2[nH+]1 ZINC000353544399 180094785 /nfs/dbraw/zinc/09/47/85/180094785.db2.gz RBCMAUDKROUZOD-VIFPVBQESA-N 1 2 245.326 3.102 20 0 BGADLO CC(C)CN(Cc1c[nH+]cn1C)c1ccccc1 ZINC000353546844 166961377 /nfs/dbraw/zinc/96/13/77/166961377.db2.gz WWRIFFMJQTVGSF-UHFFFAOYSA-N 1 2 243.354 3.083 20 0 BGADLO COCCC[N@@H+](CC(C)C)c1ccccc1 ZINC000353547871 174222494 /nfs/dbraw/zinc/22/24/94/174222494.db2.gz DYUZWPWWWUSEPM-UHFFFAOYSA-N 1 2 221.344 3.186 20 0 BGADLO COCCC[N@H+](CC(C)C)c1ccccc1 ZINC000353547871 174222492 /nfs/dbraw/zinc/22/24/92/174222492.db2.gz DYUZWPWWWUSEPM-UHFFFAOYSA-N 1 2 221.344 3.186 20 0 BGADLO C[C@@H](Nc1ccc2scnc2c1)c1[nH]cc[nH+]1 ZINC000353604487 541483735 /nfs/dbraw/zinc/48/37/35/541483735.db2.gz JBFGNVFTVJUUJC-MRVPVSSYSA-N 1 2 244.323 3.193 20 0 BGADLO C[C@H](Nc1ccc2scnc2c1)c1[nH]cc[nH+]1 ZINC000353604489 541483750 /nfs/dbraw/zinc/48/37/50/541483750.db2.gz JBFGNVFTVJUUJC-QMMMGPOBSA-N 1 2 244.323 3.193 20 0 BGADLO CCCOc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000353615731 538753425 /nfs/dbraw/zinc/75/34/25/538753425.db2.gz AIJUCGBFTBBODV-LLVKDONJSA-N 1 2 245.326 3.372 20 0 BGADLO CCCOc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000353615732 538752872 /nfs/dbraw/zinc/75/28/72/538752872.db2.gz AIJUCGBFTBBODV-NSHDSACASA-N 1 2 245.326 3.372 20 0 BGADLO CCc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1F ZINC000353644757 541484450 /nfs/dbraw/zinc/48/44/50/541484450.db2.gz FIHIKRXHRCIVCI-SECBINFHSA-N 1 2 233.290 3.284 20 0 BGADLO CCc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1F ZINC000353644760 541484397 /nfs/dbraw/zinc/48/43/97/541484397.db2.gz FIHIKRXHRCIVCI-VIFPVBQESA-N 1 2 233.290 3.284 20 0 BGADLO CO[C@H](C)c1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000353647524 541484504 /nfs/dbraw/zinc/48/45/04/541484504.db2.gz LLIBMKXUGXIUQJ-GHMZBOCLSA-N 1 2 245.326 3.290 20 0 BGADLO CO[C@@H](C)c1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000353647525 541484161 /nfs/dbraw/zinc/48/41/61/541484161.db2.gz LLIBMKXUGXIUQJ-MNOVXSKESA-N 1 2 245.326 3.290 20 0 BGADLO CO[C@@H](C)c1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000353647528 541484289 /nfs/dbraw/zinc/48/42/89/541484289.db2.gz LLIBMKXUGXIUQJ-QWRGUYRKSA-N 1 2 245.326 3.290 20 0 BGADLO CO[C@H](C)c1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000353647532 541484609 /nfs/dbraw/zinc/48/46/09/541484609.db2.gz LLIBMKXUGXIUQJ-WDEREUQCSA-N 1 2 245.326 3.290 20 0 BGADLO Fc1cc(C[N@H+]2CCC23CCC3)cc(F)c1F ZINC000353649675 387248803 /nfs/dbraw/zinc/24/88/03/387248803.db2.gz SYQXZDXTNLCWHT-UHFFFAOYSA-N 1 2 241.256 3.232 20 0 BGADLO Fc1cc(C[N@@H+]2CCC23CCC3)cc(F)c1F ZINC000353649675 387248799 /nfs/dbraw/zinc/24/87/99/387248799.db2.gz SYQXZDXTNLCWHT-UHFFFAOYSA-N 1 2 241.256 3.232 20 0 BGADLO CCc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1C ZINC000353662710 538754421 /nfs/dbraw/zinc/75/44/21/538754421.db2.gz BMGPQGSFVBGQGO-LLVKDONJSA-N 1 2 229.327 3.454 20 0 BGADLO CCc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1C ZINC000353662711 538754514 /nfs/dbraw/zinc/75/45/14/538754514.db2.gz BMGPQGSFVBGQGO-NSHDSACASA-N 1 2 229.327 3.454 20 0 BGADLO Fc1cc(F)c(C[N@H+]2CCC23CCC3)cc1F ZINC000353665861 387253735 /nfs/dbraw/zinc/25/37/35/387253735.db2.gz LVQAHDUYGGMZOY-UHFFFAOYSA-N 1 2 241.256 3.232 20 0 BGADLO Fc1cc(F)c(C[N@@H+]2CCC23CCC3)cc1F ZINC000353665861 387253732 /nfs/dbraw/zinc/25/37/32/387253732.db2.gz LVQAHDUYGGMZOY-UHFFFAOYSA-N 1 2 241.256 3.232 20 0 BGADLO CCOCc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000353668247 538753993 /nfs/dbraw/zinc/75/39/93/538753993.db2.gz XHDMYOOEAJKFSY-LLVKDONJSA-N 1 2 245.326 3.119 20 0 BGADLO CCOCc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000353668248 538754826 /nfs/dbraw/zinc/75/48/26/538754826.db2.gz XHDMYOOEAJKFSY-NSHDSACASA-N 1 2 245.326 3.119 20 0 BGADLO CSCc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000353668292 387256332 /nfs/dbraw/zinc/25/63/32/387256332.db2.gz XWTZLSZHEXYKGF-JTQLQIEISA-N 1 2 247.367 3.446 20 0 BGADLO CSCc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000353668293 387256175 /nfs/dbraw/zinc/25/61/75/387256175.db2.gz XWTZLSZHEXYKGF-SNVBAGLBSA-N 1 2 247.367 3.446 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]C2(c3ccccc3)CC2)no1 ZINC000353681661 178222631 /nfs/dbraw/zinc/22/26/31/178222631.db2.gz WMNZDJGQTUKPOQ-GFCCVEGCSA-N 1 2 242.322 3.323 20 0 BGADLO Cc1cc([C@H](C)[NH2+]C2(c3ccccc3)CC2)no1 ZINC000353681663 178245415 /nfs/dbraw/zinc/24/54/15/178245415.db2.gz WMNZDJGQTUKPOQ-LBPRGKRZSA-N 1 2 242.322 3.323 20 0 BGADLO C[C@H](Nc1ccc2ccn(C)c2c1)c1[nH]cc[nH+]1 ZINC000353685382 538761598 /nfs/dbraw/zinc/76/15/98/538761598.db2.gz VIJQLJMYLBCQJW-JTQLQIEISA-N 1 2 240.310 3.075 20 0 BGADLO C[C@@H](Nc1ccc2ccn(C)c2c1)c1[nH]cc[nH+]1 ZINC000353685387 538760454 /nfs/dbraw/zinc/76/04/54/538760454.db2.gz VIJQLJMYLBCQJW-SNVBAGLBSA-N 1 2 240.310 3.075 20 0 BGADLO CC[C@@H](C)n1ncc(N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000353686040 538761697 /nfs/dbraw/zinc/76/16/97/538761697.db2.gz JJALVGBRBPTZEW-NXEZZACHSA-N 1 2 247.346 3.059 20 0 BGADLO CC[C@H](C)n1ncc(N[C@@H](C)c2[nH]cc[nH+]2)c1C ZINC000353686041 538760434 /nfs/dbraw/zinc/76/04/34/538760434.db2.gz JJALVGBRBPTZEW-UWVGGRQHSA-N 1 2 247.346 3.059 20 0 BGADLO CC[C@H](C)n1ncc(N[C@H](C)c2[nH]cc[nH+]2)c1C ZINC000353686042 538761814 /nfs/dbraw/zinc/76/18/14/538761814.db2.gz JJALVGBRBPTZEW-VHSXEESVSA-N 1 2 247.346 3.059 20 0 BGADLO CC[C@@H](C)n1ncc(N[C@@H](C)c2[nH]cc[nH+]2)c1C ZINC000353686043 538760996 /nfs/dbraw/zinc/76/09/96/538760996.db2.gz JJALVGBRBPTZEW-ZJUUUORDSA-N 1 2 247.346 3.059 20 0 BGADLO Cc1cccc(C[N@H+](C)Cc2ccccc2F)n1 ZINC000353751103 179066547 /nfs/dbraw/zinc/06/65/47/179066547.db2.gz ZYIHAMUIZIXVJT-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1cccc(C[N@@H+](C)Cc2ccccc2F)n1 ZINC000353751103 179066545 /nfs/dbraw/zinc/06/65/45/179066545.db2.gz ZYIHAMUIZIXVJT-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1ccc(CCCNc2ccccc2)c[nH+]1 ZINC000353813319 387280001 /nfs/dbraw/zinc/28/00/01/387280001.db2.gz ILMJMGJYECNERI-UHFFFAOYSA-N 1 2 226.323 3.435 20 0 BGADLO C/C(=C/c1ccccc1)C[N@H+](C)Cc1ccon1 ZINC000353818530 387280885 /nfs/dbraw/zinc/28/08/85/387280885.db2.gz HZAVMHRJWDMAJU-RAXLEYEMSA-N 1 2 242.322 3.210 20 0 BGADLO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ccon1 ZINC000353818530 387280880 /nfs/dbraw/zinc/28/08/80/387280880.db2.gz HZAVMHRJWDMAJU-RAXLEYEMSA-N 1 2 242.322 3.210 20 0 BGADLO C[N@@H+](Cc1ccon1)Cc1coc2ccccc12 ZINC000353826753 387283027 /nfs/dbraw/zinc/28/30/27/387283027.db2.gz ZNSXQUITQPOJTD-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO C[N@H+](Cc1ccon1)Cc1coc2ccccc12 ZINC000353826753 387283024 /nfs/dbraw/zinc/28/30/24/387283024.db2.gz ZNSXQUITQPOJTD-UHFFFAOYSA-N 1 2 242.278 3.053 20 0 BGADLO CC1=CC[N@@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC000353846711 168114677 /nfs/dbraw/zinc/11/46/77/168114677.db2.gz QRVYYISQWLKSAP-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CC1=CC[N@H+](Cc2cc(F)c(F)cc2F)CC1 ZINC000353846711 168114675 /nfs/dbraw/zinc/11/46/75/168114675.db2.gz QRVYYISQWLKSAP-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CCc1cc(N[C@@H](C)c2[nH+]ccn2C)ccc1F ZINC000353853917 387285437 /nfs/dbraw/zinc/28/54/37/387285437.db2.gz HHABAVFVJJRBIS-JTQLQIEISA-N 1 2 247.317 3.295 20 0 BGADLO CCc1cc(N[C@H](C)c2[nH+]ccn2C)ccc1F ZINC000353853918 387285289 /nfs/dbraw/zinc/28/52/89/387285289.db2.gz HHABAVFVJJRBIS-SNVBAGLBSA-N 1 2 247.317 3.295 20 0 BGADLO CC1=CC[N@@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000353879697 168113989 /nfs/dbraw/zinc/11/39/89/168113989.db2.gz HIPIOZGYLYFTDF-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CC1=CC[N@H+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000353879697 168113986 /nfs/dbraw/zinc/11/39/86/168113986.db2.gz HIPIOZGYLYFTDF-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CC(C)c1ncc(C[N@@H+](C)Cc2ccc[nH]2)s1 ZINC000354026672 187374677 /nfs/dbraw/zinc/37/46/77/187374677.db2.gz XNKMUSCLSKAKPG-UHFFFAOYSA-N 1 2 249.383 3.227 20 0 BGADLO CC(C)c1ncc(C[N@H+](C)Cc2ccc[nH]2)s1 ZINC000354026672 187374675 /nfs/dbraw/zinc/37/46/75/187374675.db2.gz XNKMUSCLSKAKPG-UHFFFAOYSA-N 1 2 249.383 3.227 20 0 BGADLO CC(C)CN(c1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000354036865 385965951 /nfs/dbraw/zinc/96/59/51/385965951.db2.gz BEHINBBLWLTBRU-UHFFFAOYSA-N 1 2 233.359 3.225 20 0 BGADLO CCC[C@@H](C)N(C)c1cc[nH+]c(C(C)C)n1 ZINC000354037065 169366817 /nfs/dbraw/zinc/36/68/17/169366817.db2.gz BUJRRUKMZOFEMH-LLVKDONJSA-N 1 2 221.348 3.225 20 0 BGADLO CCC[C@H](C)N(C)c1cc[nH+]c(C(C)C)n1 ZINC000354037066 169490439 /nfs/dbraw/zinc/49/04/39/169490439.db2.gz BUJRRUKMZOFEMH-NSHDSACASA-N 1 2 221.348 3.225 20 0 BGADLO CCCN(CCC)c1cc[nH+]c(C(C)C)n1 ZINC000354046545 169154432 /nfs/dbraw/zinc/15/44/32/169154432.db2.gz DFBHKYWDGOOAMQ-UHFFFAOYSA-N 1 2 221.348 3.226 20 0 BGADLO CC(C)c1nc(N(C)[C@H](C)C(C)C)cc[nH+]1 ZINC000354047303 188235929 /nfs/dbraw/zinc/23/59/29/188235929.db2.gz JZCPUZZLZWTAQY-LLVKDONJSA-N 1 2 221.348 3.081 20 0 BGADLO CC(C)c1nc(N(C)[C@@H](C)C(C)C)cc[nH+]1 ZINC000354047304 188418073 /nfs/dbraw/zinc/41/80/73/188418073.db2.gz JZCPUZZLZWTAQY-NSHDSACASA-N 1 2 221.348 3.081 20 0 BGADLO CCNc1[nH+]cccc1OCc1ccccc1 ZINC000354063576 170178514 /nfs/dbraw/zinc/17/85/14/170178514.db2.gz BSGGNRLQIUDJGX-UHFFFAOYSA-N 1 2 228.295 3.092 20 0 BGADLO CC(C)c1nc(N[C@H]2CC[C@@H](C)C[C@@H]2C)cc[nH+]1 ZINC000354086552 387327685 /nfs/dbraw/zinc/32/76/85/387327685.db2.gz QXSIBRCUHXPUKU-AGIUHOORSA-N 1 2 247.386 3.259 20 0 BGADLO CC(C)c1nc(N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc[nH+]1 ZINC000354086553 387328108 /nfs/dbraw/zinc/32/81/08/387328108.db2.gz QXSIBRCUHXPUKU-FRRDWIJNSA-N 1 2 247.386 3.259 20 0 BGADLO CC(C)c1nc(N[C@@H]2CC[C@@H](C)C[C@H]2C)cc[nH+]1 ZINC000354086554 387328104 /nfs/dbraw/zinc/32/81/04/387328104.db2.gz QXSIBRCUHXPUKU-JHJVBQTASA-N 1 2 247.386 3.259 20 0 BGADLO CC(C)c1nc(N[C@H]2CC[C@@H](C)C[C@H]2C)cc[nH+]1 ZINC000354086555 387327021 /nfs/dbraw/zinc/32/70/21/387327021.db2.gz QXSIBRCUHXPUKU-UPJWGTAASA-N 1 2 247.386 3.259 20 0 BGADLO C[C@@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC000354086792 177355904 /nfs/dbraw/zinc/35/59/04/177355904.db2.gz UETQGEYAKRWFRR-MDZLAQPJSA-N 1 2 245.370 3.013 20 0 BGADLO C[C@@H]1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC000354086793 176209921 /nfs/dbraw/zinc/20/99/21/176209921.db2.gz UETQGEYAKRWFRR-NQBHXWOUSA-N 1 2 245.370 3.013 20 0 BGADLO C[C@@H]1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)[C@@H](C)C1 ZINC000354086794 177356663 /nfs/dbraw/zinc/35/66/63/177356663.db2.gz UETQGEYAKRWFRR-NTZNESFSSA-N 1 2 245.370 3.013 20 0 BGADLO C[C@@H]1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)[C@H](C)C1 ZINC000354086795 176231661 /nfs/dbraw/zinc/23/16/61/176231661.db2.gz UETQGEYAKRWFRR-WZRBSPASSA-N 1 2 245.370 3.013 20 0 BGADLO CC[C@@H](C)CCC(=O)Nc1cccc2[nH+]ccn21 ZINC000354121427 387332310 /nfs/dbraw/zinc/33/23/10/387332310.db2.gz YIADHUQYKVIPBH-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CC[C@H](C)CCC(=O)Nc1cccc2[nH+]ccn21 ZINC000354121429 171268090 /nfs/dbraw/zinc/26/80/90/171268090.db2.gz YIADHUQYKVIPBH-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO CCc1cccc(F)c1CNc1cccc[nH+]1 ZINC000354173178 387341268 /nfs/dbraw/zinc/34/12/68/387341268.db2.gz HMQOROJCNNPFRP-UHFFFAOYSA-N 1 2 230.286 3.395 20 0 BGADLO CC(C)CN(C)c1[nH+]ccc2ccc(F)cc21 ZINC000354324334 356735708 /nfs/dbraw/zinc/73/57/08/356735708.db2.gz NGCKAHAKMSSAMG-UHFFFAOYSA-N 1 2 232.302 3.466 20 0 BGADLO CC[C@H]1CCC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000354324414 387359929 /nfs/dbraw/zinc/35/99/29/387359929.db2.gz MTMCSZROWLGVQE-AAEUAGOBSA-N 1 2 245.370 3.157 20 0 BGADLO CC[C@@H]1CCC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000354324415 356735368 /nfs/dbraw/zinc/73/53/68/356735368.db2.gz MTMCSZROWLGVQE-DGCLKSJQSA-N 1 2 245.370 3.157 20 0 BGADLO CC[C@H]1CCC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000354324416 387360083 /nfs/dbraw/zinc/36/00/83/387360083.db2.gz MTMCSZROWLGVQE-WCQYABFASA-N 1 2 245.370 3.157 20 0 BGADLO CC[C@@H]1CCC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000354324417 356735058 /nfs/dbraw/zinc/73/50/58/356735058.db2.gz MTMCSZROWLGVQE-YPMHNXCESA-N 1 2 245.370 3.157 20 0 BGADLO Fc1ccc2cc[nH+]c(N[C@@H]3CCSC3)c2c1 ZINC000354327468 385112167 /nfs/dbraw/zinc/11/21/67/385112167.db2.gz INMUNIBYNVQUOO-LLVKDONJSA-N 1 2 248.326 3.291 20 0 BGADLO Fc1ccc2cc[nH+]c(N[C@H]3CCSC3)c2c1 ZINC000354327469 385113963 /nfs/dbraw/zinc/11/39/63/385113963.db2.gz INMUNIBYNVQUOO-NSHDSACASA-N 1 2 248.326 3.291 20 0 BGADLO CN(c1[nH+]ccc2ccc(F)cc21)C1CCC1 ZINC000354342134 387362524 /nfs/dbraw/zinc/36/25/24/387362524.db2.gz FDIPMOGYPNKYOT-UHFFFAOYSA-N 1 2 230.286 3.363 20 0 BGADLO COC(C)(C)CNc1[nH+]ccc2ccc(F)cc21 ZINC000354343161 387364091 /nfs/dbraw/zinc/36/40/91/387364091.db2.gz JWVAORLWXNRFFN-UHFFFAOYSA-N 1 2 248.301 3.211 20 0 BGADLO Fc1ccc2cc[nH+]c(NCCC3CC3)c2c1 ZINC000354343592 585021802 /nfs/dbraw/zinc/02/18/02/585021802.db2.gz OIIPVYBBZVWSBF-UHFFFAOYSA-N 1 2 230.286 3.008 20 0 BGADLO CCC1(C)CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000354377924 132269816 /nfs/dbraw/zinc/26/98/16/132269816.db2.gz FVTCUWMTFJGGOY-UHFFFAOYSA-N 1 2 247.386 3.418 20 0 BGADLO CCC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000354381692 132269976 /nfs/dbraw/zinc/26/99/76/132269976.db2.gz IXHLQHCWUYXFAR-UHFFFAOYSA-N 1 2 233.359 3.028 20 0 BGADLO CC[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000354386569 387369330 /nfs/dbraw/zinc/36/93/30/387369330.db2.gz JJJBSMGVCPKKKK-AWEZNQCLSA-N 1 2 247.386 3.418 20 0 BGADLO CC[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000354387581 356737124 /nfs/dbraw/zinc/73/71/24/356737124.db2.gz JJJBSMGVCPKKKK-CQSZACIVSA-N 1 2 247.386 3.418 20 0 BGADLO CCC1(CC)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000354415275 541431234 /nfs/dbraw/zinc/43/12/34/541431234.db2.gz FYHKWZGAAOMHSQ-UHFFFAOYSA-N 1 2 247.386 3.418 20 0 BGADLO CC[C@@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000354437082 171202288 /nfs/dbraw/zinc/20/22/88/171202288.db2.gz XHHPFCTZJYCFNP-AWEZNQCLSA-N 1 2 233.359 3.028 20 0 BGADLO CC[C@]1(C)CCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000354437085 488198501 /nfs/dbraw/zinc/19/85/01/488198501.db2.gz XHHPFCTZJYCFNP-CQSZACIVSA-N 1 2 233.359 3.028 20 0 BGADLO CCOC[C@@H]1CCC[C@H]1Nc1ccc(C)[nH+]c1 ZINC000354462404 385421789 /nfs/dbraw/zinc/42/17/89/385421789.db2.gz NFAXSLAFUYFVLU-GXTWGEPZSA-N 1 2 234.343 3.007 20 0 BGADLO CCOC[C@@H]1CCC[C@@H]1Nc1ccc(C)[nH+]c1 ZINC000354462407 385421839 /nfs/dbraw/zinc/42/18/39/385421839.db2.gz NFAXSLAFUYFVLU-JSGCOSHPSA-N 1 2 234.343 3.007 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC000354521493 397968209 /nfs/dbraw/zinc/96/82/09/397968209.db2.gz NKXKNPLIPHIPIK-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000354521493 397968203 /nfs/dbraw/zinc/96/82/03/397968203.db2.gz NKXKNPLIPHIPIK-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(Cl)c1 ZINC000354521494 397968639 /nfs/dbraw/zinc/96/86/39/397968639.db2.gz NKXKNPLIPHIPIK-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(Cl)c1 ZINC000354521494 397968636 /nfs/dbraw/zinc/96/86/36/397968636.db2.gz NKXKNPLIPHIPIK-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO CCCc1csc(C[N@H+]2CCC[C@@H]2CF)n1 ZINC000354521833 387387169 /nfs/dbraw/zinc/38/71/69/387387169.db2.gz OWCCXWAXECENFJ-LLVKDONJSA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1csc(C[N@@H+]2CCC[C@@H]2CF)n1 ZINC000354521833 387387165 /nfs/dbraw/zinc/38/71/65/387387165.db2.gz OWCCXWAXECENFJ-LLVKDONJSA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1csc(C[N@H+]2CCC[C@H]2CF)n1 ZINC000354521834 188063414 /nfs/dbraw/zinc/06/34/14/188063414.db2.gz OWCCXWAXECENFJ-NSHDSACASA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1csc(C[N@@H+]2CCC[C@H]2CF)n1 ZINC000354521834 188063412 /nfs/dbraw/zinc/06/34/12/188063412.db2.gz OWCCXWAXECENFJ-NSHDSACASA-N 1 2 242.363 3.030 20 0 BGADLO CC(C)c1cnc(C[N@H+]2CCC[C@H]2CF)s1 ZINC000354522840 188177760 /nfs/dbraw/zinc/17/77/60/188177760.db2.gz UYQRKKIJHJJDQS-JTQLQIEISA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1cnc(C[N@@H+]2CCC[C@H]2CF)s1 ZINC000354522840 188177758 /nfs/dbraw/zinc/17/77/58/188177758.db2.gz UYQRKKIJHJJDQS-JTQLQIEISA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1cnc(C[N@H+]2CCC[C@@H]2CF)s1 ZINC000354522850 385599244 /nfs/dbraw/zinc/59/92/44/385599244.db2.gz UYQRKKIJHJJDQS-SNVBAGLBSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1cnc(C[N@@H+]2CCC[C@@H]2CF)s1 ZINC000354522850 385599240 /nfs/dbraw/zinc/59/92/40/385599240.db2.gz UYQRKKIJHJJDQS-SNVBAGLBSA-N 1 2 242.363 3.200 20 0 BGADLO FC[C@H]1CCC[N@H+]1Cc1ccsc1Cl ZINC000354524202 387390406 /nfs/dbraw/zinc/39/04/06/387390406.db2.gz WRGBPOYMKSYUPK-SECBINFHSA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@H]1CCC[N@@H+]1Cc1ccsc1Cl ZINC000354524202 387390403 /nfs/dbraw/zinc/39/04/03/387390403.db2.gz WRGBPOYMKSYUPK-SECBINFHSA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@@H]1CCC[N@H+]1Cc1ccsc1Cl ZINC000354524203 387390427 /nfs/dbraw/zinc/39/04/27/387390427.db2.gz WRGBPOYMKSYUPK-VIFPVBQESA-N 1 2 233.739 3.335 20 0 BGADLO FC[C@@H]1CCC[N@@H+]1Cc1ccsc1Cl ZINC000354524203 387390423 /nfs/dbraw/zinc/39/04/23/387390423.db2.gz WRGBPOYMKSYUPK-VIFPVBQESA-N 1 2 233.739 3.335 20 0 BGADLO CO[C@H](C)COc1cc(C)[nH+]c2c(C)cccc12 ZINC000354535453 387391396 /nfs/dbraw/zinc/39/13/96/387391396.db2.gz IYHBUJDPZOHCPU-GFCCVEGCSA-N 1 2 245.322 3.265 20 0 BGADLO CO[C@@H](C)COc1cc(C)[nH+]c2c(C)cccc12 ZINC000354535454 387391914 /nfs/dbraw/zinc/39/19/14/387391914.db2.gz IYHBUJDPZOHCPU-LBPRGKRZSA-N 1 2 245.322 3.265 20 0 BGADLO COCCCOc1cc(C)[nH+]c2c(C)cccc12 ZINC000354543540 174257256 /nfs/dbraw/zinc/25/72/56/174257256.db2.gz XKLQWIWZDWLCMX-UHFFFAOYSA-N 1 2 245.322 3.267 20 0 BGADLO C[C@H]1CCCN1c1[nH+]ccc2ccc(F)cc21 ZINC000354543814 177112770 /nfs/dbraw/zinc/11/27/70/177112770.db2.gz PUJRLDYOLSOVPL-JTQLQIEISA-N 1 2 230.286 3.363 20 0 BGADLO C[C@@H]1CCCN1c1[nH+]ccc2ccc(F)cc21 ZINC000354543816 176111961 /nfs/dbraw/zinc/11/19/61/176111961.db2.gz PUJRLDYOLSOVPL-SNVBAGLBSA-N 1 2 230.286 3.363 20 0 BGADLO C[C@@H]1CN(c2[nH+]ccc3ccc(F)cc32)C[C@H]1C ZINC000354550793 176320843 /nfs/dbraw/zinc/32/08/43/176320843.db2.gz YMWUXKCTEQEEMI-GHMZBOCLSA-N 1 2 244.313 3.466 20 0 BGADLO C[C@H]1CN(c2[nH+]ccc3ccc(F)cc32)C[C@H]1C ZINC000354550795 176320575 /nfs/dbraw/zinc/32/05/75/176320575.db2.gz YMWUXKCTEQEEMI-PHIMTYICSA-N 1 2 244.313 3.466 20 0 BGADLO C[C@H]1CN(c2[nH+]ccc3ccc(F)cc32)C[C@@H]1C ZINC000354550799 177277982 /nfs/dbraw/zinc/27/79/82/177277982.db2.gz YMWUXKCTEQEEMI-QWRGUYRKSA-N 1 2 244.313 3.466 20 0 BGADLO CCOCCOc1cc(C)[nH+]c2c(C)cccc12 ZINC000354550960 387393837 /nfs/dbraw/zinc/39/38/37/387393837.db2.gz XLNFEMHODVMIHF-UHFFFAOYSA-N 1 2 245.322 3.267 20 0 BGADLO COC[C@@H](C)CNc1[nH+]ccc2ccc(F)cc21 ZINC000354559337 387396608 /nfs/dbraw/zinc/39/66/08/387396608.db2.gz KCEUAGNGRPMFFW-JTQLQIEISA-N 1 2 248.301 3.068 20 0 BGADLO COC[C@H](C)CNc1[nH+]ccc2ccc(F)cc21 ZINC000354559338 387395768 /nfs/dbraw/zinc/39/57/68/387395768.db2.gz KCEUAGNGRPMFFW-SNVBAGLBSA-N 1 2 248.301 3.068 20 0 BGADLO CCCN(C)c1[nH+]ccc2ccc(F)cc21 ZINC000354569572 169089816 /nfs/dbraw/zinc/08/98/16/169089816.db2.gz QARAAMUQIZMLMN-UHFFFAOYSA-N 1 2 218.275 3.220 20 0 BGADLO COCC[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354573277 385681191 /nfs/dbraw/zinc/68/11/91/385681191.db2.gz FKOVYDFNPHHHMR-JTQLQIEISA-N 1 2 248.301 3.211 20 0 BGADLO COCC[C@@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000354573279 174387637 /nfs/dbraw/zinc/38/76/37/174387637.db2.gz FKOVYDFNPHHHMR-SNVBAGLBSA-N 1 2 248.301 3.211 20 0 BGADLO CN(CC1CC1)c1[nH+]ccc2ccc(F)cc21 ZINC000354574854 387398489 /nfs/dbraw/zinc/39/84/89/387398489.db2.gz WKPYGVIRBRPDEY-UHFFFAOYSA-N 1 2 230.286 3.220 20 0 BGADLO CCOC[C@@H]1CCC[C@H]1Nc1c[nH+]cc(C)c1 ZINC000354589376 385586576 /nfs/dbraw/zinc/58/65/76/385586576.db2.gz YCEXBBVIJFUIOU-GXTWGEPZSA-N 1 2 234.343 3.007 20 0 BGADLO CCOC[C@@H]1CCC[C@@H]1Nc1c[nH+]cc(C)c1 ZINC000354589385 385586190 /nfs/dbraw/zinc/58/61/90/385586190.db2.gz YCEXBBVIJFUIOU-JSGCOSHPSA-N 1 2 234.343 3.007 20 0 BGADLO CCOC[C@H]1CCC[C@@H]1Nc1c[nH+]cc(C)c1 ZINC000354589386 385586293 /nfs/dbraw/zinc/58/62/93/385586293.db2.gz YCEXBBVIJFUIOU-OCCSQVGLSA-N 1 2 234.343 3.007 20 0 BGADLO CCOC[C@H]1CCC[C@H]1Nc1c[nH+]cc(C)c1 ZINC000354589387 385586275 /nfs/dbraw/zinc/58/62/75/385586275.db2.gz YCEXBBVIJFUIOU-TZMCWYRMSA-N 1 2 234.343 3.007 20 0 BGADLO CCN(CCC1CC1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000354592858 169824684 /nfs/dbraw/zinc/82/46/84/169824684.db2.gz IYZCZOPYAUYDKF-UHFFFAOYSA-N 1 2 245.370 3.289 20 0 BGADLO CCN(CCC1CC1)c1cc[nH+]c(C(C)C)n1 ZINC000354597620 387401060 /nfs/dbraw/zinc/40/10/60/387401060.db2.gz QKUMBHZBNXKBRH-UHFFFAOYSA-N 1 2 233.359 3.226 20 0 BGADLO CCc1cccc(F)c1C[N@H+]1CCC=C(F)C1 ZINC000354636295 387407339 /nfs/dbraw/zinc/40/73/39/387407339.db2.gz SDOMXMSZYGGKDN-UHFFFAOYSA-N 1 2 237.293 3.447 20 0 BGADLO CCc1cccc(F)c1C[N@@H+]1CCC=C(F)C1 ZINC000354636295 387407334 /nfs/dbraw/zinc/40/73/34/387407334.db2.gz SDOMXMSZYGGKDN-UHFFFAOYSA-N 1 2 237.293 3.447 20 0 BGADLO C[C@H](O)CCC[N@@H+](CC1CCC1)c1ccccc1 ZINC000354735235 387423401 /nfs/dbraw/zinc/42/34/01/387423401.db2.gz PJXDFHQVZOQCNK-AWEZNQCLSA-N 1 2 247.382 3.454 20 0 BGADLO C[C@H](O)CCC[N@H+](CC1CCC1)c1ccccc1 ZINC000354735235 387423399 /nfs/dbraw/zinc/42/33/99/387423399.db2.gz PJXDFHQVZOQCNK-AWEZNQCLSA-N 1 2 247.382 3.454 20 0 BGADLO C[C@@H](O)CCC[N@@H+](CC1CCC1)c1ccccc1 ZINC000354735237 387423063 /nfs/dbraw/zinc/42/30/63/387423063.db2.gz PJXDFHQVZOQCNK-CQSZACIVSA-N 1 2 247.382 3.454 20 0 BGADLO C[C@@H](O)CCC[N@H+](CC1CCC1)c1ccccc1 ZINC000354735237 387423057 /nfs/dbraw/zinc/42/30/57/387423057.db2.gz PJXDFHQVZOQCNK-CQSZACIVSA-N 1 2 247.382 3.454 20 0 BGADLO C[C@@H](O)CCC[N@@H+](CC1CC1)c1ccccc1 ZINC000354735952 387426291 /nfs/dbraw/zinc/42/62/91/387426291.db2.gz PXSYQLQIRXCGNQ-CYBMUJFWSA-N 1 2 233.355 3.064 20 0 BGADLO C[C@@H](O)CCC[N@H+](CC1CC1)c1ccccc1 ZINC000354735952 387426288 /nfs/dbraw/zinc/42/62/88/387426288.db2.gz PXSYQLQIRXCGNQ-CYBMUJFWSA-N 1 2 233.355 3.064 20 0 BGADLO C[C@H](O)CCC[N@@H+](CC1CC1)c1ccccc1 ZINC000354735953 387425675 /nfs/dbraw/zinc/42/56/75/387425675.db2.gz PXSYQLQIRXCGNQ-ZDUSSCGKSA-N 1 2 233.355 3.064 20 0 BGADLO C[C@H](O)CCC[N@H+](CC1CC1)c1ccccc1 ZINC000354735953 387425673 /nfs/dbraw/zinc/42/56/73/387425673.db2.gz PXSYQLQIRXCGNQ-ZDUSSCGKSA-N 1 2 233.355 3.064 20 0 BGADLO Cc1cc(N2CCC(C)(C)CC2)nc(C2CC2)[nH+]1 ZINC000354797353 132270155 /nfs/dbraw/zinc/27/01/55/132270155.db2.gz AMZRIGVPKJABGZ-UHFFFAOYSA-N 1 2 245.370 3.289 20 0 BGADLO Cc1nc(N2CCC(C)(C)CC2)c(C)c(C)[nH+]1 ZINC000354805758 132270255 /nfs/dbraw/zinc/27/02/55/132270255.db2.gz MLQBMNHXCLIRIT-UHFFFAOYSA-N 1 2 233.359 3.028 20 0 BGADLO CC[N@@H+](CCC[C@@H](C)O)c1cccc(C)c1C ZINC000354814051 387431747 /nfs/dbraw/zinc/43/17/47/387431747.db2.gz DPEMGWUNIBBABP-CYBMUJFWSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC[C@@H](C)O)c1cccc(C)c1C ZINC000354814051 387431743 /nfs/dbraw/zinc/43/17/43/387431743.db2.gz DPEMGWUNIBBABP-CYBMUJFWSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@@H+](CCC[C@H](C)O)c1cccc(C)c1C ZINC000354814052 387431858 /nfs/dbraw/zinc/43/18/58/387431858.db2.gz DPEMGWUNIBBABP-ZDUSSCGKSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC[C@H](C)O)c1cccc(C)c1C ZINC000354814052 387431853 /nfs/dbraw/zinc/43/18/53/387431853.db2.gz DPEMGWUNIBBABP-ZDUSSCGKSA-N 1 2 235.371 3.291 20 0 BGADLO Cc1cccc([N@@H+](CCC[C@H](C)O)C(C)C)c1 ZINC000354846778 179119296 /nfs/dbraw/zinc/11/92/96/179119296.db2.gz YSHJUSCSHFBGQM-AWEZNQCLSA-N 1 2 235.371 3.371 20 0 BGADLO Cc1cccc([N@H+](CCC[C@H](C)O)C(C)C)c1 ZINC000354846778 179119293 /nfs/dbraw/zinc/11/92/93/179119293.db2.gz YSHJUSCSHFBGQM-AWEZNQCLSA-N 1 2 235.371 3.371 20 0 BGADLO Cc1cccc([N@@H+](CCC[C@@H](C)O)C(C)C)c1 ZINC000354846779 179119653 /nfs/dbraw/zinc/11/96/53/179119653.db2.gz YSHJUSCSHFBGQM-CQSZACIVSA-N 1 2 235.371 3.371 20 0 BGADLO Cc1cccc([N@H+](CCC[C@@H](C)O)C(C)C)c1 ZINC000354846779 179119652 /nfs/dbraw/zinc/11/96/52/179119652.db2.gz YSHJUSCSHFBGQM-CQSZACIVSA-N 1 2 235.371 3.371 20 0 BGADLO CC(C)[N@H+](CCC[C@@H](C)O)c1ccccc1 ZINC000354864769 188063400 /nfs/dbraw/zinc/06/34/00/188063400.db2.gz ZRJOLNOCFWQDIJ-CYBMUJFWSA-N 1 2 221.344 3.062 20 0 BGADLO CC(C)[N@@H+](CCC[C@@H](C)O)c1ccccc1 ZINC000354864769 188063398 /nfs/dbraw/zinc/06/33/98/188063398.db2.gz ZRJOLNOCFWQDIJ-CYBMUJFWSA-N 1 2 221.344 3.062 20 0 BGADLO CC(C)[N@H+](CCC[C@H](C)O)c1ccccc1 ZINC000354864770 387437940 /nfs/dbraw/zinc/43/79/40/387437940.db2.gz ZRJOLNOCFWQDIJ-ZDUSSCGKSA-N 1 2 221.344 3.062 20 0 BGADLO CC(C)[N@@H+](CCC[C@H](C)O)c1ccccc1 ZINC000354864770 387437938 /nfs/dbraw/zinc/43/79/38/387437938.db2.gz ZRJOLNOCFWQDIJ-ZDUSSCGKSA-N 1 2 221.344 3.062 20 0 BGADLO Cc1ccccc1[N@@H+](CCC[C@H](C)O)C(C)C ZINC000354864838 179296482 /nfs/dbraw/zinc/29/64/82/179296482.db2.gz QCYRUZALVUQRTF-AWEZNQCLSA-N 1 2 235.371 3.371 20 0 BGADLO Cc1ccccc1[N@H+](CCC[C@H](C)O)C(C)C ZINC000354864838 179296477 /nfs/dbraw/zinc/29/64/77/179296477.db2.gz QCYRUZALVUQRTF-AWEZNQCLSA-N 1 2 235.371 3.371 20 0 BGADLO Cc1ccccc1[N@@H+](CCC[C@@H](C)O)C(C)C ZINC000354864840 179296645 /nfs/dbraw/zinc/29/66/45/179296645.db2.gz QCYRUZALVUQRTF-CQSZACIVSA-N 1 2 235.371 3.371 20 0 BGADLO Cc1ccccc1[N@H+](CCC[C@@H](C)O)C(C)C ZINC000354864840 179296642 /nfs/dbraw/zinc/29/66/42/179296642.db2.gz QCYRUZALVUQRTF-CQSZACIVSA-N 1 2 235.371 3.371 20 0 BGADLO C[C@]1(F)CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000354879070 385775381 /nfs/dbraw/zinc/77/53/81/385775381.db2.gz AGNTWKRYONPFOU-AWEZNQCLSA-N 1 2 248.276 3.312 20 0 BGADLO C[C@@]1(F)CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000354879078 385775828 /nfs/dbraw/zinc/77/58/28/385775828.db2.gz AGNTWKRYONPFOU-CQSZACIVSA-N 1 2 248.276 3.312 20 0 BGADLO CC(C)(C)OCCCC[N@@H+](CC(F)F)C1CC1 ZINC000354891754 387442048 /nfs/dbraw/zinc/44/20/48/387442048.db2.gz KQLRVDZUYSMAJY-UHFFFAOYSA-N 1 2 249.345 3.311 20 0 BGADLO CC(C)(C)OCCCC[N@H+](CC(F)F)C1CC1 ZINC000354891754 387442043 /nfs/dbraw/zinc/44/20/43/387442043.db2.gz KQLRVDZUYSMAJY-UHFFFAOYSA-N 1 2 249.345 3.311 20 0 BGADLO Cc1ccoc1C[N@@H+](CC(F)F)CC1CCC1 ZINC000355135134 387484123 /nfs/dbraw/zinc/48/41/23/387484123.db2.gz NTDMREBESCMXPS-UHFFFAOYSA-N 1 2 243.297 3.455 20 0 BGADLO Cc1ccoc1C[N@H+](CC(F)F)CC1CCC1 ZINC000355135134 387484118 /nfs/dbraw/zinc/48/41/18/387484118.db2.gz NTDMREBESCMXPS-UHFFFAOYSA-N 1 2 243.297 3.455 20 0 BGADLO Fc1ccc2c(c1F)C[N@H+](Cc1ccco1)CC2 ZINC000355201453 398331789 /nfs/dbraw/zinc/33/17/89/398331789.db2.gz AUYKYDNFWLQVBZ-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO Fc1ccc2c(c1F)C[N@@H+](Cc1ccco1)CC2 ZINC000355201453 398331788 /nfs/dbraw/zinc/33/17/88/398331788.db2.gz AUYKYDNFWLQVBZ-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO CCC[C@@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355283478 169356719 /nfs/dbraw/zinc/35/67/19/169356719.db2.gz BHFPBYQCFPOVJD-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CCC[C@H](C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000355283479 387511770 /nfs/dbraw/zinc/51/17/70/387511770.db2.gz BHFPBYQCFPOVJD-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000355354425 387523572 /nfs/dbraw/zinc/52/35/72/387523572.db2.gz KPCFONHPYWRRHO-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000355354425 387523569 /nfs/dbraw/zinc/52/35/69/387523569.db2.gz KPCFONHPYWRRHO-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000355354426 387523849 /nfs/dbraw/zinc/52/38/49/387523849.db2.gz KPCFONHPYWRRHO-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000355354426 387523847 /nfs/dbraw/zinc/52/38/47/387523847.db2.gz KPCFONHPYWRRHO-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000355356300 387523370 /nfs/dbraw/zinc/52/33/70/387523370.db2.gz QIJBBJGZVQQTAD-GFCCVEGCSA-N 1 2 247.235 3.038 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000355356300 387523366 /nfs/dbraw/zinc/52/33/66/387523366.db2.gz QIJBBJGZVQQTAD-GFCCVEGCSA-N 1 2 247.235 3.038 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000355356301 387523984 /nfs/dbraw/zinc/52/39/84/387523984.db2.gz QIJBBJGZVQQTAD-LBPRGKRZSA-N 1 2 247.235 3.038 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000355356301 387523980 /nfs/dbraw/zinc/52/39/80/387523980.db2.gz QIJBBJGZVQQTAD-LBPRGKRZSA-N 1 2 247.235 3.038 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000355356798 387524108 /nfs/dbraw/zinc/52/41/08/387524108.db2.gz RYQRDHGDZPXDGX-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000355356798 387524107 /nfs/dbraw/zinc/52/41/07/387524107.db2.gz RYQRDHGDZPXDGX-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000355356800 177467761 /nfs/dbraw/zinc/46/77/61/177467761.db2.gz RYQRDHGDZPXDGX-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000355356800 177467759 /nfs/dbraw/zinc/46/77/59/177467759.db2.gz RYQRDHGDZPXDGX-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000355370967 387528418 /nfs/dbraw/zinc/52/84/18/387528418.db2.gz WEUCVLYMTWRUDI-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000355370967 387528417 /nfs/dbraw/zinc/52/84/17/387528417.db2.gz WEUCVLYMTWRUDI-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000355370970 387527653 /nfs/dbraw/zinc/52/76/53/387527653.db2.gz WEUCVLYMTWRUDI-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000355370970 387527649 /nfs/dbraw/zinc/52/76/49/387527649.db2.gz WEUCVLYMTWRUDI-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000355371094 387528603 /nfs/dbraw/zinc/52/86/03/387528603.db2.gz WVWAYZHPDICRMJ-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000355371094 387528599 /nfs/dbraw/zinc/52/85/99/387528599.db2.gz WVWAYZHPDICRMJ-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000355371098 387528263 /nfs/dbraw/zinc/52/82/63/387528263.db2.gz WVWAYZHPDICRMJ-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000355371098 387528262 /nfs/dbraw/zinc/52/82/62/387528262.db2.gz WVWAYZHPDICRMJ-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1csnn1 ZINC000355514683 179049836 /nfs/dbraw/zinc/04/98/36/179049836.db2.gz QHEXBDNVKNVCDQ-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1csnn1 ZINC000355514684 179049213 /nfs/dbraw/zinc/04/92/13/179049213.db2.gz QHEXBDNVKNVCDQ-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO C[C@@H]1CCCCN(c2cc[nH+]c3ccncc32)C1 ZINC000355786067 176065079 /nfs/dbraw/zinc/06/50/79/176065079.db2.gz RRQWOQLXHCZQMO-GFCCVEGCSA-N 1 2 241.338 3.256 20 0 BGADLO C[C@H]1CCCCN(c2cc[nH+]c3ccncc32)C1 ZINC000355786068 177071899 /nfs/dbraw/zinc/07/18/99/177071899.db2.gz RRQWOQLXHCZQMO-LBPRGKRZSA-N 1 2 241.338 3.256 20 0 BGADLO Cc1nc(NCC(C)(C)C2=CCCCC2)cc[nH+]1 ZINC000355790952 180180453 /nfs/dbraw/zinc/18/04/53/180180453.db2.gz YUWZGYQMDSBRGB-UHFFFAOYSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1ccc(CCCN(C)c2ccccc2)c[nH+]1 ZINC000356072080 387613298 /nfs/dbraw/zinc/61/32/98/387613298.db2.gz ZCXPKDPCVVJDEG-UHFFFAOYSA-N 1 2 240.350 3.459 20 0 BGADLO c1ccc(CCCOc2cc[nH+]cc2)cc1 ZINC000356086509 183391276 /nfs/dbraw/zinc/39/12/76/183391276.db2.gz CGGJNBQSVVILID-UHFFFAOYSA-N 1 2 213.280 3.093 20 0 BGADLO Cc1ccc(C)c(OCCOc2cc[nH+]cc2)c1 ZINC000356087345 385990288 /nfs/dbraw/zinc/99/02/88/385990288.db2.gz CTRQMGHPVRDGHM-UHFFFAOYSA-N 1 2 243.306 3.156 20 0 BGADLO Fc1ccc(OCCCOc2cc[nH+]cc2)cc1 ZINC000356087396 387614062 /nfs/dbraw/zinc/61/40/62/387614062.db2.gz DEZYJBLQKMNCER-UHFFFAOYSA-N 1 2 247.269 3.069 20 0 BGADLO Clc1ccccc1OCCOc1cc[nH+]cc1 ZINC000356087413 387614710 /nfs/dbraw/zinc/61/47/10/387614710.db2.gz DIGGMEGHIYLIRU-UHFFFAOYSA-N 1 2 249.697 3.193 20 0 BGADLO Cc1ccccc1CCCOc1cc[nH+]cc1 ZINC000356088519 179264240 /nfs/dbraw/zinc/26/42/40/179264240.db2.gz FHWYEDBDLAJXJV-UHFFFAOYSA-N 1 2 227.307 3.402 20 0 BGADLO Fc1cccc(Cl)c1COc1cc[nH+]cc1 ZINC000356089189 385995930 /nfs/dbraw/zinc/99/59/30/385995930.db2.gz FSCJLXPHEXSKQL-UHFFFAOYSA-N 1 2 237.661 3.453 20 0 BGADLO c1cc(OCC2CCCCCC2)cc[nH+]1 ZINC000356090218 183358083 /nfs/dbraw/zinc/35/80/83/183358083.db2.gz HKZVNDLWQFDAGH-UHFFFAOYSA-N 1 2 205.301 3.431 20 0 BGADLO Cc1ccccc1OCCCOc1cc[nH+]cc1 ZINC000356091193 179311164 /nfs/dbraw/zinc/31/11/64/179311164.db2.gz IBVOBZSTAABPCF-UHFFFAOYSA-N 1 2 243.306 3.238 20 0 BGADLO Cc1cc(C)cc(COc2cc[nH+]cc2)c1 ZINC000356091252 177902483 /nfs/dbraw/zinc/90/24/83/177902483.db2.gz IICSOVGICRSMAJ-UHFFFAOYSA-N 1 2 213.280 3.277 20 0 BGADLO Fc1ccc(COc2cc[nH+]cc2)c(Cl)c1 ZINC000356091401 387616001 /nfs/dbraw/zinc/61/60/01/387616001.db2.gz ISXAURAPPNEJKS-UHFFFAOYSA-N 1 2 237.661 3.453 20 0 BGADLO C(=C\c1ccccc1)\COc1cc[nH+]cc1 ZINC000356092286 166228812 /nfs/dbraw/zinc/22/88/12/166228812.db2.gz JJIXLCOWNILUQA-DAXSKMNVSA-N 1 2 211.264 3.174 20 0 BGADLO C(=C/c1ccccc1)\COc1cc[nH+]cc1 ZINC000356092301 187212082 /nfs/dbraw/zinc/21/20/82/187212082.db2.gz JJIXLCOWNILUQA-QPJJXVBHSA-N 1 2 211.264 3.174 20 0 BGADLO Cc1cccc(C)c1OCCOc1cc[nH+]cc1 ZINC000356093296 179045956 /nfs/dbraw/zinc/04/59/56/179045956.db2.gz KHJYYMDDUWBHEQ-UHFFFAOYSA-N 1 2 243.306 3.156 20 0 BGADLO C[C@@H]1CCC[C@H](COc2cc[nH+]cc2)C1 ZINC000356095680 176139433 /nfs/dbraw/zinc/13/94/33/176139433.db2.gz NMMOHXLHZFWBHA-NEPJUHHUSA-N 1 2 205.301 3.287 20 0 BGADLO C[C@H]1CCC[C@@H](COc2cc[nH+]cc2)C1 ZINC000356095681 177120409 /nfs/dbraw/zinc/12/04/09/177120409.db2.gz NMMOHXLHZFWBHA-NWDGAFQWSA-N 1 2 205.301 3.287 20 0 BGADLO C[C@H]1CCC[C@H](COc2cc[nH+]cc2)C1 ZINC000356095683 177134468 /nfs/dbraw/zinc/13/44/68/177134468.db2.gz NMMOHXLHZFWBHA-RYUDHWBXSA-N 1 2 205.301 3.287 20 0 BGADLO C[C@@H]1CCC[C@@H](COc2cc[nH+]cc2)C1 ZINC000356095685 176119954 /nfs/dbraw/zinc/11/99/54/176119954.db2.gz NMMOHXLHZFWBHA-VXGBXAGGSA-N 1 2 205.301 3.287 20 0 BGADLO Cc1cn[nH]c1C[N@H+](Cc1cccs1)C(C)C ZINC000356096132 387615617 /nfs/dbraw/zinc/61/56/17/387615617.db2.gz YLGBWCLOLGRTHO-UHFFFAOYSA-N 1 2 249.383 3.190 20 0 BGADLO Cc1cn[nH]c1C[N@@H+](Cc1cccs1)C(C)C ZINC000356096132 387615612 /nfs/dbraw/zinc/61/56/12/387615612.db2.gz YLGBWCLOLGRTHO-UHFFFAOYSA-N 1 2 249.383 3.190 20 0 BGADLO Cc1ccc(C)c(COc2cc[nH+]cc2)c1 ZINC000356097483 387616630 /nfs/dbraw/zinc/61/66/30/387616630.db2.gz OWYNLRPWFIRZGU-UHFFFAOYSA-N 1 2 213.280 3.277 20 0 BGADLO Clc1ccccc1COc1cc[nH+]cc1 ZINC000356098755 387616539 /nfs/dbraw/zinc/61/65/39/387616539.db2.gz QFUKPHVLRHEHTJ-UHFFFAOYSA-N 1 2 219.671 3.314 20 0 BGADLO Clc1cccc(OCCOc2cc[nH+]cc2)c1 ZINC000356101331 180592373 /nfs/dbraw/zinc/59/23/73/180592373.db2.gz UZGYCZMVLIHCGM-UHFFFAOYSA-N 1 2 249.697 3.193 20 0 BGADLO c1cc(OCCCC2CCCC2)cc[nH+]1 ZINC000356101925 183359292 /nfs/dbraw/zinc/35/92/92/183359292.db2.gz VTFMKYBWQBIJHD-UHFFFAOYSA-N 1 2 205.301 3.431 20 0 BGADLO CC(C)c1nc(COc2cc[nH+]cc2)cs1 ZINC000356103493 387616160 /nfs/dbraw/zinc/61/61/60/387616160.db2.gz YWNCUVFMDBXQQW-UHFFFAOYSA-N 1 2 234.324 3.241 20 0 BGADLO CC/C=C(/C)c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000356129894 387619753 /nfs/dbraw/zinc/61/97/53/387619753.db2.gz CPZVVBVAXWQJGL-YHYXMXQVSA-N 1 2 243.310 3.177 20 0 BGADLO CSC1(C[N@@H+](CC(F)F)C2CC2)CCC1 ZINC000356187205 387625760 /nfs/dbraw/zinc/62/57/60/387625760.db2.gz BRFWFMCYUDTSRD-UHFFFAOYSA-N 1 2 235.343 3.002 20 0 BGADLO CSC1(C[N@H+](CC(F)F)C2CC2)CCC1 ZINC000356187205 387625754 /nfs/dbraw/zinc/62/57/54/387625754.db2.gz BRFWFMCYUDTSRD-UHFFFAOYSA-N 1 2 235.343 3.002 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)CC(C)(C)C ZINC000356214632 387630271 /nfs/dbraw/zinc/63/02/71/387630271.db2.gz HLNKZCYAILNPDB-LLVKDONJSA-N 1 2 248.370 3.077 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)CC(C)(C)C ZINC000356214636 387629922 /nfs/dbraw/zinc/62/99/22/387629922.db2.gz HLNKZCYAILNPDB-NSHDSACASA-N 1 2 248.370 3.077 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cccs2)o1 ZINC000356266970 387635821 /nfs/dbraw/zinc/63/58/21/387635821.db2.gz LHNXAMAJTDYZQC-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cccs2)o1 ZINC000356266970 387635817 /nfs/dbraw/zinc/63/58/17/387635817.db2.gz LHNXAMAJTDYZQC-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cccs2)o1 ZINC000356266971 134177576 /nfs/dbraw/zinc/17/75/76/134177576.db2.gz LHNXAMAJTDYZQC-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cccs2)o1 ZINC000356266971 134177575 /nfs/dbraw/zinc/17/75/75/134177575.db2.gz LHNXAMAJTDYZQC-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO CC1(CNc2ccc(CO)c[nH+]2)CCCCCC1 ZINC000356308139 168048211 /nfs/dbraw/zinc/04/82/11/168048211.db2.gz SHGUIHYSYOOVEB-UHFFFAOYSA-N 1 2 248.370 3.346 20 0 BGADLO CC[N@@H+](Cc1nccs1)Cc1occc1C ZINC000356374819 356794123 /nfs/dbraw/zinc/79/41/23/356794123.db2.gz XMYSFUXVKZMLNZ-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CC[N@H+](Cc1nccs1)Cc1occc1C ZINC000356374819 356794119 /nfs/dbraw/zinc/79/41/19/356794119.db2.gz XMYSFUXVKZMLNZ-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CCCCN(c1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000356752915 387715000 /nfs/dbraw/zinc/71/50/00/387715000.db2.gz ANPIDBSPKGEBTK-UHFFFAOYSA-N 1 2 233.359 3.369 20 0 BGADLO CCCCN(c1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC000356757101 387715444 /nfs/dbraw/zinc/71/54/44/387715444.db2.gz AYCVGRDBSSLDMU-UHFFFAOYSA-N 1 2 245.370 3.431 20 0 BGADLO CCCCN(c1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000356769473 384470508 /nfs/dbraw/zinc/47/05/08/384470508.db2.gz NNHSUYZVPGVUMM-UHFFFAOYSA-N 1 2 231.343 3.123 20 0 BGADLO CCCCN(c1[nH+]c(C)nc2[nH]ccc21)C1CC1 ZINC000356777764 387719500 /nfs/dbraw/zinc/71/95/00/387719500.db2.gz RHMDWPFVLDGURT-UHFFFAOYSA-N 1 2 244.342 3.035 20 0 BGADLO CC(C)c1nc(N(C)[C@H](C)C2CCC2)cc[nH+]1 ZINC000356794754 187377308 /nfs/dbraw/zinc/37/73/08/187377308.db2.gz OVFLKMQDSAWCEF-LLVKDONJSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N(C)[C@@H](C)C2CCC2)cc[nH+]1 ZINC000356794757 187213457 /nfs/dbraw/zinc/21/34/57/187213457.db2.gz OVFLKMQDSAWCEF-NSHDSACASA-N 1 2 233.359 3.225 20 0 BGADLO Cc1cc(N(C)[C@H](C)C2CCC2)nc(C2CC2)[nH+]1 ZINC000356800106 178099894 /nfs/dbraw/zinc/09/98/94/178099894.db2.gz YNZAUTXTPGCMJH-LLVKDONJSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N(C)[C@@H](C)C2CCC2)nc(C2CC2)[nH+]1 ZINC000356800107 178100744 /nfs/dbraw/zinc/10/07/44/178100744.db2.gz YNZAUTXTPGCMJH-NSHDSACASA-N 1 2 245.370 3.287 20 0 BGADLO Fc1ccc(C2([NH2+]Cc3cscn3)CC2)cc1 ZINC000356878496 387739269 /nfs/dbraw/zinc/73/92/69/387739269.db2.gz PSOIOMFZZNTUIC-UHFFFAOYSA-N 1 2 248.326 3.061 20 0 BGADLO Fc1ccc(C2([NH2+]Cc3nccs3)CC2)cc1 ZINC000356886671 387741409 /nfs/dbraw/zinc/74/14/09/387741409.db2.gz YPOXXZCLUFPIQZ-UHFFFAOYSA-N 1 2 248.326 3.061 20 0 BGADLO Cc1ccc(C[N@H+](C)[C@H](C)c2ncc(C)o2)o1 ZINC000356956558 384636000 /nfs/dbraw/zinc/63/60/00/384636000.db2.gz MGINBYVZNBKODD-LLVKDONJSA-N 1 2 234.299 3.077 20 0 BGADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2ncc(C)o2)o1 ZINC000356956558 384635993 /nfs/dbraw/zinc/63/59/93/384635993.db2.gz MGINBYVZNBKODD-LLVKDONJSA-N 1 2 234.299 3.077 20 0 BGADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2ncc(C)o2)o1 ZINC000356956559 384634348 /nfs/dbraw/zinc/63/43/48/384634348.db2.gz MGINBYVZNBKODD-NSHDSACASA-N 1 2 234.299 3.077 20 0 BGADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ncc(C)o2)o1 ZINC000356956559 384634335 /nfs/dbraw/zinc/63/43/35/384634335.db2.gz MGINBYVZNBKODD-NSHDSACASA-N 1 2 234.299 3.077 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000356958745 384639061 /nfs/dbraw/zinc/63/90/61/384639061.db2.gz VDCULJRBLQQMFW-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000356958745 384639054 /nfs/dbraw/zinc/63/90/54/384639054.db2.gz VDCULJRBLQQMFW-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000356958754 384640174 /nfs/dbraw/zinc/64/01/74/384640174.db2.gz VDCULJRBLQQMFW-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000356958754 384640166 /nfs/dbraw/zinc/64/01/66/384640166.db2.gz VDCULJRBLQQMFW-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2cccc(F)c2)o1 ZINC000356959713 387753646 /nfs/dbraw/zinc/75/36/46/387753646.db2.gz ZNJJREHLPWVIAT-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2cccc(F)c2)o1 ZINC000356959713 387753641 /nfs/dbraw/zinc/75/36/41/387753641.db2.gz ZNJJREHLPWVIAT-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2cccc(F)c2)o1 ZINC000356959716 387754812 /nfs/dbraw/zinc/75/48/12/387754812.db2.gz ZNJJREHLPWVIAT-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc([C@H](C)[N@H+](C)Cc2cccc(F)c2)o1 ZINC000356959716 387754807 /nfs/dbraw/zinc/75/48/07/387754807.db2.gz ZNJJREHLPWVIAT-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000356973661 387757593 /nfs/dbraw/zinc/75/75/93/387757593.db2.gz YWRBJVQSKCFNCF-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000356973661 387757586 /nfs/dbraw/zinc/75/75/86/387757586.db2.gz YWRBJVQSKCFNCF-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000356973663 387756727 /nfs/dbraw/zinc/75/67/27/387756727.db2.gz YWRBJVQSKCFNCF-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccccc2)o1 ZINC000356973663 387756724 /nfs/dbraw/zinc/75/67/24/387756724.db2.gz YWRBJVQSKCFNCF-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccccc2F)o1 ZINC000356975115 387756090 /nfs/dbraw/zinc/75/60/90/387756090.db2.gz JMVURTBJPOHYAX-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccccc2F)o1 ZINC000356975115 387756086 /nfs/dbraw/zinc/75/60/86/387756086.db2.gz JMVURTBJPOHYAX-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccccc2F)o1 ZINC000356975117 387757230 /nfs/dbraw/zinc/75/72/30/387757230.db2.gz JMVURTBJPOHYAX-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccccc2F)o1 ZINC000356975117 387757226 /nfs/dbraw/zinc/75/72/26/387757226.db2.gz JMVURTBJPOHYAX-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccc1Cl ZINC000356995405 387762731 /nfs/dbraw/zinc/76/27/31/387762731.db2.gz PPBMEKPKWBUJEZ-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1Cl ZINC000356995405 387762728 /nfs/dbraw/zinc/76/27/28/387762728.db2.gz PPBMEKPKWBUJEZ-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccoc2C)o1 ZINC000357008254 386686070 /nfs/dbraw/zinc/68/60/70/386686070.db2.gz UKNCXKNDMIZNEE-JTQLQIEISA-N 1 2 234.299 3.077 20 0 BGADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccoc2C)o1 ZINC000357008254 386686062 /nfs/dbraw/zinc/68/60/62/386686062.db2.gz UKNCXKNDMIZNEE-JTQLQIEISA-N 1 2 234.299 3.077 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccoc2C)o1 ZINC000357008255 386685803 /nfs/dbraw/zinc/68/58/03/386685803.db2.gz UKNCXKNDMIZNEE-SNVBAGLBSA-N 1 2 234.299 3.077 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccoc2C)o1 ZINC000357008255 386685794 /nfs/dbraw/zinc/68/57/94/386685794.db2.gz UKNCXKNDMIZNEE-SNVBAGLBSA-N 1 2 234.299 3.077 20 0 BGADLO CCCOc1cccc2c(NCCF)cc[nH+]c12 ZINC000357012929 187891604 /nfs/dbraw/zinc/89/16/04/187891604.db2.gz RNQBIHUQDWKQRW-UHFFFAOYSA-N 1 2 248.301 3.405 20 0 BGADLO COCC[N@@H+](CC(F)F)C[C@H]1CCC[C@@H](C)C1 ZINC000357025189 174288523 /nfs/dbraw/zinc/28/85/23/174288523.db2.gz YWVUHRMMJNGKBD-NEPJUHHUSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@H+](CC(F)F)C[C@H]1CCC[C@@H](C)C1 ZINC000357025189 174288521 /nfs/dbraw/zinc/28/85/21/174288521.db2.gz YWVUHRMMJNGKBD-NEPJUHHUSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@@H+](CC(F)F)C[C@@H]1CCC[C@H](C)C1 ZINC000357025190 174288324 /nfs/dbraw/zinc/28/83/24/174288324.db2.gz YWVUHRMMJNGKBD-NWDGAFQWSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@H+](CC(F)F)C[C@@H]1CCC[C@H](C)C1 ZINC000357025190 174288323 /nfs/dbraw/zinc/28/83/23/174288323.db2.gz YWVUHRMMJNGKBD-NWDGAFQWSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@@H+](CC(F)F)C[C@H]1CCC[C@H](C)C1 ZINC000357025191 174287911 /nfs/dbraw/zinc/28/79/11/174287911.db2.gz YWVUHRMMJNGKBD-RYUDHWBXSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@H+](CC(F)F)C[C@H]1CCC[C@H](C)C1 ZINC000357025191 174287909 /nfs/dbraw/zinc/28/79/09/174287909.db2.gz YWVUHRMMJNGKBD-RYUDHWBXSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@@H+](CC(F)F)C[C@@H]1CCC[C@@H](C)C1 ZINC000357025192 174288095 /nfs/dbraw/zinc/28/80/95/174288095.db2.gz YWVUHRMMJNGKBD-VXGBXAGGSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@H+](CC(F)F)C[C@@H]1CCC[C@@H](C)C1 ZINC000357025192 174288093 /nfs/dbraw/zinc/28/80/93/174288093.db2.gz YWVUHRMMJNGKBD-VXGBXAGGSA-N 1 2 249.345 3.026 20 0 BGADLO Cc1nc(NC2CCC(C(C)C)CC2)cc[nH+]1 ZINC000357184977 180197638 /nfs/dbraw/zinc/19/76/38/180197638.db2.gz UQRJXJPWVAQGBQ-UHFFFAOYSA-N 1 2 233.359 3.412 20 0 BGADLO COc1c(C)cc(C[N@H+]2CCC=C(F)C2)cc1C ZINC000357201367 386735855 /nfs/dbraw/zinc/73/58/55/386735855.db2.gz GLULKUYSFIMCGP-UHFFFAOYSA-N 1 2 249.329 3.371 20 0 BGADLO COc1c(C)cc(C[N@@H+]2CCC=C(F)C2)cc1C ZINC000357201367 386735844 /nfs/dbraw/zinc/73/58/44/386735844.db2.gz GLULKUYSFIMCGP-UHFFFAOYSA-N 1 2 249.329 3.371 20 0 BGADLO Cc1ccc(F)cc1C[N@H+]1CCC=C(F)C1 ZINC000357207706 386739606 /nfs/dbraw/zinc/73/96/06/386739606.db2.gz SQTNEDATJXBJGX-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO Cc1ccc(F)cc1C[N@@H+]1CCC=C(F)C1 ZINC000357207706 386739600 /nfs/dbraw/zinc/73/96/00/386739600.db2.gz SQTNEDATJXBJGX-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO CCOc1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000357212632 386738814 /nfs/dbraw/zinc/73/88/14/386738814.db2.gz JYXPGCFQFNYJAY-UHFFFAOYSA-N 1 2 235.302 3.144 20 0 BGADLO CCOc1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000357212632 386738809 /nfs/dbraw/zinc/73/88/09/386738809.db2.gz JYXPGCFQFNYJAY-UHFFFAOYSA-N 1 2 235.302 3.144 20 0 BGADLO Cc1cc(F)ccc1C[N@H+]1CCC=C(F)C1 ZINC000357216705 178085405 /nfs/dbraw/zinc/08/54/05/178085405.db2.gz SFBRHUYADVIOMM-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO Cc1cc(F)ccc1C[N@@H+]1CCC=C(F)C1 ZINC000357216705 178085403 /nfs/dbraw/zinc/08/54/03/178085403.db2.gz SFBRHUYADVIOMM-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N1c1[nH]c2ccccc2[nH+]1 ZINC000357269745 171038045 /nfs/dbraw/zinc/03/80/45/171038045.db2.gz NSUBMGKQUJXJFL-GHMZBOCLSA-N 1 2 229.327 3.330 20 0 BGADLO CC[C@H]1CC[C@@H](C)N1c1[nH]c2ccccc2[nH+]1 ZINC000357269747 386751439 /nfs/dbraw/zinc/75/14/39/386751439.db2.gz NSUBMGKQUJXJFL-MNOVXSKESA-N 1 2 229.327 3.330 20 0 BGADLO CC[C@H]1CC[C@H](C)N1c1[nH]c2ccccc2[nH+]1 ZINC000357269750 386751733 /nfs/dbraw/zinc/75/17/33/386751733.db2.gz NSUBMGKQUJXJFL-QWRGUYRKSA-N 1 2 229.327 3.330 20 0 BGADLO CC[C@@H]1CC[C@H](C)N1c1[nH]c2ccccc2[nH+]1 ZINC000357269753 171056889 /nfs/dbraw/zinc/05/68/89/171056889.db2.gz NSUBMGKQUJXJFL-WDEREUQCSA-N 1 2 229.327 3.330 20 0 BGADLO CC[C@@H]1CC[C@H](C)N1c1[nH+]c(C)nc2[nH]ccc21 ZINC000357286471 171056543 /nfs/dbraw/zinc/05/65/43/171056543.db2.gz LHTXVECIUMZDFU-GXSJLCMTSA-N 1 2 244.342 3.034 20 0 BGADLO CC[C@H]1CC[C@@H](C)N1c1[nH+]c(C)nc2[nH]ccc21 ZINC000357286472 386753062 /nfs/dbraw/zinc/75/30/62/386753062.db2.gz LHTXVECIUMZDFU-KOLCDFICSA-N 1 2 244.342 3.034 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N1c1[nH+]c(C)nc2[nH]ccc21 ZINC000357286473 171038359 /nfs/dbraw/zinc/03/83/59/171038359.db2.gz LHTXVECIUMZDFU-MWLCHTKSSA-N 1 2 244.342 3.034 20 0 BGADLO CC[C@H]1CC[C@H](C)N1c1[nH+]c(C)nc2[nH]ccc21 ZINC000357286474 171647005 /nfs/dbraw/zinc/64/70/05/171647005.db2.gz LHTXVECIUMZDFU-ONGXEEELSA-N 1 2 244.342 3.034 20 0 BGADLO CC[C@H]1CC[C@@H](C)N1c1cc[nH+]c(C(C)C)n1 ZINC000357294575 384131386 /nfs/dbraw/zinc/13/13/86/384131386.db2.gz VNZDVGNWXRBEPE-NEPJUHHUSA-N 1 2 233.359 3.367 20 0 BGADLO CC[C@@H]1CC[C@H](C)N1c1cc[nH+]c(C(C)C)n1 ZINC000357294585 171056956 /nfs/dbraw/zinc/05/69/56/171056956.db2.gz VNZDVGNWXRBEPE-NWDGAFQWSA-N 1 2 233.359 3.367 20 0 BGADLO CC[C@H]1CC[C@H](C)N1c1cc[nH+]c(C(C)C)n1 ZINC000357294589 384131659 /nfs/dbraw/zinc/13/16/59/384131659.db2.gz VNZDVGNWXRBEPE-RYUDHWBXSA-N 1 2 233.359 3.367 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N1c1cc[nH+]c(C(C)C)n1 ZINC000357294595 171038137 /nfs/dbraw/zinc/03/81/37/171038137.db2.gz VNZDVGNWXRBEPE-VXGBXAGGSA-N 1 2 233.359 3.367 20 0 BGADLO C[C@H]1C[C@@H]1CNc1[nH+]ccc2ccc(F)cc21 ZINC000357296358 177345491 /nfs/dbraw/zinc/34/54/91/177345491.db2.gz FRXOLPIGVADUKB-GXSJLCMTSA-N 1 2 230.286 3.442 20 0 BGADLO C[C@@H]1C[C@H]1CNc1[nH+]ccc2ccc(F)cc21 ZINC000357296360 386754796 /nfs/dbraw/zinc/75/47/96/386754796.db2.gz FRXOLPIGVADUKB-KOLCDFICSA-N 1 2 230.286 3.442 20 0 BGADLO C[C@@H]1C[C@@H]1CNc1[nH+]ccc2ccc(F)cc21 ZINC000357296362 176398318 /nfs/dbraw/zinc/39/83/18/176398318.db2.gz FRXOLPIGVADUKB-MWLCHTKSSA-N 1 2 230.286 3.442 20 0 BGADLO C[C@H]1C[C@H]1CNc1[nH+]ccc2ccc(F)cc21 ZINC000357296366 177383031 /nfs/dbraw/zinc/38/30/31/177383031.db2.gz FRXOLPIGVADUKB-ONGXEEELSA-N 1 2 230.286 3.442 20 0 BGADLO CC[C@H]1CC[C@H](C)N1c1cc(C)[nH+]c(C2CC2)n1 ZINC000357297034 386754986 /nfs/dbraw/zinc/75/49/86/386754986.db2.gz YUTSKKFDQRREKR-AAEUAGOBSA-N 1 2 245.370 3.430 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N1c1cc(C)[nH+]c(C2CC2)n1 ZINC000357297037 171039333 /nfs/dbraw/zinc/03/93/33/171039333.db2.gz YUTSKKFDQRREKR-DGCLKSJQSA-N 1 2 245.370 3.430 20 0 BGADLO CC[C@@H]1CC[C@H](C)N1c1cc(C)[nH+]c(C2CC2)n1 ZINC000357297038 171053143 /nfs/dbraw/zinc/05/31/43/171053143.db2.gz YUTSKKFDQRREKR-WCQYABFASA-N 1 2 245.370 3.430 20 0 BGADLO CC[C@H]1CC[C@@H](C)N1c1cc(C)[nH+]c(C2CC2)n1 ZINC000357297039 386753889 /nfs/dbraw/zinc/75/38/89/386753889.db2.gz YUTSKKFDQRREKR-YPMHNXCESA-N 1 2 245.370 3.430 20 0 BGADLO CC[C@@H](C)CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000357344577 386763469 /nfs/dbraw/zinc/76/34/69/386763469.db2.gz HISRDLIUYFTKNB-LLVKDONJSA-N 1 2 247.317 3.469 20 0 BGADLO CC[C@H](C)CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000357344586 171288284 /nfs/dbraw/zinc/28/82/84/171288284.db2.gz HISRDLIUYFTKNB-NSHDSACASA-N 1 2 247.317 3.469 20 0 BGADLO Cc1cc(CSCc2ccc(C)[nH+]c2C)on1 ZINC000357388274 178052150 /nfs/dbraw/zinc/05/21/50/178052150.db2.gz IGLSDYZUOABHMB-UHFFFAOYSA-N 1 2 248.351 3.428 20 0 BGADLO CCN(Cc1ccc(OC)cc1)c1cccc[nH+]1 ZINC000357426733 356831910 /nfs/dbraw/zinc/83/19/10/356831910.db2.gz UMKRFKXYJIRVKO-UHFFFAOYSA-N 1 2 242.322 3.117 20 0 BGADLO CCN(Cc1ccccc1C)c1cccc[nH+]1 ZINC000357434037 169918920 /nfs/dbraw/zinc/91/89/20/169918920.db2.gz GISKOBPVYWJAEY-UHFFFAOYSA-N 1 2 226.323 3.417 20 0 BGADLO CCN(CCC1CC1)c1[nH]c2ccccc2[nH+]1 ZINC000357438901 386782369 /nfs/dbraw/zinc/78/23/69/386782369.db2.gz ILIBMVIQEWEJHW-UHFFFAOYSA-N 1 2 229.327 3.189 20 0 BGADLO CCN(CCC1CC1)c1cc[nH+]c2ccncc21 ZINC000357453617 169824764 /nfs/dbraw/zinc/82/47/64/169824764.db2.gz KAIBWUYPLCVBBP-UHFFFAOYSA-N 1 2 241.338 3.256 20 0 BGADLO CCN(CCC1CC1)c1[nH+]c2ccccc2n1C ZINC000357484544 386791317 /nfs/dbraw/zinc/79/13/17/386791317.db2.gz RDZWOCPJVOPFEC-UHFFFAOYSA-N 1 2 243.354 3.200 20 0 BGADLO CCCN(CC)c1cc(C)[nH+]c(C(C)C)n1 ZINC000357507831 169131508 /nfs/dbraw/zinc/13/15/08/169131508.db2.gz GDWXXDCQPFQYTJ-UHFFFAOYSA-N 1 2 221.348 3.145 20 0 BGADLO CCN(CCc1cccs1)c1cccc[nH+]1 ZINC000357510449 169875562 /nfs/dbraw/zinc/87/55/62/169875562.db2.gz JUDSPJXHHICUOD-UHFFFAOYSA-N 1 2 232.352 3.212 20 0 BGADLO CC[C@H](COC)Nc1[nH+]ccc2ccc(F)cc21 ZINC000357518572 487769256 /nfs/dbraw/zinc/76/92/56/487769256.db2.gz WBMXLRVBNZYHTO-GFCCVEGCSA-N 1 2 248.301 3.211 20 0 BGADLO CC[C@@H](COC)Nc1[nH+]ccc2ccc(F)cc21 ZINC000357518573 487769156 /nfs/dbraw/zinc/76/91/56/487769156.db2.gz WBMXLRVBNZYHTO-LBPRGKRZSA-N 1 2 248.301 3.211 20 0 BGADLO C[N@@H+](CCCCOc1ccccc1)CC(F)F ZINC000357576583 386810195 /nfs/dbraw/zinc/81/01/95/386810195.db2.gz BYLXQGOXWWTNLA-UHFFFAOYSA-N 1 2 243.297 3.043 20 0 BGADLO C[N@H+](CCCCOc1ccccc1)CC(F)F ZINC000357576583 386810188 /nfs/dbraw/zinc/81/01/88/386810188.db2.gz BYLXQGOXWWTNLA-UHFFFAOYSA-N 1 2 243.297 3.043 20 0 BGADLO CC1(C2CC2)CCN(c2cccc[nH+]2)CC1 ZINC000357587215 535108958 /nfs/dbraw/zinc/10/89/58/535108958.db2.gz ROJTUXWVMKBKNF-UHFFFAOYSA-N 1 2 216.328 3.098 20 0 BGADLO c1ccc(NC[C@H]2CCC3(CCCCC3)O2)[nH+]c1 ZINC000357604963 386811224 /nfs/dbraw/zinc/81/12/24/386811224.db2.gz HHKDMDJCVRJVQC-CYBMUJFWSA-N 1 2 246.354 3.375 20 0 BGADLO c1ccc(NC[C@@H]2CCC3(CCCCC3)O2)[nH+]c1 ZINC000357604964 386811600 /nfs/dbraw/zinc/81/16/00/386811600.db2.gz HHKDMDJCVRJVQC-ZDUSSCGKSA-N 1 2 246.354 3.375 20 0 BGADLO FC(F)(CNc1cccc[nH+]1)c1ccccc1 ZINC000357609624 180878111 /nfs/dbraw/zinc/87/81/11/180878111.db2.gz QJQQGUGLHGBBRA-UHFFFAOYSA-N 1 2 234.249 3.286 20 0 BGADLO CCOCCC[N@@H+](CC)c1ccccc1C ZINC000357611883 170371522 /nfs/dbraw/zinc/37/15/22/170371522.db2.gz ZJCWZIBQBFFGKF-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO CCOCCC[N@H+](CC)c1ccccc1C ZINC000357611883 170371520 /nfs/dbraw/zinc/37/15/20/170371520.db2.gz ZJCWZIBQBFFGKF-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO CSCCCN(C)c1ccc2ccccc2[nH+]1 ZINC000357679394 175480568 /nfs/dbraw/zinc/48/05/68/175480568.db2.gz IWKBINBGFRGVKL-UHFFFAOYSA-N 1 2 246.379 3.424 20 0 BGADLO Fc1ccc2cc[nH+]c(N3CCC[C@@H](F)C3)c2c1 ZINC000357682089 132274352 /nfs/dbraw/zinc/27/43/52/132274352.db2.gz BSLNUPRRUPDLAC-GFCCVEGCSA-N 1 2 248.276 3.312 20 0 BGADLO Fc1ccc2cc[nH+]c(N3CCC[C@H](F)C3)c2c1 ZINC000357682090 132274374 /nfs/dbraw/zinc/27/43/74/132274374.db2.gz BSLNUPRRUPDLAC-LBPRGKRZSA-N 1 2 248.276 3.312 20 0 BGADLO COCC1(CNc2cccc[nH+]2)CCCCC1 ZINC000357772615 174106950 /nfs/dbraw/zinc/10/69/50/174106950.db2.gz BXKZFJLHDXOLPI-UHFFFAOYSA-N 1 2 234.343 3.090 20 0 BGADLO CCCC[C@H](C)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000357786239 356846011 /nfs/dbraw/zinc/84/60/11/356846011.db2.gz UFOKFEXBHBRUDE-JTQLQIEISA-N 1 2 246.358 3.281 20 0 BGADLO CCCC[C@@H](C)N(C)c1[nH+]c(C)nc2[nH]ccc21 ZINC000357786245 356846365 /nfs/dbraw/zinc/84/63/65/356846365.db2.gz UFOKFEXBHBRUDE-SNVBAGLBSA-N 1 2 246.358 3.281 20 0 BGADLO CCCC[C@@H](C)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000357812355 356847814 /nfs/dbraw/zinc/84/78/14/356847814.db2.gz HFIBKKWHHFFLDQ-LLVKDONJSA-N 1 2 233.359 3.369 20 0 BGADLO CCCC[C@H](C)N(C)c1cc[nH+]c(C2CC2)n1 ZINC000357812358 356847897 /nfs/dbraw/zinc/84/78/97/356847897.db2.gz HFIBKKWHHFFLDQ-NSHDSACASA-N 1 2 233.359 3.369 20 0 BGADLO Cc1cccnc1C(C)(C)CNc1cccc[nH+]1 ZINC000357826528 179366454 /nfs/dbraw/zinc/36/64/54/179366454.db2.gz MAMXKWYQSYBQMC-UHFFFAOYSA-N 1 2 241.338 3.175 20 0 BGADLO CC[C@H](CNc1[nH+]ccc2ccc(F)cc21)OC ZINC000357830522 386851751 /nfs/dbraw/zinc/85/17/51/386851751.db2.gz UWNRLAADDBCAMI-GFCCVEGCSA-N 1 2 248.301 3.211 20 0 BGADLO CC[C@@H](CNc1[nH+]ccc2ccc(F)cc21)OC ZINC000357830525 386850041 /nfs/dbraw/zinc/85/00/41/386850041.db2.gz UWNRLAADDBCAMI-LBPRGKRZSA-N 1 2 248.301 3.211 20 0 BGADLO CC(C)=CCNc1[nH+]ccc2ccc(F)cc21 ZINC000357878814 188067470 /nfs/dbraw/zinc/06/74/70/188067470.db2.gz OHCLWDLHXLWAON-UHFFFAOYSA-N 1 2 230.286 3.174 20 0 BGADLO CC(C)Sc1ccc(Cn2cc[nH+]c2)cc1 ZINC000358037477 167336755 /nfs/dbraw/zinc/33/67/55/167336755.db2.gz QDVSLWAUFLHNAI-UHFFFAOYSA-N 1 2 232.352 3.432 20 0 BGADLO CSc1ccccc1C[N@H+]1CCC=C(F)C1 ZINC000358071169 386889483 /nfs/dbraw/zinc/88/94/83/386889483.db2.gz HVSUJHMKEDXPTJ-UHFFFAOYSA-N 1 2 237.343 3.468 20 0 BGADLO CSc1ccccc1C[N@@H+]1CCC=C(F)C1 ZINC000358071169 386889482 /nfs/dbraw/zinc/88/94/82/386889482.db2.gz HVSUJHMKEDXPTJ-UHFFFAOYSA-N 1 2 237.343 3.468 20 0 BGADLO CCCCC[S@](=O)Cc1ccc(C)[nH+]c1C ZINC000358144584 384699794 /nfs/dbraw/zinc/69/97/94/384699794.db2.gz DBKDXNBMXBFMOU-INIZCTEOSA-N 1 2 239.384 3.137 20 0 BGADLO CCCCC[S@@](=O)Cc1ccc(C)[nH+]c1C ZINC000358144585 384699731 /nfs/dbraw/zinc/69/97/31/384699731.db2.gz DBKDXNBMXBFMOU-MRXNPFEDSA-N 1 2 239.384 3.137 20 0 BGADLO Cc1cc(NCc2c[nH+]cn2C)ccc1C1CC1 ZINC000358169255 178174237 /nfs/dbraw/zinc/17/42/37/178174237.db2.gz NJSPHJYAYKMPPH-UHFFFAOYSA-N 1 2 241.338 3.218 20 0 BGADLO Cc1cc(NCc2[nH+]ccn2C)ccc1C1CC1 ZINC000358192989 178177013 /nfs/dbraw/zinc/17/70/13/178177013.db2.gz WUMNEBUZKCTNBC-UHFFFAOYSA-N 1 2 241.338 3.218 20 0 BGADLO Cc1cc(NC(=O)C2(C)CCCCCC2)cc[nH+]1 ZINC000358202427 188067278 /nfs/dbraw/zinc/06/72/78/188067278.db2.gz YTAKICJOBLGMJO-UHFFFAOYSA-N 1 2 246.354 3.111 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@@H](C)C(C)(C)C ZINC000358271805 386925550 /nfs/dbraw/zinc/92/55/50/386925550.db2.gz QPKIJDXWDRVWPY-LLVKDONJSA-N 1 2 248.370 3.077 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@H](C)C(C)(C)C ZINC000358271808 386926150 /nfs/dbraw/zinc/92/61/50/386926150.db2.gz QPKIJDXWDRVWPY-NSHDSACASA-N 1 2 248.370 3.077 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CCCC(C)(C)C ZINC000358272219 386926269 /nfs/dbraw/zinc/92/62/69/386926269.db2.gz RBHNUTHPLAKMIX-UHFFFAOYSA-N 1 2 248.370 3.221 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@H](C)CC(C)C ZINC000358291156 386929396 /nfs/dbraw/zinc/92/93/96/386929396.db2.gz SUYATCGJRYDTMK-GFCCVEGCSA-N 1 2 248.370 3.077 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@@H](C)CC(C)C ZINC000358291157 398326256 /nfs/dbraw/zinc/32/62/56/398326256.db2.gz SUYATCGJRYDTMK-LBPRGKRZSA-N 1 2 248.370 3.077 20 0 BGADLO Cc1nc([C@H](C)[NH2+]Cc2cncc(C)c2)cs1 ZINC000358358388 386941498 /nfs/dbraw/zinc/94/14/98/386941498.db2.gz SBGJUUGBLRPYHI-JTQLQIEISA-N 1 2 247.367 3.006 20 0 BGADLO Cc1nc([C@@H](C)[NH2+]Cc2cncc(C)c2)cs1 ZINC000358358390 386941589 /nfs/dbraw/zinc/94/15/89/386941589.db2.gz SBGJUUGBLRPYHI-SNVBAGLBSA-N 1 2 247.367 3.006 20 0 BGADLO CCOCCCSCc1ccc(C)[nH+]c1C ZINC000358643507 170384774 /nfs/dbraw/zinc/38/47/74/170384774.db2.gz CDCFTGMNPFGVLR-UHFFFAOYSA-N 1 2 239.384 3.358 20 0 BGADLO COCC[C@@H](C)SCc1ccc(C)[nH+]c1C ZINC000358646880 174388393 /nfs/dbraw/zinc/38/83/93/174388393.db2.gz FBNNVMSBILYRLU-LLVKDONJSA-N 1 2 239.384 3.357 20 0 BGADLO COCC[C@H](C)SCc1ccc(C)[nH+]c1C ZINC000358646884 386993805 /nfs/dbraw/zinc/99/38/05/386993805.db2.gz FBNNVMSBILYRLU-NSHDSACASA-N 1 2 239.384 3.357 20 0 BGADLO Cc1ccc(CSC[C@H]2CCCO2)c(C)[nH+]1 ZINC000358653971 386993862 /nfs/dbraw/zinc/99/38/62/386993862.db2.gz RJXNFJOWIHFABU-CYBMUJFWSA-N 1 2 237.368 3.111 20 0 BGADLO Cc1ccc(CSC[C@@H]2CCCO2)c(C)[nH+]1 ZINC000358653976 386993178 /nfs/dbraw/zinc/99/31/78/386993178.db2.gz RJXNFJOWIHFABU-ZDUSSCGKSA-N 1 2 237.368 3.111 20 0 BGADLO COc1cc(C)[nH+]c(CSCCC2CC2)c1 ZINC000358667291 386995585 /nfs/dbraw/zinc/99/55/85/386995585.db2.gz ZKYAWGGYGWLQNN-UHFFFAOYSA-N 1 2 237.368 3.432 20 0 BGADLO c1c(CSCCC2CC2)[nH+]c2ccccn12 ZINC000358684709 386999180 /nfs/dbraw/zinc/99/91/80/386999180.db2.gz NWMXGZKQYWMEJG-UHFFFAOYSA-N 1 2 232.352 3.368 20 0 BGADLO CCN(Cc1c[nH+]cn1C)c1cc(C)cc(C)c1 ZINC000358687330 356875304 /nfs/dbraw/zinc/87/53/04/356875304.db2.gz ISZZVGWMNQDVQI-UHFFFAOYSA-N 1 2 243.354 3.063 20 0 BGADLO Cc1cc(N(C)C2CCCC2)nc(C(C)C)[nH+]1 ZINC000358767513 178097586 /nfs/dbraw/zinc/09/75/86/178097586.db2.gz DBSHGPHSIDCIDK-UHFFFAOYSA-N 1 2 233.359 3.287 20 0 BGADLO CCC[C@@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000358771824 169357001 /nfs/dbraw/zinc/35/70/01/169357001.db2.gz XBNIPOFYSXUPSW-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CCC[C@H](C)CC(=O)Nc1cccc2[nH+]ccn21 ZINC000358771825 387012537 /nfs/dbraw/zinc/01/25/37/387012537.db2.gz XBNIPOFYSXUPSW-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO CC(C)c1nc(N(C)Cc2cccs2)cc[nH+]1 ZINC000358788717 387014071 /nfs/dbraw/zinc/01/40/71/387014071.db2.gz RNMUECFFISLDRV-UHFFFAOYSA-N 1 2 247.367 3.298 20 0 BGADLO CC(C)c1nc(N[C@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000358790098 387014487 /nfs/dbraw/zinc/01/44/87/387014487.db2.gz WBBXOIYZYPCVNV-NEPJUHHUSA-N 1 2 233.359 3.013 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000358790100 387014030 /nfs/dbraw/zinc/01/40/30/387014030.db2.gz WBBXOIYZYPCVNV-NWDGAFQWSA-N 1 2 233.359 3.013 20 0 BGADLO CC(C)c1nc(N[C@H]2CCCC[C@@H]2C)cc[nH+]1 ZINC000358790101 387013913 /nfs/dbraw/zinc/01/39/13/387013913.db2.gz WBBXOIYZYPCVNV-RYUDHWBXSA-N 1 2 233.359 3.013 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCCC[C@H]2C)cc[nH+]1 ZINC000358790103 387013650 /nfs/dbraw/zinc/01/36/50/387013650.db2.gz WBBXOIYZYPCVNV-VXGBXAGGSA-N 1 2 233.359 3.013 20 0 BGADLO CC(C)c1nc(N(C)C2CCCCC2)cc[nH+]1 ZINC000358790769 187379310 /nfs/dbraw/zinc/37/93/10/187379310.db2.gz ZKANUFRVLHLBDZ-UHFFFAOYSA-N 1 2 233.359 3.369 20 0 BGADLO CC(C)(CNc1cccc[nH+]1)Oc1ccccc1 ZINC000358918145 188068422 /nfs/dbraw/zinc/06/84/22/188068422.db2.gz FMLHLKHRPAGCNF-UHFFFAOYSA-N 1 2 242.322 3.351 20 0 BGADLO Cc1[nH]ncc1C[NH2+]Cc1cccc(C(C)C)c1 ZINC000358967514 384349305 /nfs/dbraw/zinc/34/93/05/384349305.db2.gz SWZDZRWEXQQZDE-UHFFFAOYSA-N 1 2 243.354 3.131 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CCC(C)(C)C2)c(C)[nH+]1 ZINC000358997935 387041913 /nfs/dbraw/zinc/04/19/13/387041913.db2.gz IIPRVMHZEZZQRG-GFCCVEGCSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CCC(C)(C)C2)c(C)[nH+]1 ZINC000358997936 387042191 /nfs/dbraw/zinc/04/21/91/387042191.db2.gz IIPRVMHZEZZQRG-LBPRGKRZSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc(NCc2[nH]cc[nH+]2)ccc1C1CC1 ZINC000358998804 178176451 /nfs/dbraw/zinc/17/64/51/178176451.db2.gz WGELIVZVGDLQMS-UHFFFAOYSA-N 1 2 227.311 3.208 20 0 BGADLO Cc1[nH+]c2ccccn2c1CSCC1CC1 ZINC000359158182 180107415 /nfs/dbraw/zinc/10/74/15/180107415.db2.gz OFRKNMXGJNHOFS-UHFFFAOYSA-N 1 2 232.352 3.286 20 0 BGADLO Cc1ccc2[nH+]c(CSCC3CC3)cn2c1 ZINC000359158715 387060885 /nfs/dbraw/zinc/06/08/85/387060885.db2.gz LSTAEUKLSZHBSN-UHFFFAOYSA-N 1 2 232.352 3.286 20 0 BGADLO Cc1[nH]c2ccc(NC(=O)C3(C)CCC3)cc2[nH+]1 ZINC000359310461 180094793 /nfs/dbraw/zinc/09/47/93/180094793.db2.gz SFVGOZGTEPFSJL-UHFFFAOYSA-N 1 2 243.310 3.000 20 0 BGADLO CCC1(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CC1 ZINC000359311207 411312837 /nfs/dbraw/zinc/31/28/37/411312837.db2.gz STGHUDXZKIGRBZ-UHFFFAOYSA-N 1 2 243.310 3.000 20 0 BGADLO CCc1[nH+]c(C)ccc1OCC1(COC)CCC1 ZINC000359373796 356888959 /nfs/dbraw/zinc/88/89/59/356888959.db2.gz WCYIECDMHXQUEW-UHFFFAOYSA-N 1 2 249.354 3.148 20 0 BGADLO Cc1cc(C)c(NC(=O)CCC2CC2)c(C)[nH+]1 ZINC000359411854 187297121 /nfs/dbraw/zinc/29/71/21/187297121.db2.gz MTBNYPKKDUKBLQ-UHFFFAOYSA-N 1 2 232.327 3.136 20 0 BGADLO CCC1(C(=O)Nc2cc[nH+]c(C)c2)CCCCC1 ZINC000359420775 387099231 /nfs/dbraw/zinc/09/92/31/387099231.db2.gz LSIXKOHKIUHFAB-UHFFFAOYSA-N 1 2 246.354 3.111 20 0 BGADLO COc1cccc([C@@H](C)[N@H+]2CCC=C(F)C2)c1 ZINC000359508601 175287032 /nfs/dbraw/zinc/28/70/32/175287032.db2.gz OZWDHMFUUXIUKX-LLVKDONJSA-N 1 2 235.302 3.315 20 0 BGADLO COc1cccc([C@@H](C)[N@@H+]2CCC=C(F)C2)c1 ZINC000359508601 175287031 /nfs/dbraw/zinc/28/70/31/175287031.db2.gz OZWDHMFUUXIUKX-LLVKDONJSA-N 1 2 235.302 3.315 20 0 BGADLO COc1cccc([C@H](C)[N@H+]2CCC=C(F)C2)c1 ZINC000359508613 175292328 /nfs/dbraw/zinc/29/23/28/175292328.db2.gz OZWDHMFUUXIUKX-NSHDSACASA-N 1 2 235.302 3.315 20 0 BGADLO COc1cccc([C@H](C)[N@@H+]2CCC=C(F)C2)c1 ZINC000359508613 175292326 /nfs/dbraw/zinc/29/23/26/175292326.db2.gz OZWDHMFUUXIUKX-NSHDSACASA-N 1 2 235.302 3.315 20 0 BGADLO FC1=CCC[N@@H+](CCc2ccccc2Cl)C1 ZINC000359514205 387115430 /nfs/dbraw/zinc/11/54/30/387115430.db2.gz JURVURSIHYAEFT-UHFFFAOYSA-N 1 2 239.721 3.442 20 0 BGADLO FC1=CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000359514205 387115428 /nfs/dbraw/zinc/11/54/28/387115428.db2.gz JURVURSIHYAEFT-UHFFFAOYSA-N 1 2 239.721 3.442 20 0 BGADLO FC1=CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000359514671 387115857 /nfs/dbraw/zinc/11/58/57/387115857.db2.gz KILFZQWYSHYFHN-UHFFFAOYSA-N 1 2 225.694 3.399 20 0 BGADLO FC1=CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000359514671 387115854 /nfs/dbraw/zinc/11/58/54/387115854.db2.gz KILFZQWYSHYFHN-UHFFFAOYSA-N 1 2 225.694 3.399 20 0 BGADLO FC1=CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000359514754 387116715 /nfs/dbraw/zinc/11/67/15/387116715.db2.gz LDSHMUYBCSQZFU-UHFFFAOYSA-N 1 2 225.694 3.399 20 0 BGADLO FC1=CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000359514754 387116709 /nfs/dbraw/zinc/11/67/09/387116709.db2.gz LDSHMUYBCSQZFU-UHFFFAOYSA-N 1 2 225.694 3.399 20 0 BGADLO FC1=CCC[N@@H+](CCSc2ccccc2)C1 ZINC000359514872 387115258 /nfs/dbraw/zinc/11/52/58/387115258.db2.gz LTQDNIFQLPDZMP-UHFFFAOYSA-N 1 2 237.343 3.338 20 0 BGADLO FC1=CCC[N@H+](CCSc2ccccc2)C1 ZINC000359514872 387115252 /nfs/dbraw/zinc/11/52/52/387115252.db2.gz LTQDNIFQLPDZMP-UHFFFAOYSA-N 1 2 237.343 3.338 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@H+]1CCC=C(F)C1 ZINC000359516311 176015405 /nfs/dbraw/zinc/01/54/05/176015405.db2.gz QLGOVXNICBJRPE-JTQLQIEISA-N 1 2 223.266 3.446 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC=C(F)C1 ZINC000359516311 176015404 /nfs/dbraw/zinc/01/54/04/176015404.db2.gz QLGOVXNICBJRPE-JTQLQIEISA-N 1 2 223.266 3.446 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@H+]1CCC=C(F)C1 ZINC000359516312 177034505 /nfs/dbraw/zinc/03/45/05/177034505.db2.gz QLGOVXNICBJRPE-SNVBAGLBSA-N 1 2 223.266 3.446 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC=C(F)C1 ZINC000359516312 177034501 /nfs/dbraw/zinc/03/45/01/177034501.db2.gz QLGOVXNICBJRPE-SNVBAGLBSA-N 1 2 223.266 3.446 20 0 BGADLO C[C@@H](c1ccccc1F)[N@H+]1CCC=C(F)C1 ZINC000359517971 176025092 /nfs/dbraw/zinc/02/50/92/176025092.db2.gz ZZBAINUEMMSHNW-JTQLQIEISA-N 1 2 223.266 3.446 20 0 BGADLO C[C@@H](c1ccccc1F)[N@@H+]1CCC=C(F)C1 ZINC000359517971 176025091 /nfs/dbraw/zinc/02/50/91/176025091.db2.gz ZZBAINUEMMSHNW-JTQLQIEISA-N 1 2 223.266 3.446 20 0 BGADLO C[C@H](c1ccccc1F)[N@H+]1CCC=C(F)C1 ZINC000359517973 177041153 /nfs/dbraw/zinc/04/11/53/177041153.db2.gz ZZBAINUEMMSHNW-SNVBAGLBSA-N 1 2 223.266 3.446 20 0 BGADLO C[C@H](c1ccccc1F)[N@@H+]1CCC=C(F)C1 ZINC000359517973 177041151 /nfs/dbraw/zinc/04/11/51/177041151.db2.gz ZZBAINUEMMSHNW-SNVBAGLBSA-N 1 2 223.266 3.446 20 0 BGADLO CC(C)CCOc1cccc(-n2cc[nH+]c2)c1 ZINC000359549639 387121575 /nfs/dbraw/zinc/12/15/75/387121575.db2.gz WQERFZZVIBJOEQ-UHFFFAOYSA-N 1 2 230.311 3.297 20 0 BGADLO Cc1nc(N(C)C2CCCC2)c2c([nH+]1)CCCC2 ZINC000359722122 180067844 /nfs/dbraw/zinc/06/78/44/180067844.db2.gz FRHUYKRIUYCLDT-UHFFFAOYSA-N 1 2 245.370 3.043 20 0 BGADLO Cc1nc(N(C)[C@H](C)C(C)C)c2c([nH+]1)CCCC2 ZINC000359728706 180068447 /nfs/dbraw/zinc/06/84/47/180068447.db2.gz ZMMZFWMIWXTSMN-LLVKDONJSA-N 1 2 247.386 3.145 20 0 BGADLO Cc1nc(N(C)[C@@H](C)C(C)C)c2c([nH+]1)CCCC2 ZINC000359728707 180068906 /nfs/dbraw/zinc/06/89/06/180068906.db2.gz ZMMZFWMIWXTSMN-NSHDSACASA-N 1 2 247.386 3.145 20 0 BGADLO CCc1cc(N2[C@@H](C)CC[C@@H]2CC)nc(C)[nH+]1 ZINC000359732794 538856507 /nfs/dbraw/zinc/85/65/07/538856507.db2.gz SZBWSSMSDLTKIW-GWCFXTLKSA-N 1 2 233.359 3.115 20 0 BGADLO CCc1cc(N2[C@H](CC)CC[C@@H]2C)nc(C)[nH+]1 ZINC000359732796 538857098 /nfs/dbraw/zinc/85/70/98/538857098.db2.gz SZBWSSMSDLTKIW-GXFFZTMASA-N 1 2 233.359 3.115 20 0 BGADLO CCc1cc(N2[C@H](C)CC[C@@H]2CC)nc(C)[nH+]1 ZINC000359732798 538856563 /nfs/dbraw/zinc/85/65/63/538856563.db2.gz SZBWSSMSDLTKIW-MFKMUULPSA-N 1 2 233.359 3.115 20 0 BGADLO CCc1cc(N2[C@H](C)CC[C@H]2CC)nc(C)[nH+]1 ZINC000359732800 538857110 /nfs/dbraw/zinc/85/71/10/538857110.db2.gz SZBWSSMSDLTKIW-ZWNOBZJWSA-N 1 2 233.359 3.115 20 0 BGADLO c1ccc2[nH+]c(N3CCCC4(CCC4)C3)[nH]c2c1 ZINC000359739731 384464857 /nfs/dbraw/zinc/46/48/57/384464857.db2.gz NAOQPJYEQNJZLU-UHFFFAOYSA-N 1 2 241.338 3.333 20 0 BGADLO c1cc(N2CCCC3(CCC3)C2)nc(C2CC2)[nH+]1 ZINC000359740422 132277644 /nfs/dbraw/zinc/27/76/44/132277644.db2.gz RNWOQLVVZULWJU-UHFFFAOYSA-N 1 2 243.354 3.125 20 0 BGADLO Cc1nc(N2CCCC3(CCC3)C2)c(C)c(C)[nH+]1 ZINC000359741675 132277581 /nfs/dbraw/zinc/27/75/81/132277581.db2.gz WFTZOSFWSDFILK-UHFFFAOYSA-N 1 2 245.370 3.172 20 0 BGADLO CC(C)c1nc(N2CCCC3(CCC3)C2)cc[nH+]1 ZINC000359750653 534908515 /nfs/dbraw/zinc/90/85/15/534908515.db2.gz VIIDYLVLTQXFRD-UHFFFAOYSA-N 1 2 245.370 3.371 20 0 BGADLO Cc1ccoc1CNc1c[nH+]c2c(c1)CCCC2 ZINC000359785841 397958584 /nfs/dbraw/zinc/95/85/84/397958584.db2.gz CDSGPJPJDWQUEU-UHFFFAOYSA-N 1 2 242.322 3.474 20 0 BGADLO c1coc(CNc2c[nH+]c3c(c2)CCCC3)c1 ZINC000359818825 387170285 /nfs/dbraw/zinc/17/02/85/387170285.db2.gz KEYFCVGAKARITF-UHFFFAOYSA-N 1 2 228.295 3.166 20 0 BGADLO Cc1ccc(CNc2c[nH+]c3c(c2)CCCC3)o1 ZINC000359823781 387170307 /nfs/dbraw/zinc/17/03/07/387170307.db2.gz WTYIZOAZIIXHLW-UHFFFAOYSA-N 1 2 242.322 3.474 20 0 BGADLO Cc1cccc(CCNc2ncccc2Cl)[nH+]1 ZINC000359828425 538857686 /nfs/dbraw/zinc/85/76/86/538857686.db2.gz FPQSSHIOTYSODL-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO COC1CCC(C)(CNc2cccc[nH+]2)CC1 ZINC000359842685 174020521 /nfs/dbraw/zinc/02/05/21/174020521.db2.gz WDHPDWIGZNLTFW-UHFFFAOYSA-N 1 2 234.343 3.089 20 0 BGADLO FC(F)C1(CNc2ccc3ccccc3[nH+]2)CC1 ZINC000359851200 387177511 /nfs/dbraw/zinc/17/75/11/387177511.db2.gz WGRQQMRMEPLPQC-UHFFFAOYSA-N 1 2 248.276 3.114 20 0 BGADLO Cc1[nH]c2ccc(NC(=O)CCC3CC3)cc2[nH+]1 ZINC000359856042 180093808 /nfs/dbraw/zinc/09/38/08/180093808.db2.gz LFFCQKCKRHZTOV-UHFFFAOYSA-N 1 2 243.310 3.000 20 0 BGADLO CSc1ccccc1CN(C)c1cccc[nH+]1 ZINC000359876643 387180701 /nfs/dbraw/zinc/18/07/01/387180701.db2.gz MVTNXMCPIFNFEU-UHFFFAOYSA-N 1 2 244.363 3.440 20 0 BGADLO Cc1ccc2c(c1)CCN2c1cc(C)[nH+]c(C)n1 ZINC000359886508 538858709 /nfs/dbraw/zinc/85/87/09/538858709.db2.gz MGOZOICRCRUARZ-UHFFFAOYSA-N 1 2 239.322 3.096 20 0 BGADLO COc1cccc2c(NCCCCF)cc[nH+]c12 ZINC000359936049 175300303 /nfs/dbraw/zinc/30/03/03/175300303.db2.gz DSCZSNAUYSXUKV-UHFFFAOYSA-N 1 2 248.301 3.405 20 0 BGADLO COC1(CNc2cccc[nH+]2)CCC(C)CC1 ZINC000359941538 174005854 /nfs/dbraw/zinc/00/58/54/174005854.db2.gz KPJFAHRXCSPSCG-UHFFFAOYSA-N 1 2 234.343 3.089 20 0 BGADLO CCC1(C)CN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000359952159 387199605 /nfs/dbraw/zinc/19/96/05/387199605.db2.gz JCQVGQNCAGUVDH-UHFFFAOYSA-N 1 2 233.359 3.145 20 0 BGADLO CCN(CC1CCC1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000360050281 537892431 /nfs/dbraw/zinc/89/24/31/537892431.db2.gz AMGKQRCZTJUFFW-UHFFFAOYSA-N 1 2 245.370 3.289 20 0 BGADLO CCN(CC1CCC1)c1cc[nH+]c(C(C)C)n1 ZINC000360062508 387222345 /nfs/dbraw/zinc/22/23/45/387222345.db2.gz GTFQFWUWJVIDNG-UHFFFAOYSA-N 1 2 233.359 3.226 20 0 BGADLO Fc1ccccc1CCCNc1cccc[nH+]1 ZINC000360064548 181010005 /nfs/dbraw/zinc/01/00/05/181010005.db2.gz VFSDKIODJBMREP-UHFFFAOYSA-N 1 2 230.286 3.265 20 0 BGADLO CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1CCC(C)(C)C1 ZINC000360071702 397961193 /nfs/dbraw/zinc/96/11/93/397961193.db2.gz MFESZSIHUZAVIC-GFCCVEGCSA-N 1 2 245.370 3.369 20 0 BGADLO CN(c1cc[nH+]c(C2CC2)n1)[C@H]1CCC(C)(C)C1 ZINC000360071703 397961239 /nfs/dbraw/zinc/96/12/39/397961239.db2.gz MFESZSIHUZAVIC-LBPRGKRZSA-N 1 2 245.370 3.369 20 0 BGADLO CC(C)c1nc(N2CC(C3CCCC3)C2)cc[nH+]1 ZINC000360093154 387224703 /nfs/dbraw/zinc/22/47/03/387224703.db2.gz JWQADWLPCXMOTQ-UHFFFAOYSA-N 1 2 245.370 3.226 20 0 BGADLO Cc1nc(N2CC(C3CCCC3)C2)c(C)c(C)[nH+]1 ZINC000360093552 387228133 /nfs/dbraw/zinc/22/81/33/387228133.db2.gz MTBZTLVVYUEQHI-UHFFFAOYSA-N 1 2 245.370 3.028 20 0 BGADLO Cc1nc(N(Cc2cccs2)C2CC2)cc[nH+]1 ZINC000360226160 387247281 /nfs/dbraw/zinc/24/72/81/387247281.db2.gz VQLBVHPYBHRNNS-UHFFFAOYSA-N 1 2 245.351 3.016 20 0 BGADLO c1c2ccccc2n2c1CN(c1cccc[nH+]1)CC2 ZINC000360230482 132277971 /nfs/dbraw/zinc/27/79/71/132277971.db2.gz LARGCCGHYNMOKM-UHFFFAOYSA-N 1 2 249.317 3.057 20 0 BGADLO Cc1cc(N2CCC[C@@H](C(C)(C)C)C2)nc[nH+]1 ZINC000360242026 132279006 /nfs/dbraw/zinc/27/90/06/132279006.db2.gz MUXISEANXWUENK-GFCCVEGCSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1cc(N2CCC[C@H](C(C)(C)C)C2)nc[nH+]1 ZINC000360242027 132278609 /nfs/dbraw/zinc/27/86/09/132278609.db2.gz MUXISEANXWUENK-LBPRGKRZSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1nc(N2CCC[C@@H](C(C)(C)C)C2)cc[nH+]1 ZINC000360243652 132278828 /nfs/dbraw/zinc/27/88/28/132278828.db2.gz WTJLVJYXYGAOTP-GFCCVEGCSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1nc(N2CCC[C@H](C(C)(C)C)C2)cc[nH+]1 ZINC000360243653 132278661 /nfs/dbraw/zinc/27/86/61/132278661.db2.gz WTJLVJYXYGAOTP-LBPRGKRZSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1nc(N(C)Cc2ccccc2Cl)cc[nH+]1 ZINC000360245246 188242318 /nfs/dbraw/zinc/24/23/18/188242318.db2.gz MFGIMEYEGPVWLW-UHFFFAOYSA-N 1 2 247.729 3.075 20 0 BGADLO Cc1nc(N(C)Cc2cccc(Cl)c2)cc[nH+]1 ZINC000360245759 187299486 /nfs/dbraw/zinc/29/94/86/187299486.db2.gz PYVUJPOUGWUWHG-UHFFFAOYSA-N 1 2 247.729 3.075 20 0 BGADLO Cc1ccc2c(c1)CN(c1[nH]c3ccccc3[nH+]1)C2 ZINC000360267265 387254225 /nfs/dbraw/zinc/25/42/25/387254225.db2.gz NUDMOTBGKDOVCJ-UHFFFAOYSA-N 1 2 249.317 3.392 20 0 BGADLO CC1=C(C)CN(c2cc[nH+]c(C(C)C)n2)CC1 ZINC000360274502 132278869 /nfs/dbraw/zinc/27/88/69/132278869.db2.gz LIURXNUYCIGQPX-UHFFFAOYSA-N 1 2 231.343 3.147 20 0 BGADLO CCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000360393818 387276635 /nfs/dbraw/zinc/27/66/35/387276635.db2.gz LAWPUMZFCWGZSF-NEPJUHHUSA-N 1 2 232.327 3.073 20 0 BGADLO CCC[C@H]1C[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000360393819 387277514 /nfs/dbraw/zinc/27/75/14/387277514.db2.gz LAWPUMZFCWGZSF-NWDGAFQWSA-N 1 2 232.327 3.073 20 0 BGADLO CCC[C@H]1C[C@@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000360393820 387276456 /nfs/dbraw/zinc/27/64/56/387276456.db2.gz LAWPUMZFCWGZSF-RYUDHWBXSA-N 1 2 232.327 3.073 20 0 BGADLO CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(C)[nH+]c1C ZINC000360393821 169438182 /nfs/dbraw/zinc/43/81/82/169438182.db2.gz LAWPUMZFCWGZSF-VXGBXAGGSA-N 1 2 232.327 3.073 20 0 BGADLO CCC[N@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000360505787 169204895 /nfs/dbraw/zinc/20/48/95/169204895.db2.gz ZUAJNBHBNINKFP-SECBINFHSA-N 1 2 245.775 3.185 20 0 BGADLO CCC[N@@H+]1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000360505787 169204893 /nfs/dbraw/zinc/20/48/93/169204893.db2.gz ZUAJNBHBNINKFP-SECBINFHSA-N 1 2 245.775 3.185 20 0 BGADLO CCC[N@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000360505794 169205491 /nfs/dbraw/zinc/20/54/91/169205491.db2.gz ZUAJNBHBNINKFP-VIFPVBQESA-N 1 2 245.775 3.185 20 0 BGADLO CCC[N@@H+]1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000360505794 169205489 /nfs/dbraw/zinc/20/54/89/169205489.db2.gz ZUAJNBHBNINKFP-VIFPVBQESA-N 1 2 245.775 3.185 20 0 BGADLO Cc1[nH+]c2ccccc2n1C[C@H](O)CCC(C)C ZINC000360692578 180104169 /nfs/dbraw/zinc/10/41/69/180104169.db2.gz WIQVWONUCSOHRS-CYBMUJFWSA-N 1 2 246.354 3.142 20 0 BGADLO Cc1[nH+]c2ccccc2n1C[C@@H](O)CCC(C)C ZINC000360692579 180103953 /nfs/dbraw/zinc/10/39/53/180103953.db2.gz WIQVWONUCSOHRS-ZDUSSCGKSA-N 1 2 246.354 3.142 20 0 BGADLO CC[C@H](C)[C@@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000360877499 535913989 /nfs/dbraw/zinc/91/39/89/535913989.db2.gz PZYQLGXFZGTDNX-AAEUAGOBSA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@@H](C)[C@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000360877500 132279482 /nfs/dbraw/zinc/27/94/82/132279482.db2.gz PZYQLGXFZGTDNX-DGCLKSJQSA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@H](C)[C@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000360877502 132279433 /nfs/dbraw/zinc/27/94/33/132279433.db2.gz PZYQLGXFZGTDNX-WCQYABFASA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@@H](C)[C@@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000360877503 535702522 /nfs/dbraw/zinc/70/25/22/535702522.db2.gz PZYQLGXFZGTDNX-YPMHNXCESA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@H](C)[C@@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000360878025 535914621 /nfs/dbraw/zinc/91/46/21/535914621.db2.gz UUEXKTJDXQXMNM-AAEUAGOBSA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@@H](C)[C@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000360878026 132279425 /nfs/dbraw/zinc/27/94/25/132279425.db2.gz UUEXKTJDXQXMNM-DGCLKSJQSA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@H](C)[C@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000360878027 132279303 /nfs/dbraw/zinc/27/93/03/132279303.db2.gz UUEXKTJDXQXMNM-WCQYABFASA-N 1 2 233.359 3.190 20 0 BGADLO CC[C@@H](C)[C@@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000360878028 535701230 /nfs/dbraw/zinc/70/12/30/535701230.db2.gz UUEXKTJDXQXMNM-YPMHNXCESA-N 1 2 233.359 3.190 20 0 BGADLO Cc1nc(N2CCC[C@H]2C2CCCCC2)cc[nH+]1 ZINC000360964654 387374434 /nfs/dbraw/zinc/37/44/34/387374434.db2.gz WKQMBYYYFHTLJJ-AWEZNQCLSA-N 1 2 245.370 3.334 20 0 BGADLO Cc1nc(N2CCC[C@@H]2C2CCCCC2)cc[nH+]1 ZINC000360964655 187382021 /nfs/dbraw/zinc/38/20/21/187382021.db2.gz WKQMBYYYFHTLJJ-CQSZACIVSA-N 1 2 245.370 3.334 20 0 BGADLO CC[N@@H+](CCCC(=O)OC)c1cc(C)cc(C)c1 ZINC000360965209 387376342 /nfs/dbraw/zinc/37/63/42/387376342.db2.gz CMERLXNKEGVDME-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CC[N@H+](CCCC(=O)OC)c1cc(C)cc(C)c1 ZINC000360965209 387376335 /nfs/dbraw/zinc/37/63/35/387376335.db2.gz CMERLXNKEGVDME-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CC[N@@H+](CCCC(=O)OC)c1cccc(C)c1C ZINC000360965269 387374791 /nfs/dbraw/zinc/37/47/91/387374791.db2.gz DFGITTLVPFGUHR-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CC[N@H+](CCCC(=O)OC)c1cccc(C)c1C ZINC000360965269 387374786 /nfs/dbraw/zinc/37/47/86/387374786.db2.gz DFGITTLVPFGUHR-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO Cc1ccc([C@@H](C)N(C)c2cc[nH+]c(C)n2)cc1 ZINC000360965312 387375785 /nfs/dbraw/zinc/37/57/85/387375785.db2.gz FCJXDFRLWMGUFO-GFCCVEGCSA-N 1 2 241.338 3.291 20 0 BGADLO Cc1ccc([C@H](C)N(C)c2cc[nH+]c(C)n2)cc1 ZINC000360965313 387375454 /nfs/dbraw/zinc/37/54/54/387375454.db2.gz FCJXDFRLWMGUFO-LBPRGKRZSA-N 1 2 241.338 3.291 20 0 BGADLO CC[N@@H+](CCCC(=O)OC)c1cc(C)ccc1C ZINC000360965757 387376825 /nfs/dbraw/zinc/37/68/25/387376825.db2.gz JNQIFVLCSUSZLA-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CC[N@H+](CCCC(=O)OC)c1cc(C)ccc1C ZINC000360965757 387376821 /nfs/dbraw/zinc/37/68/21/387376821.db2.gz JNQIFVLCSUSZLA-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO Cc1nc(N(CC2CCCCC2)C2CC2)cc[nH+]1 ZINC000360967024 187382443 /nfs/dbraw/zinc/38/24/43/187382443.db2.gz UDLPFMLOHYCAKD-UHFFFAOYSA-N 1 2 245.370 3.334 20 0 BGADLO FC(F)C[N@@H+](CCCc1ccsc1)C1CC1 ZINC000360971183 387378983 /nfs/dbraw/zinc/37/89/83/387378983.db2.gz ZYBSWINIZCBDPZ-UHFFFAOYSA-N 1 2 245.338 3.410 20 0 BGADLO FC(F)C[N@H+](CCCc1ccsc1)C1CC1 ZINC000360971183 387378979 /nfs/dbraw/zinc/37/89/79/387378979.db2.gz ZYBSWINIZCBDPZ-UHFFFAOYSA-N 1 2 245.338 3.410 20 0 BGADLO COC(=O)CCC[N@H+](c1ccccc1C)C(C)C ZINC000360974185 387378071 /nfs/dbraw/zinc/37/80/71/387378071.db2.gz GLNUPJYIMWWCBY-UHFFFAOYSA-N 1 2 249.354 3.163 20 0 BGADLO COC(=O)CCC[N@@H+](c1ccccc1C)C(C)C ZINC000360974185 387378069 /nfs/dbraw/zinc/37/80/69/387378069.db2.gz GLNUPJYIMWWCBY-UHFFFAOYSA-N 1 2 249.354 3.163 20 0 BGADLO Cc1nc(N(C)CCC2CCCCC2)cc[nH+]1 ZINC000360974658 387377359 /nfs/dbraw/zinc/37/73/59/387377359.db2.gz JMVAHMSHYRLING-UHFFFAOYSA-N 1 2 233.359 3.192 20 0 BGADLO COC(=O)CCC[N@H+](c1cccc(C)c1)C(C)C ZINC000360976148 387378285 /nfs/dbraw/zinc/37/82/85/387378285.db2.gz TWZZNFYMPXRFIL-UHFFFAOYSA-N 1 2 249.354 3.163 20 0 BGADLO COC(=O)CCC[N@@H+](c1cccc(C)c1)C(C)C ZINC000360976148 387378281 /nfs/dbraw/zinc/37/82/81/387378281.db2.gz TWZZNFYMPXRFIL-UHFFFAOYSA-N 1 2 249.354 3.163 20 0 BGADLO C/C=C\CSCc1cn2c(cccc2C)[nH+]1 ZINC000360979759 188244019 /nfs/dbraw/zinc/24/40/19/188244019.db2.gz ZHTMEKZWKZVDKT-ARJAWSKDSA-N 1 2 232.352 3.452 20 0 BGADLO Cc1nc(N(CC2CC2)C2CCCCC2)cc[nH+]1 ZINC000360993841 387381837 /nfs/dbraw/zinc/38/18/37/387381837.db2.gz CJDHJVRJKYPXBR-UHFFFAOYSA-N 1 2 245.370 3.334 20 0 BGADLO Cc1nc(N2CCC3(CCCCC3)CC2)cc[nH+]1 ZINC000360998351 132279454 /nfs/dbraw/zinc/27/94/54/132279454.db2.gz PJGKCTVIXGUQSR-UHFFFAOYSA-N 1 2 245.370 3.336 20 0 BGADLO Cc1nc(N(C)C[C@@H](C)c2ccccc2)cc[nH+]1 ZINC000360998677 187218441 /nfs/dbraw/zinc/21/84/41/187218441.db2.gz QKLWIJPSNJLIIF-GFCCVEGCSA-N 1 2 241.338 3.025 20 0 BGADLO Cc1nc(N(C)C[C@H](C)c2ccccc2)cc[nH+]1 ZINC000360998678 187382694 /nfs/dbraw/zinc/38/26/94/187382694.db2.gz QKLWIJPSNJLIIF-LBPRGKRZSA-N 1 2 241.338 3.025 20 0 BGADLO CC[C@@H](Cc1ccccc1)Nc1cc[nH+]c(C)n1 ZINC000360999150 385498344 /nfs/dbraw/zinc/49/83/44/385498344.db2.gz SAUVAQYXWLLYIL-AWEZNQCLSA-N 1 2 241.338 3.218 20 0 BGADLO CC[C@H](Cc1ccccc1)Nc1cc[nH+]c(C)n1 ZINC000360999153 385498578 /nfs/dbraw/zinc/49/85/78/385498578.db2.gz SAUVAQYXWLLYIL-CQSZACIVSA-N 1 2 241.338 3.218 20 0 BGADLO Cc1nc(N2CCC[C@@H]2CC(C)(C)C)cc[nH+]1 ZINC000361004563 188070366 /nfs/dbraw/zinc/07/03/66/188070366.db2.gz RGTMQAFKJKZVFH-GFCCVEGCSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1nc(N2CCC[C@H]2CC(C)(C)C)cc[nH+]1 ZINC000361004564 387386004 /nfs/dbraw/zinc/38/60/04/387386004.db2.gz RGTMQAFKJKZVFH-LBPRGKRZSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1nc(N[C@@H]2CCC[C@@H](C(C)C)C2)cc[nH+]1 ZINC000361015731 180202755 /nfs/dbraw/zinc/20/27/55/180202755.db2.gz CNWWUFNWCVFFBX-CHWSQXEVSA-N 1 2 233.359 3.412 20 0 BGADLO Cc1nc(N[C@H]2CCC[C@@H](C(C)C)C2)cc[nH+]1 ZINC000361015736 180206051 /nfs/dbraw/zinc/20/60/51/180206051.db2.gz CNWWUFNWCVFFBX-OLZOCXBDSA-N 1 2 233.359 3.412 20 0 BGADLO Cc1nc(N[C@@H]2CCC[C@H](C(C)C)C2)cc[nH+]1 ZINC000361015738 180202217 /nfs/dbraw/zinc/20/22/17/180202217.db2.gz CNWWUFNWCVFFBX-QWHCGFSZSA-N 1 2 233.359 3.412 20 0 BGADLO Cc1nc(N[C@H]2CCC[C@H](C(C)C)C2)cc[nH+]1 ZINC000361015741 180205537 /nfs/dbraw/zinc/20/55/37/180205537.db2.gz CNWWUFNWCVFFBX-STQMWFEESA-N 1 2 233.359 3.412 20 0 BGADLO Cc1nc(N2CCCC3(CCCCC3)C2)cc[nH+]1 ZINC000361022746 132279456 /nfs/dbraw/zinc/27/94/56/132279456.db2.gz PVDNSNJKPBTUIE-UHFFFAOYSA-N 1 2 245.370 3.336 20 0 BGADLO Cc1ccc(N[C@H]2C[C@H](OC(C)C)C2(C)C)c[nH+]1 ZINC000361026089 387391353 /nfs/dbraw/zinc/39/13/53/387391353.db2.gz RFRMZKPKEDMXNC-KBPBESRZSA-N 1 2 248.370 3.394 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@H](OC(C)C)C2(C)C)c[nH+]1 ZINC000361026108 387392650 /nfs/dbraw/zinc/39/26/50/387392650.db2.gz RFRMZKPKEDMXNC-KGLIPLIRSA-N 1 2 248.370 3.394 20 0 BGADLO Cc1ccc(N[C@H]2C[C@@H](OC(C)C)C2(C)C)c[nH+]1 ZINC000361026109 387392729 /nfs/dbraw/zinc/39/27/29/387392729.db2.gz RFRMZKPKEDMXNC-UONOGXRCSA-N 1 2 248.370 3.394 20 0 BGADLO Cc1ccc(N[C@@H]2C[C@@H](OC(C)C)C2(C)C)c[nH+]1 ZINC000361026110 387392938 /nfs/dbraw/zinc/39/29/38/387392938.db2.gz RFRMZKPKEDMXNC-ZIAGYGMSSA-N 1 2 248.370 3.394 20 0 BGADLO Cc1nc(N2CCC[C@@]3(CC=CCC3)C2)cc[nH+]1 ZINC000361027344 132279952 /nfs/dbraw/zinc/27/99/52/132279952.db2.gz XUIXPTYAEXLVIV-HNNXBMFYSA-N 1 2 243.354 3.112 20 0 BGADLO Cc1nc(N2CCC[C@]3(CC=CCC3)C2)cc[nH+]1 ZINC000361027345 132279618 /nfs/dbraw/zinc/27/96/18/132279618.db2.gz XUIXPTYAEXLVIV-OAHLLOKOSA-N 1 2 243.354 3.112 20 0 BGADLO Cc1nc(N2CCC[C@@H](C(C)(C)C)CC2)cc[nH+]1 ZINC000361033528 188070926 /nfs/dbraw/zinc/07/09/26/188070926.db2.gz SWCDUFBQKKHRFK-CYBMUJFWSA-N 1 2 247.386 3.438 20 0 BGADLO Cc1nc(N2CCC[C@H](C(C)(C)C)CC2)cc[nH+]1 ZINC000361033531 397969276 /nfs/dbraw/zinc/96/92/76/397969276.db2.gz SWCDUFBQKKHRFK-ZDUSSCGKSA-N 1 2 247.386 3.438 20 0 BGADLO Cc1nc(N[C@@H]2c3ccccc3C[C@H]2C)cc[nH+]1 ZINC000361035362 180205297 /nfs/dbraw/zinc/20/52/97/180205297.db2.gz ZTNYNOUSKAJGHW-BMIGLBTASA-N 1 2 239.322 3.130 20 0 BGADLO Cc1nc(N[C@@H]2c3ccccc3C[C@@H]2C)cc[nH+]1 ZINC000361035374 180206518 /nfs/dbraw/zinc/20/65/18/180206518.db2.gz ZTNYNOUSKAJGHW-BONVTDFDSA-N 1 2 239.322 3.130 20 0 BGADLO Cc1nc(N[C@H]2c3ccccc3C[C@H]2C)cc[nH+]1 ZINC000361035375 180208076 /nfs/dbraw/zinc/20/80/76/180208076.db2.gz ZTNYNOUSKAJGHW-MEBBXXQBSA-N 1 2 239.322 3.130 20 0 BGADLO Cc1nc(N[C@H]2c3ccccc3C[C@@H]2C)cc[nH+]1 ZINC000361035376 180207013 /nfs/dbraw/zinc/20/70/13/180207013.db2.gz ZTNYNOUSKAJGHW-ZUZCIYMTSA-N 1 2 239.322 3.130 20 0 BGADLO Cc1cc(N2CCC[C@H](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000361041847 132279878 /nfs/dbraw/zinc/27/98/78/132279878.db2.gz YNTYLWIYUYFFQX-CMPLNLGQSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2CCC[C@H](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000361041848 132279644 /nfs/dbraw/zinc/27/96/44/132279644.db2.gz YNTYLWIYUYFFQX-JQWIXIFHSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2CCC[C@@H](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000361041849 132279815 /nfs/dbraw/zinc/27/98/15/132279815.db2.gz YNTYLWIYUYFFQX-PWSUYJOCSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2CCC[C@@H](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000361041850 132279867 /nfs/dbraw/zinc/27/98/67/132279867.db2.gz YNTYLWIYUYFFQX-ZYHUDNBSSA-N 1 2 245.370 3.287 20 0 BGADLO CC(C)c1nc(NC2CCC(C)(C)CC2)cc[nH+]1 ZINC000361061941 387396740 /nfs/dbraw/zinc/39/67/40/387396740.db2.gz RQPWPSAQATYTEF-UHFFFAOYSA-N 1 2 247.386 3.403 20 0 BGADLO CC1(C)CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000361062240 387396081 /nfs/dbraw/zinc/39/60/81/387396081.db2.gz TYRJDNJQNYPTSY-UHFFFAOYSA-N 1 2 245.370 3.157 20 0 BGADLO c1ccc(C[C@H]2C[C@@H]2Nc2cccc[nH+]2)cc1 ZINC000361093796 387401708 /nfs/dbraw/zinc/40/17/08/387401708.db2.gz CMEMGDBAPSPHDE-KBPBESRZSA-N 1 2 224.307 3.125 20 0 BGADLO c1ccc(C[C@@H]2C[C@@H]2Nc2cccc[nH+]2)cc1 ZINC000361093797 387400499 /nfs/dbraw/zinc/40/04/99/387400499.db2.gz CMEMGDBAPSPHDE-KGLIPLIRSA-N 1 2 224.307 3.125 20 0 BGADLO c1ccc(C[C@H]2C[C@H]2Nc2cccc[nH+]2)cc1 ZINC000361093798 387401151 /nfs/dbraw/zinc/40/11/51/387401151.db2.gz CMEMGDBAPSPHDE-UONOGXRCSA-N 1 2 224.307 3.125 20 0 BGADLO c1ccc(C[C@@H]2C[C@H]2Nc2cccc[nH+]2)cc1 ZINC000361093799 387400526 /nfs/dbraw/zinc/40/05/26/387400526.db2.gz CMEMGDBAPSPHDE-ZIAGYGMSSA-N 1 2 224.307 3.125 20 0 BGADLO CC1=C(C)C[N@@H+](Cc2ncc(Cl)s2)CC1 ZINC000361113790 168085812 /nfs/dbraw/zinc/08/58/12/168085812.db2.gz NXZXNJPYRVCKIV-UHFFFAOYSA-N 1 2 242.775 3.339 20 0 BGADLO CC1=C(C)C[N@H+](Cc2ncc(Cl)s2)CC1 ZINC000361113790 168085809 /nfs/dbraw/zinc/08/58/09/168085809.db2.gz NXZXNJPYRVCKIV-UHFFFAOYSA-N 1 2 242.775 3.339 20 0 BGADLO Cc1nc(N[C@@H]2C[C@@H]2C2CCCCC2)cc[nH+]1 ZINC000361117956 180205230 /nfs/dbraw/zinc/20/52/30/180205230.db2.gz QFORLCGSLRQGAL-CHWSQXEVSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1nc(N[C@H]2C[C@@H]2C2CCCCC2)cc[nH+]1 ZINC000361117957 180206884 /nfs/dbraw/zinc/20/68/84/180206884.db2.gz QFORLCGSLRQGAL-OLZOCXBDSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1nc(N[C@@H]2C[C@H]2C2CCCCC2)cc[nH+]1 ZINC000361117958 180206290 /nfs/dbraw/zinc/20/62/90/180206290.db2.gz QFORLCGSLRQGAL-QWHCGFSZSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1nc(N[C@H]2C[C@H]2C2CCCCC2)cc[nH+]1 ZINC000361117959 180207733 /nfs/dbraw/zinc/20/77/33/180207733.db2.gz QFORLCGSLRQGAL-STQMWFEESA-N 1 2 231.343 3.166 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc[nH+]1 ZINC000361135742 180204672 /nfs/dbraw/zinc/20/46/72/180204672.db2.gz IUXPJYQBMYMOTJ-FRRDWIJNSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc[nH+]1 ZINC000361135743 180204656 /nfs/dbraw/zinc/20/46/56/180204656.db2.gz IUXPJYQBMYMOTJ-JHJVBQTASA-N 1 2 231.343 3.166 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc[nH+]1 ZINC000361135744 180205851 /nfs/dbraw/zinc/20/58/51/180205851.db2.gz IUXPJYQBMYMOTJ-RWMBFGLXSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc[nH+]1 ZINC000361135745 180205816 /nfs/dbraw/zinc/20/58/16/180205816.db2.gz IUXPJYQBMYMOTJ-YNEHKIRRSA-N 1 2 231.343 3.166 20 0 BGADLO FC1(F)CC[N@@H+](CCCc2ccsc2)C1 ZINC000361146224 387407288 /nfs/dbraw/zinc/40/72/88/387407288.db2.gz CBBNAOXVPHAAAW-UHFFFAOYSA-N 1 2 231.311 3.022 20 0 BGADLO FC1(F)CC[N@H+](CCCc2ccsc2)C1 ZINC000361146224 387407284 /nfs/dbraw/zinc/40/72/84/387407284.db2.gz CBBNAOXVPHAAAW-UHFFFAOYSA-N 1 2 231.311 3.022 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)nc[nH+]1 ZINC000361147156 178182071 /nfs/dbraw/zinc/18/20/71/178182071.db2.gz RESVALVQJJYOEF-FRRDWIJNSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)nc[nH+]1 ZINC000361147157 178182879 /nfs/dbraw/zinc/18/28/79/178182879.db2.gz RESVALVQJJYOEF-JHJVBQTASA-N 1 2 231.343 3.166 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)nc[nH+]1 ZINC000361147158 178182063 /nfs/dbraw/zinc/18/20/63/178182063.db2.gz RESVALVQJJYOEF-RWMBFGLXSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nc[nH+]1 ZINC000361147159 178182725 /nfs/dbraw/zinc/18/27/25/178182725.db2.gz RESVALVQJJYOEF-YNEHKIRRSA-N 1 2 231.343 3.166 20 0 BGADLO Cc1nc(N(C)Cc2ccc(Cl)cc2)cc[nH+]1 ZINC000361148086 387405684 /nfs/dbraw/zinc/40/56/84/387405684.db2.gz AJPDNYUAEATIGN-UHFFFAOYSA-N 1 2 247.729 3.075 20 0 BGADLO Cc1nc(N(C)[C@@H](C)c2ccc(F)cc2)cc[nH+]1 ZINC000361150155 387406337 /nfs/dbraw/zinc/40/63/37/387406337.db2.gz OIIZQPMUMZYMNN-JTQLQIEISA-N 1 2 245.301 3.122 20 0 BGADLO Cc1nc(N(C)[C@H](C)c2ccc(F)cc2)cc[nH+]1 ZINC000361150156 387407041 /nfs/dbraw/zinc/40/70/41/387407041.db2.gz OIIZQPMUMZYMNN-SNVBAGLBSA-N 1 2 245.301 3.122 20 0 BGADLO CCCCN(CCCC)c1cc[nH+]c(C)n1 ZINC000361159904 387408460 /nfs/dbraw/zinc/40/84/60/387408460.db2.gz RFICQHOOFLBBMI-UHFFFAOYSA-N 1 2 221.348 3.192 20 0 BGADLO CC(C)CCSc1[nH+]cnc2[nH]ccc21 ZINC000361175724 387410298 /nfs/dbraw/zinc/41/02/98/387410298.db2.gz AUJVPGUHZAAGPM-UHFFFAOYSA-N 1 2 221.329 3.096 20 0 BGADLO CC(C)O[C@H]1C[C@@H](Nc2cccc[nH+]2)C1(C)C ZINC000361240025 167282434 /nfs/dbraw/zinc/28/24/34/167282434.db2.gz ZOWNZJAUIAFMPF-NEPJUHHUSA-N 1 2 234.343 3.086 20 0 BGADLO CC(C)O[C@@H]1C[C@H](Nc2cccc[nH+]2)C1(C)C ZINC000361240026 167282456 /nfs/dbraw/zinc/28/24/56/167282456.db2.gz ZOWNZJAUIAFMPF-NWDGAFQWSA-N 1 2 234.343 3.086 20 0 BGADLO CC(C)O[C@H]1C[C@H](Nc2cccc[nH+]2)C1(C)C ZINC000361240027 167282635 /nfs/dbraw/zinc/28/26/35/167282635.db2.gz ZOWNZJAUIAFMPF-RYUDHWBXSA-N 1 2 234.343 3.086 20 0 BGADLO CC(C)O[C@@H]1C[C@@H](Nc2cccc[nH+]2)C1(C)C ZINC000361240028 167280644 /nfs/dbraw/zinc/28/06/44/167280644.db2.gz ZOWNZJAUIAFMPF-VXGBXAGGSA-N 1 2 234.343 3.086 20 0 BGADLO c1[nH+]c(SCC2CCC2)n2ccccc12 ZINC000361254451 387423677 /nfs/dbraw/zinc/42/36/77/387423677.db2.gz YMQCQPCITXTDQL-UHFFFAOYSA-N 1 2 218.325 3.227 20 0 BGADLO C[C@H]1Oc2c(cccc2F)[C@@H]1[NH2+]Cc1ccco1 ZINC000361269963 387429957 /nfs/dbraw/zinc/42/99/57/387429957.db2.gz BGBXKVJYWKKSAD-NOZJJQNGSA-N 1 2 247.269 3.031 20 0 BGADLO C[C@H]1Oc2c(cccc2F)[C@H]1[NH2+]Cc1ccco1 ZINC000361269964 387428464 /nfs/dbraw/zinc/42/84/64/387428464.db2.gz BGBXKVJYWKKSAD-RNCFNFMXSA-N 1 2 247.269 3.031 20 0 BGADLO C[C@@H]1Oc2c(cccc2F)[C@@H]1[NH2+]Cc1ccco1 ZINC000361269965 387429644 /nfs/dbraw/zinc/42/96/44/387429644.db2.gz BGBXKVJYWKKSAD-TVQRCGJNSA-N 1 2 247.269 3.031 20 0 BGADLO C[C@@H]1Oc2c(cccc2F)[C@H]1[NH2+]Cc1ccco1 ZINC000361269966 384342766 /nfs/dbraw/zinc/34/27/66/384342766.db2.gz BGBXKVJYWKKSAD-ZANVPECISA-N 1 2 247.269 3.031 20 0 BGADLO CC[C@@H](C)C[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000361279697 387432422 /nfs/dbraw/zinc/43/24/22/387432422.db2.gz AMXPADTYMZPCCD-GHMZBOCLSA-N 1 2 233.359 3.013 20 0 BGADLO CC[C@@H](C)C[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000361279698 387432616 /nfs/dbraw/zinc/43/26/16/387432616.db2.gz AMXPADTYMZPCCD-MNOVXSKESA-N 1 2 233.359 3.013 20 0 BGADLO CC[C@H](C)C[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000361279699 171296308 /nfs/dbraw/zinc/29/63/08/171296308.db2.gz AMXPADTYMZPCCD-QWRGUYRKSA-N 1 2 233.359 3.013 20 0 BGADLO CC[C@H](C)C[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000361279700 171293589 /nfs/dbraw/zinc/29/35/89/171293589.db2.gz AMXPADTYMZPCCD-WDEREUQCSA-N 1 2 233.359 3.013 20 0 BGADLO CC[C@@H](C)C[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000361279923 387432640 /nfs/dbraw/zinc/43/26/40/387432640.db2.gz FKMDQMVEXDZPNH-GHMZBOCLSA-N 1 2 247.386 3.321 20 0 BGADLO CC[C@@H](C)C[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000361279924 387431198 /nfs/dbraw/zinc/43/11/98/387431198.db2.gz FKMDQMVEXDZPNH-MNOVXSKESA-N 1 2 247.386 3.321 20 0 BGADLO CC[C@H](C)C[C@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000361279925 171296296 /nfs/dbraw/zinc/29/62/96/171296296.db2.gz FKMDQMVEXDZPNH-QWRGUYRKSA-N 1 2 247.386 3.321 20 0 BGADLO CC[C@H](C)C[C@@H](C)Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000361279926 171292905 /nfs/dbraw/zinc/29/29/05/171292905.db2.gz FKMDQMVEXDZPNH-WDEREUQCSA-N 1 2 247.386 3.321 20 0 BGADLO Cc1ccc(CC[C@H](C)Nc2cc(C)[nH+]cn2)o1 ZINC000361281293 178178628 /nfs/dbraw/zinc/17/86/28/178178628.db2.gz NQVKMXXNGITFEX-JTQLQIEISA-N 1 2 245.326 3.120 20 0 BGADLO Cc1ccc(CC[C@@H](C)Nc2cc(C)[nH+]cn2)o1 ZINC000361281294 178186554 /nfs/dbraw/zinc/18/65/54/178186554.db2.gz NQVKMXXNGITFEX-SNVBAGLBSA-N 1 2 245.326 3.120 20 0 BGADLO CC[C@@H](C)C[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000361288847 387430933 /nfs/dbraw/zinc/43/09/33/387430933.db2.gz OXLGNRZUUCWOSD-NEPJUHHUSA-N 1 2 235.375 3.259 20 0 BGADLO CC[C@H](C)C[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000361288848 171293289 /nfs/dbraw/zinc/29/32/89/171293289.db2.gz OXLGNRZUUCWOSD-NWDGAFQWSA-N 1 2 235.375 3.259 20 0 BGADLO CC[C@H](C)C[C@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000361288849 171297040 /nfs/dbraw/zinc/29/70/40/171297040.db2.gz OXLGNRZUUCWOSD-RYUDHWBXSA-N 1 2 235.375 3.259 20 0 BGADLO CC[C@@H](C)C[C@@H](C)Nc1cc[nH+]c(C(C)C)n1 ZINC000361288850 387431988 /nfs/dbraw/zinc/43/19/88/387431988.db2.gz OXLGNRZUUCWOSD-VXGBXAGGSA-N 1 2 235.375 3.259 20 0 BGADLO Cc1ccc(CC[C@@H](C)Nc2cccc[nH+]2)o1 ZINC000361291029 187218944 /nfs/dbraw/zinc/21/89/44/187218944.db2.gz VFWSSBHNFACWCY-LLVKDONJSA-N 1 2 230.311 3.416 20 0 BGADLO Cc1ccc(CC[C@H](C)Nc2cccc[nH+]2)o1 ZINC000361291030 387433633 /nfs/dbraw/zinc/43/36/33/387433633.db2.gz VFWSSBHNFACWCY-NSHDSACASA-N 1 2 230.311 3.416 20 0 BGADLO CC[N@@H+](CC1(COC)CCC1)c1ccccc1 ZINC000361318637 385146693 /nfs/dbraw/zinc/14/66/93/385146693.db2.gz NZIYKYNQXWVBBX-UHFFFAOYSA-N 1 2 233.355 3.330 20 0 BGADLO CC[N@H+](CC1(COC)CCC1)c1ccccc1 ZINC000361318637 385146686 /nfs/dbraw/zinc/14/66/86/385146686.db2.gz NZIYKYNQXWVBBX-UHFFFAOYSA-N 1 2 233.355 3.330 20 0 BGADLO CCC(CC)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000361448177 168340087 /nfs/dbraw/zinc/34/00/87/168340087.db2.gz BRQIAELFPBCODX-UHFFFAOYSA-N 1 2 234.343 3.382 20 0 BGADLO Cc1[nH]c2ccc(NC(=O)CC3CCC3)cc2[nH+]1 ZINC000361461958 180094876 /nfs/dbraw/zinc/09/48/76/180094876.db2.gz CROWALFQYNZCMC-UHFFFAOYSA-N 1 2 243.310 3.000 20 0 BGADLO C[C@@H](F)CC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361505904 387474184 /nfs/dbraw/zinc/47/41/84/387474184.db2.gz XANPNQLFGNIVFL-GFCCVEGCSA-N 1 2 246.329 3.205 20 0 BGADLO C[C@@H](F)CC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361505904 387474180 /nfs/dbraw/zinc/47/41/80/387474180.db2.gz XANPNQLFGNIVFL-GFCCVEGCSA-N 1 2 246.329 3.205 20 0 BGADLO C[C@H](F)CC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361505905 387473471 /nfs/dbraw/zinc/47/34/71/387473471.db2.gz XANPNQLFGNIVFL-LBPRGKRZSA-N 1 2 246.329 3.205 20 0 BGADLO C[C@H](F)CC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361505905 387473468 /nfs/dbraw/zinc/47/34/68/387473468.db2.gz XANPNQLFGNIVFL-LBPRGKRZSA-N 1 2 246.329 3.205 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ccsc2Cl)C[C@H](C)O1 ZINC000361509586 177267240 /nfs/dbraw/zinc/26/72/40/177267240.db2.gz COUGQVRVOJLEJS-DTORHVGOSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ccsc2Cl)C[C@H](C)O1 ZINC000361509586 177267239 /nfs/dbraw/zinc/26/72/39/177267239.db2.gz COUGQVRVOJLEJS-DTORHVGOSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[NH+](Cc2ccsc2Cl)C[C@H](C)O1 ZINC000361509588 177269493 /nfs/dbraw/zinc/26/94/93/177269493.db2.gz COUGQVRVOJLEJS-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[NH+](Cc2ccsc2Cl)C[C@@H](C)O1 ZINC000361509589 176309249 /nfs/dbraw/zinc/30/92/49/176309249.db2.gz COUGQVRVOJLEJS-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO COCC[N@@H+](Cc1ccsc1Cl)C1CC1 ZINC000361510170 174300609 /nfs/dbraw/zinc/30/06/09/174300609.db2.gz ZBLIRHFKBDBTAP-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO COCC[N@H+](Cc1ccsc1Cl)C1CC1 ZINC000361510170 174300607 /nfs/dbraw/zinc/30/06/07/174300607.db2.gz ZBLIRHFKBDBTAP-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccsc1Cl ZINC000361511228 177269968 /nfs/dbraw/zinc/26/99/68/177269968.db2.gz PUCKYJVCJJXNLQ-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccsc1Cl ZINC000361511228 177269966 /nfs/dbraw/zinc/26/99/66/177269966.db2.gz PUCKYJVCJJXNLQ-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ccsc2Cl)[C@@H](C)CO1 ZINC000361511229 177302184 /nfs/dbraw/zinc/30/21/84/177302184.db2.gz PUCKYJVCJJXNLQ-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ccsc2Cl)[C@@H](C)CO1 ZINC000361511229 177302182 /nfs/dbraw/zinc/30/21/82/177302182.db2.gz PUCKYJVCJJXNLQ-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[N@@H+](Cc2ccsc2Cl)[C@@H](C)CO1 ZINC000361511230 177269347 /nfs/dbraw/zinc/26/93/47/177269347.db2.gz PUCKYJVCJJXNLQ-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[N@H+](Cc2ccsc2Cl)[C@@H](C)CO1 ZINC000361511230 177269345 /nfs/dbraw/zinc/26/93/45/177269345.db2.gz PUCKYJVCJJXNLQ-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ccsc2Cl)[C@H](C)CO1 ZINC000361511231 176309776 /nfs/dbraw/zinc/30/97/76/176309776.db2.gz PUCKYJVCJJXNLQ-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ccsc2Cl)[C@H](C)CO1 ZINC000361511231 176309775 /nfs/dbraw/zinc/30/97/75/176309775.db2.gz PUCKYJVCJJXNLQ-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000361548237 387484274 /nfs/dbraw/zinc/48/42/74/387484274.db2.gz IWFNNUNVOUQUHK-JTQLQIEISA-N 1 2 233.739 3.335 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2ccsc2Cl)C1 ZINC000361548237 387484268 /nfs/dbraw/zinc/48/42/68/387484268.db2.gz IWFNNUNVOUQUHK-JTQLQIEISA-N 1 2 233.739 3.335 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000361548242 387483921 /nfs/dbraw/zinc/48/39/21/387483921.db2.gz IWFNNUNVOUQUHK-SNVBAGLBSA-N 1 2 233.739 3.335 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2ccsc2Cl)C1 ZINC000361548242 387483918 /nfs/dbraw/zinc/48/39/18/387483918.db2.gz IWFNNUNVOUQUHK-SNVBAGLBSA-N 1 2 233.739 3.335 20 0 BGADLO C[C@@H]1CSCC[N@H+]1Cc1ccsc1Cl ZINC000361556277 176350953 /nfs/dbraw/zinc/35/09/53/176350953.db2.gz GJJQLRRBAWAUDZ-MRVPVSSYSA-N 1 2 247.816 3.339 20 0 BGADLO C[C@@H]1CSCC[N@@H+]1Cc1ccsc1Cl ZINC000361556277 176350952 /nfs/dbraw/zinc/35/09/52/176350952.db2.gz GJJQLRRBAWAUDZ-MRVPVSSYSA-N 1 2 247.816 3.339 20 0 BGADLO C[C@H]1CSCC[N@H+]1Cc1ccsc1Cl ZINC000361556278 177304985 /nfs/dbraw/zinc/30/49/85/177304985.db2.gz GJJQLRRBAWAUDZ-QMMMGPOBSA-N 1 2 247.816 3.339 20 0 BGADLO C[C@H]1CSCC[N@@H+]1Cc1ccsc1Cl ZINC000361556278 177304984 /nfs/dbraw/zinc/30/49/84/177304984.db2.gz GJJQLRRBAWAUDZ-QMMMGPOBSA-N 1 2 247.816 3.339 20 0 BGADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccsc1Cl ZINC000361558233 387489912 /nfs/dbraw/zinc/48/99/12/387489912.db2.gz VNYRQXYGHAWYDC-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccsc1Cl ZINC000361558233 387489905 /nfs/dbraw/zinc/48/99/05/387489905.db2.gz VNYRQXYGHAWYDC-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@@H+](Cc2ccsc2Cl)[C@H]1C ZINC000361558234 387490239 /nfs/dbraw/zinc/49/02/39/387490239.db2.gz VNYRQXYGHAWYDC-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@H+](Cc2ccsc2Cl)[C@H]1C ZINC000361558234 387490236 /nfs/dbraw/zinc/49/02/36/387490236.db2.gz VNYRQXYGHAWYDC-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1OCC[N@@H+](Cc2ccsc2Cl)[C@H]1C ZINC000361558235 387489328 /nfs/dbraw/zinc/48/93/28/387489328.db2.gz VNYRQXYGHAWYDC-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1OCC[N@H+](Cc2ccsc2Cl)[C@H]1C ZINC000361558235 387489326 /nfs/dbraw/zinc/48/93/26/387489326.db2.gz VNYRQXYGHAWYDC-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@@H+](Cc2ccsc2Cl)[C@@H]1C ZINC000361558236 177399680 /nfs/dbraw/zinc/39/96/80/177399680.db2.gz VNYRQXYGHAWYDC-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@H+](Cc2ccsc2Cl)[C@@H]1C ZINC000361558236 177399678 /nfs/dbraw/zinc/39/96/78/177399678.db2.gz VNYRQXYGHAWYDC-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO FCCCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000361559738 387490342 /nfs/dbraw/zinc/49/03/42/387490342.db2.gz WFQAXHDBPNMQAT-UHFFFAOYSA-N 1 2 246.329 3.207 20 0 BGADLO FCCCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000361559738 387490337 /nfs/dbraw/zinc/49/03/37/387490337.db2.gz WFQAXHDBPNMQAT-UHFFFAOYSA-N 1 2 246.329 3.207 20 0 BGADLO CC[C@H]1COCC[N@H+]1Cc1ccsc1Cl ZINC000361562301 387492124 /nfs/dbraw/zinc/49/21/24/387492124.db2.gz BGBCQEJWDHEPKT-JTQLQIEISA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1COCC[N@@H+]1Cc1ccsc1Cl ZINC000361562301 387492120 /nfs/dbraw/zinc/49/21/20/387492120.db2.gz BGBCQEJWDHEPKT-JTQLQIEISA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1COCC[N@H+]1Cc1ccsc1Cl ZINC000361562302 171105081 /nfs/dbraw/zinc/10/50/81/171105081.db2.gz BGBCQEJWDHEPKT-SNVBAGLBSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1COCC[N@@H+]1Cc1ccsc1Cl ZINC000361562302 171105077 /nfs/dbraw/zinc/10/50/77/171105077.db2.gz BGBCQEJWDHEPKT-SNVBAGLBSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccsc2Cl)CCO1 ZINC000361562741 387493391 /nfs/dbraw/zinc/49/33/91/387493391.db2.gz CKYOHTIOQUFSFM-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)C[N@H+](Cc2ccsc2Cl)CCO1 ZINC000361562741 387493388 /nfs/dbraw/zinc/49/33/88/387493388.db2.gz CKYOHTIOQUFSFM-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO COC1(C[N@@H+](CC(F)F)C2CC2)CCCCC1 ZINC000361569069 387495524 /nfs/dbraw/zinc/49/55/24/387495524.db2.gz ZQFXILVARCFPDI-UHFFFAOYSA-N 1 2 247.329 3.065 20 0 BGADLO COC1(C[N@H+](CC(F)F)C2CC2)CCCCC1 ZINC000361569069 387495523 /nfs/dbraw/zinc/49/55/23/387495523.db2.gz ZQFXILVARCFPDI-UHFFFAOYSA-N 1 2 247.329 3.065 20 0 BGADLO C[N@@H+](Cc1ccc[nH]1)Cc1ccsc1Cl ZINC000361580224 172861294 /nfs/dbraw/zinc/86/12/94/172861294.db2.gz WGAOJAUCLVFCCP-UHFFFAOYSA-N 1 2 240.759 3.362 20 0 BGADLO C[N@H+](Cc1ccc[nH]1)Cc1ccsc1Cl ZINC000361580224 172861290 /nfs/dbraw/zinc/86/12/90/172861290.db2.gz WGAOJAUCLVFCCP-UHFFFAOYSA-N 1 2 240.759 3.362 20 0 BGADLO COCC[N@@H+](CCCC1CCCC1)CC(F)F ZINC000361632590 174291164 /nfs/dbraw/zinc/29/11/64/174291164.db2.gz TWDAXOYJEDUCDP-UHFFFAOYSA-N 1 2 249.345 3.170 20 0 BGADLO COCC[N@H+](CCCC1CCCC1)CC(F)F ZINC000361632590 174291163 /nfs/dbraw/zinc/29/11/63/174291163.db2.gz TWDAXOYJEDUCDP-UHFFFAOYSA-N 1 2 249.345 3.170 20 0 BGADLO CCC1(CC)CN(c2cccc[nH+]2)CCS1 ZINC000361759865 535266339 /nfs/dbraw/zinc/26/63/39/535266339.db2.gz OHICZPLTIWYPAK-UHFFFAOYSA-N 1 2 236.384 3.194 20 0 BGADLO Cc1cc(C)c(CNc2cc[nH+]cc2F)cc1C ZINC000361798369 387534926 /nfs/dbraw/zinc/53/49/26/387534926.db2.gz LRXGUSUJZQIHTQ-UHFFFAOYSA-N 1 2 244.313 3.180 20 0 BGADLO FC1=CCC[N@@H+](CCc2cccc(Cl)c2)C1 ZINC000362276492 387591907 /nfs/dbraw/zinc/59/19/07/387591907.db2.gz GOSYRVOWHVZBCE-UHFFFAOYSA-N 1 2 239.721 3.442 20 0 BGADLO FC1=CCC[N@H+](CCc2cccc(Cl)c2)C1 ZINC000362276492 387591904 /nfs/dbraw/zinc/59/19/04/387591904.db2.gz GOSYRVOWHVZBCE-UHFFFAOYSA-N 1 2 239.721 3.442 20 0 BGADLO Cc1cc2cc(C[NH2+]CC(F)F)oc2cc1C ZINC000362304249 178294509 /nfs/dbraw/zinc/29/45/09/178294509.db2.gz FBLBEWMQQQPADW-UHFFFAOYSA-N 1 2 239.265 3.404 20 0 BGADLO Cc1cc2[nH]c(C[NH2+]CC(F)F)cc2c(C)c1 ZINC000362307112 387595159 /nfs/dbraw/zinc/59/51/59/387595159.db2.gz WUWBOYSMWHCVLV-UHFFFAOYSA-N 1 2 238.281 3.139 20 0 BGADLO FC(F)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000362310252 387593806 /nfs/dbraw/zinc/59/38/06/387593806.db2.gz YFUDINBIAYZWMV-UHFFFAOYSA-N 1 2 248.276 3.103 20 0 BGADLO Fc1cccc(F)c1C[NH+]1CC2(C1)CCCC2 ZINC000362321632 181000008 /nfs/dbraw/zinc/00/00/08/181000008.db2.gz KFCWNMPGVZBTQV-UHFFFAOYSA-N 1 2 237.293 3.341 20 0 BGADLO FC(F)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000362325868 387595711 /nfs/dbraw/zinc/59/57/11/387595711.db2.gz UYHNYRNURKJJOT-UHFFFAOYSA-N 1 2 248.276 3.103 20 0 BGADLO CC1=C[C@@H](C)CN(c2cc[nH+]c3ccncc32)C1 ZINC000362373304 132281067 /nfs/dbraw/zinc/28/10/67/132281067.db2.gz IYWWQBVANJPIIU-LLVKDONJSA-N 1 2 239.322 3.032 20 0 BGADLO CC1=C[C@H](C)CN(c2cc[nH+]c3ccncc32)C1 ZINC000362373305 132281270 /nfs/dbraw/zinc/28/12/70/132281270.db2.gz IYWWQBVANJPIIU-NSHDSACASA-N 1 2 239.322 3.032 20 0 BGADLO CC1=C[C@@H](C)CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000362375443 132281388 /nfs/dbraw/zinc/28/13/88/132281388.db2.gz JEKUNPQEGKZOCT-LLVKDONJSA-N 1 2 231.343 3.002 20 0 BGADLO CC1=C[C@H](C)CN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000362375444 132281301 /nfs/dbraw/zinc/28/13/01/132281301.db2.gz JEKUNPQEGKZOCT-NSHDSACASA-N 1 2 231.343 3.002 20 0 BGADLO Cc1cc(N2CC(C)=C[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000362376179 132281297 /nfs/dbraw/zinc/28/12/97/132281297.db2.gz PWYBQCCNLJCTOC-LLVKDONJSA-N 1 2 245.370 3.311 20 0 BGADLO Cc1cc(N2CC(C)=C[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000362376180 132281305 /nfs/dbraw/zinc/28/13/05/132281305.db2.gz PWYBQCCNLJCTOC-NSHDSACASA-N 1 2 245.370 3.311 20 0 BGADLO Cc1cc(N2CC(C)=C[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000362376545 132281358 /nfs/dbraw/zinc/28/13/58/132281358.db2.gz RSJSDWUBZRKNPN-JTQLQIEISA-N 1 2 243.354 3.065 20 0 BGADLO Cc1cc(N2CC(C)=C[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000362376546 132281210 /nfs/dbraw/zinc/28/12/10/132281210.db2.gz RSJSDWUBZRKNPN-SNVBAGLBSA-N 1 2 243.354 3.065 20 0 BGADLO CCCCCC(=O)Nc1c(C)cc[nH+]c1C ZINC000362396100 387607437 /nfs/dbraw/zinc/60/74/37/387607437.db2.gz LNKCMGOYGFLWPD-UHFFFAOYSA-N 1 2 220.316 3.217 20 0 BGADLO CCC[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000362396356 387608396 /nfs/dbraw/zinc/60/83/96/387608396.db2.gz NGHPIMDOZSIJFC-JTQLQIEISA-N 1 2 220.316 3.073 20 0 BGADLO CCC[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000362396357 169353092 /nfs/dbraw/zinc/35/30/92/169353092.db2.gz NGHPIMDOZSIJFC-SNVBAGLBSA-N 1 2 220.316 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)CCC(C)C ZINC000362398645 188244873 /nfs/dbraw/zinc/24/48/73/188244873.db2.gz XCJBMLUJCRFUGI-UHFFFAOYSA-N 1 2 220.316 3.073 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362524661 387625224 /nfs/dbraw/zinc/62/52/24/387625224.db2.gz IUPPVWZDYBIEIJ-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362524661 387625219 /nfs/dbraw/zinc/62/52/19/387625219.db2.gz IUPPVWZDYBIEIJ-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362524662 387624553 /nfs/dbraw/zinc/62/45/53/387624553.db2.gz IUPPVWZDYBIEIJ-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000362524662 387624549 /nfs/dbraw/zinc/62/45/49/387624549.db2.gz IUPPVWZDYBIEIJ-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO CC[C@@H](C)CSc1[nH+]cnc2[nH]ccc21 ZINC000362557894 387629847 /nfs/dbraw/zinc/62/98/47/387629847.db2.gz MLTRLNGPXZBFSI-MRVPVSSYSA-N 1 2 221.329 3.096 20 0 BGADLO CC[C@H](C)CSc1[nH+]cnc2[nH]ccc21 ZINC000362557895 171293578 /nfs/dbraw/zinc/29/35/78/171293578.db2.gz MLTRLNGPXZBFSI-QMMMGPOBSA-N 1 2 221.329 3.096 20 0 BGADLO CC[C@H]1CCC[C@@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000362558785 387629933 /nfs/dbraw/zinc/62/99/33/387629933.db2.gz BNUJLFIQYXOSQH-AAEUAGOBSA-N 1 2 245.370 3.075 20 0 BGADLO CC[C@@H]1CCC[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000362558786 356947485 /nfs/dbraw/zinc/94/74/85/356947485.db2.gz BNUJLFIQYXOSQH-DGCLKSJQSA-N 1 2 245.370 3.075 20 0 BGADLO CC[C@H]1CCC[C@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000362558787 387631500 /nfs/dbraw/zinc/63/15/00/387631500.db2.gz BNUJLFIQYXOSQH-WCQYABFASA-N 1 2 245.370 3.075 20 0 BGADLO CC[C@@H]1CCC[C@@H]1Nc1cc(C)[nH+]c(C2CC2)n1 ZINC000362558788 346870479 /nfs/dbraw/zinc/87/04/79/346870479.db2.gz BNUJLFIQYXOSQH-YPMHNXCESA-N 1 2 245.370 3.075 20 0 BGADLO CC[C@@H]1CCC[C@@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000362562568 356947243 /nfs/dbraw/zinc/94/72/43/356947243.db2.gz ZSNHVFXBTGHWSG-NEPJUHHUSA-N 1 2 233.359 3.013 20 0 BGADLO CC[C@H]1CCC[C@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000362562571 387629763 /nfs/dbraw/zinc/62/97/63/387629763.db2.gz ZSNHVFXBTGHWSG-NWDGAFQWSA-N 1 2 233.359 3.013 20 0 BGADLO CC[C@H]1CCC[C@@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000362562573 387630205 /nfs/dbraw/zinc/63/02/05/387630205.db2.gz ZSNHVFXBTGHWSG-RYUDHWBXSA-N 1 2 233.359 3.013 20 0 BGADLO CC[C@@H]1CCC[C@H]1Nc1cc[nH+]c(C(C)C)n1 ZINC000362562575 356947222 /nfs/dbraw/zinc/94/72/22/356947222.db2.gz ZSNHVFXBTGHWSG-VXGBXAGGSA-N 1 2 233.359 3.013 20 0 BGADLO C[C@H](COc1cccc(F)c1)Nc1cccc[nH+]1 ZINC000362573726 387633302 /nfs/dbraw/zinc/63/33/02/387633302.db2.gz WMKPTQXAXGZRNV-LLVKDONJSA-N 1 2 246.285 3.100 20 0 BGADLO C[C@@H](COc1cccc(F)c1)Nc1cccc[nH+]1 ZINC000362573727 384688018 /nfs/dbraw/zinc/68/80/18/384688018.db2.gz WMKPTQXAXGZRNV-NSHDSACASA-N 1 2 246.285 3.100 20 0 BGADLO Cc1[nH+]cccc1NCc1scnc1C1CC1 ZINC000362626526 538953332 /nfs/dbraw/zinc/95/33/32/538953332.db2.gz IBQRGRPAHAOFDS-UHFFFAOYSA-N 1 2 245.351 3.336 20 0 BGADLO Cc1cc[nH+]cc1NCc1scnc1C1CC1 ZINC000362629031 538953255 /nfs/dbraw/zinc/95/32/55/538953255.db2.gz XSOVKJFIEJKZCP-UHFFFAOYSA-N 1 2 245.351 3.336 20 0 BGADLO Cc1ccc(NCc2scnc2C2CC2)c[nH+]1 ZINC000362634214 538953632 /nfs/dbraw/zinc/95/36/32/538953632.db2.gz DMTSNVFGXOLMBN-UHFFFAOYSA-N 1 2 245.351 3.336 20 0 BGADLO Fc1ccc2cc[nH+]c(N3CCC=C(F)C3)c2c1 ZINC000362643557 132281774 /nfs/dbraw/zinc/28/17/74/132281774.db2.gz NDPYUWTXTJVNNT-UHFFFAOYSA-N 1 2 246.260 3.437 20 0 BGADLO Cc1c[nH+]cc(NCc2scnc2C2CC2)c1 ZINC000362649563 538953155 /nfs/dbraw/zinc/95/31/55/538953155.db2.gz QQNARMRIYSVIKI-UHFFFAOYSA-N 1 2 245.351 3.336 20 0 BGADLO Cc1[nH]ncc1C[NH+]1CCC(C2CCCC2)CC1 ZINC000362652740 387645804 /nfs/dbraw/zinc/64/58/04/387645804.db2.gz FJBSRUNBKNCESB-UHFFFAOYSA-N 1 2 247.386 3.120 20 0 BGADLO Cc1cscc1CNc1cc[nH+]c(C(C)C)n1 ZINC000362664709 387647545 /nfs/dbraw/zinc/64/75/45/387647545.db2.gz CJZINBMDZNEVRV-UHFFFAOYSA-N 1 2 247.367 3.004 20 0 BGADLO CCC1(CC)CCN(c2cc[nH+]c(C)n2)CC1 ZINC000362697051 132281788 /nfs/dbraw/zinc/28/17/88/132281788.db2.gz HURQHSKGLZNXAS-UHFFFAOYSA-N 1 2 233.359 3.192 20 0 BGADLO CC1(C)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000362697145 132281892 /nfs/dbraw/zinc/28/18/92/132281892.db2.gz IUNZPXRMLXJGAQ-UHFFFAOYSA-N 1 2 241.338 3.256 20 0 BGADLO CCOCCCOc1cc(C)[nH+]c2ccccc21 ZINC000362754102 170383996 /nfs/dbraw/zinc/38/39/96/170383996.db2.gz XCHVUQATPLBLAX-UHFFFAOYSA-N 1 2 245.322 3.349 20 0 BGADLO Cc1cc(OCCC(C)(C)O)c2ccccc2[nH+]1 ZINC000362754533 178209631 /nfs/dbraw/zinc/20/96/31/178209631.db2.gz ZTHZRVNNGMQILL-UHFFFAOYSA-N 1 2 245.322 3.083 20 0 BGADLO CCc1cccc(NCc2[nH+]ccn2C)c1CC ZINC000362756767 538953250 /nfs/dbraw/zinc/95/32/50/538953250.db2.gz PAANNYPLDOAVBY-UHFFFAOYSA-N 1 2 243.354 3.157 20 0 BGADLO CCc1cccc(NCc2c[nH+]cn2C)c1CC ZINC000362758788 538953270 /nfs/dbraw/zinc/95/32/70/538953270.db2.gz XDHDIWNTOVVUFB-UHFFFAOYSA-N 1 2 243.354 3.157 20 0 BGADLO CCCc1cccc(CNc2cc[nH+]cc2F)c1 ZINC000362796924 188072592 /nfs/dbraw/zinc/07/25/92/188072592.db2.gz XNYDVTFLRFQLRI-UHFFFAOYSA-N 1 2 244.313 3.207 20 0 BGADLO Fc1ccc2cc(CNc3cccc[nH+]3)[nH]c2c1 ZINC000362800473 387659809 /nfs/dbraw/zinc/65/98/09/387659809.db2.gz GMVNCFJETCSIDD-UHFFFAOYSA-N 1 2 241.269 3.314 20 0 BGADLO CC[C@@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000362837026 132281822 /nfs/dbraw/zinc/28/18/22/132281822.db2.gz LJNLSEDUJTWTPO-GFCCVEGCSA-N 1 2 241.338 3.256 20 0 BGADLO CC[C@H]1CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000362837027 132281863 /nfs/dbraw/zinc/28/18/63/132281863.db2.gz LJNLSEDUJTWTPO-LBPRGKRZSA-N 1 2 241.338 3.256 20 0 BGADLO C[C@@H]1CCCN(c2cc[nH+]c3ccncc32)CC1 ZINC000362839237 176102901 /nfs/dbraw/zinc/10/29/01/176102901.db2.gz HIVLRCCMOLVADT-GFCCVEGCSA-N 1 2 241.338 3.256 20 0 BGADLO C[C@H]1CCCN(c2cc[nH+]c3ccncc32)CC1 ZINC000362839238 177105193 /nfs/dbraw/zinc/10/51/93/177105193.db2.gz HIVLRCCMOLVADT-LBPRGKRZSA-N 1 2 241.338 3.256 20 0 BGADLO CN(Cc1ccccc1)c1cc[nH+]c2ccncc21 ZINC000362848147 172874137 /nfs/dbraw/zinc/87/41/37/172874137.db2.gz ACQGHJMCEUVHON-UHFFFAOYSA-N 1 2 249.317 3.266 20 0 BGADLO C[C@@H](Nc1cc[nH+]c2ccncc12)c1ccccc1 ZINC000362851059 387664623 /nfs/dbraw/zinc/66/46/23/387664623.db2.gz NLWUGAWNOJYGMM-GFCCVEGCSA-N 1 2 249.317 3.225 20 0 BGADLO C[C@H](Nc1cc[nH+]c2ccncc12)c1ccccc1 ZINC000362851061 387663973 /nfs/dbraw/zinc/66/39/73/387663973.db2.gz NLWUGAWNOJYGMM-LBPRGKRZSA-N 1 2 249.317 3.225 20 0 BGADLO C[C@H]1C[C@H](C)CN(c2cc[nH+]c3ccncc32)C1 ZINC000362851295 132281878 /nfs/dbraw/zinc/28/18/78/132281878.db2.gz DQOFLRPCLIUDEO-RYUDHWBXSA-N 1 2 241.338 3.112 20 0 BGADLO C[C@@H]1C[C@H](C)CN(c2cc[nH+]c3ccncc32)C1 ZINC000362851296 132281899 /nfs/dbraw/zinc/28/18/99/132281899.db2.gz DQOFLRPCLIUDEO-TXEJJXNPSA-N 1 2 241.338 3.112 20 0 BGADLO C[C@@H]1C[C@@H](C)CN(c2cc[nH+]c3ccncc32)C1 ZINC000362851297 132282263 /nfs/dbraw/zinc/28/22/63/132282263.db2.gz DQOFLRPCLIUDEO-VXGBXAGGSA-N 1 2 241.338 3.112 20 0 BGADLO CN(c1cc[nH+]c2ccncc21)C1CCCCC1 ZINC000362851760 387663455 /nfs/dbraw/zinc/66/34/55/387663455.db2.gz POPNEQUFZLVKOK-UHFFFAOYSA-N 1 2 241.338 3.399 20 0 BGADLO c1cc2[nH+]ccc(NCC3CCCCC3)c2cn1 ZINC000362855519 183363222 /nfs/dbraw/zinc/36/32/22/183363222.db2.gz NBABZGIJALGVDD-UHFFFAOYSA-N 1 2 241.338 3.044 20 0 BGADLO Cc1cc(F)ccc1CN(C)c1cccc[nH+]1 ZINC000362950790 178085676 /nfs/dbraw/zinc/08/56/76/178085676.db2.gz HXGWSDNDCFYZMM-UHFFFAOYSA-N 1 2 230.286 3.166 20 0 BGADLO CCc1cccc(NCc2[nH]cc[nH+]2)c1CC ZINC000362991016 538954051 /nfs/dbraw/zinc/95/40/51/538954051.db2.gz SQHPKXAUYPXTPA-UHFFFAOYSA-N 1 2 229.327 3.147 20 0 BGADLO CCCCC[C@@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000362993452 387686735 /nfs/dbraw/zinc/68/67/35/387686735.db2.gz QYXQFDWNMBAEEY-CYBMUJFWSA-N 1 2 233.359 3.334 20 0 BGADLO CCCCC[C@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000362993453 387686076 /nfs/dbraw/zinc/68/60/76/387686076.db2.gz QYXQFDWNMBAEEY-ZDUSSCGKSA-N 1 2 233.359 3.334 20 0 BGADLO CC/C=C/CC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000364136518 385042181 /nfs/dbraw/zinc/04/21/81/385042181.db2.gz BKYLUVSILYNNRF-IHVVCDCBSA-N 1 2 249.358 3.261 20 0 BGADLO CC/C=C/CC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000364136518 385042176 /nfs/dbraw/zinc/04/21/76/385042176.db2.gz BKYLUVSILYNNRF-IHVVCDCBSA-N 1 2 249.358 3.261 20 0 BGADLO CC/C=C/CC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000364136527 385039594 /nfs/dbraw/zinc/03/95/94/385039594.db2.gz BKYLUVSILYNNRF-MUBLQREKSA-N 1 2 249.358 3.261 20 0 BGADLO CC/C=C/CC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000364136527 385039586 /nfs/dbraw/zinc/03/95/86/385039586.db2.gz BKYLUVSILYNNRF-MUBLQREKSA-N 1 2 249.358 3.261 20 0 BGADLO Cc1cc(N2CCCC23CCC3)nc(C2CC2)[nH+]1 ZINC000365463396 178113111 /nfs/dbraw/zinc/11/31/11/178113111.db2.gz RBZIWPRHJDPPLQ-UHFFFAOYSA-N 1 2 243.354 3.185 20 0 BGADLO Clc1cccc2c1[C@H]([NH2+]Cc1ccco1)CO2 ZINC000367962110 386920579 /nfs/dbraw/zinc/92/05/79/386920579.db2.gz KHCGRUVEPXUGNW-LLVKDONJSA-N 1 2 249.697 3.156 20 0 BGADLO Clc1cccc2c1[C@@H]([NH2+]Cc1ccco1)CO2 ZINC000367962113 386920614 /nfs/dbraw/zinc/92/06/14/386920614.db2.gz KHCGRUVEPXUGNW-NSHDSACASA-N 1 2 249.697 3.156 20 0 BGADLO Cc1ccc(NC2CC(c3ccccn3)C2)c[nH+]1 ZINC000368028676 386933337 /nfs/dbraw/zinc/93/33/37/386933337.db2.gz FMLOULMWWYRWOU-UHFFFAOYSA-N 1 2 239.322 3.143 20 0 BGADLO Cc1cc(N2C[C@H]3CCCC[C@H]32)nc(C2CC2)[nH+]1 ZINC000368184258 178122218 /nfs/dbraw/zinc/12/22/18/178122218.db2.gz KTSVTBDTMKXPQH-CHWSQXEVSA-N 1 2 243.354 3.041 20 0 BGADLO Cl/C=C/C[N@H+]1CCC[C@@H]1c1nccs1 ZINC000368396799 386970041 /nfs/dbraw/zinc/97/00/41/386970041.db2.gz HAMGGCAEWBBKBN-HDMKULJXSA-N 1 2 228.748 3.033 20 0 BGADLO Cl/C=C/C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000368396799 386970039 /nfs/dbraw/zinc/97/00/39/386970039.db2.gz HAMGGCAEWBBKBN-HDMKULJXSA-N 1 2 228.748 3.033 20 0 BGADLO Cl/C=C/C[N@H+]1CCC[C@H]1c1nccs1 ZINC000368396800 386970134 /nfs/dbraw/zinc/97/01/34/386970134.db2.gz HAMGGCAEWBBKBN-LXOKAJLYSA-N 1 2 228.748 3.033 20 0 BGADLO Cl/C=C/C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000368396800 386970131 /nfs/dbraw/zinc/97/01/31/386970131.db2.gz HAMGGCAEWBBKBN-LXOKAJLYSA-N 1 2 228.748 3.033 20 0 BGADLO Cc1cc([C@@H]2CCN(c3cccc[nH+]3)C2)cs1 ZINC000368399852 178240688 /nfs/dbraw/zinc/24/06/88/178240688.db2.gz MHHFMZGNACDQDW-GFCCVEGCSA-N 1 2 244.363 3.445 20 0 BGADLO Cc1cc([C@H]2CCN(c3cccc[nH+]3)C2)cs1 ZINC000368399853 178269176 /nfs/dbraw/zinc/26/91/76/178269176.db2.gz MHHFMZGNACDQDW-LBPRGKRZSA-N 1 2 244.363 3.445 20 0 BGADLO COc1ccc([NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000368517437 175155688 /nfs/dbraw/zinc/15/56/88/175155688.db2.gz IBTRPONFFFKHQE-AWEZNQCLSA-N 1 2 247.338 3.066 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000368517443 175154147 /nfs/dbraw/zinc/15/41/47/175154147.db2.gz IBTRPONFFFKHQE-CQSZACIVSA-N 1 2 247.338 3.066 20 0 BGADLO F[C@@]1(c2ccccc2)CCN(c2cccc[nH+]2)C1 ZINC000369214040 387032993 /nfs/dbraw/zinc/03/29/93/387032993.db2.gz JGPYCPSGQJGXCV-HNNXBMFYSA-N 1 2 242.297 3.157 20 0 BGADLO F[C@]1(c2ccccc2)CCN(c2cccc[nH+]2)C1 ZINC000369214044 387034054 /nfs/dbraw/zinc/03/40/54/387034054.db2.gz JGPYCPSGQJGXCV-OAHLLOKOSA-N 1 2 242.297 3.157 20 0 BGADLO CCc1nc([C@H]2CCCC[N@H+]2CC=C(C)C)no1 ZINC000369238608 172008006 /nfs/dbraw/zinc/00/80/06/172008006.db2.gz DYVUXZIQOZNLLQ-GFCCVEGCSA-N 1 2 249.358 3.125 20 0 BGADLO CCc1nc([C@H]2CCCC[N@@H+]2CC=C(C)C)no1 ZINC000369238608 172008003 /nfs/dbraw/zinc/00/80/03/172008003.db2.gz DYVUXZIQOZNLLQ-GFCCVEGCSA-N 1 2 249.358 3.125 20 0 BGADLO CCc1nc([C@@H]2CCCC[N@H+]2CC=C(C)C)no1 ZINC000369238609 172004383 /nfs/dbraw/zinc/00/43/83/172004383.db2.gz DYVUXZIQOZNLLQ-LBPRGKRZSA-N 1 2 249.358 3.125 20 0 BGADLO CCc1nc([C@@H]2CCCC[N@@H+]2CC=C(C)C)no1 ZINC000369238609 172004381 /nfs/dbraw/zinc/00/43/81/172004381.db2.gz DYVUXZIQOZNLLQ-LBPRGKRZSA-N 1 2 249.358 3.125 20 0 BGADLO Cc1cc(N2CCC[C@@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000369378414 178114355 /nfs/dbraw/zinc/11/43/55/178114355.db2.gz RUWZPNGUUCHJAT-CYBMUJFWSA-N 1 2 243.354 3.041 20 0 BGADLO Cc1cc(N2CCC[C@H]2C2CC2)nc(C2CC2)[nH+]1 ZINC000369378415 178116738 /nfs/dbraw/zinc/11/67/38/178116738.db2.gz RUWZPNGUUCHJAT-ZDUSSCGKSA-N 1 2 243.354 3.041 20 0 BGADLO c1cc2[nH+]ccc(N3C[C@H]4CCCC[C@H]43)c2cn1 ZINC000370675126 183377293 /nfs/dbraw/zinc/37/72/93/183377293.db2.gz BZQCLWSKOWVHLN-BXUZGUMPSA-N 1 2 239.322 3.009 20 0 BGADLO CC(C)c1nc(N2CC(C)(C)[C@H]2C2CC2)cc[nH+]1 ZINC000370680365 188074067 /nfs/dbraw/zinc/07/40/67/188074067.db2.gz GNBPMRNWSBIZLG-CYBMUJFWSA-N 1 2 245.370 3.225 20 0 BGADLO CC(C)c1nc(N2CC(C)(C)[C@@H]2C2CC2)cc[nH+]1 ZINC000370680366 188073676 /nfs/dbraw/zinc/07/36/76/188073676.db2.gz GNBPMRNWSBIZLG-ZDUSSCGKSA-N 1 2 245.370 3.225 20 0 BGADLO c1sc(C2CC2)nc1C[N@@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000371154207 187222470 /nfs/dbraw/zinc/22/24/70/187222470.db2.gz IVGJISAFTXFGNE-QWHCGFSZSA-N 1 2 246.379 3.313 20 0 BGADLO c1sc(C2CC2)nc1C[N@H+]1[C@H]2C=CC[C@@H]1CC2 ZINC000371154207 187222467 /nfs/dbraw/zinc/22/24/67/187222467.db2.gz IVGJISAFTXFGNE-QWHCGFSZSA-N 1 2 246.379 3.313 20 0 BGADLO CCCC(=O)Nc1ccccc1-c1[nH]cc(C)[nH+]1 ZINC000371247449 387181823 /nfs/dbraw/zinc/18/18/23/387181823.db2.gz NEGLFQQZBJOYDE-UHFFFAOYSA-N 1 2 243.310 3.124 20 0 BGADLO Cc1nc(N2CCCC23CCCCC3)cc[nH+]1 ZINC000371373108 188247956 /nfs/dbraw/zinc/24/79/56/188247956.db2.gz ZXPCGTUVAFGURP-UHFFFAOYSA-N 1 2 231.343 3.088 20 0 BGADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccsc2)no1 ZINC000371395936 178265202 /nfs/dbraw/zinc/26/52/02/178265202.db2.gz LIRQIFRSCPHTKU-CYBMUJFWSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccsc2)no1 ZINC000371395936 178265200 /nfs/dbraw/zinc/26/52/00/178265200.db2.gz LIRQIFRSCPHTKU-CYBMUJFWSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccsc2)no1 ZINC000371395940 178241425 /nfs/dbraw/zinc/24/14/25/178241425.db2.gz LIRQIFRSCPHTKU-ZDUSSCGKSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccsc2)no1 ZINC000371395940 178241423 /nfs/dbraw/zinc/24/14/23/178241423.db2.gz LIRQIFRSCPHTKU-ZDUSSCGKSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)o1 ZINC000371396812 178241484 /nfs/dbraw/zinc/24/14/84/178241484.db2.gz UPXRPRXIXLGKMI-AWEZNQCLSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)o1 ZINC000371396812 178241483 /nfs/dbraw/zinc/24/14/83/178241483.db2.gz UPXRPRXIXLGKMI-AWEZNQCLSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)o1 ZINC000371396813 178266741 /nfs/dbraw/zinc/26/67/41/178266741.db2.gz UPXRPRXIXLGKMI-CQSZACIVSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)o1 ZINC000371396813 178266739 /nfs/dbraw/zinc/26/67/39/178266739.db2.gz UPXRPRXIXLGKMI-CQSZACIVSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1cccc([C@@H]2CC[N@@H+](CC(F)F)C2)c1 ZINC000371747555 387244788 /nfs/dbraw/zinc/24/47/88/387244788.db2.gz RMUDABWFYIAJRZ-GFCCVEGCSA-N 1 2 225.282 3.049 20 0 BGADLO Cc1cccc([C@@H]2CC[N@H+](CC(F)F)C2)c1 ZINC000371747555 387244785 /nfs/dbraw/zinc/24/47/85/387244785.db2.gz RMUDABWFYIAJRZ-GFCCVEGCSA-N 1 2 225.282 3.049 20 0 BGADLO Cc1cccc([C@H]2CC[N@@H+](CC(F)F)C2)c1 ZINC000371747556 187221944 /nfs/dbraw/zinc/22/19/44/187221944.db2.gz RMUDABWFYIAJRZ-LBPRGKRZSA-N 1 2 225.282 3.049 20 0 BGADLO Cc1cccc([C@H]2CC[N@H+](CC(F)F)C2)c1 ZINC000371747556 187221942 /nfs/dbraw/zinc/22/19/42/187221942.db2.gz RMUDABWFYIAJRZ-LBPRGKRZSA-N 1 2 225.282 3.049 20 0 BGADLO Cc1cc([C@@H]2CC[N@@H+](CC(F)F)C2)cs1 ZINC000372275290 178240365 /nfs/dbraw/zinc/24/03/65/178240365.db2.gz VONUHWAUIXLXFZ-SECBINFHSA-N 1 2 231.311 3.111 20 0 BGADLO Cc1cc([C@@H]2CC[N@H+](CC(F)F)C2)cs1 ZINC000372275290 178240363 /nfs/dbraw/zinc/24/03/63/178240363.db2.gz VONUHWAUIXLXFZ-SECBINFHSA-N 1 2 231.311 3.111 20 0 BGADLO Cc1cc([C@H]2CC[N@@H+](CC(F)F)C2)cs1 ZINC000372275291 178268270 /nfs/dbraw/zinc/26/82/70/178268270.db2.gz VONUHWAUIXLXFZ-VIFPVBQESA-N 1 2 231.311 3.111 20 0 BGADLO Cc1cc([C@H]2CC[N@H+](CC(F)F)C2)cs1 ZINC000372275291 178268266 /nfs/dbraw/zinc/26/82/66/178268266.db2.gz VONUHWAUIXLXFZ-VIFPVBQESA-N 1 2 231.311 3.111 20 0 BGADLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)o1 ZINC000372433338 387302341 /nfs/dbraw/zinc/30/23/41/387302341.db2.gz GHWSVEJSWACWON-GFCCVEGCSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)o1 ZINC000372433338 387302338 /nfs/dbraw/zinc/30/23/38/387302338.db2.gz GHWSVEJSWACWON-GFCCVEGCSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)o1 ZINC000372433339 387301230 /nfs/dbraw/zinc/30/12/30/387301230.db2.gz GHWSVEJSWACWON-LBPRGKRZSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)o1 ZINC000372433339 387301224 /nfs/dbraw/zinc/30/12/24/387301224.db2.gz GHWSVEJSWACWON-LBPRGKRZSA-N 1 2 248.351 3.382 20 0 BGADLO Fc1ccccc1[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC000372714048 387322552 /nfs/dbraw/zinc/32/25/52/387322552.db2.gz GKIROMAYKGEPFM-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccccc1[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC000372714048 387322545 /nfs/dbraw/zinc/32/25/45/387322545.db2.gz GKIROMAYKGEPFM-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccccc1[C@H]1CC[N@H+]1Cc1ccccn1 ZINC000372714049 181016107 /nfs/dbraw/zinc/01/61/07/181016107.db2.gz GKIROMAYKGEPFM-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccccc1[C@H]1CC[N@@H+]1Cc1ccccn1 ZINC000372714049 181016106 /nfs/dbraw/zinc/01/61/06/181016106.db2.gz GKIROMAYKGEPFM-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccccc1[C@@H]1CC[N@H+]1Cc1ccncc1 ZINC000372769557 387325813 /nfs/dbraw/zinc/32/58/13/387325813.db2.gz YXVMORVNSDLSDL-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccccc1[C@@H]1CC[N@@H+]1Cc1ccncc1 ZINC000372769557 387325806 /nfs/dbraw/zinc/32/58/06/387325806.db2.gz YXVMORVNSDLSDL-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccccc1[C@H]1CC[N@H+]1Cc1ccncc1 ZINC000372769559 181015903 /nfs/dbraw/zinc/01/59/03/181015903.db2.gz YXVMORVNSDLSDL-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccccc1[C@H]1CC[N@@H+]1Cc1ccncc1 ZINC000372769559 181015900 /nfs/dbraw/zinc/01/59/00/181015900.db2.gz YXVMORVNSDLSDL-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO CC/C=C/CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000373347407 387360025 /nfs/dbraw/zinc/36/00/25/387360025.db2.gz UXWQAQQPWXMYHB-ITDFMYJTSA-N 1 2 235.327 3.009 20 0 BGADLO CC/C=C/CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000373347407 387360021 /nfs/dbraw/zinc/36/00/21/387360021.db2.gz UXWQAQQPWXMYHB-ITDFMYJTSA-N 1 2 235.327 3.009 20 0 BGADLO CC/C=C/CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000373347408 387359421 /nfs/dbraw/zinc/35/94/21/387359421.db2.gz UXWQAQQPWXMYHB-OOPCZODUSA-N 1 2 235.327 3.009 20 0 BGADLO CC/C=C/CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000373347408 387359409 /nfs/dbraw/zinc/35/94/09/387359409.db2.gz UXWQAQQPWXMYHB-OOPCZODUSA-N 1 2 235.327 3.009 20 0 BGADLO Cc1cc(N2CC3(C2)CCCC3)nc(C2CC2)[nH+]1 ZINC000373603031 178113436 /nfs/dbraw/zinc/11/34/36/178113436.db2.gz XTZUVQTZQJRQRI-UHFFFAOYSA-N 1 2 243.354 3.043 20 0 BGADLO CC(C)c1nc(N2CCCC23CCC3)cc[nH+]1 ZINC000373886298 387400932 /nfs/dbraw/zinc/40/09/32/387400932.db2.gz SEGYIJWPCDANAG-UHFFFAOYSA-N 1 2 231.343 3.123 20 0 BGADLO Cc1cc(C[N@H+]2CC[C@H]2c2ccccc2F)on1 ZINC000374033655 178003355 /nfs/dbraw/zinc/00/33/55/178003355.db2.gz QJPARNUJAHFGOL-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1cc(C[N@@H+]2CC[C@H]2c2ccccc2F)on1 ZINC000374033655 178003353 /nfs/dbraw/zinc/00/33/53/178003353.db2.gz QJPARNUJAHFGOL-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1cc(C[N@H+]2CC[C@@H]2c2ccccc2F)on1 ZINC000374033657 178001209 /nfs/dbraw/zinc/00/12/09/178001209.db2.gz QJPARNUJAHFGOL-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1cc(C[N@@H+]2CC[C@@H]2c2ccccc2F)on1 ZINC000374033657 178001208 /nfs/dbraw/zinc/00/12/08/178001208.db2.gz QJPARNUJAHFGOL-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Fc1ccccc1[C@@H]1CC[N@H+]1C/C=C/Cl ZINC000374045131 192015098 /nfs/dbraw/zinc/01/50/98/192015098.db2.gz WGGJPNMBULPVGJ-QBODLPLBSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1ccccc1[C@@H]1CC[N@@H+]1C/C=C/Cl ZINC000374045131 192015097 /nfs/dbraw/zinc/01/50/97/192015097.db2.gz WGGJPNMBULPVGJ-QBODLPLBSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1ccccc1[C@H]1CC[N@H+]1C/C=C/Cl ZINC000374045132 187561877 /nfs/dbraw/zinc/56/18/77/187561877.db2.gz WGGJPNMBULPVGJ-QDBLGGKGSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1ccccc1[C@H]1CC[N@@H+]1C/C=C/Cl ZINC000374045132 187561875 /nfs/dbraw/zinc/56/18/75/187561875.db2.gz WGGJPNMBULPVGJ-QDBLGGKGSA-N 1 2 225.694 3.325 20 0 BGADLO c1coc(C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000374302170 387441308 /nfs/dbraw/zinc/44/13/08/387441308.db2.gz NIOXDBCJNUBXOT-LLVKDONJSA-N 1 2 234.324 3.073 20 0 BGADLO c1coc(C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000374302170 387441305 /nfs/dbraw/zinc/44/13/05/387441305.db2.gz NIOXDBCJNUBXOT-LLVKDONJSA-N 1 2 234.324 3.073 20 0 BGADLO c1coc(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000374302171 387440094 /nfs/dbraw/zinc/44/00/94/387440094.db2.gz NIOXDBCJNUBXOT-NSHDSACASA-N 1 2 234.324 3.073 20 0 BGADLO c1coc(C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000374302171 387440088 /nfs/dbraw/zinc/44/00/88/387440088.db2.gz NIOXDBCJNUBXOT-NSHDSACASA-N 1 2 234.324 3.073 20 0 BGADLO CC1=C(c2ccco2)CN(c2cccc[nH+]2)CC1 ZINC000374547628 535240476 /nfs/dbraw/zinc/24/04/76/535240476.db2.gz CGYMREWHCMSXCN-UHFFFAOYSA-N 1 2 240.306 3.358 20 0 BGADLO C[C@H]([NH2+][C@@H]1COc2cccc(F)c21)c1ccco1 ZINC000374682427 387480152 /nfs/dbraw/zinc/48/01/52/387480152.db2.gz ZOGYAAVMQAWTLT-GXSJLCMTSA-N 1 2 247.269 3.203 20 0 BGADLO C[C@@H]([NH2+][C@H]1COc2cccc(F)c21)c1ccco1 ZINC000374682428 387481620 /nfs/dbraw/zinc/48/16/20/387481620.db2.gz ZOGYAAVMQAWTLT-KOLCDFICSA-N 1 2 247.269 3.203 20 0 BGADLO C[C@@H]([NH2+][C@@H]1COc2cccc(F)c21)c1ccco1 ZINC000374682429 387480928 /nfs/dbraw/zinc/48/09/28/387480928.db2.gz ZOGYAAVMQAWTLT-MWLCHTKSSA-N 1 2 247.269 3.203 20 0 BGADLO C[C@H]([NH2+][C@H]1COc2cccc(F)c21)c1ccco1 ZINC000374682430 387481430 /nfs/dbraw/zinc/48/14/30/387481430.db2.gz ZOGYAAVMQAWTLT-ONGXEEELSA-N 1 2 247.269 3.203 20 0 BGADLO C[C@@H]([NH2+][C@@H]1COc2cccc(F)c21)c1ccoc1 ZINC000374713727 387485137 /nfs/dbraw/zinc/48/51/37/387485137.db2.gz KUARUFIIGFOQEK-BXKDBHETSA-N 1 2 247.269 3.203 20 0 BGADLO C[C@H]([NH2+][C@H]1COc2cccc(F)c21)c1ccoc1 ZINC000374713728 176927943 /nfs/dbraw/zinc/92/79/43/176927943.db2.gz KUARUFIIGFOQEK-CABZTGNLSA-N 1 2 247.269 3.203 20 0 BGADLO C[C@@H]([NH2+][C@H]1COc2cccc(F)c21)c1ccoc1 ZINC000374713730 387485601 /nfs/dbraw/zinc/48/56/01/387485601.db2.gz KUARUFIIGFOQEK-SKDRFNHKSA-N 1 2 247.269 3.203 20 0 BGADLO Cc1csc2c1CN(c1cccc[nH+]1)CC2 ZINC000374845365 132287582 /nfs/dbraw/zinc/28/75/82/132287582.db2.gz MFURLUCQLQHFPK-UHFFFAOYSA-N 1 2 230.336 3.014 20 0 BGADLO CCCCCCC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000375065960 168644704 /nfs/dbraw/zinc/64/47/04/168644704.db2.gz PHAFWSZOAGJWDB-GFCCVEGCSA-N 1 2 249.358 3.044 20 0 BGADLO CCCCCCC(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000375065961 387509282 /nfs/dbraw/zinc/50/92/82/387509282.db2.gz PHAFWSZOAGJWDB-LBPRGKRZSA-N 1 2 249.358 3.044 20 0 BGADLO c1ccc(C2(CNc3cccc[nH+]3)CCC2)nc1 ZINC000376196002 398025835 /nfs/dbraw/zinc/02/58/35/398025835.db2.gz BBWGROXERYEGLZ-UHFFFAOYSA-N 1 2 239.322 3.010 20 0 BGADLO Cc1ccc(NC2CCC3(CCCO3)CC2)c[nH+]1 ZINC000376407008 387628193 /nfs/dbraw/zinc/62/81/93/387628193.db2.gz GXMZEABBFVTBDX-UHFFFAOYSA-N 1 2 246.354 3.294 20 0 BGADLO c1ccc(C2=CCCN(c3cccc[nH+]3)C2)cc1 ZINC000376480069 132288997 /nfs/dbraw/zinc/28/89/97/132288997.db2.gz NDKGZOJPYDBVJY-UHFFFAOYSA-N 1 2 236.318 3.375 20 0 BGADLO Fc1ccccc1[C@H]1CC[N@H+]1Cc1cncs1 ZINC000376494667 181015686 /nfs/dbraw/zinc/01/56/86/181015686.db2.gz HGXCJOTZIKOCGB-CYBMUJFWSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1ccccc1[C@H]1CC[N@@H+]1Cc1cncs1 ZINC000376494667 181015684 /nfs/dbraw/zinc/01/56/84/181015684.db2.gz HGXCJOTZIKOCGB-CYBMUJFWSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1ccccc1[C@@H]1CC[N@H+]1Cc1cncs1 ZINC000376494668 387640958 /nfs/dbraw/zinc/64/09/58/387640958.db2.gz HGXCJOTZIKOCGB-ZDUSSCGKSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1ccccc1[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC000376494668 387640954 /nfs/dbraw/zinc/64/09/54/387640954.db2.gz HGXCJOTZIKOCGB-ZDUSSCGKSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1ccccc1[C@@H]1CC[N@H+]1Cc1ccco1 ZINC000376495629 187225643 /nfs/dbraw/zinc/22/56/43/187225643.db2.gz POPBADIHWMOVAU-AWEZNQCLSA-N 1 2 231.270 3.366 20 0 BGADLO Fc1ccccc1[C@@H]1CC[N@@H+]1Cc1ccco1 ZINC000376495629 187225641 /nfs/dbraw/zinc/22/56/41/187225641.db2.gz POPBADIHWMOVAU-AWEZNQCLSA-N 1 2 231.270 3.366 20 0 BGADLO Fc1ccccc1[C@H]1CC[N@H+]1Cc1ccco1 ZINC000376495630 181015579 /nfs/dbraw/zinc/01/55/79/181015579.db2.gz POPBADIHWMOVAU-CQSZACIVSA-N 1 2 231.270 3.366 20 0 BGADLO Fc1ccccc1[C@H]1CC[N@@H+]1Cc1ccco1 ZINC000376495630 181015578 /nfs/dbraw/zinc/01/55/78/181015578.db2.gz POPBADIHWMOVAU-CQSZACIVSA-N 1 2 231.270 3.366 20 0 BGADLO C[C@@H]1CCN(c2cccc[nH+]2)CC12CCC2 ZINC000376612380 132288930 /nfs/dbraw/zinc/28/89/30/132288930.db2.gz VWSFBBHBMALGOX-GFCCVEGCSA-N 1 2 216.328 3.098 20 0 BGADLO C[C@H]1CCN(c2cccc[nH+]2)CC12CCC2 ZINC000376612381 132289010 /nfs/dbraw/zinc/28/90/10/132289010.db2.gz VWSFBBHBMALGOX-LBPRGKRZSA-N 1 2 216.328 3.098 20 0 BGADLO Cc1cc[nH+]cc1NC1CC(c2ccccn2)C1 ZINC000377612949 387734043 /nfs/dbraw/zinc/73/40/43/387734043.db2.gz CGDGGUSMCXTTNE-UHFFFAOYSA-N 1 2 239.322 3.143 20 0 BGADLO Cc1nc([C@H]2CCCC[N@H+]2[C@@H]2C=CCCC2)no1 ZINC000377623317 180055849 /nfs/dbraw/zinc/05/58/49/180055849.db2.gz NREBWKJSFAGJPY-CHWSQXEVSA-N 1 2 247.342 3.014 20 0 BGADLO Cc1nc([C@H]2CCCC[N@@H+]2[C@@H]2C=CCCC2)no1 ZINC000377623317 180055846 /nfs/dbraw/zinc/05/58/46/180055846.db2.gz NREBWKJSFAGJPY-CHWSQXEVSA-N 1 2 247.342 3.014 20 0 BGADLO Cc1nc([C@@H]2CCCC[N@H+]2[C@@H]2C=CCCC2)no1 ZINC000377623333 180043460 /nfs/dbraw/zinc/04/34/60/180043460.db2.gz NREBWKJSFAGJPY-OLZOCXBDSA-N 1 2 247.342 3.014 20 0 BGADLO Cc1nc([C@@H]2CCCC[N@@H+]2[C@@H]2C=CCCC2)no1 ZINC000377623333 180043458 /nfs/dbraw/zinc/04/34/58/180043458.db2.gz NREBWKJSFAGJPY-OLZOCXBDSA-N 1 2 247.342 3.014 20 0 BGADLO Cc1nc([C@H]2CCCC[N@H+]2[C@H]2C=CCCC2)no1 ZINC000377623335 180054690 /nfs/dbraw/zinc/05/46/90/180054690.db2.gz NREBWKJSFAGJPY-QWHCGFSZSA-N 1 2 247.342 3.014 20 0 BGADLO Cc1nc([C@H]2CCCC[N@@H+]2[C@H]2C=CCCC2)no1 ZINC000377623335 180054688 /nfs/dbraw/zinc/05/46/88/180054688.db2.gz NREBWKJSFAGJPY-QWHCGFSZSA-N 1 2 247.342 3.014 20 0 BGADLO Cc1nc([C@@H]2CCCC[N@H+]2[C@H]2C=CCCC2)no1 ZINC000377623337 180041804 /nfs/dbraw/zinc/04/18/04/180041804.db2.gz NREBWKJSFAGJPY-STQMWFEESA-N 1 2 247.342 3.014 20 0 BGADLO Cc1nc([C@@H]2CCCC[N@@H+]2[C@H]2C=CCCC2)no1 ZINC000377623337 180041802 /nfs/dbraw/zinc/04/18/02/180041802.db2.gz NREBWKJSFAGJPY-STQMWFEESA-N 1 2 247.342 3.014 20 0 BGADLO Cc1nc([C@H](C)[N@H+]2C[C@H]3CCCCCC[C@H]32)no1 ZINC000377827311 180047033 /nfs/dbraw/zinc/04/70/33/180047033.db2.gz VJVHTUCXAHPZJQ-CYZMBNFOSA-N 1 2 249.358 3.094 20 0 BGADLO Cc1nc([C@H](C)[N@@H+]2C[C@H]3CCCCCC[C@H]32)no1 ZINC000377827311 180047031 /nfs/dbraw/zinc/04/70/31/180047031.db2.gz VJVHTUCXAHPZJQ-CYZMBNFOSA-N 1 2 249.358 3.094 20 0 BGADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3CCCCCC[C@@H]32)no1 ZINC000377827312 180046493 /nfs/dbraw/zinc/04/64/93/180046493.db2.gz VJVHTUCXAHPZJQ-DRZSPHRISA-N 1 2 249.358 3.094 20 0 BGADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3CCCCCC[C@@H]32)no1 ZINC000377827312 180046491 /nfs/dbraw/zinc/04/64/91/180046491.db2.gz VJVHTUCXAHPZJQ-DRZSPHRISA-N 1 2 249.358 3.094 20 0 BGADLO Cc1nc([C@H](C)[N@H+]2C[C@H]3CCCCCC[C@@H]32)no1 ZINC000377827313 180047654 /nfs/dbraw/zinc/04/76/54/180047654.db2.gz VJVHTUCXAHPZJQ-UHTWSYAYSA-N 1 2 249.358 3.094 20 0 BGADLO Cc1nc([C@H](C)[N@@H+]2C[C@H]3CCCCCC[C@@H]32)no1 ZINC000377827313 180047653 /nfs/dbraw/zinc/04/76/53/180047653.db2.gz VJVHTUCXAHPZJQ-UHTWSYAYSA-N 1 2 249.358 3.094 20 0 BGADLO Cc1nc([C@H](C)[N@H+]2C[C@@H]3CCCCCC[C@H]32)no1 ZINC000377827314 180047039 /nfs/dbraw/zinc/04/70/39/180047039.db2.gz VJVHTUCXAHPZJQ-WCFLWFBJSA-N 1 2 249.358 3.094 20 0 BGADLO Cc1nc([C@H](C)[N@@H+]2C[C@@H]3CCCCCC[C@H]32)no1 ZINC000377827314 180047037 /nfs/dbraw/zinc/04/70/37/180047037.db2.gz VJVHTUCXAHPZJQ-WCFLWFBJSA-N 1 2 249.358 3.094 20 0 BGADLO Clc1cccc2c1OC[C@H]2[NH2+]Cc1ccco1 ZINC000378088621 387765960 /nfs/dbraw/zinc/76/59/60/387765960.db2.gz HTSGXJCZNLMQQB-GFCCVEGCSA-N 1 2 249.697 3.156 20 0 BGADLO Clc1cccc2c1OC[C@@H]2[NH2+]Cc1ccco1 ZINC000378088622 387765203 /nfs/dbraw/zinc/76/52/03/387765203.db2.gz HTSGXJCZNLMQQB-LBPRGKRZSA-N 1 2 249.697 3.156 20 0 BGADLO Cc1cc(N2CC3CCC2CC3)nc(C2CC2)[nH+]1 ZINC000378408992 132290102 /nfs/dbraw/zinc/29/01/02/132290102.db2.gz BCKMZQJAODQUGL-UHFFFAOYSA-N 1 2 243.354 3.041 20 0 BGADLO c1cc2[nH+]ccc(N3CC4CCC3CC4)c2cn1 ZINC000378420316 132290009 /nfs/dbraw/zinc/29/00/09/132290009.db2.gz VEQNCHJZMLBVSB-UHFFFAOYSA-N 1 2 239.322 3.009 20 0 BGADLO COc1ccsc1[C@@H](C)[NH2+]CC(C)(F)F ZINC000378662633 371012669 /nfs/dbraw/zinc/01/26/69/371012669.db2.gz COVHVTZXQSSWRZ-SSDOTTSWSA-N 1 2 235.299 3.063 20 0 BGADLO COc1ccsc1[C@H](C)[NH2+]CC(C)(F)F ZINC000378662634 371012534 /nfs/dbraw/zinc/01/25/34/371012534.db2.gz COVHVTZXQSSWRZ-ZETCQYMHSA-N 1 2 235.299 3.063 20 0 BGADLO CSc1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000378672095 397826195 /nfs/dbraw/zinc/82/61/95/397826195.db2.gz KYQNGJVLBAARCU-UHFFFAOYSA-N 1 2 231.311 3.153 20 0 BGADLO Cc1ccc(C)c(C[NH2+]CC(C)(F)F)c1 ZINC000378676311 346802869 /nfs/dbraw/zinc/80/28/69/346802869.db2.gz POZIPGGSQWKPSC-UHFFFAOYSA-N 1 2 213.271 3.048 20 0 BGADLO Cc1cc(C[NH2+]CC(C)(F)F)ccc1Cl ZINC000378684605 346808011 /nfs/dbraw/zinc/80/80/11/346808011.db2.gz BRXIVNXFKZMOQJ-UHFFFAOYSA-N 1 2 233.689 3.393 20 0 BGADLO CCc1ccc(C[NH2+]CC(C)(F)F)s1 ZINC000378711368 346812466 /nfs/dbraw/zinc/81/24/66/346812466.db2.gz UCRFZZFGUQTWJC-UHFFFAOYSA-N 1 2 219.300 3.055 20 0 BGADLO COc1cccc([C@@H](C)[NH2+]CC(C)(F)F)c1 ZINC000378719526 356686142 /nfs/dbraw/zinc/68/61/42/356686142.db2.gz FCNKLTVMXPXNIK-SECBINFHSA-N 1 2 229.270 3.001 20 0 BGADLO COc1cccc([C@H](C)[NH2+]CC(C)(F)F)c1 ZINC000378719528 346815910 /nfs/dbraw/zinc/81/59/10/346815910.db2.gz FCNKLTVMXPXNIK-VIFPVBQESA-N 1 2 229.270 3.001 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000378725452 388486942 /nfs/dbraw/zinc/48/69/42/388486942.db2.gz AVWPAKBZMJCYLV-LLVKDONJSA-N 1 2 229.245 3.058 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000378725453 388487125 /nfs/dbraw/zinc/48/71/25/388487125.db2.gz AVWPAKBZMJCYLV-NSHDSACASA-N 1 2 229.245 3.058 20 0 BGADLO CC(F)(F)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000378725995 345503898 /nfs/dbraw/zinc/50/38/98/345503898.db2.gz BAOGSMIIWBKZRH-UHFFFAOYSA-N 1 2 237.652 3.224 20 0 BGADLO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(F)F)CC2 ZINC000378729101 346817101 /nfs/dbraw/zinc/81/71/01/346817101.db2.gz KDXRKDPMRHQBDR-GFCCVEGCSA-N 1 2 225.282 3.227 20 0 BGADLO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(F)F)CC2 ZINC000378729105 346816982 /nfs/dbraw/zinc/81/69/82/346816982.db2.gz KDXRKDPMRHQBDR-LBPRGKRZSA-N 1 2 225.282 3.227 20 0 BGADLO CC(F)(F)C[NH2+]Cc1cc(Cl)cs1 ZINC000378735744 346817849 /nfs/dbraw/zinc/81/78/49/346817849.db2.gz GGWHIZCEAWHYAB-UHFFFAOYSA-N 1 2 225.691 3.146 20 0 BGADLO Cc1cccc(C)c1C[NH2+]CC(C)(F)F ZINC000378738373 371017635 /nfs/dbraw/zinc/01/76/35/371017635.db2.gz NXCYPRJQBBLGLW-UHFFFAOYSA-N 1 2 213.271 3.048 20 0 BGADLO CC(F)(F)C[NH2+]Cc1ccc(Cl)cc1 ZINC000378742499 346821595 /nfs/dbraw/zinc/82/15/95/346821595.db2.gz JUQNDFNHUHPBOJ-UHFFFAOYSA-N 1 2 219.662 3.085 20 0 BGADLO COc1ccc([C@@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000378745568 346822254 /nfs/dbraw/zinc/82/22/54/346822254.db2.gz RGUKPLUHLCXLLV-SECBINFHSA-N 1 2 229.270 3.001 20 0 BGADLO COc1ccc([C@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000378745569 346822290 /nfs/dbraw/zinc/82/22/90/346822290.db2.gz RGUKPLUHLCXLLV-VIFPVBQESA-N 1 2 229.270 3.001 20 0 BGADLO Cc1cc(C)cc(C[NH2+]CC(C)(F)F)c1 ZINC000378746262 346821968 /nfs/dbraw/zinc/82/19/68/346821968.db2.gz ROFQYIINLVVCRQ-UHFFFAOYSA-N 1 2 213.271 3.048 20 0 BGADLO Cc1ccc(C[NH2+]CC(C)(F)F)cc1C ZINC000378746986 388494108 /nfs/dbraw/zinc/49/41/08/388494108.db2.gz RUNFAOZOLXCEEM-UHFFFAOYSA-N 1 2 213.271 3.048 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000378755156 346824982 /nfs/dbraw/zinc/82/49/82/346824982.db2.gz RQDDQFKTGYWXCY-GFCCVEGCSA-N 1 2 225.282 3.309 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCCc2ccccc21 ZINC000378755162 346824749 /nfs/dbraw/zinc/82/47/49/346824749.db2.gz RQDDQFKTGYWXCY-LBPRGKRZSA-N 1 2 225.282 3.309 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000378757309 356988019 /nfs/dbraw/zinc/98/80/19/356988019.db2.gz TWOWFHXUJNKJJQ-LLVKDONJSA-N 1 2 229.245 3.058 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000378757310 346825615 /nfs/dbraw/zinc/82/56/15/346825615.db2.gz TWOWFHXUJNKJJQ-NSHDSACASA-N 1 2 229.245 3.058 20 0 BGADLO CC(F)(F)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000378760052 346827051 /nfs/dbraw/zinc/82/70/51/346827051.db2.gz VKZYNMXDORJKAN-IHWYPQMZSA-N 1 2 229.245 3.084 20 0 BGADLO CC(F)(F)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000378760060 346827019 /nfs/dbraw/zinc/82/70/19/346827019.db2.gz VKZYNMXDORJKAN-NSCUHMNNSA-N 1 2 229.245 3.084 20 0 BGADLO CSc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)[nH+]c1 ZINC000378760433 346827137 /nfs/dbraw/zinc/82/71/37/346827137.db2.gz AUAQCGRUPJYZGG-MVWJERBFSA-N 1 2 234.368 3.404 20 0 BGADLO CSc1ccc(N[C@H]2CCC[C@H]3C[C@H]32)[nH+]c1 ZINC000378760436 357007562 /nfs/dbraw/zinc/00/75/62/357007562.db2.gz AUAQCGRUPJYZGG-WCQGTBRESA-N 1 2 234.368 3.404 20 0 BGADLO CC(F)(F)C[NH2+]Cc1ccc(Cl)s1 ZINC000378765782 371019633 /nfs/dbraw/zinc/01/96/33/371019633.db2.gz YESIBQBRFCOLQU-UHFFFAOYSA-N 1 2 225.691 3.146 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000378765904 346829376 /nfs/dbraw/zinc/82/93/76/346829376.db2.gz CQYGPXQGXIYWPK-VLEAKVRGSA-N 1 2 235.293 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000378765907 346829335 /nfs/dbraw/zinc/82/93/35/346829335.db2.gz CQYGPXQGXIYWPK-ZDCRXTMVSA-N 1 2 235.293 3.352 20 0 BGADLO CC[C@@H]([NH2+]CC(C)(F)F)c1cccs1 ZINC000378770490 397829493 /nfs/dbraw/zinc/82/94/93/397829493.db2.gz BVTUPERLOQVHEV-MRVPVSSYSA-N 1 2 219.300 3.444 20 0 BGADLO CC[C@H]([NH2+]CC(C)(F)F)c1cccs1 ZINC000378770491 397829559 /nfs/dbraw/zinc/82/95/59/397829559.db2.gz BVTUPERLOQVHEV-QMMMGPOBSA-N 1 2 219.300 3.444 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]CC(C)(F)F)c(C)o1 ZINC000378776319 345561458 /nfs/dbraw/zinc/56/14/58/345561458.db2.gz FJYMDBRTUZMOBJ-MRVPVSSYSA-N 1 2 217.259 3.202 20 0 BGADLO Cc1cc([C@H](C)[NH2+]CC(C)(F)F)c(C)o1 ZINC000378776321 345561593 /nfs/dbraw/zinc/56/15/93/345561593.db2.gz FJYMDBRTUZMOBJ-QMMMGPOBSA-N 1 2 217.259 3.202 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]CC(C)(F)F)c(C)n1 ZINC000378778234 388502262 /nfs/dbraw/zinc/50/22/62/388502262.db2.gz GEZAUUMCDMTUCU-SECBINFHSA-N 1 2 228.286 3.004 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]CC(C)(F)F)c(C)n1 ZINC000378778240 388502256 /nfs/dbraw/zinc/50/22/56/388502256.db2.gz GEZAUUMCDMTUCU-VIFPVBQESA-N 1 2 228.286 3.004 20 0 BGADLO CCc1nc(C)c([C@@H](C)[NH2+]CC(C)(F)F)s1 ZINC000378778373 346830777 /nfs/dbraw/zinc/83/07/77/346830777.db2.gz INAXNVHCUIQAJC-SSDOTTSWSA-N 1 2 248.342 3.320 20 0 BGADLO CCc1nc(C)c([C@H](C)[NH2+]CC(C)(F)F)s1 ZINC000378778383 346831018 /nfs/dbraw/zinc/83/10/18/346831018.db2.gz INAXNVHCUIQAJC-ZETCQYMHSA-N 1 2 248.342 3.320 20 0 BGADLO Cc1cc(Cl)ccc1C[NH2+]CC(C)(F)F ZINC000378805891 388506461 /nfs/dbraw/zinc/50/64/61/388506461.db2.gz XAKHQTFLIUSOAG-UHFFFAOYSA-N 1 2 233.689 3.393 20 0 BGADLO CC(F)(F)C[NH2+]Cc1sccc1Cl ZINC000378806787 346838601 /nfs/dbraw/zinc/83/86/01/346838601.db2.gz YRCZGDAMGOVYKN-UHFFFAOYSA-N 1 2 225.691 3.146 20 0 BGADLO CC[C@@H]([NH2+]CC(C)(F)F)c1ccccc1 ZINC000378807754 346839526 /nfs/dbraw/zinc/83/95/26/346839526.db2.gz ZKXUREFPSRCPOX-LLVKDONJSA-N 1 2 213.271 3.383 20 0 BGADLO CC[C@H]([NH2+]CC(C)(F)F)c1ccccc1 ZINC000378807755 346839510 /nfs/dbraw/zinc/83/95/10/346839510.db2.gz ZKXUREFPSRCPOX-NSHDSACASA-N 1 2 213.271 3.383 20 0 BGADLO Cc1sccc1C[NH2+]C(C)(C)C(F)F ZINC000378851780 388523454 /nfs/dbraw/zinc/52/34/54/388523454.db2.gz GFYZICQIHYWUNJ-UHFFFAOYSA-N 1 2 219.300 3.190 20 0 BGADLO Cc1ccsc1[C@@H](C)[NH2+]CC(C)(F)F ZINC000378851971 346846608 /nfs/dbraw/zinc/84/66/08/346846608.db2.gz GLLLTLLJRXRZSB-MRVPVSSYSA-N 1 2 219.300 3.362 20 0 BGADLO Cc1ccsc1[C@H](C)[NH2+]CC(C)(F)F ZINC000378851972 346846626 /nfs/dbraw/zinc/84/66/26/346846626.db2.gz GLLLTLLJRXRZSB-QMMMGPOBSA-N 1 2 219.300 3.362 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1cccc(F)c1 ZINC000378855632 346849895 /nfs/dbraw/zinc/84/98/95/346849895.db2.gz KBKJORVBXSSDPK-MRVPVSSYSA-N 1 2 217.234 3.132 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1cccc(F)c1 ZINC000378855633 346849597 /nfs/dbraw/zinc/84/95/97/346849597.db2.gz KBKJORVBXSSDPK-QMMMGPOBSA-N 1 2 217.234 3.132 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc(F)c(F)c1 ZINC000378858245 345690798 /nfs/dbraw/zinc/69/07/98/345690798.db2.gz MIWUQNUCZRIQKN-SSDOTTSWSA-N 1 2 235.224 3.271 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1ccc(F)c(F)c1 ZINC000378858246 345691039 /nfs/dbraw/zinc/69/10/39/345691039.db2.gz MIWUQNUCZRIQKN-ZETCQYMHSA-N 1 2 235.224 3.271 20 0 BGADLO CC(F)(F)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000378860106 346848176 /nfs/dbraw/zinc/84/81/76/346848176.db2.gz OFNYGERKUVQGPK-UHFFFAOYSA-N 1 2 248.342 3.185 20 0 BGADLO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(F)F ZINC000378861071 346848325 /nfs/dbraw/zinc/84/83/25/346848325.db2.gz QGAOSUUFOOJJKT-BXKDBHETSA-N 1 2 225.282 3.165 20 0 BGADLO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(F)F ZINC000378861072 346848304 /nfs/dbraw/zinc/84/83/04/346848304.db2.gz QGAOSUUFOOJJKT-CABZTGNLSA-N 1 2 225.282 3.165 20 0 BGADLO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(F)F ZINC000378861073 346848274 /nfs/dbraw/zinc/84/82/74/346848274.db2.gz QGAOSUUFOOJJKT-JOYOIKCWSA-N 1 2 225.282 3.165 20 0 BGADLO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(F)F ZINC000378861074 346848083 /nfs/dbraw/zinc/84/80/83/346848083.db2.gz QGAOSUUFOOJJKT-SKDRFNHKSA-N 1 2 225.282 3.165 20 0 BGADLO CC(C)c1ncc(C[NH2+]CC(C)(F)F)s1 ZINC000378861916 346847947 /nfs/dbraw/zinc/84/79/47/346847947.db2.gz RXDNZDHWFGBYQW-UHFFFAOYSA-N 1 2 234.315 3.011 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc(F)cc1 ZINC000378863776 346848870 /nfs/dbraw/zinc/84/88/70/346848870.db2.gz WEVIQHKRLDZVMP-MRVPVSSYSA-N 1 2 217.234 3.132 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1ccc(F)cc1 ZINC000378863777 346848704 /nfs/dbraw/zinc/84/87/04/346848704.db2.gz WEVIQHKRLDZVMP-QMMMGPOBSA-N 1 2 217.234 3.132 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccsc1 ZINC000378871288 346851263 /nfs/dbraw/zinc/85/12/63/346851263.db2.gz OHAQICWGBHYBIB-SSDOTTSWSA-N 1 2 205.273 3.054 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1ccsc1 ZINC000378871289 346851350 /nfs/dbraw/zinc/85/13/50/346851350.db2.gz OHAQICWGBHYBIB-ZETCQYMHSA-N 1 2 205.273 3.054 20 0 BGADLO C[NH+](C)c1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378905050 712367137 /nfs/dbraw/zinc/36/71/37/712367137.db2.gz YQSRMKWGVOWDTA-UGFHNGPFSA-N 1 2 230.355 3.353 20 0 BGADLO CN(C)c1ccc([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378905050 712367136 /nfs/dbraw/zinc/36/71/36/712367136.db2.gz YQSRMKWGVOWDTA-UGFHNGPFSA-N 1 2 230.355 3.353 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(OC)c1 ZINC000378920352 712367981 /nfs/dbraw/zinc/36/79/81/712367981.db2.gz OTZFYLQMOFLBHS-KGYLQXTDSA-N 1 2 247.338 3.304 20 0 BGADLO COc1ccc([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(OC)c1 ZINC000378920353 712368003 /nfs/dbraw/zinc/36/80/03/712368003.db2.gz OTZFYLQMOFLBHS-WXHSDQCUSA-N 1 2 247.338 3.304 20 0 BGADLO COc1ccc[nH+]c1NCc1cc(C)cs1 ZINC000379254213 388603079 /nfs/dbraw/zinc/60/30/79/388603079.db2.gz DMBJNTDUCQUOFH-UHFFFAOYSA-N 1 2 234.324 3.072 20 0 BGADLO CC[C@H]1C[N@@H+](C/C(Cl)=C\Cl)CCS1 ZINC000379372620 711800705 /nfs/dbraw/zinc/80/07/05/711800705.db2.gz JVHFSYJBRKUALV-QRJSTWQJSA-N 1 2 240.199 3.133 20 0 BGADLO CC[C@H]1C[N@H+](C/C(Cl)=C\Cl)CCS1 ZINC000379372620 711800704 /nfs/dbraw/zinc/80/07/04/711800704.db2.gz JVHFSYJBRKUALV-QRJSTWQJSA-N 1 2 240.199 3.133 20 0 BGADLO CC[C@@H]1C[N@@H+](C/C(Cl)=C\Cl)CCS1 ZINC000379372621 712378051 /nfs/dbraw/zinc/37/80/51/712378051.db2.gz JVHFSYJBRKUALV-WHXYTISESA-N 1 2 240.199 3.133 20 0 BGADLO CC[C@@H]1C[N@H+](C/C(Cl)=C\Cl)CCS1 ZINC000379372621 712378048 /nfs/dbraw/zinc/37/80/48/712378048.db2.gz JVHFSYJBRKUALV-WHXYTISESA-N 1 2 240.199 3.133 20 0 BGADLO FC(F)(F)[C@H]([NH2+]CC1CCCCC1)C1CC1 ZINC000379426512 357355917 /nfs/dbraw/zinc/35/59/17/357355917.db2.gz CHUCQSXYMHAPBK-LLVKDONJSA-N 1 2 235.293 3.497 20 0 BGADLO FC(F)(F)[C@@H]([NH2+]CC1CCCCC1)C1CC1 ZINC000379426524 357684941 /nfs/dbraw/zinc/68/49/41/357684941.db2.gz CHUCQSXYMHAPBK-NSHDSACASA-N 1 2 235.293 3.497 20 0 BGADLO CCC1(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000379457581 358489118 /nfs/dbraw/zinc/48/91/18/358489118.db2.gz WRJIVGFZVWCRMF-UHFFFAOYSA-N 1 2 219.332 3.263 20 0 BGADLO CC[C@H]([NH2+][C@H](C)CC(C)C)C(F)(F)F ZINC000379544859 359541574 /nfs/dbraw/zinc/54/15/74/359541574.db2.gz VEVPEHRAOYFMNH-BDAKNGLRSA-N 1 2 211.271 3.352 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)CC(C)C)C(F)(F)F ZINC000379544860 359541589 /nfs/dbraw/zinc/54/15/89/359541589.db2.gz VEVPEHRAOYFMNH-IUCAKERBSA-N 1 2 211.271 3.352 20 0 BGADLO CCC(CC)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000379570643 387588251 /nfs/dbraw/zinc/58/82/51/387588251.db2.gz GWOKCLYVYSYCDI-SECBINFHSA-N 1 2 209.255 3.106 20 0 BGADLO CCC(CC)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000379570644 387587065 /nfs/dbraw/zinc/58/70/65/387587065.db2.gz GWOKCLYVYSYCDI-VIFPVBQESA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@@H]([NH2+][C@@H](CC)C(F)(F)F)C1CC1 ZINC000379576383 359550368 /nfs/dbraw/zinc/55/03/68/359550368.db2.gz NUXGRQGXLDTLPB-BDAKNGLRSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H](CC)C(F)(F)F)C1CC1 ZINC000379576384 359550100 /nfs/dbraw/zinc/55/01/00/359550100.db2.gz NUXGRQGXLDTLPB-IUCAKERBSA-N 1 2 209.255 3.106 20 0 BGADLO CCC[C@@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000379580163 359552869 /nfs/dbraw/zinc/55/28/69/359552869.db2.gz YARPIOOZLQQOSP-BDAKNGLRSA-N 1 2 211.271 3.352 20 0 BGADLO CCC[C@H](C)[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000379580164 359552941 /nfs/dbraw/zinc/55/29/41/359552941.db2.gz YARPIOOZLQQOSP-IUCAKERBSA-N 1 2 211.271 3.352 20 0 BGADLO CC[C@H]([NH2+]C1CCCCC1)C(F)(F)F ZINC000379588907 359556409 /nfs/dbraw/zinc/55/64/09/359556409.db2.gz UNPAPLIMSJKNHB-VIFPVBQESA-N 1 2 209.255 3.250 20 0 BGADLO CCC[C@@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000379593533 359558041 /nfs/dbraw/zinc/55/80/41/359558041.db2.gz BVQAVRXGHWJDQD-APPZFPTMSA-N 1 2 209.255 3.106 20 0 BGADLO CCC[C@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000379593534 359558066 /nfs/dbraw/zinc/55/80/66/359558066.db2.gz BVQAVRXGHWJDQD-CBAPKCEASA-N 1 2 209.255 3.106 20 0 BGADLO CCC[C@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000379593535 359558721 /nfs/dbraw/zinc/55/87/21/359558721.db2.gz BVQAVRXGHWJDQD-IONNQARKSA-N 1 2 209.255 3.106 20 0 BGADLO CCC[C@@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000379593603 359558179 /nfs/dbraw/zinc/55/81/79/359558179.db2.gz BVQAVRXGHWJDQD-VXNVDRBHSA-N 1 2 209.255 3.106 20 0 BGADLO CCCC[C@H](CC)[NH2+][C@H](C)C(F)(F)F ZINC000379594951 359558361 /nfs/dbraw/zinc/55/83/61/359558361.db2.gz DEQYEHMZNUGFSG-BDAKNGLRSA-N 1 2 211.271 3.496 20 0 BGADLO CCCC[C@@H](CC)[NH2+][C@@H](C)C(F)(F)F ZINC000379594952 359558160 /nfs/dbraw/zinc/55/81/60/359558160.db2.gz DEQYEHMZNUGFSG-DTWKUNHWSA-N 1 2 211.271 3.496 20 0 BGADLO CCCC[C@H](CC)[NH2+][C@@H](C)C(F)(F)F ZINC000379594965 359558399 /nfs/dbraw/zinc/55/83/99/359558399.db2.gz DEQYEHMZNUGFSG-IUCAKERBSA-N 1 2 211.271 3.496 20 0 BGADLO CCCC[C@@H](CC)[NH2+][C@H](C)C(F)(F)F ZINC000379594968 359558374 /nfs/dbraw/zinc/55/83/74/359558374.db2.gz DEQYEHMZNUGFSG-RKDXNWHRSA-N 1 2 211.271 3.496 20 0 BGADLO CC[C@@H](C)C[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000379595348 359558601 /nfs/dbraw/zinc/55/86/01/359558601.db2.gz DMAYMDPBEZZCGZ-BDAKNGLRSA-N 1 2 211.271 3.209 20 0 BGADLO CC[C@H](C)C[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000379595349 359558035 /nfs/dbraw/zinc/55/80/35/359558035.db2.gz DMAYMDPBEZZCGZ-IUCAKERBSA-N 1 2 211.271 3.209 20 0 BGADLO CC[C@@](C)([NH2+]C[Si](C)(C)C)C(F)(F)F ZINC000379601552 712390264 /nfs/dbraw/zinc/39/02/64/712390264.db2.gz LYBUSQRQSLQUKN-MRVPVSSYSA-N 1 2 227.346 3.184 20 0 BGADLO CC[C@](C)([NH2+]C[Si](C)(C)C)C(F)(F)F ZINC000379601557 712390477 /nfs/dbraw/zinc/39/04/77/712390477.db2.gz LYBUSQRQSLQUKN-QMMMGPOBSA-N 1 2 227.346 3.184 20 0 BGADLO Cc1ccc(C[NH2+]C(C)(C)C(F)F)s1 ZINC000379660415 538455908 /nfs/dbraw/zinc/45/59/08/538455908.db2.gz PDJMIOMDEYUERM-UHFFFAOYSA-N 1 2 219.300 3.190 20 0 BGADLO Clc1cscc1C[NH2+]Cc1nccs1 ZINC000379662256 712391691 /nfs/dbraw/zinc/39/16/91/712391691.db2.gz RDTAFVMZYPEAMM-UHFFFAOYSA-N 1 2 244.772 3.148 20 0 BGADLO CCC[C@@H](CC)[NH2+][C@@H](CC)C(F)(F)F ZINC000379664288 359576193 /nfs/dbraw/zinc/57/61/93/359576193.db2.gz UNJLDHUQWGBPNK-BDAKNGLRSA-N 1 2 211.271 3.496 20 0 BGADLO CCC[C@H](CC)[NH2+][C@@H](CC)C(F)(F)F ZINC000379664289 359576410 /nfs/dbraw/zinc/57/64/10/359576410.db2.gz UNJLDHUQWGBPNK-IUCAKERBSA-N 1 2 211.271 3.496 20 0 BGADLO COc1ccc[nH+]c1NCC1=CCCCC1 ZINC000379750385 361490093 /nfs/dbraw/zinc/49/00/93/361490093.db2.gz KKNVHWFSGFWWFB-UHFFFAOYSA-N 1 2 218.300 3.003 20 0 BGADLO c1[nH]cc(NCCCC2CCCCC2)[nH+]1 ZINC000379824481 365283347 /nfs/dbraw/zinc/28/33/47/365283347.db2.gz VWFUBGXXOKIRTL-UHFFFAOYSA-N 1 2 207.321 3.182 20 0 BGADLO c1csc(CCCNc2cccc[nH+]2)c1 ZINC000379826558 365284124 /nfs/dbraw/zinc/28/41/24/365284124.db2.gz WYXXPGXJHULTAK-UHFFFAOYSA-N 1 2 218.325 3.188 20 0 BGADLO CC(C)C1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000379875552 538980815 /nfs/dbraw/zinc/98/08/15/538980815.db2.gz AACRUQCZXVTFAK-UHFFFAOYSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@H](CSC(C)(C)C)[NH2+]C1(C(F)F)CC1 ZINC000379875701 712620069 /nfs/dbraw/zinc/62/00/69/712620069.db2.gz ADARXUDCWHRPEL-MRVPVSSYSA-N 1 2 237.359 3.294 20 0 BGADLO C[C@@H](CSC(C)(C)C)[NH2+]C1(C(F)F)CC1 ZINC000379875713 712620152 /nfs/dbraw/zinc/62/01/52/712620152.db2.gz ADARXUDCWHRPEL-QMMMGPOBSA-N 1 2 237.359 3.294 20 0 BGADLO CC[C@H]([NH2+][C@H](C)C1CCCC1)C(F)(F)F ZINC000379913414 365653736 /nfs/dbraw/zinc/65/37/36/365653736.db2.gz ACXSYMLUDHWFPX-SCZZXKLOSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)C1CCCC1)C(F)(F)F ZINC000379913416 365653663 /nfs/dbraw/zinc/65/36/63/365653663.db2.gz ACXSYMLUDHWFPX-WPRPVWTQSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(F)(F)F ZINC000379915976 365683534 /nfs/dbraw/zinc/68/35/34/365683534.db2.gz CDSYISITBYGHRX-BDAKNGLRSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(F)(F)F ZINC000379915978 365683193 /nfs/dbraw/zinc/68/31/93/365683193.db2.gz CDSYISITBYGHRX-IUCAKERBSA-N 1 2 223.282 3.496 20 0 BGADLO CCC(CC)C[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000379919880 365735600 /nfs/dbraw/zinc/73/56/00/365735600.db2.gz GOVDWSPLOPGPNA-JTQLQIEISA-N 1 2 223.282 3.353 20 0 BGADLO CCC(CC)C[NH2+][C@H](C1CC1)C(F)(F)F ZINC000379919881 365735376 /nfs/dbraw/zinc/73/53/76/365735376.db2.gz GOVDWSPLOPGPNA-SNVBAGLBSA-N 1 2 223.282 3.353 20 0 BGADLO Cc1c[nH+]cc(NC[C@@H](C)C(C)(C)C)c1 ZINC000379921454 541459499 /nfs/dbraw/zinc/45/94/99/541459499.db2.gz RVSIZKORSSVTSN-LLVKDONJSA-N 1 2 206.333 3.484 20 0 BGADLO Cc1c[nH+]cc(NC[C@H](C)C(C)(C)C)c1 ZINC000379921457 538462270 /nfs/dbraw/zinc/46/22/70/538462270.db2.gz RVSIZKORSSVTSN-NSHDSACASA-N 1 2 206.333 3.484 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000379925248 365737070 /nfs/dbraw/zinc/73/70/70/365737070.db2.gz KWMMGZPESNZQKO-AEJSXWLSSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000379925250 365736712 /nfs/dbraw/zinc/73/67/12/365736712.db2.gz KWMMGZPESNZQKO-BBBLOLIVSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000379925251 365737208 /nfs/dbraw/zinc/73/72/08/365737208.db2.gz KWMMGZPESNZQKO-GUBZILKMSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000379925253 365736873 /nfs/dbraw/zinc/73/68/73/365736873.db2.gz KWMMGZPESNZQKO-UTLUCORTSA-N 1 2 223.282 3.496 20 0 BGADLO CCC1CC([NH2+][C@@H](C(C)C)C(F)(F)F)C1 ZINC000379931876 365744577 /nfs/dbraw/zinc/74/45/77/365744577.db2.gz PAHNVVUKQSPNJU-RTBKNWGFSA-N 1 2 223.282 3.352 20 0 BGADLO Cc1cccc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000379945942 538981893 /nfs/dbraw/zinc/98/18/93/538981893.db2.gz QSFYQBUXGYJLBZ-UHFFFAOYSA-N 1 2 213.271 3.128 20 0 BGADLO CCc1ccc(C[NH2+]C2(C(F)F)CC2)s1 ZINC000379947121 365757201 /nfs/dbraw/zinc/75/72/01/365757201.db2.gz RHXUEUSMVUITQR-UHFFFAOYSA-N 1 2 231.311 3.198 20 0 BGADLO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(F)(F)F ZINC000379949439 365760389 /nfs/dbraw/zinc/76/03/89/365760389.db2.gz DXLXPKPEFCPKLN-IMSYWVGJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(F)(F)F ZINC000379949447 365761169 /nfs/dbraw/zinc/76/11/69/365761169.db2.gz DXLXPKPEFCPKLN-KATARQTJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(F)(F)F ZINC000379949451 365761683 /nfs/dbraw/zinc/76/16/83/365761683.db2.gz DXLXPKPEFCPKLN-KYXWUPHJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(F)(F)F ZINC000379949458 365761085 /nfs/dbraw/zinc/76/10/85/365761085.db2.gz DXLXPKPEFCPKLN-RGOKHQFPSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)C(F)(F)F ZINC000379952670 538982806 /nfs/dbraw/zinc/98/28/06/538982806.db2.gz UJPLRLVPPYXMPN-AEJSXWLSSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)C(F)(F)F ZINC000379952671 538982790 /nfs/dbraw/zinc/98/27/90/538982790.db2.gz UJPLRLVPPYXMPN-BBBLOLIVSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)C(F)(F)F ZINC000379952673 538982916 /nfs/dbraw/zinc/98/29/16/538982916.db2.gz UJPLRLVPPYXMPN-GUBZILKMSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)C(F)(F)F ZINC000379952674 538982600 /nfs/dbraw/zinc/98/26/00/538982600.db2.gz UJPLRLVPPYXMPN-UTLUCORTSA-N 1 2 223.282 3.352 20 0 BGADLO Clc1cccc(Cl)c1CNc1c[nH]c[nH+]1 ZINC000379997337 541316034 /nfs/dbraw/zinc/31/60/34/541316034.db2.gz KHQKOGFQFMVJCA-UHFFFAOYSA-N 1 2 242.109 3.329 20 0 BGADLO CC[C@H]([NH2+]C[C@H]1CC=CCC1)C(F)(F)F ZINC000380003762 365795635 /nfs/dbraw/zinc/79/56/35/365795635.db2.gz OHHXISIZGCMWKM-UWVGGRQHSA-N 1 2 221.266 3.273 20 0 BGADLO CC[C@H]([NH2+]C[C@@H]1CC=CCC1)C(F)(F)F ZINC000380003767 365795585 /nfs/dbraw/zinc/79/55/85/365795585.db2.gz OHHXISIZGCMWKM-ZJUUUORDSA-N 1 2 221.266 3.273 20 0 BGADLO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C1CC1)C(F)(F)F ZINC000380017992 365808029 /nfs/dbraw/zinc/80/80/29/365808029.db2.gz VBNJOQZZGYASJU-FKTZTGRPSA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000380017998 365808148 /nfs/dbraw/zinc/80/81/48/365808148.db2.gz VBNJOQZZGYASJU-JEZHCXPESA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000380018007 365809202 /nfs/dbraw/zinc/80/92/02/365809202.db2.gz VBNJOQZZGYASJU-QNSHHTMESA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@@H]1CC[C@H]1[NH2+][C@H](C1CC1)C(F)(F)F ZINC000380018012 365808917 /nfs/dbraw/zinc/80/89/17/365808917.db2.gz VBNJOQZZGYASJU-SZEHBUNVSA-N 1 2 221.266 3.106 20 0 BGADLO CC(C)=CCCNc1[nH+]ccc(C)c1Cl ZINC000380026565 365813140 /nfs/dbraw/zinc/81/31/40/365813140.db2.gz PFUJKYPJNPKXKT-UHFFFAOYSA-N 1 2 224.735 3.234 20 0 BGADLO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000380029716 365814536 /nfs/dbraw/zinc/81/45/36/365814536.db2.gz PXLVPFKVHXBVEB-BBBLOLIVSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000380029724 365815365 /nfs/dbraw/zinc/81/53/65/365815365.db2.gz PXLVPFKVHXBVEB-KXUCPTDWSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000380029728 342967440 /nfs/dbraw/zinc/96/74/40/342967440.db2.gz PXLVPFKVHXBVEB-OPRDCNLKSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000380029732 365814692 /nfs/dbraw/zinc/81/46/92/365814692.db2.gz PXLVPFKVHXBVEB-UTLUCORTSA-N 1 2 223.282 3.353 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NCCCCF ZINC000380054509 398182551 /nfs/dbraw/zinc/18/25/51/398182551.db2.gz WIMJZZUSQUKKNS-UHFFFAOYSA-N 1 2 232.302 3.127 20 0 BGADLO C[C@@H]([NH2+]CC1CCCCCC1)C(F)(F)F ZINC000380090438 365875658 /nfs/dbraw/zinc/87/56/58/365875658.db2.gz ITBVPXXHWZAWLM-SECBINFHSA-N 1 2 223.282 3.497 20 0 BGADLO C[C@H]([NH2+]CC1CCCCCC1)C(F)(F)F ZINC000380090440 365875391 /nfs/dbraw/zinc/87/53/91/365875391.db2.gz ITBVPXXHWZAWLM-VIFPVBQESA-N 1 2 223.282 3.497 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)CCC2CC2)c1 ZINC000380108856 365885111 /nfs/dbraw/zinc/88/51/11/365885111.db2.gz NQACDXBARRRJTO-LLVKDONJSA-N 1 2 204.317 3.381 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)CCC2CC2)c1 ZINC000380108863 365884827 /nfs/dbraw/zinc/88/48/27/365884827.db2.gz NQACDXBARRRJTO-NSHDSACASA-N 1 2 204.317 3.381 20 0 BGADLO CC(C)[C@@H]1CCC[C@@H](Nc2c[nH]c[nH+]2)C1 ZINC000380119504 343681238 /nfs/dbraw/zinc/68/12/38/343681238.db2.gz QBHLGDLODRVMQX-GHMZBOCLSA-N 1 2 207.321 3.036 20 0 BGADLO CC(C)[C@@H]1CCC[C@H](Nc2c[nH]c[nH+]2)C1 ZINC000380119506 343681415 /nfs/dbraw/zinc/68/14/15/343681415.db2.gz QBHLGDLODRVMQX-MNOVXSKESA-N 1 2 207.321 3.036 20 0 BGADLO CC(C)[C@H]1CCC[C@H](Nc2c[nH]c[nH+]2)C1 ZINC000380119508 343681281 /nfs/dbraw/zinc/68/12/81/343681281.db2.gz QBHLGDLODRVMQX-QWRGUYRKSA-N 1 2 207.321 3.036 20 0 BGADLO CC(C)[C@H]1CCC[C@@H](Nc2c[nH]c[nH+]2)C1 ZINC000380119531 343681398 /nfs/dbraw/zinc/68/13/98/343681398.db2.gz QBHLGDLODRVMQX-WDEREUQCSA-N 1 2 207.321 3.036 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]CC(F)F)ccc1F ZINC000380125716 488175267 /nfs/dbraw/zinc/17/52/67/488175267.db2.gz RSRLPJQKOCNHBN-MRVPVSSYSA-N 1 2 217.234 3.050 20 0 BGADLO Cc1cc([C@H](C)[NH2+]CC(F)F)ccc1F ZINC000380125735 538465237 /nfs/dbraw/zinc/46/52/37/538465237.db2.gz RSRLPJQKOCNHBN-QMMMGPOBSA-N 1 2 217.234 3.050 20 0 BGADLO C[C@@H]([NH2+]Cc1cocn1)c1csc(Cl)c1 ZINC000380133903 566447744 /nfs/dbraw/zinc/44/77/44/566447744.db2.gz UEGCXODUUSRRDW-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H]([NH2+]Cc1cocn1)c1csc(Cl)c1 ZINC000380133904 566447631 /nfs/dbraw/zinc/44/76/31/566447631.db2.gz UEGCXODUUSRRDW-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccoc1 ZINC000380149264 538986533 /nfs/dbraw/zinc/98/65/33/538986533.db2.gz XIZOFSKNHCXHCI-WCBMZHEXSA-N 1 2 215.243 3.118 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccoc1 ZINC000380149271 538986177 /nfs/dbraw/zinc/98/61/77/538986177.db2.gz XIZOFSKNHCXHCI-WPRPVWTQSA-N 1 2 215.243 3.118 20 0 BGADLO CC(C)([NH2+]Cc1cccc(Cl)c1)C(F)F ZINC000380155289 538986542 /nfs/dbraw/zinc/98/65/42/538986542.db2.gz YVQGWEPXDOMJKH-UHFFFAOYSA-N 1 2 233.689 3.473 20 0 BGADLO CCC1(C)CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000380160691 345930012 /nfs/dbraw/zinc/93/00/12/345930012.db2.gz BDEJDSCDFNWQCL-UHFFFAOYSA-N 1 2 207.321 3.181 20 0 BGADLO CC[C@H](C)[C@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000380170951 347181216 /nfs/dbraw/zinc/18/12/16/347181216.db2.gz HJEOMVMILPGIFA-NRPADANISA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H](C)[C@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000380170953 347180931 /nfs/dbraw/zinc/18/09/31/347180931.db2.gz HJEOMVMILPGIFA-OYNCUSHFSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H](C)[C@@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000380170965 347181266 /nfs/dbraw/zinc/18/12/66/347181266.db2.gz HJEOMVMILPGIFA-QXFUBDJGSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000380170968 347178811 /nfs/dbraw/zinc/17/88/11/347178811.db2.gz HJEOMVMILPGIFA-XKSSXDPKSA-N 1 2 223.282 3.352 20 0 BGADLO COc1cc(C)ccc1[NH2+]C[C@H]1C[C@H]1C ZINC000380179775 343523168 /nfs/dbraw/zinc/52/31/68/343523168.db2.gz FXZJHIZQRQTVRY-GHMZBOCLSA-N 1 2 205.301 3.072 20 0 BGADLO COc1cc(C)ccc1[NH2+]C[C@@H]1C[C@H]1C ZINC000380179786 343524789 /nfs/dbraw/zinc/52/47/89/343524789.db2.gz FXZJHIZQRQTVRY-MNOVXSKESA-N 1 2 205.301 3.072 20 0 BGADLO COc1cc(C)ccc1[NH2+]C[C@@H]1C[C@@H]1C ZINC000380179803 343540684 /nfs/dbraw/zinc/54/06/84/343540684.db2.gz FXZJHIZQRQTVRY-QWRGUYRKSA-N 1 2 205.301 3.072 20 0 BGADLO COc1cc(C)ccc1[NH2+]C[C@H]1C[C@@H]1C ZINC000380179808 490148412 /nfs/dbraw/zinc/14/84/12/490148412.db2.gz FXZJHIZQRQTVRY-WDEREUQCSA-N 1 2 205.301 3.072 20 0 BGADLO CSc1ccccc1[C@@H](C)[NH2+]CC(F)F ZINC000380181930 488177504 /nfs/dbraw/zinc/17/75/04/488177504.db2.gz GEAUKPZALWFJMI-MRVPVSSYSA-N 1 2 231.311 3.324 20 0 BGADLO COc1cc(C)ccc1[NH2+]CC1(C)CC1 ZINC000380182537 538987166 /nfs/dbraw/zinc/98/71/66/538987166.db2.gz GHRGTTUFKMHQQN-UHFFFAOYSA-N 1 2 205.301 3.216 20 0 BGADLO CC[C@@](C)([NH2+]CCCCCF)C(F)(F)F ZINC000380184499 344708917 /nfs/dbraw/zinc/70/89/17/344708917.db2.gz MTEAQNBZNNARLF-SECBINFHSA-N 1 2 229.261 3.447 20 0 BGADLO CC[C@](C)([NH2+]CCCCCF)C(F)(F)F ZINC000380184500 346123793 /nfs/dbraw/zinc/12/37/93/346123793.db2.gz MTEAQNBZNNARLF-VIFPVBQESA-N 1 2 229.261 3.447 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCC23CCC3)c1 ZINC000380194945 487617189 /nfs/dbraw/zinc/61/71/89/487617189.db2.gz QJTPNNZNBBYIMO-GFCCVEGCSA-N 1 2 202.301 3.135 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCC23CCC3)c1 ZINC000380194953 488178191 /nfs/dbraw/zinc/17/81/91/488178191.db2.gz QJTPNNZNBBYIMO-LBPRGKRZSA-N 1 2 202.301 3.135 20 0 BGADLO Clc1ccc(C[NH2+]Cc2ccc(Cl)o2)o1 ZINC000380198928 343693014 /nfs/dbraw/zinc/69/30/14/343693014.db2.gz RZEVEXDSKIHQTP-UHFFFAOYSA-N 1 2 246.093 3.469 20 0 BGADLO CC(C)([NH2+]Cc1ccc(Cl)cc1)C(F)F ZINC000380223293 538987492 /nfs/dbraw/zinc/98/74/92/538987492.db2.gz JTRBVXUGWISICY-UHFFFAOYSA-N 1 2 233.689 3.473 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1CCC1(C)C)C(F)(F)F ZINC000380231967 367157002 /nfs/dbraw/zinc/15/70/02/367157002.db2.gz LNUFBTFEZAWFQN-BDAKNGLRSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1CCC1(C)C)C(F)(F)F ZINC000380231969 367157864 /nfs/dbraw/zinc/15/78/64/367157864.db2.gz LNUFBTFEZAWFQN-IUCAKERBSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+]C1CC(C)(C)C1)C(F)(F)F ZINC000380256651 344734074 /nfs/dbraw/zinc/73/40/74/344734074.db2.gz QOCJQIOEBFNDFG-VIFPVBQESA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H](Nc1ncc(Cl)s1)c1[nH]cc[nH+]1 ZINC000380265211 537937430 /nfs/dbraw/zinc/93/74/30/537937430.db2.gz TVALLCGSBSDTDN-LURJTMIESA-N 1 2 242.735 3.083 20 0 BGADLO CC[C@@H](Nc1ncc(Cl)s1)c1[nH]cc[nH+]1 ZINC000380265212 538988039 /nfs/dbraw/zinc/98/80/39/538988039.db2.gz TVALLCGSBSDTDN-ZCFIWIBFSA-N 1 2 242.735 3.083 20 0 BGADLO CSc1ccccc1[C@H](C)[NH2+]CC(F)F ZINC000380307946 538988703 /nfs/dbraw/zinc/98/87/03/538988703.db2.gz GEAUKPZALWFJMI-QMMMGPOBSA-N 1 2 231.311 3.324 20 0 BGADLO CSCCC[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000380322125 346407596 /nfs/dbraw/zinc/40/75/96/346407596.db2.gz KRHXRCATNFPDSM-MRVPVSSYSA-N 1 2 243.338 3.306 20 0 BGADLO CSCCC[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000380322128 346407392 /nfs/dbraw/zinc/40/73/92/346407392.db2.gz KRHXRCATNFPDSM-QMMMGPOBSA-N 1 2 243.338 3.306 20 0 BGADLO CCC[C@@H](CC)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000380332363 367182101 /nfs/dbraw/zinc/18/21/01/367182101.db2.gz ORNGJQOUKUPAOQ-NXEZZACHSA-N 1 2 223.282 3.496 20 0 BGADLO CCC[C@H](CC)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000380332369 367183077 /nfs/dbraw/zinc/18/30/77/367183077.db2.gz ORNGJQOUKUPAOQ-UWVGGRQHSA-N 1 2 223.282 3.496 20 0 BGADLO CCC[C@H](CC)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000380332371 367182201 /nfs/dbraw/zinc/18/22/01/367182201.db2.gz ORNGJQOUKUPAOQ-VHSXEESVSA-N 1 2 223.282 3.496 20 0 BGADLO CCC[C@@H](CC)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000380332373 367182356 /nfs/dbraw/zinc/18/23/56/367182356.db2.gz ORNGJQOUKUPAOQ-ZJUUUORDSA-N 1 2 223.282 3.496 20 0 BGADLO CC(C)(C)[C@@H]([NH2+]CCCCF)C(F)(F)F ZINC000380339640 384316112 /nfs/dbraw/zinc/31/61/12/384316112.db2.gz RGKVEVQZSPCUSB-MRVPVSSYSA-N 1 2 229.261 3.303 20 0 BGADLO CC(C)(C)[C@H]([NH2+]CCCCF)C(F)(F)F ZINC000380339641 346901234 /nfs/dbraw/zinc/90/12/34/346901234.db2.gz RGKVEVQZSPCUSB-QMMMGPOBSA-N 1 2 229.261 3.303 20 0 BGADLO CC[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000380359909 367191829 /nfs/dbraw/zinc/19/18/29/367191829.db2.gz XXPOIQMVJMKWEG-HAQNSBGRSA-N 1 2 204.317 3.462 20 0 BGADLO CC(C)([NH2+]Cc1cc(F)cc(F)c1)C(F)F ZINC000381033598 538994521 /nfs/dbraw/zinc/99/45/21/538994521.db2.gz CFFBEBIZZYHPBX-UHFFFAOYSA-N 1 2 235.224 3.098 20 0 BGADLO COc1ccc[nH+]c1NCc1csc(C)c1 ZINC000381121374 343987467 /nfs/dbraw/zinc/98/74/67/343987467.db2.gz FFKJNKNVDSPWDX-UHFFFAOYSA-N 1 2 234.324 3.072 20 0 BGADLO c1[nH+]c2c(cc1NC1CCCC1)CCCC2 ZINC000381122702 367353062 /nfs/dbraw/zinc/35/30/62/367353062.db2.gz IXIHJAZYWPXBEP-UHFFFAOYSA-N 1 2 216.328 3.315 20 0 BGADLO C[C@H](Cc1ccc(Cl)cc1)Nc1c[nH]c[nH+]1 ZINC000381149405 538995259 /nfs/dbraw/zinc/99/52/59/538995259.db2.gz AGKWADAMOGAZIL-SECBINFHSA-N 1 2 235.718 3.106 20 0 BGADLO C[C@@H](Cc1ccc(Cl)cc1)Nc1c[nH]c[nH+]1 ZINC000381149406 538995141 /nfs/dbraw/zinc/99/51/41/538995141.db2.gz AGKWADAMOGAZIL-VIFPVBQESA-N 1 2 235.718 3.106 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]C2(C(F)F)CC2)cc1 ZINC000381196252 344173349 /nfs/dbraw/zinc/17/33/49/344173349.db2.gz BETUFLKPWDHMBU-JTQLQIEISA-N 1 2 225.282 3.443 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]C2(C(F)F)CC2)cc1 ZINC000381196255 344173159 /nfs/dbraw/zinc/17/31/59/344173159.db2.gz BETUFLKPWDHMBU-SNVBAGLBSA-N 1 2 225.282 3.443 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2ccc(Cl)o2)no1 ZINC000381205490 487501247 /nfs/dbraw/zinc/50/12/47/487501247.db2.gz GDDUSHYCROKWTA-MRVPVSSYSA-N 1 2 240.690 3.080 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2ccc(Cl)o2)no1 ZINC000381205491 487501126 /nfs/dbraw/zinc/50/11/26/487501126.db2.gz GDDUSHYCROKWTA-QMMMGPOBSA-N 1 2 240.690 3.080 20 0 BGADLO C[C@@H](Nc1c[nH]c[nH+]1)[C@@H](C)C1CCCCC1 ZINC000381223436 344214226 /nfs/dbraw/zinc/21/42/26/344214226.db2.gz JFUWSBAHRMYJTG-GHMZBOCLSA-N 1 2 221.348 3.427 20 0 BGADLO C[C@H](Nc1c[nH]c[nH+]1)[C@@H](C)C1CCCCC1 ZINC000381223442 367366543 /nfs/dbraw/zinc/36/65/43/367366543.db2.gz JFUWSBAHRMYJTG-MNOVXSKESA-N 1 2 221.348 3.427 20 0 BGADLO C[C@@H]([C@H](C)Nc1c[nH]c[nH+]1)C1CCCCC1 ZINC000381223443 367366844 /nfs/dbraw/zinc/36/68/44/367366844.db2.gz JFUWSBAHRMYJTG-QWRGUYRKSA-N 1 2 221.348 3.427 20 0 BGADLO C[C@@H](Nc1c[nH]c[nH+]1)[C@H](C)C1CCCCC1 ZINC000381223444 367366471 /nfs/dbraw/zinc/36/64/71/367366471.db2.gz JFUWSBAHRMYJTG-WDEREUQCSA-N 1 2 221.348 3.427 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccsc2)no1 ZINC000381264177 487502388 /nfs/dbraw/zinc/50/23/88/487502388.db2.gz SYCKSCQFCQOYIO-NXEZZACHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)no1 ZINC000381264178 487502046 /nfs/dbraw/zinc/50/20/46/487502046.db2.gz SYCKSCQFCQOYIO-VHSXEESVSA-N 1 2 236.340 3.456 20 0 BGADLO C[NH+](C)c1ccc(NC2CC(C)(C)C2)cc1 ZINC000381292334 710617436 /nfs/dbraw/zinc/61/74/36/710617436.db2.gz DSKWVEZMWRDOEY-UHFFFAOYSA-N 1 2 218.344 3.353 20 0 BGADLO CN(C)c1ccc([NH2+]C2CC(C)(C)C2)cc1 ZINC000381292334 710617435 /nfs/dbraw/zinc/61/74/35/710617435.db2.gz DSKWVEZMWRDOEY-UHFFFAOYSA-N 1 2 218.344 3.353 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)[C@@H]1CCCO1 ZINC000381295136 710616778 /nfs/dbraw/zinc/61/67/78/710616778.db2.gz YPRWWKVNVIRFBS-DOMZBBRYSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)[C@H]1CCCO1 ZINC000381295138 710617514 /nfs/dbraw/zinc/61/75/14/710617514.db2.gz YPRWWKVNVIRFBS-IUODEOHRSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)[C@H]1CCCO1 ZINC000381295140 710617811 /nfs/dbraw/zinc/61/78/11/710617811.db2.gz YPRWWKVNVIRFBS-SWLSCSKDSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)[C@@H]1CCCO1 ZINC000381295143 710617721 /nfs/dbraw/zinc/61/77/21/710617721.db2.gz YPRWWKVNVIRFBS-WFASDCNBSA-N 1 2 248.370 3.040 20 0 BGADLO C[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)C1CCCC1 ZINC000381296366 367376118 /nfs/dbraw/zinc/37/61/18/367376118.db2.gz GONXGFPBQGIYSM-GZMMTYOYSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H]([NH2+][C@@H](C1CC1)C(F)(F)F)C1CCCC1 ZINC000381296367 367375691 /nfs/dbraw/zinc/37/56/91/367375691.db2.gz GONXGFPBQGIYSM-KCJUWKMLSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@H]([NH2+][C@@H](C1CC1)C(F)(F)F)C1CCCC1 ZINC000381296369 367376001 /nfs/dbraw/zinc/37/60/01/367376001.db2.gz GONXGFPBQGIYSM-KWQFWETISA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H]([NH2+][C@H](C1CC1)C(F)(F)F)C1CCCC1 ZINC000381296370 345261213 /nfs/dbraw/zinc/26/12/13/345261213.db2.gz GONXGFPBQGIYSM-LDYMZIIASA-N 1 2 235.293 3.496 20 0 BGADLO CC1(CNc2c[nH+]c3c(c2)CCCC3)CC1 ZINC000381304588 367376982 /nfs/dbraw/zinc/37/69/82/367376982.db2.gz ISSQPKLVNNKHSX-UHFFFAOYSA-N 1 2 216.328 3.172 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCC1(C)CC1 ZINC000381333069 711819863 /nfs/dbraw/zinc/81/98/63/711819863.db2.gz UPPVWBATBYNXOQ-UHFFFAOYSA-N 1 2 218.344 3.273 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+]CC1(C)CC1 ZINC000381333069 711819861 /nfs/dbraw/zinc/81/98/61/711819861.db2.gz UPPVWBATBYNXOQ-UHFFFAOYSA-N 1 2 218.344 3.273 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C(F)(F)F ZINC000381348272 345433675 /nfs/dbraw/zinc/43/36/75/345433675.db2.gz ZSEGTASJOUJDEX-AXFHLTTASA-N 1 2 235.293 3.496 20 0 BGADLO CC[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C(F)(F)F ZINC000381348273 345433411 /nfs/dbraw/zinc/43/34/11/345433411.db2.gz ZSEGTASJOUJDEX-DCAQKATOSA-N 1 2 235.293 3.496 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C(F)(F)F ZINC000381348274 345433447 /nfs/dbraw/zinc/43/34/47/345433447.db2.gz ZSEGTASJOUJDEX-MXWKQRLJSA-N 1 2 235.293 3.496 20 0 BGADLO CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C(F)(F)F ZINC000381348275 345433624 /nfs/dbraw/zinc/43/36/24/345433624.db2.gz ZSEGTASJOUJDEX-VWYCJHECSA-N 1 2 235.293 3.496 20 0 BGADLO COc1ccsc1C[NH2+][C@H]1CCCC1(F)F ZINC000381353870 538998793 /nfs/dbraw/zinc/99/87/93/538998793.db2.gz CNQJGYGIINCKKV-JTQLQIEISA-N 1 2 247.310 3.034 20 0 BGADLO COc1ccsc1C[NH2+][C@@H]1CCCC1(F)F ZINC000381353871 538998926 /nfs/dbraw/zinc/99/89/26/538998926.db2.gz CNQJGYGIINCKKV-SNVBAGLBSA-N 1 2 247.310 3.034 20 0 BGADLO C[C@@H](CCC1CC1)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000381360053 367388141 /nfs/dbraw/zinc/38/81/41/367388141.db2.gz CXSKUWHGYPASGQ-GZMMTYOYSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@H](CCC1CC1)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000381360058 367387851 /nfs/dbraw/zinc/38/78/51/367387851.db2.gz CXSKUWHGYPASGQ-KCJUWKMLSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H](CCC1CC1)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000381360059 367387541 /nfs/dbraw/zinc/38/75/41/367387541.db2.gz CXSKUWHGYPASGQ-KWQFWETISA-N 1 2 235.293 3.496 20 0 BGADLO C[C@H](CCC1CC1)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000381360067 367387679 /nfs/dbraw/zinc/38/76/79/367387679.db2.gz CXSKUWHGYPASGQ-LDYMZIIASA-N 1 2 235.293 3.496 20 0 BGADLO Cc1cc(C[NH2+]C(C)(C)C(F)F)ccc1F ZINC000381364125 538999067 /nfs/dbraw/zinc/99/90/67/538999067.db2.gz GIVSFKBOPUWMPS-UHFFFAOYSA-N 1 2 231.261 3.267 20 0 BGADLO COc1cc(SC)ccc1[NH2+]C[C@H]1C[C@H]1C ZINC000381369854 345584687 /nfs/dbraw/zinc/58/46/87/345584687.db2.gz HYGPYYLQJSVLTI-NXEZZACHSA-N 1 2 237.368 3.485 20 0 BGADLO COc1cc(SC)ccc1[NH2+]C[C@@H]1C[C@@H]1C ZINC000381369855 345584773 /nfs/dbraw/zinc/58/47/73/345584773.db2.gz HYGPYYLQJSVLTI-UWVGGRQHSA-N 1 2 237.368 3.485 20 0 BGADLO COc1cc(SC)ccc1[NH2+]C[C@H]1C[C@@H]1C ZINC000381369858 345584604 /nfs/dbraw/zinc/58/46/04/345584604.db2.gz HYGPYYLQJSVLTI-VHSXEESVSA-N 1 2 237.368 3.485 20 0 BGADLO COc1cc(SC)ccc1[NH2+]C[C@@H]1C[C@H]1C ZINC000381369861 345584869 /nfs/dbraw/zinc/58/48/69/345584869.db2.gz HYGPYYLQJSVLTI-ZJUUUORDSA-N 1 2 237.368 3.485 20 0 BGADLO COc1ccc[nH+]c1NC[C@H](C)CC(C)C ZINC000381370489 367388641 /nfs/dbraw/zinc/38/86/41/367388641.db2.gz ICSCMJGEKNYZAJ-LLVKDONJSA-N 1 2 222.332 3.184 20 0 BGADLO COc1ccc[nH+]c1NC[C@@H](C)CC(C)C ZINC000381370490 367388725 /nfs/dbraw/zinc/38/87/25/367388725.db2.gz ICSCMJGEKNYZAJ-NSHDSACASA-N 1 2 222.332 3.184 20 0 BGADLO Cc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1 ZINC000381382846 538999996 /nfs/dbraw/zinc/99/99/96/538999996.db2.gz LSZZCLUZJFDXCY-GFCCVEGCSA-N 1 2 225.282 3.272 20 0 BGADLO Cc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1 ZINC000381382847 538999987 /nfs/dbraw/zinc/99/99/87/538999987.db2.gz LSZZCLUZJFDXCY-LBPRGKRZSA-N 1 2 225.282 3.272 20 0 BGADLO Cc1ncsc1C[NH2+]C1(C(F)F)CCCC1 ZINC000381384234 538999912 /nfs/dbraw/zinc/99/99/12/538999912.db2.gz MDASLTVUGFOTMT-UHFFFAOYSA-N 1 2 246.326 3.119 20 0 BGADLO Cc1cc(CNc2cccc[nH+]2)cc(Cl)n1 ZINC000381387585 710630708 /nfs/dbraw/zinc/63/07/08/710630708.db2.gz NBRYIPSOQFLWRA-UHFFFAOYSA-N 1 2 233.702 3.051 20 0 BGADLO Cc1cccc(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000381389686 539000016 /nfs/dbraw/zinc/00/00/16/539000016.db2.gz NSIDVIQQPIDZHZ-GFCCVEGCSA-N 1 2 225.282 3.272 20 0 BGADLO Cc1cccc(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000381389687 538999980 /nfs/dbraw/zinc/99/99/80/538999980.db2.gz NSIDVIQQPIDZHZ-LBPRGKRZSA-N 1 2 225.282 3.272 20 0 BGADLO Cc1ccc(C)c(C[NH2+]C(C)(C)C(F)F)c1 ZINC000381414270 539000352 /nfs/dbraw/zinc/00/03/52/539000352.db2.gz VNJUFHZQXRUBEO-UHFFFAOYSA-N 1 2 227.298 3.437 20 0 BGADLO Cc1ccc(C[NH2+]C2(C(F)F)CCCC2)o1 ZINC000381428280 539000428 /nfs/dbraw/zinc/00/04/28/539000428.db2.gz ZQPDBPBFLKBHHM-UHFFFAOYSA-N 1 2 229.270 3.256 20 0 BGADLO CC1=CCC[C@@H](C)[C@@H]1CNc1cccc[nH+]1 ZINC000381435328 345885093 /nfs/dbraw/zinc/88/50/93/345885093.db2.gz XSUFMHQPYMQHRS-CHWSQXEVSA-N 1 2 216.328 3.486 20 0 BGADLO CC1=CCC[C@@H](C)[C@H]1CNc1cccc[nH+]1 ZINC000381435329 345884896 /nfs/dbraw/zinc/88/48/96/345884896.db2.gz XSUFMHQPYMQHRS-OLZOCXBDSA-N 1 2 216.328 3.486 20 0 BGADLO CC1=CCC[C@H](C)[C@@H]1CNc1cccc[nH+]1 ZINC000381435332 367403139 /nfs/dbraw/zinc/40/31/39/367403139.db2.gz XSUFMHQPYMQHRS-QWHCGFSZSA-N 1 2 216.328 3.486 20 0 BGADLO CC1=CCC[C@H](C)[C@H]1CNc1cccc[nH+]1 ZINC000381435335 367403224 /nfs/dbraw/zinc/40/32/24/367403224.db2.gz XSUFMHQPYMQHRS-STQMWFEESA-N 1 2 216.328 3.486 20 0 BGADLO CC(C)(C)C1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000381446972 344507064 /nfs/dbraw/zinc/50/70/64/344507064.db2.gz FXSFAPKELQPRGP-UHFFFAOYSA-N 1 2 221.348 3.427 20 0 BGADLO C[C@@H]([NH2+]CC(F)F)c1ccc2ncsc2c1 ZINC000381450656 539000684 /nfs/dbraw/zinc/00/06/84/539000684.db2.gz HIKWAAFQSATUGN-SSDOTTSWSA-N 1 2 242.294 3.212 20 0 BGADLO C[C@H]([NH2+]CC(F)F)c1ccc2ncsc2c1 ZINC000381450657 539000828 /nfs/dbraw/zinc/00/08/28/539000828.db2.gz HIKWAAFQSATUGN-ZETCQYMHSA-N 1 2 242.294 3.212 20 0 BGADLO CC(C)[C@@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000381457403 345940619 /nfs/dbraw/zinc/94/06/19/345940619.db2.gz IWHGYNBJGOVKFX-LLVKDONJSA-N 1 2 218.344 3.417 20 0 BGADLO CC(C)[C@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000381457409 367409431 /nfs/dbraw/zinc/40/94/31/367409431.db2.gz IWHGYNBJGOVKFX-NSHDSACASA-N 1 2 218.344 3.417 20 0 BGADLO Cc1cc(NC[C@H]2C[C@@H]2C)ccc1[NH+](C)C ZINC000381468907 710641661 /nfs/dbraw/zinc/64/16/61/710641661.db2.gz NNFNIVCBIBRIIW-CMPLNLGQSA-N 1 2 218.344 3.129 20 0 BGADLO Cc1cc(NC[C@@H]2C[C@@H]2C)ccc1[NH+](C)C ZINC000381468911 710641384 /nfs/dbraw/zinc/64/13/84/710641384.db2.gz NNFNIVCBIBRIIW-JQWIXIFHSA-N 1 2 218.344 3.129 20 0 BGADLO Cc1cc(NC[C@@H]2C[C@H]2C)ccc1[NH+](C)C ZINC000381468912 710641411 /nfs/dbraw/zinc/64/14/11/710641411.db2.gz NNFNIVCBIBRIIW-PWSUYJOCSA-N 1 2 218.344 3.129 20 0 BGADLO Cc1cc(NC[C@H]2C[C@H]2C)ccc1[NH+](C)C ZINC000381468913 710641557 /nfs/dbraw/zinc/64/15/57/710641557.db2.gz NNFNIVCBIBRIIW-ZYHUDNBSSA-N 1 2 218.344 3.129 20 0 BGADLO CC(C)([NH2+]Cc1ccc(F)c(F)c1)C(F)F ZINC000381473438 539001796 /nfs/dbraw/zinc/00/17/96/539001796.db2.gz NKVWSFSUCRAXAF-UHFFFAOYSA-N 1 2 235.224 3.098 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)F)C1CCC(F)(F)CC1 ZINC000381475621 539001551 /nfs/dbraw/zinc/00/15/51/539001551.db2.gz QLLOVKJLIULQKM-ZETCQYMHSA-N 1 2 245.235 3.352 20 0 BGADLO Fc1ccccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000381496040 539002367 /nfs/dbraw/zinc/00/23/67/539002367.db2.gz BGDHNPHBFPUSHE-LLVKDONJSA-N 1 2 229.245 3.103 20 0 BGADLO Fc1ccccc1C[NH2+][C@H]1CCCC1(F)F ZINC000381496041 539002306 /nfs/dbraw/zinc/00/23/06/539002306.db2.gz BGDHNPHBFPUSHE-NSHDSACASA-N 1 2 229.245 3.103 20 0 BGADLO c1[nH]cc(NCc2csc3ccccc23)[nH+]1 ZINC000381512809 539002885 /nfs/dbraw/zinc/00/28/85/539002885.db2.gz RNKHPSRVWBVYDZ-UHFFFAOYSA-N 1 2 229.308 3.237 20 0 BGADLO CC[C@H]1CCC[C@H]1Nc1ccc(OC)c[nH+]1 ZINC000381516778 539002614 /nfs/dbraw/zinc/00/26/14/539002614.db2.gz RHLOVRPKQAOMQR-CMPLNLGQSA-N 1 2 220.316 3.081 20 0 BGADLO CC[C@H]1CCC[C@@H]1Nc1ccc(OC)c[nH+]1 ZINC000381516781 539002944 /nfs/dbraw/zinc/00/29/44/539002944.db2.gz RHLOVRPKQAOMQR-JQWIXIFHSA-N 1 2 220.316 3.081 20 0 BGADLO CC[C@@H]1CCC[C@@H]1Nc1ccc(OC)c[nH+]1 ZINC000381516782 539002629 /nfs/dbraw/zinc/00/26/29/539002629.db2.gz RHLOVRPKQAOMQR-PWSUYJOCSA-N 1 2 220.316 3.081 20 0 BGADLO CC[C@@H]1CCC[C@H]1Nc1ccc(OC)c[nH+]1 ZINC000381516789 539002652 /nfs/dbraw/zinc/00/26/52/539002652.db2.gz RHLOVRPKQAOMQR-ZYHUDNBSSA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@@H](C)CC2CCC2)[nH+]c1 ZINC000381534399 539003475 /nfs/dbraw/zinc/00/34/75/539003475.db2.gz DRIPJFQPQPFVOQ-JTQLQIEISA-N 1 2 220.316 3.081 20 0 BGADLO COc1ccc(N[C@H](C)CC2CCC2)[nH+]c1 ZINC000381534400 539003041 /nfs/dbraw/zinc/00/30/41/539003041.db2.gz DRIPJFQPQPFVOQ-SNVBAGLBSA-N 1 2 220.316 3.081 20 0 BGADLO Cc1cc(Cl)cc(C)c1CNc1c[nH]c[nH+]1 ZINC000381551524 346331399 /nfs/dbraw/zinc/33/13/99/346331399.db2.gz MWNNTAYJGKIEKV-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO CCSc1cccc(CNc2c[nH]c[nH+]2)c1 ZINC000381564578 346359856 /nfs/dbraw/zinc/35/98/56/346359856.db2.gz SSCRVJMSTFUYAU-UHFFFAOYSA-N 1 2 233.340 3.134 20 0 BGADLO Cc1cc[nH+]c(NCC[C@H]2CCCO2)c1Cl ZINC000381565205 538111163 /nfs/dbraw/zinc/11/11/63/538111163.db2.gz SZLWQAPGGYEYGE-SNVBAGLBSA-N 1 2 240.734 3.024 20 0 BGADLO Cc1ccc(F)c(C[NH2+]C(C)(C)C(F)F)c1 ZINC000381579473 538111262 /nfs/dbraw/zinc/11/12/62/538111262.db2.gz DUSDKRLTJWVFJT-UHFFFAOYSA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@](C)([NH2+]CCCCCOC)C(F)(F)F ZINC000381585623 367433095 /nfs/dbraw/zinc/43/30/95/367433095.db2.gz HKLDVERHWXOIBS-JTQLQIEISA-N 1 2 241.297 3.124 20 0 BGADLO CC[C@@](C)([NH2+]CCCCCOC)C(F)(F)F ZINC000381585624 367432937 /nfs/dbraw/zinc/43/29/37/367432937.db2.gz HKLDVERHWXOIBS-SNVBAGLBSA-N 1 2 241.297 3.124 20 0 BGADLO Cc1ccc(F)cc1C[NH2+]C(C)(C)C(F)F ZINC000381620741 539005317 /nfs/dbraw/zinc/00/53/17/539005317.db2.gz ZFIZFUZLQOAXFG-UHFFFAOYSA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@H]1CC[C@H](Nc2cc[nH+]c(C)n2)CC1 ZINC000381628163 346475830 /nfs/dbraw/zinc/47/58/30/346475830.db2.gz NEDKVYRJLHXKQS-HAQNSBGRSA-N 1 2 219.332 3.166 20 0 BGADLO CCc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000381640492 539005484 /nfs/dbraw/zinc/00/54/84/539005484.db2.gz AJHVGBRMCCOMSI-UHFFFAOYSA-N 1 2 227.298 3.382 20 0 BGADLO CCC(C)(C)CCSc1nc(N)cc(C)[nH+]1 ZINC000381658026 367444877 /nfs/dbraw/zinc/44/48/77/367444877.db2.gz UFAAKRYKXUVCGQ-UHFFFAOYSA-N 1 2 239.388 3.116 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NC[C@H]1C[C@@H]1C ZINC000381777957 710712465 /nfs/dbraw/zinc/71/24/65/710712465.db2.gz XIPGHNIJKJBNMT-CMPLNLGQSA-N 1 2 218.344 3.129 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+]C[C@H]1C[C@@H]1C ZINC000381777957 710712461 /nfs/dbraw/zinc/71/24/61/710712461.db2.gz XIPGHNIJKJBNMT-CMPLNLGQSA-N 1 2 218.344 3.129 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NC[C@@H]1C[C@@H]1C ZINC000381777972 710712216 /nfs/dbraw/zinc/71/22/16/710712216.db2.gz XIPGHNIJKJBNMT-JQWIXIFHSA-N 1 2 218.344 3.129 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+]C[C@@H]1C[C@@H]1C ZINC000381777972 710712214 /nfs/dbraw/zinc/71/22/14/710712214.db2.gz XIPGHNIJKJBNMT-JQWIXIFHSA-N 1 2 218.344 3.129 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NC[C@@H]1C[C@H]1C ZINC000381778025 710712576 /nfs/dbraw/zinc/71/25/76/710712576.db2.gz XIPGHNIJKJBNMT-PWSUYJOCSA-N 1 2 218.344 3.129 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+]C[C@@H]1C[C@H]1C ZINC000381778025 710712573 /nfs/dbraw/zinc/71/25/73/710712573.db2.gz XIPGHNIJKJBNMT-PWSUYJOCSA-N 1 2 218.344 3.129 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NC[C@H]1C[C@H]1C ZINC000381778030 710712156 /nfs/dbraw/zinc/71/21/56/710712156.db2.gz XIPGHNIJKJBNMT-ZYHUDNBSSA-N 1 2 218.344 3.129 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+]C[C@H]1C[C@H]1C ZINC000381778030 710712155 /nfs/dbraw/zinc/71/21/55/710712155.db2.gz XIPGHNIJKJBNMT-ZYHUDNBSSA-N 1 2 218.344 3.129 20 0 BGADLO FC(F)(F)c1cc[nH+]c(NCC2(F)CC2)c1 ZINC000381868701 539007450 /nfs/dbraw/zinc/00/74/50/539007450.db2.gz YAXVOOZQWVQRPE-UHFFFAOYSA-N 1 2 234.196 3.014 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000382011026 367478649 /nfs/dbraw/zinc/47/86/49/367478649.db2.gz MMJFCUKDRMHKGY-LNFKQOIKSA-N 1 2 233.277 3.106 20 0 BGADLO FC(F)(F)[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000382011038 367478709 /nfs/dbraw/zinc/47/87/09/367478709.db2.gz MMJFCUKDRMHKGY-VLEAKVRGSA-N 1 2 233.277 3.106 20 0 BGADLO FC(F)(F)[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000382011042 367478534 /nfs/dbraw/zinc/47/85/34/367478534.db2.gz MMJFCUKDRMHKGY-ZDCRXTMVSA-N 1 2 233.277 3.106 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC000382011045 367478431 /nfs/dbraw/zinc/47/84/31/367478431.db2.gz MMJFCUKDRMHKGY-ZRUFSTJUSA-N 1 2 233.277 3.106 20 0 BGADLO Cc1cc(N[C@@H](C)[C@@H]2CC3CCC2CC3)nc[nH+]1 ZINC000382044180 398300089 /nfs/dbraw/zinc/30/00/89/398300089.db2.gz DTIQPMBISBZNSH-ABXWRUBCSA-N 1 2 245.370 3.412 20 0 BGADLO Cc1cc(N[C@H](C)[C@H]2CC3CCC2CC3)nc[nH+]1 ZINC000382044181 398300159 /nfs/dbraw/zinc/30/01/59/398300159.db2.gz DTIQPMBISBZNSH-BLYZHGLHSA-N 1 2 245.370 3.412 20 0 BGADLO Cc1cc(N[C@@H](C)[C@H]2CC3CCC2CC3)nc[nH+]1 ZINC000382044182 398300266 /nfs/dbraw/zinc/30/02/66/398300266.db2.gz DTIQPMBISBZNSH-GFJIZPEISA-N 1 2 245.370 3.412 20 0 BGADLO Cc1cc(N[C@H](C)[C@@H]2CC3CCC2CC3)nc[nH+]1 ZINC000382044183 398300216 /nfs/dbraw/zinc/30/02/16/398300216.db2.gz DTIQPMBISBZNSH-RYSNWHEDSA-N 1 2 245.370 3.412 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1cc(F)cc(F)c1 ZINC000382105321 347300038 /nfs/dbraw/zinc/30/00/38/347300038.db2.gz IECUCLLNFQNSGY-SSDOTTSWSA-N 1 2 235.224 3.271 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1cc(F)cc(F)c1 ZINC000382105322 347299918 /nfs/dbraw/zinc/29/99/18/347299918.db2.gz IECUCLLNFQNSGY-ZETCQYMHSA-N 1 2 235.224 3.271 20 0 BGADLO Cc1cc(C)c(C[NH2+]CC(C)(F)F)cc1C ZINC000382106191 347177943 /nfs/dbraw/zinc/17/79/43/347177943.db2.gz INHYLRTXXPBPDW-UHFFFAOYSA-N 1 2 227.298 3.357 20 0 BGADLO COc1ccc[nH+]c1NCc1ccsc1C ZINC000382110642 347332052 /nfs/dbraw/zinc/33/20/52/347332052.db2.gz KCYVLRMTVWQCQW-UHFFFAOYSA-N 1 2 234.324 3.072 20 0 BGADLO CCCc1cccc(C[NH2+]CC(C)(F)F)c1 ZINC000382115744 398305948 /nfs/dbraw/zinc/30/59/48/398305948.db2.gz MCRPFNBWOLNBAP-UHFFFAOYSA-N 1 2 227.298 3.384 20 0 BGADLO Cc1cccc2c1CC[C@H]2[NH2+]CC(C)(F)F ZINC000382116226 398255671 /nfs/dbraw/zinc/25/56/71/398255671.db2.gz FQXUVIJRYDLQPM-GFCCVEGCSA-N 1 2 225.282 3.227 20 0 BGADLO Cc1cccc2c1CC[C@@H]2[NH2+]CC(C)(F)F ZINC000382116228 398305827 /nfs/dbraw/zinc/30/58/27/398305827.db2.gz FQXUVIJRYDLQPM-LBPRGKRZSA-N 1 2 225.282 3.227 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1cccs1 ZINC000382142829 367490566 /nfs/dbraw/zinc/49/05/66/367490566.db2.gz NBGWPGGZYOVWBL-SSDOTTSWSA-N 1 2 205.273 3.054 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1cccs1 ZINC000382142830 357367133 /nfs/dbraw/zinc/36/71/33/357367133.db2.gz NBGWPGGZYOVWBL-ZETCQYMHSA-N 1 2 205.273 3.054 20 0 BGADLO C/C(=C\c1ccccc1)C[NH2+]CC(C)(F)F ZINC000382157519 347205446 /nfs/dbraw/zinc/20/54/46/347205446.db2.gz RSOXEKUQSMERQE-DHZHZOJOSA-N 1 2 225.282 3.335 20 0 BGADLO C/C(=C/c1ccccc1)C[NH2+]CC(C)(F)F ZINC000382157520 347205808 /nfs/dbraw/zinc/20/58/08/347205808.db2.gz RSOXEKUQSMERQE-FLIBITNWSA-N 1 2 225.282 3.335 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]CC(C)(F)F)s1 ZINC000382168673 384764145 /nfs/dbraw/zinc/76/41/45/384764145.db2.gz VQYJQRWXDQCRAT-MRVPVSSYSA-N 1 2 219.300 3.362 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]CC(C)(F)F)s1 ZINC000382168674 384765438 /nfs/dbraw/zinc/76/54/38/384765438.db2.gz VQYJQRWXDQCRAT-QMMMGPOBSA-N 1 2 219.300 3.362 20 0 BGADLO CCCc1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000382171083 397917229 /nfs/dbraw/zinc/91/72/29/397917229.db2.gz WIICEMAODOJNIO-UHFFFAOYSA-N 1 2 227.298 3.384 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCCc2sccc21 ZINC000382185820 367495842 /nfs/dbraw/zinc/49/58/42/367495842.db2.gz AYYRLOGSZAOGKZ-SECBINFHSA-N 1 2 231.311 3.370 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCCc2sccc21 ZINC000382185823 367496270 /nfs/dbraw/zinc/49/62/70/367496270.db2.gz AYYRLOGSZAOGKZ-VIFPVBQESA-N 1 2 231.311 3.370 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C(F)(F)F ZINC000382188995 367496739 /nfs/dbraw/zinc/49/67/39/367496739.db2.gz CAKTYXDLMHHOBA-DVVUODLYSA-N 1 2 235.293 3.496 20 0 BGADLO Cc1cc(C[NH2+]CC(C)(F)F)c(C)s1 ZINC000382199977 347229671 /nfs/dbraw/zinc/22/96/71/347229671.db2.gz DUIAQPMASAMEJU-UHFFFAOYSA-N 1 2 219.300 3.110 20 0 BGADLO CSc1ccc(C[NH2+]CC(C)(F)F)s1 ZINC000382313692 347272425 /nfs/dbraw/zinc/27/24/25/347272425.db2.gz QYCSFCNXVMVHCB-UHFFFAOYSA-N 1 2 237.340 3.215 20 0 BGADLO CC(F)(F)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000382319638 347276501 /nfs/dbraw/zinc/27/65/01/347276501.db2.gz SSXNRSUAZGABGI-UHFFFAOYSA-N 1 2 235.224 3.369 20 0 BGADLO Cc1ccccc1[C@H](C)[NH2+]CC(C)(F)F ZINC000382329121 367508109 /nfs/dbraw/zinc/50/81/09/367508109.db2.gz VWLPOCDTNLORHZ-JTQLQIEISA-N 1 2 213.271 3.301 20 0 BGADLO Cc1ccccc1[C@@H](C)[NH2+]CC(C)(F)F ZINC000382329125 347280416 /nfs/dbraw/zinc/28/04/16/347280416.db2.gz VWLPOCDTNLORHZ-SNVBAGLBSA-N 1 2 213.271 3.301 20 0 BGADLO Cc1nc(C)c([C@H](C)[NH2+]CC(C)(F)F)s1 ZINC000382333275 357462156 /nfs/dbraw/zinc/46/21/56/357462156.db2.gz XEKUDLLNAILHBE-LURJTMIESA-N 1 2 234.315 3.066 20 0 BGADLO Cc1nc(C)c([C@@H](C)[NH2+]CC(C)(F)F)s1 ZINC000382333276 347281451 /nfs/dbraw/zinc/28/14/51/347281451.db2.gz XEKUDLLNAILHBE-ZCFIWIBFSA-N 1 2 234.315 3.066 20 0 BGADLO CC(F)(F)C[NH2+]Cc1cccc(Cl)c1 ZINC000382339238 367509182 /nfs/dbraw/zinc/50/91/82/367509182.db2.gz ZAWVBONSMUZKNY-UHFFFAOYSA-N 1 2 219.662 3.085 20 0 BGADLO Cc1ccc(C[NH2+]CC(C)(F)F)cc1Cl ZINC000382341581 367509885 /nfs/dbraw/zinc/50/98/85/367509885.db2.gz CFXYVPGNNMVAAK-UHFFFAOYSA-N 1 2 233.689 3.393 20 0 BGADLO CCCC1CCC(Nc2c[nH]c[nH+]2)CC1 ZINC000382394690 367515283 /nfs/dbraw/zinc/51/52/83/367515283.db2.gz YHERTECAVOKZBK-UHFFFAOYSA-N 1 2 207.321 3.181 20 0 BGADLO Cc1sccc1C[NH2+][C@H]1CCCC1(F)F ZINC000382397149 397945631 /nfs/dbraw/zinc/94/56/31/397945631.db2.gz OKZJSFJFOFEXAE-JTQLQIEISA-N 1 2 231.311 3.334 20 0 BGADLO Cc1sccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000382397166 397946745 /nfs/dbraw/zinc/94/67/45/397946745.db2.gz OKZJSFJFOFEXAE-SNVBAGLBSA-N 1 2 231.311 3.334 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCSc2ccccc21 ZINC000382424672 367520644 /nfs/dbraw/zinc/52/06/44/367520644.db2.gz XTDHLVFNJBCSQP-JTQLQIEISA-N 1 2 243.322 3.468 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000382424675 367519950 /nfs/dbraw/zinc/51/99/50/367519950.db2.gz XTDHLVFNJBCSQP-SNVBAGLBSA-N 1 2 243.322 3.468 20 0 BGADLO CC(F)(F)C[NH2+]Cc1coc2ccccc12 ZINC000382424691 397948786 /nfs/dbraw/zinc/94/87/86/397948786.db2.gz XTLDVFGTVOTUTJ-UHFFFAOYSA-N 1 2 225.238 3.178 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000382425823 367520689 /nfs/dbraw/zinc/52/06/89/367520689.db2.gz YGDHGVRIOYDVSI-LLVKDONJSA-N 1 2 229.245 3.058 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCc2c1cccc2F ZINC000382425832 367520072 /nfs/dbraw/zinc/52/00/72/367520072.db2.gz YGDHGVRIOYDVSI-NSHDSACASA-N 1 2 229.245 3.058 20 0 BGADLO CC(F)(F)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000382426385 367520684 /nfs/dbraw/zinc/52/06/84/367520684.db2.gz YIVNDXWZTCSJSO-UHFFFAOYSA-N 1 2 246.326 3.155 20 0 BGADLO Cc1ccc2c(c1)CC[C@H]2[NH2+]CC(C)(F)F ZINC000382429194 711758827 /nfs/dbraw/zinc/75/88/27/711758827.db2.gz ZGGLGZSBYPCRSD-GFCCVEGCSA-N 1 2 225.282 3.227 20 0 BGADLO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC(C)(F)F ZINC000382429201 711758830 /nfs/dbraw/zinc/75/88/30/711758830.db2.gz ZGGLGZSBYPCRSD-LBPRGKRZSA-N 1 2 225.282 3.227 20 0 BGADLO CC(F)(F)C[NH2+]Cc1ccc2occc2c1 ZINC000382434022 350777995 /nfs/dbraw/zinc/77/79/95/350777995.db2.gz NBBUPBROYINDLW-UHFFFAOYSA-N 1 2 225.238 3.178 20 0 BGADLO CCc1cc(NC2(CC)CCCC2)nc[nH+]1 ZINC000382580284 397961975 /nfs/dbraw/zinc/96/19/75/397961975.db2.gz VKERLVAZCCKZFY-UHFFFAOYSA-N 1 2 219.332 3.174 20 0 BGADLO CC[C@@H](Nc1cc(C)[nH+]cn1)C1CCCC1 ZINC000382816169 367561001 /nfs/dbraw/zinc/56/10/01/367561001.db2.gz CCWZUMCTMGOTGS-GFCCVEGCSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@H](Nc1cc(C)[nH+]cn1)C1CCCC1 ZINC000382816170 367560707 /nfs/dbraw/zinc/56/07/07/367560707.db2.gz CCWZUMCTMGOTGS-LBPRGKRZSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@@H](Nc1cc[nH+]c(C)n1)C1CCCC1 ZINC000382830059 367562572 /nfs/dbraw/zinc/56/25/72/367562572.db2.gz YVSQVRGKYKYXQN-GFCCVEGCSA-N 1 2 219.332 3.166 20 0 BGADLO CC[C@H](Nc1cc[nH+]c(C)n1)C1CCCC1 ZINC000382830060 347442445 /nfs/dbraw/zinc/44/24/45/347442445.db2.gz YVSQVRGKYKYXQN-LBPRGKRZSA-N 1 2 219.332 3.166 20 0 BGADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc(N2CCCC2)cc1 ZINC000383338128 710980510 /nfs/dbraw/zinc/98/05/10/710980510.db2.gz JGSVEPMZNRITPR-DOMZBBRYSA-N 1 2 230.355 3.497 20 0 BGADLO C[C@@H]1CC[C@@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000383338128 710980508 /nfs/dbraw/zinc/98/05/08/710980508.db2.gz JGSVEPMZNRITPR-DOMZBBRYSA-N 1 2 230.355 3.497 20 0 BGADLO C[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CCCC2)cc1 ZINC000383338129 710980719 /nfs/dbraw/zinc/98/07/19/710980719.db2.gz JGSVEPMZNRITPR-IUODEOHRSA-N 1 2 230.355 3.497 20 0 BGADLO C[C@@H]1CC[C@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000383338129 710980717 /nfs/dbraw/zinc/98/07/17/710980717.db2.gz JGSVEPMZNRITPR-IUODEOHRSA-N 1 2 230.355 3.497 20 0 BGADLO C[C@H]1CC[C@H]1[NH2+]c1ccc(N2CCCC2)cc1 ZINC000383338131 710980660 /nfs/dbraw/zinc/98/06/60/710980660.db2.gz JGSVEPMZNRITPR-SWLSCSKDSA-N 1 2 230.355 3.497 20 0 BGADLO C[C@H]1CC[C@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000383338131 710980659 /nfs/dbraw/zinc/98/06/59/710980659.db2.gz JGSVEPMZNRITPR-SWLSCSKDSA-N 1 2 230.355 3.497 20 0 BGADLO C[C@H]1CC[C@@H]1[NH2+]c1ccc(N2CCCC2)cc1 ZINC000383338133 710980294 /nfs/dbraw/zinc/98/02/94/710980294.db2.gz JGSVEPMZNRITPR-WFASDCNBSA-N 1 2 230.355 3.497 20 0 BGADLO C[C@H]1CC[C@@H]1Nc1ccc([NH+]2CCCC2)cc1 ZINC000383338133 710980290 /nfs/dbraw/zinc/98/02/90/710980290.db2.gz JGSVEPMZNRITPR-WFASDCNBSA-N 1 2 230.355 3.497 20 0 BGADLO COc1ccc([NH2+]CC2(C)CCC2)c(OC)c1 ZINC000383772097 710915798 /nfs/dbraw/zinc/91/57/98/710915798.db2.gz GSYCEGNVZXYYLQ-UHFFFAOYSA-N 1 2 235.327 3.306 20 0 BGADLO COc1cc(C)ccc1[NH2+]CCC1(OC)CCC1 ZINC000383923154 367659998 /nfs/dbraw/zinc/65/99/98/367659998.db2.gz HYTBWMYZTYUJLV-UHFFFAOYSA-N 1 2 249.354 3.375 20 0 BGADLO Cc1cc(N[C@@H](C)CC(C)(C)C)nc[nH+]1 ZINC000384414186 367690723 /nfs/dbraw/zinc/69/07/23/367690723.db2.gz FUKGMFGPWUMMRL-JTQLQIEISA-N 1 2 207.321 3.022 20 0 BGADLO Cc1cc(N[C@H](C)CC(C)(C)C)nc[nH+]1 ZINC000384414187 367690605 /nfs/dbraw/zinc/69/06/05/367690605.db2.gz FUKGMFGPWUMMRL-SNVBAGLBSA-N 1 2 207.321 3.022 20 0 BGADLO CC(C)(CNc1cccc[nH+]1)C1CCC1 ZINC000384849436 367743387 /nfs/dbraw/zinc/74/33/87/367743387.db2.gz KYEKSIDGQJWTJY-UHFFFAOYSA-N 1 2 204.317 3.320 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc3ccccc3[nH+]2)[C@@H](C)O1 ZINC000385040625 344304890 /nfs/dbraw/zinc/30/48/90/344304890.db2.gz ZFDRTPXEVWHXKM-GYSYKLTISA-N 1 2 242.322 3.213 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc3ccccc3[nH+]2)[C@@H](C)O1 ZINC000385040626 344304611 /nfs/dbraw/zinc/30/46/11/344304611.db2.gz ZFDRTPXEVWHXKM-JTNHKYCSSA-N 1 2 242.322 3.213 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc3ccccc3[nH+]2)[C@H](C)O1 ZINC000385040627 344304765 /nfs/dbraw/zinc/30/47/65/344304765.db2.gz ZFDRTPXEVWHXKM-SUNKGSAMSA-N 1 2 242.322 3.213 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc3ccccc3[nH+]2)[C@H](C)O1 ZINC000385040628 344304694 /nfs/dbraw/zinc/30/46/94/344304694.db2.gz ZFDRTPXEVWHXKM-UHIISALHSA-N 1 2 242.322 3.213 20 0 BGADLO CC1(C)CC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000385111443 367794650 /nfs/dbraw/zinc/79/46/50/367794650.db2.gz AJTHCOZETJHSQU-CYBMUJFWSA-N 1 2 245.370 3.282 20 0 BGADLO CC1(C)CC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000385111445 367793563 /nfs/dbraw/zinc/79/35/63/367793563.db2.gz AJTHCOZETJHSQU-ZDUSSCGKSA-N 1 2 245.370 3.282 20 0 BGADLO CSC(C)(C)CCNc1ccc[nH+]c1C ZINC000385183707 711007198 /nfs/dbraw/zinc/00/71/98/711007198.db2.gz DECGMPVAAJNOKI-UHFFFAOYSA-N 1 2 224.373 3.334 20 0 BGADLO FC1(F)CC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000385806206 566494763 /nfs/dbraw/zinc/49/47/63/566494763.db2.gz OBUPNEZSSXLDMZ-LLVKDONJSA-N 1 2 248.276 3.256 20 0 BGADLO FC1(F)CC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000385806207 566494577 /nfs/dbraw/zinc/49/45/77/566494577.db2.gz OBUPNEZSSXLDMZ-NSHDSACASA-N 1 2 248.276 3.256 20 0 BGADLO C[C@@H]([NH2+]c1ccc(-n2cccn2)cc1)C1CCC1 ZINC000385990731 367894460 /nfs/dbraw/zinc/89/44/60/367894460.db2.gz PQXQXKMTWVUEPC-GFCCVEGCSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@H]([NH2+]c1ccc(-n2cccn2)cc1)C1CCC1 ZINC000385990734 367894621 /nfs/dbraw/zinc/89/46/21/367894621.db2.gz PQXQXKMTWVUEPC-LBPRGKRZSA-N 1 2 241.338 3.473 20 0 BGADLO C[C@@H]1C[C@H](Nc2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000386563765 367992800 /nfs/dbraw/zinc/99/28/00/367992800.db2.gz WADJXHSSSOXAIP-JMSVASOKSA-N 1 2 241.338 3.329 20 0 BGADLO C[C@@H]1C[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000386563769 367992037 /nfs/dbraw/zinc/99/20/37/367992037.db2.gz WADJXHSSSOXAIP-LALPHHSUSA-N 1 2 241.338 3.329 20 0 BGADLO C[C@@H]1C[C@@H](Nc2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000386563771 367992202 /nfs/dbraw/zinc/99/22/02/367992202.db2.gz WADJXHSSSOXAIP-TYNCELHUSA-N 1 2 241.338 3.329 20 0 BGADLO C[C@@H]1C[C@H](Nc2cccc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000386563776 367992666 /nfs/dbraw/zinc/99/26/66/367992666.db2.gz WADJXHSSSOXAIP-XUJVJEKNSA-N 1 2 241.338 3.329 20 0 BGADLO CCc1cc(N[C@@H]2CC23CCCCC3)nc[nH+]1 ZINC000386867320 539013887 /nfs/dbraw/zinc/01/38/87/539013887.db2.gz CXPYHJYUBWFTCY-GFCCVEGCSA-N 1 2 231.343 3.174 20 0 BGADLO CCc1cc(N[C@H]2CC23CCCCC3)nc[nH+]1 ZINC000386867322 539013854 /nfs/dbraw/zinc/01/38/54/539013854.db2.gz CXPYHJYUBWFTCY-LBPRGKRZSA-N 1 2 231.343 3.174 20 0 BGADLO CCn1c[nH+]cc1CNc1ccsc1Cl ZINC000387250563 368136326 /nfs/dbraw/zinc/13/63/26/368136326.db2.gz QAZCSJJDTLEAMT-UHFFFAOYSA-N 1 2 241.747 3.230 20 0 BGADLO C[C@@H]1C[N@H+](C/C(Cl)=C\Cl)C[C@H](C)S1 ZINC000388615780 711064221 /nfs/dbraw/zinc/06/42/21/711064221.db2.gz CVHABSUBOJODML-TUAQSSMMSA-N 1 2 240.199 3.131 20 0 BGADLO C[C@@H]1C[N@@H+](C/C(Cl)=C\Cl)C[C@H](C)S1 ZINC000388615780 711064218 /nfs/dbraw/zinc/06/42/18/711064218.db2.gz CVHABSUBOJODML-TUAQSSMMSA-N 1 2 240.199 3.131 20 0 BGADLO C[C@@H]1C[NH+](C/C(Cl)=C\Cl)C[C@@H](C)S1 ZINC000388615791 711063586 /nfs/dbraw/zinc/06/35/86/711063586.db2.gz CVHABSUBOJODML-VWKYRKHGSA-N 1 2 240.199 3.131 20 0 BGADLO CCCC[C@@H](C)[NH2+][C@@H](CC)C(F)(F)F ZINC000388880227 386756308 /nfs/dbraw/zinc/75/63/08/386756308.db2.gz HVQOLMGJPGQMKQ-BDAKNGLRSA-N 1 2 211.271 3.496 20 0 BGADLO CCCC[C@H](C)[NH2+][C@@H](CC)C(F)(F)F ZINC000388880229 386756294 /nfs/dbraw/zinc/75/62/94/386756294.db2.gz HVQOLMGJPGQMKQ-IUCAKERBSA-N 1 2 211.271 3.496 20 0 BGADLO CC[C@H]([NH2+][C@H]1CC[C@@H]1CC)C(F)(F)F ZINC000389265928 355943732 /nfs/dbraw/zinc/94/37/32/355943732.db2.gz JJHYYHGDBKUMFL-CIUDSAMLSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)C(F)(F)F ZINC000389265929 355943633 /nfs/dbraw/zinc/94/36/33/355943633.db2.gz JJHYYHGDBKUMFL-HLTSFMKQSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@H]1CC[C@H]1CC)C(F)(F)F ZINC000389265930 355943874 /nfs/dbraw/zinc/94/38/74/355943874.db2.gz JJHYYHGDBKUMFL-VGMNWLOBSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CC[C@@H]1CC)C(F)(F)F ZINC000389265931 355943833 /nfs/dbraw/zinc/94/38/33/355943833.db2.gz JJHYYHGDBKUMFL-YIZRAAEISA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@@](C)([NH2+]CC1CCC1)C(F)(F)F ZINC000389266056 355943434 /nfs/dbraw/zinc/94/34/34/355943434.db2.gz JOHJRFXRFKSQQG-SECBINFHSA-N 1 2 209.255 3.107 20 0 BGADLO CC[C@](C)([NH2+]CC1CCC1)C(F)(F)F ZINC000389266057 355943801 /nfs/dbraw/zinc/94/38/01/355943801.db2.gz JOHJRFXRFKSQQG-VIFPVBQESA-N 1 2 209.255 3.107 20 0 BGADLO CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)C(F)(F)F ZINC000389274007 355939871 /nfs/dbraw/zinc/93/98/71/355939871.db2.gz NIYSECQBNPEKNF-CIUDSAMLSA-N 1 2 211.271 3.352 20 0 BGADLO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](CC)C(F)(F)F ZINC000389274008 355939469 /nfs/dbraw/zinc/93/94/69/355939469.db2.gz NIYSECQBNPEKNF-HLTSFMKQSA-N 1 2 211.271 3.352 20 0 BGADLO CC[C@@H](C)[C@H](C)[NH2+][C@@H](CC)C(F)(F)F ZINC000389274013 355939937 /nfs/dbraw/zinc/93/99/37/355939937.db2.gz NIYSECQBNPEKNF-VGMNWLOBSA-N 1 2 211.271 3.352 20 0 BGADLO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)C(F)(F)F ZINC000389274018 355939818 /nfs/dbraw/zinc/93/98/18/355939818.db2.gz NIYSECQBNPEKNF-YIZRAAEISA-N 1 2 211.271 3.352 20 0 BGADLO CC[C@@](C)([NH2+]CCCCF)C(F)(F)F ZINC000389277689 355939677 /nfs/dbraw/zinc/93/96/77/355939677.db2.gz PYOUJSSNOGPQBS-MRVPVSSYSA-N 1 2 215.234 3.057 20 0 BGADLO CC[C@](C)([NH2+]CCCCF)C(F)(F)F ZINC000389277690 355939758 /nfs/dbraw/zinc/93/97/58/355939758.db2.gz PYOUJSSNOGPQBS-QMMMGPOBSA-N 1 2 215.234 3.057 20 0 BGADLO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)C(F)(F)F ZINC000389303020 355956005 /nfs/dbraw/zinc/95/60/05/355956005.db2.gz MSQVIFKQQVBURU-KATARQTJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H]1C[C@H](C)CC[C@@H]1C)C(F)(F)F ZINC000389303027 355956031 /nfs/dbraw/zinc/95/60/31/355956031.db2.gz MSQVIFKQQVBURU-RGOKHQFPSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)C(F)(F)F ZINC000389303033 355956022 /nfs/dbraw/zinc/95/60/22/355956022.db2.gz MSQVIFKQQVBURU-UTINFBMNSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)C(F)(F)F ZINC000389303036 355955665 /nfs/dbraw/zinc/95/56/65/355955665.db2.gz MSQVIFKQQVBURU-XFWSIPNHSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@@H](C)C[NH2+][C@@](C)(CC)C(F)(F)F ZINC000389307313 355960807 /nfs/dbraw/zinc/96/08/07/355960807.db2.gz NYKMUFWJLXXAMF-BDAKNGLRSA-N 1 2 211.271 3.353 20 0 BGADLO CC[C@H](C)C[NH2+][C@](C)(CC)C(F)(F)F ZINC000389307314 355960370 /nfs/dbraw/zinc/96/03/70/355960370.db2.gz NYKMUFWJLXXAMF-DTWKUNHWSA-N 1 2 211.271 3.353 20 0 BGADLO CC[C@H](C)C[NH2+][C@@](C)(CC)C(F)(F)F ZINC000389307315 355961044 /nfs/dbraw/zinc/96/10/44/355961044.db2.gz NYKMUFWJLXXAMF-IUCAKERBSA-N 1 2 211.271 3.353 20 0 BGADLO CC[C@@H](C)C[NH2+][C@](C)(CC)C(F)(F)F ZINC000389307316 355961038 /nfs/dbraw/zinc/96/10/38/355961038.db2.gz NYKMUFWJLXXAMF-RKDXNWHRSA-N 1 2 211.271 3.353 20 0 BGADLO C[C@@H]([NH2+]CC1CCCCC1)C(F)(F)F ZINC000389313391 355964278 /nfs/dbraw/zinc/96/42/78/355964278.db2.gz PNGJFAMIMUZWTG-MRVPVSSYSA-N 1 2 209.255 3.107 20 0 BGADLO C[C@H]([NH2+]CC1CCCCC1)C(F)(F)F ZINC000389313400 355964097 /nfs/dbraw/zinc/96/40/97/355964097.db2.gz PNGJFAMIMUZWTG-QMMMGPOBSA-N 1 2 209.255 3.107 20 0 BGADLO Cc1ccc(NC[C@H](C)C(C)(C)C)c[nH+]1 ZINC000389313852 488088642 /nfs/dbraw/zinc/08/86/42/488088642.db2.gz CWUMCZGMFBOTNP-JTQLQIEISA-N 1 2 206.333 3.484 20 0 BGADLO Cc1ccc(NC[C@@H](C)C(C)(C)C)c[nH+]1 ZINC000389313853 488088538 /nfs/dbraw/zinc/08/85/38/488088538.db2.gz CWUMCZGMFBOTNP-SNVBAGLBSA-N 1 2 206.333 3.484 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(F)(F)F ZINC000389367654 355983475 /nfs/dbraw/zinc/98/34/75/355983475.db2.gz VYRDPUQIZCUMGQ-CIUDSAMLSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(F)(F)F ZINC000389367659 355984017 /nfs/dbraw/zinc/98/40/17/355984017.db2.gz VYRDPUQIZCUMGQ-HLTSFMKQSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCC[C@H]1C)C(F)(F)F ZINC000389367665 358422678 /nfs/dbraw/zinc/42/26/78/358422678.db2.gz VYRDPUQIZCUMGQ-VGMNWLOBSA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(F)(F)F ZINC000389367666 355983546 /nfs/dbraw/zinc/98/35/46/355983546.db2.gz VYRDPUQIZCUMGQ-YIZRAAEISA-N 1 2 209.255 3.106 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C(C)(F)F ZINC000389434263 356670636 /nfs/dbraw/zinc/67/06/36/356670636.db2.gz AVWSAMICMSHFKF-SSDOTTSWSA-N 1 2 235.224 3.098 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)C(C)(F)F ZINC000389434265 356671127 /nfs/dbraw/zinc/67/11/27/356671127.db2.gz AVWSAMICMSHFKF-ZETCQYMHSA-N 1 2 235.224 3.098 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccsc1 ZINC000389435722 356670893 /nfs/dbraw/zinc/67/08/93/356670893.db2.gz CMGVDULKJKMJPQ-HTQZYQBOSA-N 1 2 219.300 3.442 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccsc1)C(C)(F)F ZINC000389435906 356671101 /nfs/dbraw/zinc/67/11/01/356671101.db2.gz CMGVDULKJKMJPQ-JGVFFNPUSA-N 1 2 219.300 3.442 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccsc1 ZINC000389435907 356670922 /nfs/dbraw/zinc/67/09/22/356670922.db2.gz CMGVDULKJKMJPQ-SFYZADRCSA-N 1 2 219.300 3.442 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccsc1 ZINC000389435908 356670615 /nfs/dbraw/zinc/67/06/15/356670615.db2.gz CMGVDULKJKMJPQ-YUMQZZPRSA-N 1 2 219.300 3.442 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)C(C)(F)F)c(C)s1 ZINC000389444475 398326683 /nfs/dbraw/zinc/32/66/83/398326683.db2.gz LQFHOHYDVBUCBP-SECBINFHSA-N 1 2 233.327 3.498 20 0 BGADLO Cc1cc(C[NH2+][C@@H](C)C(C)(F)F)c(C)s1 ZINC000389444494 398093232 /nfs/dbraw/zinc/09/32/32/398093232.db2.gz LQFHOHYDVBUCBP-VIFPVBQESA-N 1 2 233.327 3.498 20 0 BGADLO C[C@@H]([NH2+]Cc1ccccc1Cl)C(C)(F)F ZINC000389444977 356672306 /nfs/dbraw/zinc/67/23/06/356672306.db2.gz MIDIZSHKWYDBGT-MRVPVSSYSA-N 1 2 233.689 3.473 20 0 BGADLO C[C@H]([NH2+]Cc1ccccc1Cl)C(C)(F)F ZINC000389444978 356672688 /nfs/dbraw/zinc/67/26/88/356672688.db2.gz MIDIZSHKWYDBGT-QMMMGPOBSA-N 1 2 233.689 3.473 20 0 BGADLO Cc1sccc1C[NH2+][C@H](C)C(C)(F)F ZINC000389446939 356673603 /nfs/dbraw/zinc/67/36/03/356673603.db2.gz OJQJPGGWEFXFQX-MRVPVSSYSA-N 1 2 219.300 3.190 20 0 BGADLO Cc1sccc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389446940 356672978 /nfs/dbraw/zinc/67/29/78/356672978.db2.gz OJQJPGGWEFXFQX-QMMMGPOBSA-N 1 2 219.300 3.190 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)C(C)(F)F)cs1 ZINC000389448482 356673621 /nfs/dbraw/zinc/67/36/21/356673621.db2.gz QDOROBGAEATJAD-MRVPVSSYSA-N 1 2 219.300 3.190 20 0 BGADLO Cc1cc(C[NH2+][C@@H](C)C(C)(F)F)cs1 ZINC000389448483 356673205 /nfs/dbraw/zinc/67/32/05/356673205.db2.gz QDOROBGAEATJAD-QMMMGPOBSA-N 1 2 219.300 3.190 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(C)(F)F ZINC000389450202 356674996 /nfs/dbraw/zinc/67/49/96/356674996.db2.gz RYNBNUDZOHNWPF-MRVPVSSYSA-N 1 2 233.689 3.473 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(Cl)cc1)C(C)(F)F ZINC000389450203 356674798 /nfs/dbraw/zinc/67/47/98/356674798.db2.gz RYNBNUDZOHNWPF-QMMMGPOBSA-N 1 2 233.689 3.473 20 0 BGADLO Cc1ccsc1C[NH2+][C@H](C)C(C)(F)F ZINC000389452079 356675974 /nfs/dbraw/zinc/67/59/74/356675974.db2.gz UNGLVUWLBPMBQS-MRVPVSSYSA-N 1 2 219.300 3.190 20 0 BGADLO Cc1ccsc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389452082 356675947 /nfs/dbraw/zinc/67/59/47/356675947.db2.gz UNGLVUWLBPMBQS-QMMMGPOBSA-N 1 2 219.300 3.190 20 0 BGADLO CCc1ccc(C[NH2+][C@H](C)C(C)(F)F)s1 ZINC000389454785 398094376 /nfs/dbraw/zinc/09/43/76/398094376.db2.gz WXORIUBCEVGYCK-MRVPVSSYSA-N 1 2 233.327 3.444 20 0 BGADLO CCc1ccc(C[NH2+][C@@H](C)C(C)(F)F)s1 ZINC000389454786 398094317 /nfs/dbraw/zinc/09/43/17/398094317.db2.gz WXORIUBCEVGYCK-QMMMGPOBSA-N 1 2 233.327 3.444 20 0 BGADLO Cc1[nH+]cccc1NC[C@H](C)C(C)(C)C ZINC000389457505 488097886 /nfs/dbraw/zinc/09/78/86/488097886.db2.gz ZHJUIQGOWHJQEQ-JTQLQIEISA-N 1 2 206.333 3.484 20 0 BGADLO Cc1[nH+]cccc1NC[C@@H](C)C(C)(C)C ZINC000389457516 488097633 /nfs/dbraw/zinc/09/76/33/488097633.db2.gz ZHJUIQGOWHJQEQ-SNVBAGLBSA-N 1 2 206.333 3.484 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)C(C)(F)F)s1 ZINC000389458148 356678506 /nfs/dbraw/zinc/67/85/06/356678506.db2.gz ZSEBUIIUALMTBC-MRVPVSSYSA-N 1 2 219.300 3.190 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)C(C)(F)F)s1 ZINC000389458149 356678864 /nfs/dbraw/zinc/67/88/64/356678864.db2.gz ZSEBUIIUALMTBC-QMMMGPOBSA-N 1 2 219.300 3.190 20 0 BGADLO C[C@@H]([NH2+]Cc1cccc(Cl)c1)C(C)(F)F ZINC000389458230 356678473 /nfs/dbraw/zinc/67/84/73/356678473.db2.gz ZZVPGBWDWKFGLT-MRVPVSSYSA-N 1 2 233.689 3.473 20 0 BGADLO C[C@H]([NH2+]Cc1cccc(Cl)c1)C(C)(F)F ZINC000389458235 356678764 /nfs/dbraw/zinc/67/87/64/356678764.db2.gz ZZVPGBWDWKFGLT-QMMMGPOBSA-N 1 2 233.689 3.473 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1cccc(O)c1 ZINC000389458405 356678490 /nfs/dbraw/zinc/67/84/90/356678490.db2.gz CIHOMFJJTJTRLY-BDAKNGLRSA-N 1 2 229.270 3.087 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(C)(F)F ZINC000389458420 356678751 /nfs/dbraw/zinc/67/87/51/356678751.db2.gz CIHOMFJJTJTRLY-DTWKUNHWSA-N 1 2 229.270 3.087 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1cccc(O)c1 ZINC000389458423 356678253 /nfs/dbraw/zinc/67/82/53/356678253.db2.gz CIHOMFJJTJTRLY-IUCAKERBSA-N 1 2 229.270 3.087 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1cccc(O)c1 ZINC000389458425 356678498 /nfs/dbraw/zinc/67/84/98/356678498.db2.gz CIHOMFJJTJTRLY-RKDXNWHRSA-N 1 2 229.270 3.087 20 0 BGADLO Cc1cc(C)cc(C[NH2+][C@H](C)C(C)(F)F)c1 ZINC000389459451 356680118 /nfs/dbraw/zinc/68/01/18/356680118.db2.gz DMJDFBLVIHZXFZ-LLVKDONJSA-N 1 2 227.298 3.437 20 0 BGADLO Cc1cc(C)cc(C[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000389459452 356680564 /nfs/dbraw/zinc/68/05/64/356680564.db2.gz DMJDFBLVIHZXFZ-NSHDSACASA-N 1 2 227.298 3.437 20 0 BGADLO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000389459498 356680334 /nfs/dbraw/zinc/68/03/34/356680334.db2.gz DTOFZQXZNKJRSD-NXEZZACHSA-N 1 2 243.297 3.390 20 0 BGADLO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000389459499 356680249 /nfs/dbraw/zinc/68/02/49/356680249.db2.gz DTOFZQXZNKJRSD-UWVGGRQHSA-N 1 2 243.297 3.390 20 0 BGADLO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000389459500 356680312 /nfs/dbraw/zinc/68/03/12/356680312.db2.gz DTOFZQXZNKJRSD-VHSXEESVSA-N 1 2 243.297 3.390 20 0 BGADLO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000389459501 356680688 /nfs/dbraw/zinc/68/06/88/356680688.db2.gz DTOFZQXZNKJRSD-ZJUUUORDSA-N 1 2 243.297 3.390 20 0 BGADLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C(C)(F)F ZINC000389460997 356680226 /nfs/dbraw/zinc/68/02/26/356680226.db2.gz CTIXZAODJAWHON-SSDOTTSWSA-N 1 2 235.224 3.098 20 0 BGADLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1)C(C)(F)F ZINC000389460998 356680423 /nfs/dbraw/zinc/68/04/23/356680423.db2.gz CTIXZAODJAWHON-ZETCQYMHSA-N 1 2 235.224 3.098 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)C(C)(F)F)c(C)c1 ZINC000389461971 356681055 /nfs/dbraw/zinc/68/10/55/356681055.db2.gz GMNUBBSWHDIUSB-LLVKDONJSA-N 1 2 227.298 3.437 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)C(C)(F)F)c(C)c1 ZINC000389461972 356681484 /nfs/dbraw/zinc/68/14/84/356681484.db2.gz GMNUBBSWHDIUSB-NSHDSACASA-N 1 2 227.298 3.437 20 0 BGADLO Cc1cccc(C[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000389462117 356681123 /nfs/dbraw/zinc/68/11/23/356681123.db2.gz DSZWHFAMHNQJSP-JTQLQIEISA-N 1 2 213.271 3.128 20 0 BGADLO Cc1cccc(C[NH2+][C@H](C)C(C)(F)F)c1 ZINC000389462120 356680886 /nfs/dbraw/zinc/68/08/86/356680886.db2.gz DSZWHFAMHNQJSP-SNVBAGLBSA-N 1 2 213.271 3.128 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(C)(F)F ZINC000389463125 356681585 /nfs/dbraw/zinc/68/15/85/356681585.db2.gz GATYSSAOUFZPGS-BXKDBHETSA-N 1 2 225.282 3.307 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(C)(F)F ZINC000389463132 356681253 /nfs/dbraw/zinc/68/12/53/356681253.db2.gz GATYSSAOUFZPGS-CABZTGNLSA-N 1 2 225.282 3.307 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(C)(F)F ZINC000389463134 356681225 /nfs/dbraw/zinc/68/12/25/356681225.db2.gz GATYSSAOUFZPGS-JOYOIKCWSA-N 1 2 225.282 3.307 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(C)(F)F ZINC000389463136 356681010 /nfs/dbraw/zinc/68/10/10/356681010.db2.gz GATYSSAOUFZPGS-SKDRFNHKSA-N 1 2 225.282 3.307 20 0 BGADLO Cc1ccc(C)c(C[NH2+][C@H](C)C(C)(F)F)c1 ZINC000389466540 356682076 /nfs/dbraw/zinc/68/20/76/356682076.db2.gz LGAILNUJOPQYOE-LLVKDONJSA-N 1 2 227.298 3.437 20 0 BGADLO Cc1ccc(C)c(C[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000389466542 356682495 /nfs/dbraw/zinc/68/24/95/356682495.db2.gz LGAILNUJOPQYOE-NSHDSACASA-N 1 2 227.298 3.437 20 0 BGADLO CCc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1 ZINC000389466853 356682336 /nfs/dbraw/zinc/68/23/36/356682336.db2.gz LOKPTDVZGFWESV-JTQLQIEISA-N 1 2 227.298 3.382 20 0 BGADLO CCc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1 ZINC000389466855 356682019 /nfs/dbraw/zinc/68/20/19/356682019.db2.gz LOKPTDVZGFWESV-SNVBAGLBSA-N 1 2 227.298 3.382 20 0 BGADLO Cc1ccccc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389467627 356681935 /nfs/dbraw/zinc/68/19/35/356681935.db2.gz KYUMZKIAIYTSTC-JTQLQIEISA-N 1 2 213.271 3.128 20 0 BGADLO Cc1ccccc1C[NH2+][C@H](C)C(C)(F)F ZINC000389467628 356682400 /nfs/dbraw/zinc/68/24/00/356682400.db2.gz KYUMZKIAIYTSTC-SNVBAGLBSA-N 1 2 213.271 3.128 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)o1 ZINC000389467735 356682067 /nfs/dbraw/zinc/68/20/67/356682067.db2.gz MPRUCHLYCXIXSJ-BDAKNGLRSA-N 1 2 217.259 3.282 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)(F)F)o1 ZINC000389467744 356682417 /nfs/dbraw/zinc/68/24/17/356682417.db2.gz MPRUCHLYCXIXSJ-DTWKUNHWSA-N 1 2 217.259 3.282 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)o1 ZINC000389467754 356681971 /nfs/dbraw/zinc/68/19/71/356681971.db2.gz MPRUCHLYCXIXSJ-IUCAKERBSA-N 1 2 217.259 3.282 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)o1 ZINC000389467763 356682222 /nfs/dbraw/zinc/68/22/22/356682222.db2.gz MPRUCHLYCXIXSJ-RKDXNWHRSA-N 1 2 217.259 3.282 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C(C)(F)F ZINC000389468136 356682082 /nfs/dbraw/zinc/68/20/82/356682082.db2.gz MYYOMTNSMDGAER-PELKAZGASA-N 1 2 243.272 3.446 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C(C)(F)F ZINC000389468138 356681948 /nfs/dbraw/zinc/68/19/48/356681948.db2.gz MYYOMTNSMDGAER-PRHODGIISA-N 1 2 243.272 3.446 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C(C)(F)F ZINC000389468140 356681907 /nfs/dbraw/zinc/68/19/07/356681907.db2.gz MYYOMTNSMDGAER-QPUJVOFHSA-N 1 2 243.272 3.446 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)C(C)(F)F ZINC000389468141 356681980 /nfs/dbraw/zinc/68/19/80/356681980.db2.gz MYYOMTNSMDGAER-UFBFGSQYSA-N 1 2 243.272 3.446 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCc2occc21)C(C)(F)F ZINC000389471301 356684238 /nfs/dbraw/zinc/68/42/38/356684238.db2.gz RBRXPFQMBOIBAF-PSASIEDQSA-N 1 2 229.270 3.290 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCc2occc21)C(C)(F)F ZINC000389471303 356683927 /nfs/dbraw/zinc/68/39/27/356683927.db2.gz RBRXPFQMBOIBAF-SCZZXKLOSA-N 1 2 229.270 3.290 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCc2occc21)C(C)(F)F ZINC000389471305 356684359 /nfs/dbraw/zinc/68/43/59/356684359.db2.gz RBRXPFQMBOIBAF-WCBMZHEXSA-N 1 2 229.270 3.290 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCc2occc21)C(C)(F)F ZINC000389471311 356684289 /nfs/dbraw/zinc/68/42/89/356684289.db2.gz RBRXPFQMBOIBAF-WPRPVWTQSA-N 1 2 229.270 3.290 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)C(C)(F)F ZINC000389472230 356680923 /nfs/dbraw/zinc/68/09/23/356680923.db2.gz SNUXNPAEWYCACR-PELKAZGASA-N 1 2 243.272 3.446 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C(C)(F)F ZINC000389472231 356681017 /nfs/dbraw/zinc/68/10/17/356681017.db2.gz SNUXNPAEWYCACR-PRHODGIISA-N 1 2 243.272 3.446 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C(C)(F)F ZINC000389472233 356681133 /nfs/dbraw/zinc/68/11/33/356681133.db2.gz SNUXNPAEWYCACR-QPUJVOFHSA-N 1 2 243.272 3.446 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C(C)(F)F ZINC000389472235 356681209 /nfs/dbraw/zinc/68/12/09/356681209.db2.gz SNUXNPAEWYCACR-UFBFGSQYSA-N 1 2 243.272 3.446 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1C ZINC000389473522 356681283 /nfs/dbraw/zinc/68/12/83/356681283.db2.gz VJLBRUCGZJIUQB-LLVKDONJSA-N 1 2 227.298 3.437 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1C ZINC000389473523 356681190 /nfs/dbraw/zinc/68/11/90/356681190.db2.gz VJLBRUCGZJIUQB-NSHDSACASA-N 1 2 227.298 3.437 20 0 BGADLO Cc1cccc(C[NH2+][C@H](C)C(C)(F)F)c1C ZINC000389476219 356685054 /nfs/dbraw/zinc/68/50/54/356685054.db2.gz ZRGMPLQJWRZGCY-LLVKDONJSA-N 1 2 227.298 3.437 20 0 BGADLO Cc1cccc(C[NH2+][C@@H](C)C(C)(F)F)c1C ZINC000389476220 356685059 /nfs/dbraw/zinc/68/50/59/356685059.db2.gz ZRGMPLQJWRZGCY-NSHDSACASA-N 1 2 227.298 3.437 20 0 BGADLO C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C(C)(F)F ZINC000389477237 356685018 /nfs/dbraw/zinc/68/50/18/356685018.db2.gz PRKYWKJMCRRMGH-SECBINFHSA-N 1 2 238.281 3.301 20 0 BGADLO C[C@H]([NH2+]Cc1cccc2[nH]ccc21)C(C)(F)F ZINC000389477240 356684708 /nfs/dbraw/zinc/68/47/08/356684708.db2.gz PRKYWKJMCRRMGH-VIFPVBQESA-N 1 2 238.281 3.301 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1 ZINC000389477651 356686038 /nfs/dbraw/zinc/68/60/38/356686038.db2.gz QHTWYMRUMOUFFB-JTQLQIEISA-N 1 2 213.271 3.128 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1 ZINC000389477652 356685957 /nfs/dbraw/zinc/68/59/57/356685957.db2.gz QHTWYMRUMOUFFB-SNVBAGLBSA-N 1 2 213.271 3.128 20 0 BGADLO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C(C)(F)F ZINC000389478331 356685717 /nfs/dbraw/zinc/68/57/17/356685717.db2.gz RHJHNMLSJLKQGQ-SECBINFHSA-N 1 2 238.281 3.301 20 0 BGADLO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)C(C)(F)F ZINC000389478335 356686150 /nfs/dbraw/zinc/68/61/50/356686150.db2.gz RHJHNMLSJLKQGQ-VIFPVBQESA-N 1 2 238.281 3.301 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(C)(F)F ZINC000389478397 356685859 /nfs/dbraw/zinc/68/58/59/356685859.db2.gz RKGKFMJDHFKRKS-SECBINFHSA-N 1 2 238.281 3.301 20 0 BGADLO C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(C)(F)F ZINC000389478398 356685994 /nfs/dbraw/zinc/68/59/94/356685994.db2.gz RKGKFMJDHFKRKS-VIFPVBQESA-N 1 2 238.281 3.301 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccccc1 ZINC000389479269 356686862 /nfs/dbraw/zinc/68/68/62/356686862.db2.gz SRJJLRIUYMWEQS-NXEZZACHSA-N 1 2 213.271 3.381 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccccc1 ZINC000389479270 356687011 /nfs/dbraw/zinc/68/70/11/356687011.db2.gz SRJJLRIUYMWEQS-UWVGGRQHSA-N 1 2 213.271 3.381 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(C)(F)F ZINC000389479271 356687162 /nfs/dbraw/zinc/68/71/62/356687162.db2.gz SRJJLRIUYMWEQS-VHSXEESVSA-N 1 2 213.271 3.381 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccccc1 ZINC000389479272 356686927 /nfs/dbraw/zinc/68/69/27/356686927.db2.gz SRJJLRIUYMWEQS-ZJUUUORDSA-N 1 2 213.271 3.381 20 0 BGADLO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)C(C)(F)F)s1 ZINC000389480050 356688068 /nfs/dbraw/zinc/68/80/68/356688068.db2.gz UFUKZSAMPQJKFV-HTRCEHHLSA-N 1 2 248.342 3.454 20 0 BGADLO Cc1nc(C)c([C@H](C)[NH2+][C@H](C)C(C)(F)F)s1 ZINC000389480052 356687844 /nfs/dbraw/zinc/68/78/44/356687844.db2.gz UFUKZSAMPQJKFV-POYBYMJQSA-N 1 2 248.342 3.454 20 0 BGADLO Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)s1 ZINC000389480054 356688075 /nfs/dbraw/zinc/68/80/75/356688075.db2.gz UFUKZSAMPQJKFV-SVRRBLITSA-N 1 2 248.342 3.454 20 0 BGADLO Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)C(C)(F)F)s1 ZINC000389480055 356687698 /nfs/dbraw/zinc/68/76/98/356687698.db2.gz UFUKZSAMPQJKFV-XPUUQOCRSA-N 1 2 248.342 3.454 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(C)(F)F)c1cccs1 ZINC000389480244 356687894 /nfs/dbraw/zinc/68/78/94/356687894.db2.gz UPXHULQFTGCPNW-HTQZYQBOSA-N 1 2 219.300 3.442 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(C)(F)F ZINC000389480246 356688044 /nfs/dbraw/zinc/68/80/44/356688044.db2.gz UPXHULQFTGCPNW-JGVFFNPUSA-N 1 2 219.300 3.442 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1cccs1 ZINC000389480248 356688199 /nfs/dbraw/zinc/68/81/99/356688199.db2.gz UPXHULQFTGCPNW-SFYZADRCSA-N 1 2 219.300 3.442 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(C)(F)F)c1cccs1 ZINC000389480254 356688005 /nfs/dbraw/zinc/68/80/05/356688005.db2.gz UPXHULQFTGCPNW-YUMQZZPRSA-N 1 2 219.300 3.442 20 0 BGADLO COc1ccc(C)cc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389481514 356687709 /nfs/dbraw/zinc/68/77/09/356687709.db2.gz GMWYWUBRCSYTAZ-JTQLQIEISA-N 1 2 243.297 3.137 20 0 BGADLO COc1ccc(C)cc1C[NH2+][C@H](C)C(C)(F)F ZINC000389481515 356688179 /nfs/dbraw/zinc/68/81/79/356688179.db2.gz GMWYWUBRCSYTAZ-SNVBAGLBSA-N 1 2 243.297 3.137 20 0 BGADLO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)C(F)(F)F ZINC000389483232 356689189 /nfs/dbraw/zinc/68/91/89/356689189.db2.gz ISHJSUINVCLJHH-MZVDVCFISA-N 1 2 247.304 3.352 20 0 BGADLO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)C(F)(F)F ZINC000389483239 356689063 /nfs/dbraw/zinc/68/90/63/356689063.db2.gz ISHJSUINVCLJHH-ZJGSIPCCSA-N 1 2 247.304 3.352 20 0 BGADLO C[C@H](CC(C)(C)C)[NH2+][C@H](C)C(F)(F)F ZINC000389483633 356689862 /nfs/dbraw/zinc/68/98/62/356689862.db2.gz JGYZUANHZQJIMM-HTQZYQBOSA-N 1 2 211.271 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C(F)(F)F ZINC000389483634 356690376 /nfs/dbraw/zinc/69/03/76/356690376.db2.gz JGYZUANHZQJIMM-JGVFFNPUSA-N 1 2 211.271 3.352 20 0 BGADLO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)C(F)(F)F ZINC000389483635 356689925 /nfs/dbraw/zinc/68/99/25/356689925.db2.gz JGYZUANHZQJIMM-SFYZADRCSA-N 1 2 211.271 3.352 20 0 BGADLO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)C(F)(F)F ZINC000389483636 356690223 /nfs/dbraw/zinc/69/02/23/356690223.db2.gz JGYZUANHZQJIMM-YUMQZZPRSA-N 1 2 211.271 3.352 20 0 BGADLO Cc1ccc(F)cc1C[NH2+][C@H](C)C(C)(F)F ZINC000389485880 356691916 /nfs/dbraw/zinc/69/19/16/356691916.db2.gz LWICUOWSCMGGAI-SECBINFHSA-N 1 2 231.261 3.267 20 0 BGADLO Cc1ccc(F)cc1C[NH2+][C@@H](C)C(C)(F)F ZINC000389485883 356692534 /nfs/dbraw/zinc/69/25/34/356692534.db2.gz LWICUOWSCMGGAI-VIFPVBQESA-N 1 2 231.261 3.267 20 0 BGADLO Cc1cccc(C[NH2+][C@H](C)C(C)(F)F)c1F ZINC000389489159 356693303 /nfs/dbraw/zinc/69/33/03/356693303.db2.gz PXLIGKJFRQKOLO-SECBINFHSA-N 1 2 231.261 3.267 20 0 BGADLO Cc1cccc(C[NH2+][C@@H](C)C(C)(F)F)c1F ZINC000389489160 356693437 /nfs/dbraw/zinc/69/34/37/356693437.db2.gz PXLIGKJFRQKOLO-VIFPVBQESA-N 1 2 231.261 3.267 20 0 BGADLO CCOc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1 ZINC000389491503 356693521 /nfs/dbraw/zinc/69/35/21/356693521.db2.gz SQICYVLOLUAESG-JTQLQIEISA-N 1 2 243.297 3.219 20 0 BGADLO CCOc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1 ZINC000389491512 356693052 /nfs/dbraw/zinc/69/30/52/356693052.db2.gz SQICYVLOLUAESG-SNVBAGLBSA-N 1 2 243.297 3.219 20 0 BGADLO C[C@@H]([NH2+]C/C=C\c1ccccc1)C(C)(F)F ZINC000389491985 356693627 /nfs/dbraw/zinc/69/36/27/356693627.db2.gz TXRMXGQBQPTKMC-DHHDDZJSSA-N 1 2 225.282 3.333 20 0 BGADLO C[C@H]([NH2+]C/C=C/c1ccccc1)C(C)(F)F ZINC000389491986 356693332 /nfs/dbraw/zinc/69/33/32/356693332.db2.gz TXRMXGQBQPTKMC-LAHYYIKRSA-N 1 2 225.282 3.333 20 0 BGADLO C[C@@H]([NH2+]C/C=C/c1ccccc1)C(C)(F)F ZINC000389492000 356693717 /nfs/dbraw/zinc/69/37/17/356693717.db2.gz TXRMXGQBQPTKMC-OALRPVAKSA-N 1 2 225.282 3.333 20 0 BGADLO C[C@H]([NH2+]C/C=C\c1ccccc1)C(C)(F)F ZINC000389492004 356693557 /nfs/dbraw/zinc/69/35/57/356693557.db2.gz TXRMXGQBQPTKMC-WDDYJBPVSA-N 1 2 225.282 3.333 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)C(C)(F)F)ccc1F ZINC000389492593 356693487 /nfs/dbraw/zinc/69/34/87/356693487.db2.gz UTHYXKOUIPRSIC-SECBINFHSA-N 1 2 231.261 3.267 20 0 BGADLO Cc1cc(C[NH2+][C@@H](C)C(C)(F)F)ccc1F ZINC000389492594 356693382 /nfs/dbraw/zinc/69/33/82/356693382.db2.gz UTHYXKOUIPRSIC-VIFPVBQESA-N 1 2 231.261 3.267 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)C(C)(F)F)cc1F ZINC000389493568 356694552 /nfs/dbraw/zinc/69/45/52/356694552.db2.gz VPZCJQMGSMWTDD-SECBINFHSA-N 1 2 231.261 3.267 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)C(C)(F)F)cc1F ZINC000389493569 356694501 /nfs/dbraw/zinc/69/45/01/356694501.db2.gz VPZCJQMGSMWTDD-VIFPVBQESA-N 1 2 231.261 3.267 20 0 BGADLO Cc1cc(C[NH2+][C@@H](C)C(C)(F)F)cc(C)c1O ZINC000389493968 356693937 /nfs/dbraw/zinc/69/39/37/356693937.db2.gz WFLJPFPKJVPNMH-JTQLQIEISA-N 1 2 243.297 3.142 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)C(C)(F)F)cc(C)c1O ZINC000389493982 356694017 /nfs/dbraw/zinc/69/40/17/356694017.db2.gz WFLJPFPKJVPNMH-SNVBAGLBSA-N 1 2 243.297 3.142 20 0 BGADLO COc1cccc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)c1 ZINC000389494946 356694577 /nfs/dbraw/zinc/69/45/77/356694577.db2.gz XIQBOVDMYQSQCD-NXEZZACHSA-N 1 2 243.297 3.390 20 0 BGADLO COc1cccc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000389494947 356694560 /nfs/dbraw/zinc/69/45/60/356694560.db2.gz XIQBOVDMYQSQCD-UWVGGRQHSA-N 1 2 243.297 3.390 20 0 BGADLO COc1cccc([C@H](C)[NH2+][C@H](C)C(C)(F)F)c1 ZINC000389494948 356694637 /nfs/dbraw/zinc/69/46/37/356694637.db2.gz XIQBOVDMYQSQCD-VHSXEESVSA-N 1 2 243.297 3.390 20 0 BGADLO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000389494949 356694127 /nfs/dbraw/zinc/69/41/27/356694127.db2.gz XIQBOVDMYQSQCD-ZJUUUORDSA-N 1 2 243.297 3.390 20 0 BGADLO Cc1ccc(F)c(C[NH2+][C@H](C)C(C)(F)F)c1 ZINC000389495733 356692419 /nfs/dbraw/zinc/69/24/19/356692419.db2.gz YGKYSMACQPVFHR-SECBINFHSA-N 1 2 231.261 3.267 20 0 BGADLO Cc1ccc(F)c(C[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000389495735 356692073 /nfs/dbraw/zinc/69/20/73/356692073.db2.gz YGKYSMACQPVFHR-VIFPVBQESA-N 1 2 231.261 3.267 20 0 BGADLO COc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)cc1 ZINC000389496617 356691699 /nfs/dbraw/zinc/69/16/99/356691699.db2.gz YZFFOGHOLJTCIV-NXEZZACHSA-N 1 2 243.297 3.390 20 0 BGADLO COc1ccc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)cc1 ZINC000389496618 356691674 /nfs/dbraw/zinc/69/16/74/356691674.db2.gz YZFFOGHOLJTCIV-UWVGGRQHSA-N 1 2 243.297 3.390 20 0 BGADLO COc1ccc([C@H](C)[NH2+][C@H](C)C(C)(F)F)cc1 ZINC000389496621 356692468 /nfs/dbraw/zinc/69/24/68/356692468.db2.gz YZFFOGHOLJTCIV-VHSXEESVSA-N 1 2 243.297 3.390 20 0 BGADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)cc1 ZINC000389496627 356692409 /nfs/dbraw/zinc/69/24/09/356692409.db2.gz YZFFOGHOLJTCIV-ZJUUUORDSA-N 1 2 243.297 3.390 20 0 BGADLO CCOc1cccc(C[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000389496824 356691977 /nfs/dbraw/zinc/69/19/77/356691977.db2.gz ZGVNFVUSYFIHJT-JTQLQIEISA-N 1 2 243.297 3.219 20 0 BGADLO CCOc1cccc(C[NH2+][C@H](C)C(C)(F)F)c1 ZINC000389496825 356692478 /nfs/dbraw/zinc/69/24/78/356692478.db2.gz ZGVNFVUSYFIHJT-SNVBAGLBSA-N 1 2 243.297 3.219 20 0 BGADLO c1[nH]cc(NCCC2CCCCCC2)[nH+]1 ZINC000389628098 357006881 /nfs/dbraw/zinc/00/68/81/357006881.db2.gz LFKOQZQXKOXKBE-UHFFFAOYSA-N 1 2 207.321 3.182 20 0 BGADLO CCCOc1cc(C)[nH+]c2ccccc21 ZINC000389635283 357007035 /nfs/dbraw/zinc/00/70/35/357007035.db2.gz NVWKAGXGQXJSPI-UHFFFAOYSA-N 1 2 201.269 3.332 20 0 BGADLO CC(C)(C)[C@@H]([NH2+]C[Si](C)(C)C)C(F)(F)F ZINC000389842035 711092534 /nfs/dbraw/zinc/09/25/34/711092534.db2.gz KACOWTIOEHDXKF-MRVPVSSYSA-N 1 2 241.373 3.430 20 0 BGADLO CC(C)(C)[C@H]([NH2+]C[Si](C)(C)C)C(F)(F)F ZINC000389842038 711092409 /nfs/dbraw/zinc/09/24/09/711092409.db2.gz KACOWTIOEHDXKF-QMMMGPOBSA-N 1 2 241.373 3.430 20 0 BGADLO CC[C@@H]1CCC[C@@H](CNc2c[nH]c[nH+]2)C1 ZINC000389856296 357055396 /nfs/dbraw/zinc/05/53/96/357055396.db2.gz ABDPWLINBGCVJF-GHMZBOCLSA-N 1 2 207.321 3.038 20 0 BGADLO CC[C@@H]1CCC[C@H](CNc2c[nH]c[nH+]2)C1 ZINC000389856297 357055771 /nfs/dbraw/zinc/05/57/71/357055771.db2.gz ABDPWLINBGCVJF-MNOVXSKESA-N 1 2 207.321 3.038 20 0 BGADLO CC[C@H]1CCC[C@H](CNc2c[nH]c[nH+]2)C1 ZINC000389856298 357056112 /nfs/dbraw/zinc/05/61/12/357056112.db2.gz ABDPWLINBGCVJF-QWRGUYRKSA-N 1 2 207.321 3.038 20 0 BGADLO CC[C@H]1CCC[C@@H](CNc2c[nH]c[nH+]2)C1 ZINC000389856299 357056119 /nfs/dbraw/zinc/05/61/19/357056119.db2.gz ABDPWLINBGCVJF-WDEREUQCSA-N 1 2 207.321 3.038 20 0 BGADLO CC(C)(C)CNc1cc2cc[nH]c2c[nH+]1 ZINC000389868578 539017946 /nfs/dbraw/zinc/01/79/46/539017946.db2.gz ICPCQORLBFSKAU-UHFFFAOYSA-N 1 2 203.289 3.021 20 0 BGADLO CC(C)(C)[C@@H]([NH2+]C1CCCC1)C(F)(F)F ZINC000389870746 357057556 /nfs/dbraw/zinc/05/75/56/357057556.db2.gz JKCRMPILCGWEGF-SECBINFHSA-N 1 2 223.282 3.496 20 0 BGADLO CC(C)(C)[C@H]([NH2+]C1CCCC1)C(F)(F)F ZINC000389870747 357057320 /nfs/dbraw/zinc/05/73/20/357057320.db2.gz JKCRMPILCGWEGF-VIFPVBQESA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@H](C)CC1CCC1)C(F)(F)F ZINC000389875898 539017790 /nfs/dbraw/zinc/01/77/90/539017790.db2.gz LRZMFSOYSOBXJP-SCZZXKLOSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)CC1CCC1)C(F)(F)F ZINC000389875900 539018012 /nfs/dbraw/zinc/01/80/12/539018012.db2.gz LRZMFSOYSOBXJP-WPRPVWTQSA-N 1 2 223.282 3.496 20 0 BGADLO CC(C)[C@H]([NH2+][C@H](C)CC1CC1)C(F)(F)F ZINC000389878697 357058174 /nfs/dbraw/zinc/05/81/74/357058174.db2.gz NAEKCKCJVWVXAS-SCZZXKLOSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H](C)CC1CC1)C(F)(F)F ZINC000389878700 357058430 /nfs/dbraw/zinc/05/84/30/357058430.db2.gz NAEKCKCJVWVXAS-WPRPVWTQSA-N 1 2 223.282 3.352 20 0 BGADLO Clc1ccc(CNc2c[nH]c[nH+]2)c(Cl)c1 ZINC000389893062 357061500 /nfs/dbraw/zinc/06/15/00/357061500.db2.gz AVDSBFALGUKQOO-UHFFFAOYSA-N 1 2 242.109 3.329 20 0 BGADLO CCCC[C@@H]1CCC[C@H]1Nc1c[nH]c[nH+]1 ZINC000389894315 357061277 /nfs/dbraw/zinc/06/12/77/357061277.db2.gz XUEBBTSFOAUYND-GHMZBOCLSA-N 1 2 207.321 3.181 20 0 BGADLO CCCC[C@@H]1CCC[C@@H]1Nc1c[nH]c[nH+]1 ZINC000389894319 357061007 /nfs/dbraw/zinc/06/10/07/357061007.db2.gz XUEBBTSFOAUYND-MNOVXSKESA-N 1 2 207.321 3.181 20 0 BGADLO CCCC[C@H]1CCC[C@@H]1Nc1c[nH]c[nH+]1 ZINC000389894320 357061397 /nfs/dbraw/zinc/06/13/97/357061397.db2.gz XUEBBTSFOAUYND-QWRGUYRKSA-N 1 2 207.321 3.181 20 0 BGADLO CCCC[C@H]1CCC[C@H]1Nc1c[nH]c[nH+]1 ZINC000389894321 357061286 /nfs/dbraw/zinc/06/12/86/357061286.db2.gz XUEBBTSFOAUYND-WDEREUQCSA-N 1 2 207.321 3.181 20 0 BGADLO CC(C)C(C[NH2+][C@H](C)C(F)(F)F)C(C)C ZINC000389901389 358431600 /nfs/dbraw/zinc/43/16/00/358431600.db2.gz DHBFBSDGRYVSKV-SECBINFHSA-N 1 2 225.298 3.455 20 0 BGADLO CC(C)C(C[NH2+][C@@H](C)C(F)(F)F)C(C)C ZINC000389901390 357064959 /nfs/dbraw/zinc/06/49/59/357064959.db2.gz DHBFBSDGRYVSKV-VIFPVBQESA-N 1 2 225.298 3.455 20 0 BGADLO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000389901512 410019480 /nfs/dbraw/zinc/01/94/80/410019480.db2.gz CHIGMGHCTQCNSV-NXEZZACHSA-N 1 2 243.297 3.390 20 0 BGADLO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000389901513 410019295 /nfs/dbraw/zinc/01/92/95/410019295.db2.gz CHIGMGHCTQCNSV-UWVGGRQHSA-N 1 2 243.297 3.390 20 0 BGADLO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)C(F)F ZINC000389901514 410019378 /nfs/dbraw/zinc/01/93/78/410019378.db2.gz CHIGMGHCTQCNSV-VHSXEESVSA-N 1 2 243.297 3.390 20 0 BGADLO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000389901515 410019404 /nfs/dbraw/zinc/01/94/04/410019404.db2.gz CHIGMGHCTQCNSV-ZJUUUORDSA-N 1 2 243.297 3.390 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C(F)F ZINC000389903030 410019468 /nfs/dbraw/zinc/01/94/68/410019468.db2.gz DSTFAHITGXAJAE-SSDOTTSWSA-N 1 2 235.224 3.367 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C(F)F ZINC000389903032 410019325 /nfs/dbraw/zinc/01/93/25/410019325.db2.gz DSTFAHITGXAJAE-ZETCQYMHSA-N 1 2 235.224 3.367 20 0 BGADLO CCCOc1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000389905862 397997820 /nfs/dbraw/zinc/99/78/20/397997820.db2.gz GRNOGBBPOQKLEC-JTQLQIEISA-N 1 2 243.297 3.219 20 0 BGADLO CCCOc1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000389905863 398148513 /nfs/dbraw/zinc/14/85/13/398148513.db2.gz GRNOGBBPOQKLEC-SNVBAGLBSA-N 1 2 243.297 3.219 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@H](C)C(F)F)cs1 ZINC000389905886 398148526 /nfs/dbraw/zinc/14/85/26/398148526.db2.gz GTPGVINNFVULIT-HTQZYQBOSA-N 1 2 219.300 3.361 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@H](C)C(F)F)cs1 ZINC000389905887 398148503 /nfs/dbraw/zinc/14/85/03/398148503.db2.gz GTPGVINNFVULIT-JGVFFNPUSA-N 1 2 219.300 3.361 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)C(F)F)cs1 ZINC000389905888 398148577 /nfs/dbraw/zinc/14/85/77/398148577.db2.gz GTPGVINNFVULIT-SFYZADRCSA-N 1 2 219.300 3.361 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@@H](C)C(F)F)cs1 ZINC000389905889 398148520 /nfs/dbraw/zinc/14/85/20/398148520.db2.gz GTPGVINNFVULIT-YUMQZZPRSA-N 1 2 219.300 3.361 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cc(F)cc(F)c1 ZINC000389906494 398148694 /nfs/dbraw/zinc/14/86/94/398148694.db2.gz HCGFXBRCMDCDMJ-BQBZGAKWSA-N 1 2 235.224 3.269 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)C(F)F ZINC000389906495 398148570 /nfs/dbraw/zinc/14/85/70/398148570.db2.gz HCGFXBRCMDCDMJ-NKWVEPMBSA-N 1 2 235.224 3.269 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cc(F)cc(F)c1 ZINC000389906496 398148673 /nfs/dbraw/zinc/14/86/73/398148673.db2.gz HCGFXBRCMDCDMJ-RNFRBKRXSA-N 1 2 235.224 3.269 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cc(F)cc(F)c1 ZINC000389906497 398148487 /nfs/dbraw/zinc/14/84/87/398148487.db2.gz HCGFXBRCMDCDMJ-RQJHMYQMSA-N 1 2 235.224 3.269 20 0 BGADLO C[C@@H]([NH2+]Cc1cc2ccccc2o1)C(F)F ZINC000389907214 398148655 /nfs/dbraw/zinc/14/86/55/398148655.db2.gz HQDJJCVNNJDHBG-MRVPVSSYSA-N 1 2 225.238 3.176 20 0 BGADLO C[C@H]([NH2+]Cc1cc2ccccc2o1)C(F)F ZINC000389907215 398148603 /nfs/dbraw/zinc/14/86/03/398148603.db2.gz HQDJJCVNNJDHBG-QMMMGPOBSA-N 1 2 225.238 3.176 20 0 BGADLO CC[C@H]([NH2+][C@H](C)C(F)F)c1ccsc1 ZINC000389908052 398148473 /nfs/dbraw/zinc/14/84/73/398148473.db2.gz ICBCXSFGLRTTFP-APPZFPTMSA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)C(F)F)c1ccsc1 ZINC000389908054 398148552 /nfs/dbraw/zinc/14/85/52/398148552.db2.gz ICBCXSFGLRTTFP-CBAPKCEASA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)C(F)F)c1ccsc1 ZINC000389908056 398148532 /nfs/dbraw/zinc/14/85/32/398148532.db2.gz ICBCXSFGLRTTFP-IONNQARKSA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)C(F)F)c1ccsc1 ZINC000389908057 398148558 /nfs/dbraw/zinc/14/85/58/398148558.db2.gz ICBCXSFGLRTTFP-VXNVDRBHSA-N 1 2 219.300 3.442 20 0 BGADLO C[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(F)F ZINC000389908716 398148574 /nfs/dbraw/zinc/14/85/74/398148574.db2.gz CQUBHBLGAFIXER-LURJTMIESA-N 1 2 237.652 3.222 20 0 BGADLO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(F)F ZINC000389908718 398148561 /nfs/dbraw/zinc/14/85/61/398148561.db2.gz CQUBHBLGAFIXER-ZCFIWIBFSA-N 1 2 237.652 3.222 20 0 BGADLO CCCOc1cccc(C[NH2+][C@@H](C)C(F)F)c1 ZINC000389910834 398148629 /nfs/dbraw/zinc/14/86/29/398148629.db2.gz JTUTTWMZBSYRKK-JTQLQIEISA-N 1 2 243.297 3.219 20 0 BGADLO CCCOc1cccc(C[NH2+][C@H](C)C(F)F)c1 ZINC000389910835 398148612 /nfs/dbraw/zinc/14/86/12/398148612.db2.gz JTUTTWMZBSYRKK-SNVBAGLBSA-N 1 2 243.297 3.219 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)C(F)F)cc1C ZINC000389917681 398149511 /nfs/dbraw/zinc/14/95/11/398149511.db2.gz BDPPMMQYZTWQLZ-JTQLQIEISA-N 1 2 213.271 3.047 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)C(F)F)cc1C ZINC000389917693 397998169 /nfs/dbraw/zinc/99/81/69/397998169.db2.gz BDPPMMQYZTWQLZ-SNVBAGLBSA-N 1 2 213.271 3.047 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C(F)F ZINC000389917993 398149237 /nfs/dbraw/zinc/14/92/37/398149237.db2.gz BJBPRXIKQAHKRU-PELKAZGASA-N 1 2 241.281 3.013 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C(F)F ZINC000389917994 398149258 /nfs/dbraw/zinc/14/92/58/398149258.db2.gz BJBPRXIKQAHKRU-PRHODGIISA-N 1 2 241.281 3.013 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)C(F)F ZINC000389917995 398149254 /nfs/dbraw/zinc/14/92/54/398149254.db2.gz BJBPRXIKQAHKRU-QPUJVOFHSA-N 1 2 241.281 3.013 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)C(F)F ZINC000389917996 398149164 /nfs/dbraw/zinc/14/91/64/398149164.db2.gz BJBPRXIKQAHKRU-UFBFGSQYSA-N 1 2 241.281 3.013 20 0 BGADLO CSc1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000389920027 398149438 /nfs/dbraw/zinc/14/94/38/398149438.db2.gz PWRDOVRGZXEGOL-MRVPVSSYSA-N 1 2 231.311 3.152 20 0 BGADLO CSc1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000389920029 398149294 /nfs/dbraw/zinc/14/92/94/398149294.db2.gz PWRDOVRGZXEGOL-QMMMGPOBSA-N 1 2 231.311 3.152 20 0 BGADLO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000389921875 398149368 /nfs/dbraw/zinc/14/93/68/398149368.db2.gz RZJBMZSUVONWDV-NXEZZACHSA-N 1 2 243.297 3.308 20 0 BGADLO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000389921877 398149149 /nfs/dbraw/zinc/14/91/49/398149149.db2.gz RZJBMZSUVONWDV-UWVGGRQHSA-N 1 2 243.297 3.308 20 0 BGADLO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)C(F)F ZINC000389921879 398149529 /nfs/dbraw/zinc/14/95/29/398149529.db2.gz RZJBMZSUVONWDV-VHSXEESVSA-N 1 2 243.297 3.308 20 0 BGADLO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000389921880 398149287 /nfs/dbraw/zinc/14/92/87/398149287.db2.gz RZJBMZSUVONWDV-ZJUUUORDSA-N 1 2 243.297 3.308 20 0 BGADLO CC(C)Oc1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000389921895 398149143 /nfs/dbraw/zinc/14/91/43/398149143.db2.gz SALQXLJSQUOSAP-JTQLQIEISA-N 1 2 243.297 3.217 20 0 BGADLO CC(C)Oc1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000389921900 398149284 /nfs/dbraw/zinc/14/92/84/398149284.db2.gz SALQXLJSQUOSAP-SNVBAGLBSA-N 1 2 243.297 3.217 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)C(F)F)c(C)s1 ZINC000389924923 397998191 /nfs/dbraw/zinc/99/81/91/397998191.db2.gz BPSAWYQSUOGDEX-SSDOTTSWSA-N 1 2 219.300 3.108 20 0 BGADLO Cc1cc(C[NH2+][C@@H](C)C(F)F)c(C)s1 ZINC000389924924 398149158 /nfs/dbraw/zinc/14/91/58/398149158.db2.gz BPSAWYQSUOGDEX-ZETCQYMHSA-N 1 2 219.300 3.108 20 0 BGADLO CC(C)Oc1cccc(C[NH2+][C@@H](C)C(F)F)c1 ZINC000389926501 398149134 /nfs/dbraw/zinc/14/91/34/398149134.db2.gz WOLRECWERSZPOD-JTQLQIEISA-N 1 2 243.297 3.217 20 0 BGADLO CC(C)Oc1cccc(C[NH2+][C@H](C)C(F)F)c1 ZINC000389926502 398150262 /nfs/dbraw/zinc/15/02/62/398150262.db2.gz WOLRECWERSZPOD-SNVBAGLBSA-N 1 2 243.297 3.217 20 0 BGADLO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000389926692 398150191 /nfs/dbraw/zinc/15/01/91/398150191.db2.gz DPRAUDSQNHBALD-HTQZYQBOSA-N 1 2 219.300 3.361 20 0 BGADLO Cc1ccsc1[C@H](C)[NH2+][C@H](C)C(F)F ZINC000389926694 398150272 /nfs/dbraw/zinc/15/02/72/398150272.db2.gz DPRAUDSQNHBALD-JGVFFNPUSA-N 1 2 219.300 3.361 20 0 BGADLO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000389926696 398150231 /nfs/dbraw/zinc/15/02/31/398150231.db2.gz DPRAUDSQNHBALD-SFYZADRCSA-N 1 2 219.300 3.361 20 0 BGADLO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000389926697 398150322 /nfs/dbraw/zinc/15/03/22/398150322.db2.gz DPRAUDSQNHBALD-YUMQZZPRSA-N 1 2 219.300 3.361 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C(F)F ZINC000389930801 491121777 /nfs/dbraw/zinc/12/17/77/491121777.db2.gz DLHPKKHYLGZGPR-CPCISQLKSA-N 1 2 229.245 3.056 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)C(F)F ZINC000389930805 491121786 /nfs/dbraw/zinc/12/17/86/491121786.db2.gz DLHPKKHYLGZGPR-HQJQHLMTSA-N 1 2 229.245 3.056 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C(F)F ZINC000389930810 491121768 /nfs/dbraw/zinc/12/17/68/491121768.db2.gz DLHPKKHYLGZGPR-RDDDGLTNSA-N 1 2 229.245 3.056 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C(F)F ZINC000389930815 491121762 /nfs/dbraw/zinc/12/17/62/491121762.db2.gz DLHPKKHYLGZGPR-WRWORJQWSA-N 1 2 229.245 3.056 20 0 BGADLO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C(F)F)CC2 ZINC000389931606 490275248 /nfs/dbraw/zinc/27/52/48/490275248.db2.gz FFKBLWABEIEXMV-BXKDBHETSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C(F)F)CC2 ZINC000389931612 490275111 /nfs/dbraw/zinc/27/51/11/490275111.db2.gz FFKBLWABEIEXMV-CABZTGNLSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C(F)F)CC2 ZINC000389931615 490275140 /nfs/dbraw/zinc/27/51/40/490275140.db2.gz FFKBLWABEIEXMV-JOYOIKCWSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C(F)F)CC2 ZINC000389931618 490275182 /nfs/dbraw/zinc/27/51/82/490275182.db2.gz FFKBLWABEIEXMV-SKDRFNHKSA-N 1 2 225.282 3.226 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C(F)F ZINC000389932299 490275239 /nfs/dbraw/zinc/27/52/39/490275239.db2.gz FLRBWJVVAYFCOV-LURJTMIESA-N 1 2 237.652 3.222 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C(F)F ZINC000389932300 490275207 /nfs/dbraw/zinc/27/52/07/490275207.db2.gz FLRBWJVVAYFCOV-ZCFIWIBFSA-N 1 2 237.652 3.222 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccco1 ZINC000389933909 539018795 /nfs/dbraw/zinc/01/87/95/539018795.db2.gz MEYQTJGCHDFJMZ-PSASIEDQSA-N 1 2 215.243 3.118 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccco1 ZINC000389933910 539018717 /nfs/dbraw/zinc/01/87/17/539018717.db2.gz MEYQTJGCHDFJMZ-SCZZXKLOSA-N 1 2 215.243 3.118 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccco1 ZINC000389933911 539018994 /nfs/dbraw/zinc/01/89/94/539018994.db2.gz MEYQTJGCHDFJMZ-WCBMZHEXSA-N 1 2 215.243 3.118 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccco1 ZINC000389933912 539019123 /nfs/dbraw/zinc/01/91/23/539019123.db2.gz MEYQTJGCHDFJMZ-WPRPVWTQSA-N 1 2 215.243 3.118 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)C(F)F ZINC000389934445 398151307 /nfs/dbraw/zinc/15/13/07/398151307.db2.gz HREXYDQKIVJMBN-SECBINFHSA-N 1 2 225.282 3.307 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)C(F)F ZINC000389934446 398151261 /nfs/dbraw/zinc/15/12/61/398151261.db2.gz HREXYDQKIVJMBN-VIFPVBQESA-N 1 2 225.282 3.307 20 0 BGADLO COc1ccc(C[NH2+][C@H](C)C(F)F)cc1Cl ZINC000389935652 397999098 /nfs/dbraw/zinc/99/90/98/397999098.db2.gz INCGSWYPPOQKJL-SSDOTTSWSA-N 1 2 249.688 3.092 20 0 BGADLO COc1ccc(C[NH2+][C@@H](C)C(F)F)cc1Cl ZINC000389935654 398150842 /nfs/dbraw/zinc/15/08/42/398150842.db2.gz INCGSWYPPOQKJL-ZETCQYMHSA-N 1 2 249.688 3.092 20 0 BGADLO FC(F)C1([NH2+]Cc2cccs2)CCCC1 ZINC000389950392 537920750 /nfs/dbraw/zinc/92/07/50/537920750.db2.gz RXHUUZZLEFYDMU-UHFFFAOYSA-N 1 2 231.311 3.416 20 0 BGADLO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C(F)F ZINC000389950594 398150939 /nfs/dbraw/zinc/15/09/39/398150939.db2.gz SMOLMVLBFAPUCA-SSDOTTSWSA-N 1 2 248.342 3.184 20 0 BGADLO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C(F)F ZINC000389950595 398151063 /nfs/dbraw/zinc/15/10/63/398151063.db2.gz SMOLMVLBFAPUCA-ZETCQYMHSA-N 1 2 248.342 3.184 20 0 BGADLO COc1cc([C@@H](C)[NH2+][C@H](C)C(F)F)ccc1F ZINC000389954000 398151934 /nfs/dbraw/zinc/15/19/34/398151934.db2.gz VQAJEQAYSUJERZ-HTQZYQBOSA-N 1 2 247.260 3.139 20 0 BGADLO COc1cc([C@H](C)[NH2+][C@H](C)C(F)F)ccc1F ZINC000389954001 398152104 /nfs/dbraw/zinc/15/21/04/398152104.db2.gz VQAJEQAYSUJERZ-JGVFFNPUSA-N 1 2 247.260 3.139 20 0 BGADLO COc1cc([C@@H](C)[NH2+][C@@H](C)C(F)F)ccc1F ZINC000389954002 398152237 /nfs/dbraw/zinc/15/22/37/398152237.db2.gz VQAJEQAYSUJERZ-SFYZADRCSA-N 1 2 247.260 3.139 20 0 BGADLO COc1cc([C@H](C)[NH2+][C@@H](C)C(F)F)ccc1F ZINC000389954003 398152032 /nfs/dbraw/zinc/15/20/32/398152032.db2.gz VQAJEQAYSUJERZ-YUMQZZPRSA-N 1 2 247.260 3.139 20 0 BGADLO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)C(F)F ZINC000389954943 398152193 /nfs/dbraw/zinc/15/21/93/398152193.db2.gz WFAUUDSWOZNQQC-KBVBSXBZSA-N 1 2 225.282 3.478 20 0 BGADLO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)C(F)F ZINC000389954944 398152164 /nfs/dbraw/zinc/15/21/64/398152164.db2.gz WFAUUDSWOZNQQC-LNLATYFQSA-N 1 2 225.282 3.478 20 0 BGADLO C[C@H]([NH2+][C@H]1C[C@@H](C)c2ccccc21)C(F)F ZINC000389954945 398151915 /nfs/dbraw/zinc/15/19/15/398151915.db2.gz WFAUUDSWOZNQQC-PTRXPTGYSA-N 1 2 225.282 3.478 20 0 BGADLO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2ccccc21)C(F)F ZINC000389954946 398002977 /nfs/dbraw/zinc/00/29/77/398002977.db2.gz WFAUUDSWOZNQQC-VDDIYKPWSA-N 1 2 225.282 3.478 20 0 BGADLO CC(C)C[C@@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000389955810 357073885 /nfs/dbraw/zinc/07/38/85/357073885.db2.gz UJPIIYUNNVRDBK-PSASIEDQSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)C[C@@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000389955812 357073798 /nfs/dbraw/zinc/07/37/98/357073798.db2.gz UJPIIYUNNVRDBK-SCZZXKLOSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)C[C@H](C)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000389955813 357073731 /nfs/dbraw/zinc/07/37/31/357073731.db2.gz UJPIIYUNNVRDBK-WCBMZHEXSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)C[C@H](C)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000389955814 357073929 /nfs/dbraw/zinc/07/39/29/357073929.db2.gz UJPIIYUNNVRDBK-WPRPVWTQSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)C(F)F ZINC000389955819 398152124 /nfs/dbraw/zinc/15/21/24/398152124.db2.gz WRFFYMIZYWTXQC-CPCISQLKSA-N 1 2 229.245 3.056 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C(F)F ZINC000389955820 398152359 /nfs/dbraw/zinc/15/23/59/398152359.db2.gz WRFFYMIZYWTXQC-HQJQHLMTSA-N 1 2 229.245 3.056 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C(F)F ZINC000389955822 398152329 /nfs/dbraw/zinc/15/23/29/398152329.db2.gz WRFFYMIZYWTXQC-RDDDGLTNSA-N 1 2 229.245 3.056 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C(F)F ZINC000389955824 398152109 /nfs/dbraw/zinc/15/21/09/398152109.db2.gz WRFFYMIZYWTXQC-WRWORJQWSA-N 1 2 229.245 3.056 20 0 BGADLO C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)C(F)F ZINC000389955924 398151959 /nfs/dbraw/zinc/15/19/59/398151959.db2.gz WZRXNOZBATZRDV-SECBINFHSA-N 1 2 225.282 3.307 20 0 BGADLO C[C@H]([NH2+]Cc1cccc(C2CC2)c1)C(F)F ZINC000389955926 398152292 /nfs/dbraw/zinc/15/22/92/398152292.db2.gz WZRXNOZBATZRDV-VIFPVBQESA-N 1 2 225.282 3.307 20 0 BGADLO CC(C)(C)[C@@H]([NH2+]CCC1CC1)C(F)(F)F ZINC000389957884 357073218 /nfs/dbraw/zinc/07/32/18/357073218.db2.gz UXYIAZPEFPKJCX-SECBINFHSA-N 1 2 223.282 3.353 20 0 BGADLO CC(C)(C)[C@H]([NH2+]CCC1CC1)C(F)(F)F ZINC000389957887 357072821 /nfs/dbraw/zinc/07/28/21/357072821.db2.gz UXYIAZPEFPKJCX-VIFPVBQESA-N 1 2 223.282 3.353 20 0 BGADLO C[C@@H]([NH2+]Cc1ccccc1C1CC1)C(F)F ZINC000389959554 398152024 /nfs/dbraw/zinc/15/20/24/398152024.db2.gz ZAQFYMKJLGNBJH-SECBINFHSA-N 1 2 225.282 3.307 20 0 BGADLO C[C@H]([NH2+]Cc1ccccc1C1CC1)C(F)F ZINC000389959555 398152367 /nfs/dbraw/zinc/15/23/67/398152367.db2.gz ZAQFYMKJLGNBJH-VIFPVBQESA-N 1 2 225.282 3.307 20 0 BGADLO Cc1cccc(C[NH2+][C@@H](C)C(F)F)c1C ZINC000389960084 398152382 /nfs/dbraw/zinc/15/23/82/398152382.db2.gz HDRPEPPHGXEERA-JTQLQIEISA-N 1 2 213.271 3.047 20 0 BGADLO Cc1cccc(C[NH2+][C@H](C)C(F)F)c1C ZINC000389960085 398151983 /nfs/dbraw/zinc/15/19/83/398151983.db2.gz HDRPEPPHGXEERA-SNVBAGLBSA-N 1 2 213.271 3.047 20 0 BGADLO Cc1cc(C)cc(C[NH2+][C@@H](C)C(F)F)c1 ZINC000389961486 398152907 /nfs/dbraw/zinc/15/29/07/398152907.db2.gz INXGQDFORZFCRL-JTQLQIEISA-N 1 2 213.271 3.047 20 0 BGADLO Cc1cc(C)cc(C[NH2+][C@H](C)C(F)F)c1 ZINC000389961487 398153089 /nfs/dbraw/zinc/15/30/89/398153089.db2.gz INXGQDFORZFCRL-SNVBAGLBSA-N 1 2 213.271 3.047 20 0 BGADLO Cc1ccc(C)c(C[NH2+][C@@H](C)C(F)F)c1 ZINC000389965428 398153124 /nfs/dbraw/zinc/15/31/24/398153124.db2.gz MELHEJXJADKMKP-JTQLQIEISA-N 1 2 213.271 3.047 20 0 BGADLO Cc1ccc(C)c(C[NH2+][C@H](C)C(F)F)c1 ZINC000389965429 398153353 /nfs/dbraw/zinc/15/33/53/398153353.db2.gz MELHEJXJADKMKP-SNVBAGLBSA-N 1 2 213.271 3.047 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)C(F)F)c(C)c1 ZINC000389966975 398153061 /nfs/dbraw/zinc/15/30/61/398153061.db2.gz OEDOGJZKDIKOEN-JTQLQIEISA-N 1 2 213.271 3.047 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)C(F)F)c(C)c1 ZINC000389966976 398153310 /nfs/dbraw/zinc/15/33/10/398153310.db2.gz OEDOGJZKDIKOEN-SNVBAGLBSA-N 1 2 213.271 3.047 20 0 BGADLO C[C@@H](CCC1CCCC1)Nc1c[nH]c[nH+]1 ZINC000389980692 357078468 /nfs/dbraw/zinc/07/84/68/357078468.db2.gz IPNRBWXAMBZJAT-JTQLQIEISA-N 1 2 207.321 3.181 20 0 BGADLO C[C@H](CCC1CCCC1)Nc1c[nH]c[nH+]1 ZINC000389980693 357078124 /nfs/dbraw/zinc/07/81/24/357078124.db2.gz IPNRBWXAMBZJAT-SNVBAGLBSA-N 1 2 207.321 3.181 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)F)[C@@H]1CCC[C@@H](C)C1 ZINC000389980962 357078358 /nfs/dbraw/zinc/07/83/58/357078358.db2.gz IWBVFHZJHQLZFE-KXUCPTDWSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)F)[C@H]1CCC[C@@H](C)C1 ZINC000389980964 357078580 /nfs/dbraw/zinc/07/85/80/357078580.db2.gz IWBVFHZJHQLZFE-UTLUCORTSA-N 1 2 223.282 3.353 20 0 BGADLO CCc1cc(NC2CCC(F)(F)CC2)nc[nH+]1 ZINC000389985476 539019242 /nfs/dbraw/zinc/01/92/42/539019242.db2.gz CZHBKVRUYSMDLR-UHFFFAOYSA-N 1 2 241.285 3.029 20 0 BGADLO COc1ccc(NC2CCC(F)(F)CC2)[nH+]c1 ZINC000389989626 539019172 /nfs/dbraw/zinc/01/91/72/539019172.db2.gz FBOZDBVVDOTBET-UHFFFAOYSA-N 1 2 242.269 3.080 20 0 BGADLO COc1ccc[nH+]c1NC1CCC(F)(F)CC1 ZINC000390055558 398156439 /nfs/dbraw/zinc/15/64/39/398156439.db2.gz OAGFEFZHJKCFQB-UHFFFAOYSA-N 1 2 242.269 3.080 20 0 BGADLO CC(C)([NH2+]Cc1cnc(C2CC2)s1)C(F)F ZINC000390219331 539020475 /nfs/dbraw/zinc/02/04/75/539020475.db2.gz YNGWACLFSRDCFP-UHFFFAOYSA-N 1 2 246.326 3.154 20 0 BGADLO C[C@@H](CC1CCC1)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000390288691 539021192 /nfs/dbraw/zinc/02/11/92/539021192.db2.gz XWZOOOYGWJCUKT-GZMMTYOYSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@H](CC1CCC1)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000390288692 539020737 /nfs/dbraw/zinc/02/07/37/539020737.db2.gz XWZOOOYGWJCUKT-KCJUWKMLSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H](CC1CCC1)[NH2+][C@@H](C1CC1)C(F)(F)F ZINC000390288693 539021111 /nfs/dbraw/zinc/02/11/11/539021111.db2.gz XWZOOOYGWJCUKT-KWQFWETISA-N 1 2 235.293 3.496 20 0 BGADLO C[C@H](CC1CCC1)[NH2+][C@H](C1CC1)C(F)(F)F ZINC000390288694 539021001 /nfs/dbraw/zinc/02/10/01/539021001.db2.gz XWZOOOYGWJCUKT-LDYMZIIASA-N 1 2 235.293 3.496 20 0 BGADLO CC(C)CC[C@H]1CCC[C@@H]1Nc1c[nH]c[nH+]1 ZINC000390309462 357089554 /nfs/dbraw/zinc/08/95/54/357089554.db2.gz FLLLGJLSXNGSRY-NEPJUHHUSA-N 1 2 221.348 3.427 20 0 BGADLO CC(C)CC[C@@H]1CCC[C@H]1Nc1c[nH]c[nH+]1 ZINC000390309464 357089133 /nfs/dbraw/zinc/08/91/33/357089133.db2.gz FLLLGJLSXNGSRY-NWDGAFQWSA-N 1 2 221.348 3.427 20 0 BGADLO CC(C)CC[C@@H]1CCC[C@@H]1Nc1c[nH]c[nH+]1 ZINC000390309467 357089461 /nfs/dbraw/zinc/08/94/61/357089461.db2.gz FLLLGJLSXNGSRY-RYUDHWBXSA-N 1 2 221.348 3.427 20 0 BGADLO CC(C)CC[C@H]1CCC[C@H]1Nc1c[nH]c[nH+]1 ZINC000390309474 357089455 /nfs/dbraw/zinc/08/94/55/357089455.db2.gz FLLLGJLSXNGSRY-VXGBXAGGSA-N 1 2 221.348 3.427 20 0 BGADLO c1[nH]cc(NC2CCC3(CCCC3)CC2)[nH+]1 ZINC000390343738 357089902 /nfs/dbraw/zinc/08/99/02/357089902.db2.gz NPCDJRNGYLOYQR-UHFFFAOYSA-N 1 2 219.332 3.325 20 0 BGADLO C[C@@]1([NH2+]CC(F)F)CCCc2ccccc21 ZINC000390413968 371200098 /nfs/dbraw/zinc/20/00/98/371200098.db2.gz GJODFWBUKSMBBS-CYBMUJFWSA-N 1 2 225.282 3.093 20 0 BGADLO C[C@]1([NH2+]CC(F)F)CCCc2ccccc21 ZINC000390413972 371200130 /nfs/dbraw/zinc/20/01/30/371200130.db2.gz GJODFWBUKSMBBS-ZDUSSCGKSA-N 1 2 225.282 3.093 20 0 BGADLO Cc1ccccc1[C@H]([NH2+]CC(F)F)C1CC1 ZINC000390417805 539021783 /nfs/dbraw/zinc/02/17/83/539021783.db2.gz IDBYDULFYIMDRP-CYBMUJFWSA-N 1 2 225.282 3.301 20 0 BGADLO Cc1ccccc1[C@@H]([NH2+]CC(F)F)C1CC1 ZINC000390417807 539021691 /nfs/dbraw/zinc/02/16/91/539021691.db2.gz IDBYDULFYIMDRP-ZDUSSCGKSA-N 1 2 225.282 3.301 20 0 BGADLO CCc1cccc(Cl)c1CNc1c[nH]c[nH+]1 ZINC000390425729 356513504 /nfs/dbraw/zinc/51/35/04/356513504.db2.gz MFQZZTGHYPBUGH-UHFFFAOYSA-N 1 2 235.718 3.238 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccsc2)no1 ZINC000390437447 538866317 /nfs/dbraw/zinc/86/63/17/538866317.db2.gz SYCKSCQFCQOYIO-UWVGGRQHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccsc2)no1 ZINC000390437452 538866432 /nfs/dbraw/zinc/86/64/32/538866432.db2.gz SYCKSCQFCQOYIO-ZJUUUORDSA-N 1 2 236.340 3.456 20 0 BGADLO C[C@H]1C[C@@H]1CNc1c[nH+]c2c(c1)CCCC2 ZINC000390448022 259389264 /nfs/dbraw/zinc/38/92/64/259389264.db2.gz YHYHYCIFORFHGG-CMPLNLGQSA-N 1 2 216.328 3.028 20 0 BGADLO C[C@H]1C[C@H]1CNc1c[nH+]c2c(c1)CCCC2 ZINC000390448024 259389186 /nfs/dbraw/zinc/38/91/86/259389186.db2.gz YHYHYCIFORFHGG-JQWIXIFHSA-N 1 2 216.328 3.028 20 0 BGADLO C[C@@H]1C[C@H]1CNc1c[nH+]c2c(c1)CCCC2 ZINC000390448026 259389207 /nfs/dbraw/zinc/38/92/07/259389207.db2.gz YHYHYCIFORFHGG-PWSUYJOCSA-N 1 2 216.328 3.028 20 0 BGADLO C[C@@H]1C[C@@H]1CNc1c[nH+]c2c(c1)CCCC2 ZINC000390448028 259389213 /nfs/dbraw/zinc/38/92/13/259389213.db2.gz YHYHYCIFORFHGG-ZYHUDNBSSA-N 1 2 216.328 3.028 20 0 BGADLO Cc1cc([NH2+][C@H]2CC[C@@H]2C)ccc1N(C)C ZINC000390449740 711117942 /nfs/dbraw/zinc/11/79/42/711117942.db2.gz ZBSPXKLIJZXDAZ-GWCFXTLKSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc(N[C@H]2CC[C@@H]2C)ccc1[NH+](C)C ZINC000390449740 711117934 /nfs/dbraw/zinc/11/79/34/711117934.db2.gz ZBSPXKLIJZXDAZ-GWCFXTLKSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH2+][C@@H]2CC[C@@H]2C)ccc1N(C)C ZINC000390449741 711117794 /nfs/dbraw/zinc/11/77/94/711117794.db2.gz ZBSPXKLIJZXDAZ-GXFFZTMASA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@@H]2C)ccc1[NH+](C)C ZINC000390449741 711117792 /nfs/dbraw/zinc/11/77/92/711117792.db2.gz ZBSPXKLIJZXDAZ-GXFFZTMASA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH2+][C@H]2CC[C@H]2C)ccc1N(C)C ZINC000390449742 711117926 /nfs/dbraw/zinc/11/79/26/711117926.db2.gz ZBSPXKLIJZXDAZ-MFKMUULPSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc(N[C@H]2CC[C@H]2C)ccc1[NH+](C)C ZINC000390449742 711117922 /nfs/dbraw/zinc/11/79/22/711117922.db2.gz ZBSPXKLIJZXDAZ-MFKMUULPSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc([NH2+][C@@H]2CC[C@H]2C)ccc1N(C)C ZINC000390449743 711117656 /nfs/dbraw/zinc/11/76/56/711117656.db2.gz ZBSPXKLIJZXDAZ-ZWNOBZJWSA-N 1 2 218.344 3.271 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@H]2C)ccc1[NH+](C)C ZINC000390449743 711117651 /nfs/dbraw/zinc/11/76/51/711117651.db2.gz ZBSPXKLIJZXDAZ-ZWNOBZJWSA-N 1 2 218.344 3.271 20 0 BGADLO CCc1cc(N[C@@H](C)CCC2CC2)nc[nH+]1 ZINC000390487052 539022829 /nfs/dbraw/zinc/02/28/29/539022829.db2.gz OZRPSTISZSWGKI-JTQLQIEISA-N 1 2 219.332 3.030 20 0 BGADLO CCc1cc(N[C@H](C)CCC2CC2)nc[nH+]1 ZINC000390487061 539022512 /nfs/dbraw/zinc/02/25/12/539022512.db2.gz OZRPSTISZSWGKI-SNVBAGLBSA-N 1 2 219.332 3.030 20 0 BGADLO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)s1 ZINC000390497998 539022933 /nfs/dbraw/zinc/02/29/33/539022933.db2.gz STISQIHAAIFXOU-GMSGAONNSA-N 1 2 246.326 3.290 20 0 BGADLO Cc1ncc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)s1 ZINC000390498003 539022929 /nfs/dbraw/zinc/02/29/29/539022929.db2.gz STISQIHAAIFXOU-OIBJUYFYSA-N 1 2 246.326 3.290 20 0 BGADLO Cc1ncc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)s1 ZINC000390498005 539022670 /nfs/dbraw/zinc/02/26/70/539022670.db2.gz STISQIHAAIFXOU-XCBNKYQSSA-N 1 2 246.326 3.290 20 0 BGADLO Cc1ncc([C@H](C)[NH2+][C@H]2CCCC2(F)F)s1 ZINC000390498007 539022589 /nfs/dbraw/zinc/02/25/89/539022589.db2.gz STISQIHAAIFXOU-XVKPBYJWSA-N 1 2 246.326 3.290 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]C[C@@H]1C[C@H]1C ZINC000390512334 385352308 /nfs/dbraw/zinc/35/23/08/385352308.db2.gz BZRDNIGZCSCVNG-NEPJUHHUSA-N 1 2 219.328 3.462 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]C[C@H]1C[C@@H]1C ZINC000390512341 385353097 /nfs/dbraw/zinc/35/30/97/385353097.db2.gz BZRDNIGZCSCVNG-NWDGAFQWSA-N 1 2 219.328 3.462 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]C[C@@H]1C[C@@H]1C ZINC000390512344 385353671 /nfs/dbraw/zinc/35/36/71/385353671.db2.gz BZRDNIGZCSCVNG-RYUDHWBXSA-N 1 2 219.328 3.462 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]C[C@H]1C[C@H]1C ZINC000390512345 385352777 /nfs/dbraw/zinc/35/27/77/385352777.db2.gz BZRDNIGZCSCVNG-VXGBXAGGSA-N 1 2 219.328 3.462 20 0 BGADLO Cc1ccc(N[C@@H]2CCC23CCC3)c(C)[nH+]1 ZINC000390515453 488164533 /nfs/dbraw/zinc/16/45/33/488164533.db2.gz CUQXMEABIIGWIE-CYBMUJFWSA-N 1 2 216.328 3.443 20 0 BGADLO Cc1ccc(N[C@H]2CCC23CCC3)c(C)[nH+]1 ZINC000390515454 488164171 /nfs/dbraw/zinc/16/41/71/488164171.db2.gz CUQXMEABIIGWIE-ZDUSSCGKSA-N 1 2 216.328 3.443 20 0 BGADLO CCc1ccc(C[NH2+][C@@H]2CCCC2(F)F)o1 ZINC000390604637 539026418 /nfs/dbraw/zinc/02/64/18/539026418.db2.gz CHSJWHCDHMQVNX-LLVKDONJSA-N 1 2 229.270 3.119 20 0 BGADLO CCc1ccc(C[NH2+][C@H]2CCCC2(F)F)o1 ZINC000390604638 539026324 /nfs/dbraw/zinc/02/63/24/539026324.db2.gz CHSJWHCDHMQVNX-NSHDSACASA-N 1 2 229.270 3.119 20 0 BGADLO COc1ccc[nH+]c1N[C@@H]1CC=C(C)CC1 ZINC000390625585 539026568 /nfs/dbraw/zinc/02/65/68/539026568.db2.gz JRXXREVVEBHVMS-LLVKDONJSA-N 1 2 218.300 3.001 20 0 BGADLO COc1ccc[nH+]c1N[C@H]1CC=C(C)CC1 ZINC000390625587 539026822 /nfs/dbraw/zinc/02/68/22/539026822.db2.gz JRXXREVVEBHVMS-NSHDSACASA-N 1 2 218.300 3.001 20 0 BGADLO CCSCc1cc[nH+]c(NCC2(F)CC2)c1 ZINC000390634760 357109359 /nfs/dbraw/zinc/10/93/59/357109359.db2.gz LSKLQONPQISXFV-UHFFFAOYSA-N 1 2 240.347 3.249 20 0 BGADLO CSCCNc1[nH+]ccc2ccc(F)cc21 ZINC000390674675 371226130 /nfs/dbraw/zinc/22/61/30/371226130.db2.gz WVBHSFOMMZCAPU-UHFFFAOYSA-N 1 2 236.315 3.149 20 0 BGADLO CC[C@H](CNc1c[nH]c[nH+]1)c1ccccc1 ZINC000390778585 357116347 /nfs/dbraw/zinc/11/63/47/357116347.db2.gz HJPRTBPSMOCJNQ-LLVKDONJSA-N 1 2 215.300 3.015 20 0 BGADLO CC[C@@H](CNc1c[nH]c[nH+]1)c1ccccc1 ZINC000390778586 357116695 /nfs/dbraw/zinc/11/66/95/357116695.db2.gz HJPRTBPSMOCJNQ-NSHDSACASA-N 1 2 215.300 3.015 20 0 BGADLO Fc1cccc(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000390780466 539027339 /nfs/dbraw/zinc/02/73/39/539027339.db2.gz JJXCFBUGUUMOTR-LLVKDONJSA-N 1 2 229.245 3.103 20 0 BGADLO Fc1cccc(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000390780467 539027381 /nfs/dbraw/zinc/02/73/81/539027381.db2.gz JJXCFBUGUUMOTR-NSHDSACASA-N 1 2 229.245 3.103 20 0 BGADLO CCc1cccc(F)c1C[NH2+]CC(C)(F)F ZINC000393214328 357279467 /nfs/dbraw/zinc/27/94/67/357279467.db2.gz KVLWARGPIAEOCC-UHFFFAOYSA-N 1 2 231.261 3.133 20 0 BGADLO Cc1ccccc1C(C)(C)[NH2+]CC(F)F ZINC000393222880 410314305 /nfs/dbraw/zinc/31/43/05/410314305.db2.gz VVSJSAPWVSJKNJ-UHFFFAOYSA-N 1 2 213.271 3.085 20 0 BGADLO COc1ccc(C[NH2+]CC(C)(F)F)cc1Cl ZINC000393278380 357280744 /nfs/dbraw/zinc/28/07/44/357280744.db2.gz OEIPLTOITAJPEK-UHFFFAOYSA-N 1 2 249.688 3.093 20 0 BGADLO COc1ccc[nH+]c1NCC1(C2CC2)CCC1 ZINC000393315755 357280659 /nfs/dbraw/zinc/28/06/59/357280659.db2.gz OQUYDVKJMPGDKD-UHFFFAOYSA-N 1 2 232.327 3.082 20 0 BGADLO Cc1cccc([C@@H](C)[NH2+]CC(C)(F)F)c1 ZINC000393422255 410684246 /nfs/dbraw/zinc/68/42/46/410684246.db2.gz JQMKNYGZJWWWLK-SNVBAGLBSA-N 1 2 213.271 3.301 20 0 BGADLO CCC[C@H]([NH2+]CC(C)(F)F)c1ccccn1 ZINC000393430795 388429539 /nfs/dbraw/zinc/42/95/39/388429539.db2.gz PVECHHHMKSDMAN-JTQLQIEISA-N 1 2 228.286 3.168 20 0 BGADLO CCC[C@@H]([NH2+]CC(C)(F)F)c1ccccn1 ZINC000393430797 259703427 /nfs/dbraw/zinc/70/34/27/259703427.db2.gz PVECHHHMKSDMAN-SNVBAGLBSA-N 1 2 228.286 3.168 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccccc1F ZINC000393436241 343869617 /nfs/dbraw/zinc/86/96/17/343869617.db2.gz UWETXLQJYXIQOK-MRVPVSSYSA-N 1 2 217.234 3.132 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1ccccc1F ZINC000393436244 350215254 /nfs/dbraw/zinc/21/52/54/350215254.db2.gz UWETXLQJYXIQOK-QMMMGPOBSA-N 1 2 217.234 3.132 20 0 BGADLO CC(F)(F)C[NH2+]Cc1ccccc1C1CC1 ZINC000393440547 488065871 /nfs/dbraw/zinc/06/58/71/488065871.db2.gz NHDHAUJFSGGNJC-UHFFFAOYSA-N 1 2 225.282 3.309 20 0 BGADLO C[C@@H]1C[C@@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000393455310 357310554 /nfs/dbraw/zinc/31/05/54/357310554.db2.gz ZRYXXYPDDJNUCV-BXKDBHETSA-N 1 2 225.282 3.480 20 0 BGADLO C[C@H]1C[C@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000393455312 357310346 /nfs/dbraw/zinc/31/03/46/357310346.db2.gz ZRYXXYPDDJNUCV-CABZTGNLSA-N 1 2 225.282 3.480 20 0 BGADLO C[C@H]1C[C@@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000393455315 357310094 /nfs/dbraw/zinc/31/00/94/357310094.db2.gz ZRYXXYPDDJNUCV-JOYOIKCWSA-N 1 2 225.282 3.480 20 0 BGADLO C[C@@H]1C[C@H]([NH2+]CC(C)(F)F)c2ccccc21 ZINC000393455318 357309979 /nfs/dbraw/zinc/30/99/79/357309979.db2.gz ZRYXXYPDDJNUCV-SKDRFNHKSA-N 1 2 225.282 3.480 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000393457646 388430294 /nfs/dbraw/zinc/43/02/94/388430294.db2.gz FMGCLQAFHLQDPR-JLIMGVALSA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000393457648 388430800 /nfs/dbraw/zinc/43/08/00/388430800.db2.gz FMGCLQAFHLQDPR-JXUBOQSCSA-N 1 2 221.266 3.106 20 0 BGADLO CC(C)[C@@H]([NH2+]CC(C)(F)F)c1cccnc1 ZINC000393462107 357310116 /nfs/dbraw/zinc/31/01/16/357310116.db2.gz AOBDJJPTGFWHJE-LLVKDONJSA-N 1 2 228.286 3.024 20 0 BGADLO CC(C)[C@H]([NH2+]CC(C)(F)F)c1cccnc1 ZINC000393462108 357310507 /nfs/dbraw/zinc/31/05/07/357310507.db2.gz AOBDJJPTGFWHJE-NSHDSACASA-N 1 2 228.286 3.024 20 0 BGADLO CC(C)Cc1ncc(C[NH2+]CC(C)(F)F)s1 ZINC000393471104 386200634 /nfs/dbraw/zinc/20/06/34/386200634.db2.gz KHDATESZMDGPNB-UHFFFAOYSA-N 1 2 248.342 3.086 20 0 BGADLO Cc1cc(Cl)cc(C[NH2+]CC(C)(F)F)c1 ZINC000393477201 357311011 /nfs/dbraw/zinc/31/10/11/357311011.db2.gz GZXQLGDILQZYDH-UHFFFAOYSA-N 1 2 233.689 3.393 20 0 BGADLO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC(C)(F)F ZINC000393493967 711160511 /nfs/dbraw/zinc/16/05/11/711160511.db2.gz QUPUECKEOYOQMU-SECBINFHSA-N 1 2 231.261 3.440 20 0 BGADLO Cc1cc(F)ccc1[C@H](C)[NH2+]CC(C)(F)F ZINC000393493973 711160087 /nfs/dbraw/zinc/16/00/87/711160087.db2.gz QUPUECKEOYOQMU-VIFPVBQESA-N 1 2 231.261 3.440 20 0 BGADLO CCC[C@@H]([NH2+]CC(C)(F)F)c1cccnc1 ZINC000393497339 357285642 /nfs/dbraw/zinc/28/56/42/357285642.db2.gz WRKUWWJDCSSUBN-LLVKDONJSA-N 1 2 228.286 3.168 20 0 BGADLO CCC[C@H]([NH2+]CC(C)(F)F)c1cccnc1 ZINC000393497341 357285620 /nfs/dbraw/zinc/28/56/20/357285620.db2.gz WRKUWWJDCSSUBN-NSHDSACASA-N 1 2 228.286 3.168 20 0 BGADLO CC(F)(F)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000393506335 357285040 /nfs/dbraw/zinc/28/50/40/357285040.db2.gz HUOJCIWLSVLCIP-UHFFFAOYSA-N 1 2 237.652 3.224 20 0 BGADLO Cc1ccc(C[NH2+]CC(C)(F)F)c(C)c1 ZINC000393506543 357285002 /nfs/dbraw/zinc/28/50/02/357285002.db2.gz WCIIGURANOBGKN-UHFFFAOYSA-N 1 2 213.271 3.048 20 0 BGADLO Cc1nc2c(s1)[C@H]([NH2+]CC(C)(F)F)CCC2 ZINC000393512758 259427676 /nfs/dbraw/zinc/42/76/76/259427676.db2.gz YSIUGFARNPAQJV-MRVPVSSYSA-N 1 2 246.326 3.074 20 0 BGADLO Cc1nc2c(s1)[C@@H]([NH2+]CC(C)(F)F)CCC2 ZINC000393512760 386307280 /nfs/dbraw/zinc/30/72/80/386307280.db2.gz YSIUGFARNPAQJV-QMMMGPOBSA-N 1 2 246.326 3.074 20 0 BGADLO Cc1cc(C)c(C[NH2+]CC(C)(F)F)c(C)c1 ZINC000393514958 357286373 /nfs/dbraw/zinc/28/63/73/357286373.db2.gz ZZCSCOKWRFHNBB-UHFFFAOYSA-N 1 2 227.298 3.357 20 0 BGADLO CC(F)(F)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000393517273 357286278 /nfs/dbraw/zinc/28/62/78/357286278.db2.gz LSHQFJNDVRERQZ-UHFFFAOYSA-N 1 2 240.175 3.168 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@@H]2C(C)C)c[nH+]1 ZINC000393606447 582817839 /nfs/dbraw/zinc/81/78/39/582817839.db2.gz HHUWCBGPIMMSOC-CHWSQXEVSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@@H]2C(C)C)c[nH+]1 ZINC000393606451 582818413 /nfs/dbraw/zinc/81/84/13/582818413.db2.gz HHUWCBGPIMMSOC-OLZOCXBDSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@H]2C(C)C)c[nH+]1 ZINC000393606454 582818002 /nfs/dbraw/zinc/81/80/02/582818002.db2.gz HHUWCBGPIMMSOC-QWHCGFSZSA-N 1 2 204.317 3.237 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@H]2C(C)C)c[nH+]1 ZINC000393606458 582818243 /nfs/dbraw/zinc/81/82/43/582818243.db2.gz HHUWCBGPIMMSOC-STQMWFEESA-N 1 2 204.317 3.237 20 0 BGADLO CC[C@H]([NH2+][C@@H](C(C)C)C(F)(F)F)C1CC1 ZINC000393624412 259377467 /nfs/dbraw/zinc/37/74/67/259377467.db2.gz QHOSVECGZODYKB-UWVGGRQHSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C(C)C)C(F)(F)F)C1CC1 ZINC000393624414 259377582 /nfs/dbraw/zinc/37/75/82/259377582.db2.gz QHOSVECGZODYKB-ZJUUUORDSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C(F)(F)F ZINC000393624527 259377442 /nfs/dbraw/zinc/37/74/42/259377442.db2.gz RGQKAZWLVWRSHI-HLTSFMKQSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C(F)(F)F ZINC000393624528 259377474 /nfs/dbraw/zinc/37/74/74/259377474.db2.gz RGQKAZWLVWRSHI-IWSPIJDZSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(F)(F)F ZINC000393624530 259377520 /nfs/dbraw/zinc/37/75/20/259377520.db2.gz RGQKAZWLVWRSHI-QCLAVDOMSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(F)(F)F ZINC000393624532 259377427 /nfs/dbraw/zinc/37/74/27/259377427.db2.gz RGQKAZWLVWRSHI-RGOKHQFPSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccoc1 ZINC000393625450 711167115 /nfs/dbraw/zinc/16/71/15/711167115.db2.gz APQDCSLOYSMOJG-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccoc1 ZINC000393625451 711167106 /nfs/dbraw/zinc/16/71/06/711167106.db2.gz APQDCSLOYSMOJG-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(F)(F)F ZINC000393626235 259378165 /nfs/dbraw/zinc/37/81/65/259378165.db2.gz YKBCAJLYWCRSRO-AEJSXWLSSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(F)(F)F ZINC000393626237 259378180 /nfs/dbraw/zinc/37/81/80/259378180.db2.gz YKBCAJLYWCRSRO-BBBLOLIVSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(F)(F)F ZINC000393626239 259378040 /nfs/dbraw/zinc/37/80/40/259378040.db2.gz YKBCAJLYWCRSRO-GUBZILKMSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1CCC[C@H]1C)C(F)(F)F ZINC000393626241 259707280 /nfs/dbraw/zinc/70/72/80/259707280.db2.gz YKBCAJLYWCRSRO-UTLUCORTSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+]C1CCCC1)C(F)(F)F ZINC000393655998 386998964 /nfs/dbraw/zinc/99/89/64/386998964.db2.gz HRQVAKITPMVWIP-VIFPVBQESA-N 1 2 209.255 3.106 20 0 BGADLO CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C(F)(F)F)C1 ZINC000393657413 259354820 /nfs/dbraw/zinc/35/48/20/259354820.db2.gz VMISKVVZISKRDD-AEJSXWLSSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C(F)(F)F)C1 ZINC000393657414 388437180 /nfs/dbraw/zinc/43/71/80/388437180.db2.gz VMISKVVZISKRDD-BBBLOLIVSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1 ZINC000393657422 388437388 /nfs/dbraw/zinc/43/73/88/388437388.db2.gz VMISKVVZISKRDD-IVZWLZJFSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C(F)(F)F)C1 ZINC000393657425 388437312 /nfs/dbraw/zinc/43/73/12/388437312.db2.gz VMISKVVZISKRDD-OPRDCNLKSA-N 1 2 223.282 3.496 20 0 BGADLO CCCCC[NH2+][C@](C)(CC)C(F)(F)F ZINC000393684887 345423397 /nfs/dbraw/zinc/42/33/97/345423397.db2.gz NIVGQELCAPVFGK-SECBINFHSA-N 1 2 211.271 3.497 20 0 BGADLO CCCCC[NH2+][C@@](C)(CC)C(F)(F)F ZINC000393684888 357292501 /nfs/dbraw/zinc/29/25/01/357292501.db2.gz NIVGQELCAPVFGK-VIFPVBQESA-N 1 2 211.271 3.497 20 0 BGADLO CC1=C(C)C[N@@H+](C/C(Cl)=C\Cl)CC1 ZINC000393712470 711171100 /nfs/dbraw/zinc/17/11/00/711171100.db2.gz DEZZNASXHLNXSI-BJMVGYQFSA-N 1 2 220.143 3.348 20 0 BGADLO CC1=C(C)C[N@H+](C/C(Cl)=C\Cl)CC1 ZINC000393712470 711171097 /nfs/dbraw/zinc/17/10/97/711171097.db2.gz DEZZNASXHLNXSI-BJMVGYQFSA-N 1 2 220.143 3.348 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000393774180 388442110 /nfs/dbraw/zinc/44/21/10/388442110.db2.gz DCIOOWGRBGCXNL-BDAKNGLRSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000393774182 388442375 /nfs/dbraw/zinc/44/23/75/388442375.db2.gz DCIOOWGRBGCXNL-DTWKUNHWSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000393774183 388441876 /nfs/dbraw/zinc/44/18/76/388441876.db2.gz DCIOOWGRBGCXNL-IUCAKERBSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(F)(F)F ZINC000393774185 388441900 /nfs/dbraw/zinc/44/19/00/388441900.db2.gz DCIOOWGRBGCXNL-RKDXNWHRSA-N 1 2 223.282 3.496 20 0 BGADLO CC(F)(F)C[NH2+]Cc1ccccc1Cl ZINC000393907795 357306402 /nfs/dbraw/zinc/30/64/02/357306402.db2.gz JHVMEOXAPUFMAI-UHFFFAOYSA-N 1 2 219.662 3.085 20 0 BGADLO CC(F)(F)C[NH2+]Cc1cc2ccccc2o1 ZINC000393914279 344003148 /nfs/dbraw/zinc/00/31/48/344003148.db2.gz CLKCCNULLOBCMZ-UHFFFAOYSA-N 1 2 225.238 3.178 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000393930575 357320192 /nfs/dbraw/zinc/32/01/92/357320192.db2.gz WWGGQQUJZQOJSE-JTQLQIEISA-N 1 2 213.271 3.301 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000393930578 357320136 /nfs/dbraw/zinc/32/01/36/357320136.db2.gz WWGGQQUJZQOJSE-SNVBAGLBSA-N 1 2 213.271 3.301 20 0 BGADLO CC(F)(F)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000393934760 388446949 /nfs/dbraw/zinc/44/69/49/388446949.db2.gz PJOAMXGTAYKITJ-GFCCVEGCSA-N 1 2 225.282 3.383 20 0 BGADLO CC(F)(F)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000393934764 388447518 /nfs/dbraw/zinc/44/75/18/388447518.db2.gz PJOAMXGTAYKITJ-LBPRGKRZSA-N 1 2 225.282 3.383 20 0 BGADLO CC(F)(F)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000393946516 357321204 /nfs/dbraw/zinc/32/12/04/357321204.db2.gz QMBQMPFKDQDVJN-UHFFFAOYSA-N 1 2 237.652 3.224 20 0 BGADLO Cc1cccc(C[NH2+]CC(C)(F)F)c1C ZINC000393963157 363545621 /nfs/dbraw/zinc/54/56/21/363545621.db2.gz JOPVQCFOGDCIEZ-UHFFFAOYSA-N 1 2 213.271 3.048 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(OC)c1 ZINC000394154418 711185890 /nfs/dbraw/zinc/18/58/90/711185890.db2.gz OTZFYLQMOFLBHS-CYZMBNFOSA-N 1 2 247.338 3.304 20 0 BGADLO COc1ccccc1[C@@H](C)[NH2+]CC(C)(F)F ZINC000394422571 357355992 /nfs/dbraw/zinc/35/59/92/357355992.db2.gz SAJHFNPKBNUMOV-SECBINFHSA-N 1 2 229.270 3.001 20 0 BGADLO COc1ccccc1[C@H](C)[NH2+]CC(C)(F)F ZINC000394422574 357355641 /nfs/dbraw/zinc/35/56/41/357355641.db2.gz SAJHFNPKBNUMOV-VIFPVBQESA-N 1 2 229.270 3.001 20 0 BGADLO COc1cc(C)ccc1[NH2+]CCC1CCOCC1 ZINC000394930352 323176732 /nfs/dbraw/zinc/17/67/32/323176732.db2.gz UZMNSPRSHNVTKV-UHFFFAOYSA-N 1 2 249.354 3.232 20 0 BGADLO CC1(C)CC(Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000395213302 323221669 /nfs/dbraw/zinc/22/16/69/323221669.db2.gz NDCIYPIMXAOVJZ-UHFFFAOYSA-N 1 2 241.338 3.473 20 0 BGADLO CC1(C)CC([NH2+]c2ccc(-n3cccn3)cc2)C1 ZINC000395217779 386752057 /nfs/dbraw/zinc/75/20/57/386752057.db2.gz PENMYUIANHMEPH-UHFFFAOYSA-N 1 2 241.338 3.473 20 0 BGADLO COc1ccc([NH2+]C2CC(C)(C)C2)c(OC)c1 ZINC000395291695 711207203 /nfs/dbraw/zinc/20/72/03/711207203.db2.gz KTANKFOGOPYCDQ-UHFFFAOYSA-N 1 2 235.327 3.304 20 0 BGADLO CC1(C)CC(Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000395308316 386812197 /nfs/dbraw/zinc/81/21/97/386812197.db2.gz WDUPIGQVJJOWNT-UHFFFAOYSA-N 1 2 245.370 3.282 20 0 BGADLO c1cn(Cc2nc(-c3ccccc3)cs2)c[nH+]1 ZINC000395554193 387023171 /nfs/dbraw/zinc/02/31/71/387023171.db2.gz CLBACEGQHWJDGM-UHFFFAOYSA-N 1 2 241.319 3.055 20 0 BGADLO CCC(C)(C)c1csc(Cn2cc[nH+]c2)n1 ZINC000395560754 487862462 /nfs/dbraw/zinc/86/24/62/487862462.db2.gz FYXFPLBDJMQUKO-UHFFFAOYSA-N 1 2 235.356 3.076 20 0 BGADLO Cc1cc(N[C@@H]2CC23CCCC3)nc(C(C)C)[nH+]1 ZINC000395656851 323235802 /nfs/dbraw/zinc/23/58/02/323235802.db2.gz VWPNAKMXMGSYDS-GFCCVEGCSA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N[C@H]2CC23CCCC3)nc(C(C)C)[nH+]1 ZINC000395656857 323235794 /nfs/dbraw/zinc/23/57/94/323235794.db2.gz VWPNAKMXMGSYDS-LBPRGKRZSA-N 1 2 245.370 3.075 20 0 BGADLO CC[N@@H+](CCC1(O)CCC1)c1cccc(C)c1 ZINC000396914725 387513711 /nfs/dbraw/zinc/51/37/11/387513711.db2.gz MNUKRFQXUJCYOJ-UHFFFAOYSA-N 1 2 233.355 3.126 20 0 BGADLO CC[N@H+](CCC1(O)CCC1)c1cccc(C)c1 ZINC000396914725 387513707 /nfs/dbraw/zinc/51/37/07/387513707.db2.gz MNUKRFQXUJCYOJ-UHFFFAOYSA-N 1 2 233.355 3.126 20 0 BGADLO CC[N@@H+](CCC1(O)CCC1)c1ccccc1C ZINC000396926311 387517702 /nfs/dbraw/zinc/51/77/02/387517702.db2.gz VAFXBONUIRTICM-UHFFFAOYSA-N 1 2 233.355 3.126 20 0 BGADLO CC[N@H+](CCC1(O)CCC1)c1ccccc1C ZINC000396926311 387517699 /nfs/dbraw/zinc/51/76/99/387517699.db2.gz VAFXBONUIRTICM-UHFFFAOYSA-N 1 2 233.355 3.126 20 0 BGADLO COc1ccc[nH+]c1NC[C@H](C)CC(F)(F)F ZINC000396931271 357487003 /nfs/dbraw/zinc/48/70/03/357487003.db2.gz AEVDMYWFURSVKB-MRVPVSSYSA-N 1 2 248.248 3.091 20 0 BGADLO COc1ccc[nH+]c1NC[C@@H](C)CC(F)(F)F ZINC000396931273 357486841 /nfs/dbraw/zinc/48/68/41/357486841.db2.gz AEVDMYWFURSVKB-QMMMGPOBSA-N 1 2 248.248 3.091 20 0 BGADLO Cc1cc(C)c(C[NH2+][C@H](C)c2cscn2)cn1 ZINC000396985700 357487825 /nfs/dbraw/zinc/48/78/25/357487825.db2.gz RHNJYGUKTHJTJC-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cc(C)c(C[NH2+][C@@H](C)c2cscn2)cn1 ZINC000396985702 357487468 /nfs/dbraw/zinc/48/74/68/357487468.db2.gz RHNJYGUKTHJTJC-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO CC[C@H](Cn1c[nH+]c2cc(C)c(C)cc21)OC ZINC000397019261 387532091 /nfs/dbraw/zinc/53/20/91/387532091.db2.gz KXQDBUGBLOUACR-GFCCVEGCSA-N 1 2 232.327 3.078 20 0 BGADLO CC[C@@H](Cn1c[nH+]c2cc(C)c(C)cc21)OC ZINC000397019267 387532359 /nfs/dbraw/zinc/53/23/59/387532359.db2.gz KXQDBUGBLOUACR-LBPRGKRZSA-N 1 2 232.327 3.078 20 0 BGADLO C[C@@H](CNc1cccc[nH+]1)CC(F)(F)F ZINC000397030355 387534693 /nfs/dbraw/zinc/53/46/93/387534693.db2.gz XNLNOFFSSNEUPO-MRVPVSSYSA-N 1 2 218.222 3.082 20 0 BGADLO C[C@H](CNc1cccc[nH+]1)CC(F)(F)F ZINC000397030358 518182316 /nfs/dbraw/zinc/18/23/16/518182316.db2.gz XNLNOFFSSNEUPO-QMMMGPOBSA-N 1 2 218.222 3.082 20 0 BGADLO CC(C)Cc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000397748818 583167833 /nfs/dbraw/zinc/16/78/33/583167833.db2.gz AKGMKGKYUCCCSJ-UHFFFAOYSA-N 1 2 244.338 3.163 20 0 BGADLO FC(F)(F)c1cc[nH+]c(N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397813620 388501878 /nfs/dbraw/zinc/50/18/78/388501878.db2.gz KACKXXRAAMGFRM-DIYOJNKTSA-N 1 2 242.244 3.311 20 0 BGADLO CC[C@@H]([NH2+]Cc1cocn1)c1ccccc1F ZINC000397971439 488175655 /nfs/dbraw/zinc/17/56/55/488175655.db2.gz MSSBEACSYOVYCB-CYBMUJFWSA-N 1 2 234.274 3.055 20 0 BGADLO CC[C@H]([NH2+]Cc1cocn1)c1ccccc1F ZINC000397971450 488175849 /nfs/dbraw/zinc/17/58/49/488175849.db2.gz MSSBEACSYOVYCB-ZDUSSCGKSA-N 1 2 234.274 3.055 20 0 BGADLO FC1(F)CCC[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000397977462 583114731 /nfs/dbraw/zinc/11/47/31/583114731.db2.gz DGYMQDQKTSRELF-CMPLNLGQSA-N 1 2 241.281 3.434 20 0 BGADLO FC1(F)CCC[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000397977464 583114972 /nfs/dbraw/zinc/11/49/72/583114972.db2.gz DGYMQDQKTSRELF-JQWIXIFHSA-N 1 2 241.281 3.434 20 0 BGADLO FC1(F)CCC[C@@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000397977466 583115187 /nfs/dbraw/zinc/11/51/87/583115187.db2.gz DGYMQDQKTSRELF-PWSUYJOCSA-N 1 2 241.281 3.434 20 0 BGADLO FC1(F)CCC[C@H]1[NH2+][C@@H]1CCCc2occc21 ZINC000397977467 583115030 /nfs/dbraw/zinc/11/50/30/583115030.db2.gz DGYMQDQKTSRELF-ZYHUDNBSSA-N 1 2 241.281 3.434 20 0 BGADLO CC[C@@H]([NH2+]Cc1cocn1)c1cccc(F)c1 ZINC000397987138 634234996 /nfs/dbraw/zinc/23/49/96/634234996.db2.gz VHMLSDYEIOQBQG-CYBMUJFWSA-N 1 2 234.274 3.055 20 0 BGADLO CC[C@H]([NH2+]Cc1cocn1)c1cccc(F)c1 ZINC000397987139 634236436 /nfs/dbraw/zinc/23/64/36/634236436.db2.gz VHMLSDYEIOQBQG-ZDUSSCGKSA-N 1 2 234.274 3.055 20 0 BGADLO FC1(F)CCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000397999221 583115584 /nfs/dbraw/zinc/11/55/84/583115584.db2.gz MJAFDYAIIZASRE-CHWSQXEVSA-N 1 2 237.293 3.451 20 0 BGADLO FC1(F)CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000397999222 583115756 /nfs/dbraw/zinc/11/57/56/583115756.db2.gz MJAFDYAIIZASRE-OLZOCXBDSA-N 1 2 237.293 3.451 20 0 BGADLO FC1(F)CCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000397999223 583115862 /nfs/dbraw/zinc/11/58/62/583115862.db2.gz MJAFDYAIIZASRE-QWHCGFSZSA-N 1 2 237.293 3.451 20 0 BGADLO FC1(F)CCC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000397999224 583115618 /nfs/dbraw/zinc/11/56/18/583115618.db2.gz MJAFDYAIIZASRE-STQMWFEESA-N 1 2 237.293 3.451 20 0 BGADLO Fc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1F ZINC000398049688 583118108 /nfs/dbraw/zinc/11/81/08/583118108.db2.gz XCEAJEVHSYCTQA-LLVKDONJSA-N 1 2 247.235 3.242 20 0 BGADLO Fc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1F ZINC000398049689 583118605 /nfs/dbraw/zinc/11/86/05/583118605.db2.gz XCEAJEVHSYCTQA-NSHDSACASA-N 1 2 247.235 3.242 20 0 BGADLO Cc1cc(C[NH2+][C@H]2CCCC2(F)F)cs1 ZINC000398063402 410940673 /nfs/dbraw/zinc/94/06/73/410940673.db2.gz NFLLKUXSRKAQJF-JTQLQIEISA-N 1 2 231.311 3.334 20 0 BGADLO Cc1cc(C[NH2+][C@@H]2CCCC2(F)F)cs1 ZINC000398063405 410939991 /nfs/dbraw/zinc/93/99/91/410939991.db2.gz NFLLKUXSRKAQJF-SNVBAGLBSA-N 1 2 231.311 3.334 20 0 BGADLO Cc1cccc(C[NH2+][C@@H]2CCCC2(F)F)c1F ZINC000398079883 410939769 /nfs/dbraw/zinc/93/97/69/410939769.db2.gz GMXOHGCAPODMGO-LLVKDONJSA-N 1 2 243.272 3.412 20 0 BGADLO Cc1cccc(C[NH2+][C@H]2CCCC2(F)F)c1F ZINC000398079885 410940978 /nfs/dbraw/zinc/94/09/78/410940978.db2.gz GMXOHGCAPODMGO-NSHDSACASA-N 1 2 243.272 3.412 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCC1(F)F)c1cncc(F)c1 ZINC000398082474 583119460 /nfs/dbraw/zinc/11/94/60/583119460.db2.gz HENCQGPPJLKBOU-GZMMTYOYSA-N 1 2 244.260 3.059 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCC1(F)F)c1cncc(F)c1 ZINC000398082476 583119727 /nfs/dbraw/zinc/11/97/27/583119727.db2.gz HENCQGPPJLKBOU-KCJUWKMLSA-N 1 2 244.260 3.059 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCC1(F)F)c1cncc(F)c1 ZINC000398082477 583119509 /nfs/dbraw/zinc/11/95/09/583119509.db2.gz HENCQGPPJLKBOU-KWQFWETISA-N 1 2 244.260 3.059 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1cncc(F)c1 ZINC000398082480 583119559 /nfs/dbraw/zinc/11/95/59/583119559.db2.gz HENCQGPPJLKBOU-LDYMZIIASA-N 1 2 244.260 3.059 20 0 BGADLO FC1(F)CCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000398168616 583122245 /nfs/dbraw/zinc/12/22/45/583122245.db2.gz FABRFUGCIIVUKK-DMTLFAOVSA-N 1 2 237.293 3.477 20 0 BGADLO FC1(F)CCC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000398168624 583122267 /nfs/dbraw/zinc/12/22/67/583122267.db2.gz FABRFUGCIIVUKK-LJLILKBBSA-N 1 2 237.293 3.477 20 0 BGADLO FC1(F)CCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000398168630 583122160 /nfs/dbraw/zinc/12/21/60/583122160.db2.gz FABRFUGCIIVUKK-OQHXTRMZSA-N 1 2 237.293 3.477 20 0 BGADLO FC1(F)CCC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000398168638 583121886 /nfs/dbraw/zinc/12/18/86/583121886.db2.gz FABRFUGCIIVUKK-UJZCVKTISA-N 1 2 237.293 3.477 20 0 BGADLO Cc1ccc(F)c(C[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000398177234 583123214 /nfs/dbraw/zinc/12/32/14/583123214.db2.gz GTUWJJUFYVFEDT-GFCCVEGCSA-N 1 2 243.272 3.412 20 0 BGADLO Cc1ccc(F)c(C[NH2+][C@H]2CCCC2(F)F)c1 ZINC000398177236 583123137 /nfs/dbraw/zinc/12/31/37/583123137.db2.gz GTUWJJUFYVFEDT-LBPRGKRZSA-N 1 2 243.272 3.412 20 0 BGADLO Cc1cc(F)ccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000398181110 583123394 /nfs/dbraw/zinc/12/33/94/583123394.db2.gz HTAJKEBHDFPNEU-GFCCVEGCSA-N 1 2 243.272 3.412 20 0 BGADLO Cc1cc(F)ccc1C[NH2+][C@H]1CCCC1(F)F ZINC000398181111 583123094 /nfs/dbraw/zinc/12/30/94/583123094.db2.gz HTAJKEBHDFPNEU-LBPRGKRZSA-N 1 2 243.272 3.412 20 0 BGADLO Cc1ccc(C[NH2+][C@@H]2CCCC2(F)F)cc1F ZINC000398216330 711709397 /nfs/dbraw/zinc/70/93/97/711709397.db2.gz RDICXQBAKLVEPH-GFCCVEGCSA-N 1 2 243.272 3.412 20 0 BGADLO Cc1ccc(C[NH2+][C@H]2CCCC2(F)F)cc1F ZINC000398216337 711709602 /nfs/dbraw/zinc/70/96/02/711709602.db2.gz RDICXQBAKLVEPH-LBPRGKRZSA-N 1 2 243.272 3.412 20 0 BGADLO Cc1ccc(F)cc1C[NH2+][C@@H]1CCCC1(F)F ZINC000398219633 583124946 /nfs/dbraw/zinc/12/49/46/583124946.db2.gz SDCIHSKRKJDPMF-GFCCVEGCSA-N 1 2 243.272 3.412 20 0 BGADLO Cc1ccc(F)cc1C[NH2+][C@H]1CCCC1(F)F ZINC000398219634 583125126 /nfs/dbraw/zinc/12/51/26/583125126.db2.gz SDCIHSKRKJDPMF-LBPRGKRZSA-N 1 2 243.272 3.412 20 0 BGADLO Cc1cc(C[NH2+][C@@H]2CCCC2(F)F)ccc1F ZINC000398237634 583126453 /nfs/dbraw/zinc/12/64/53/583126453.db2.gz ZNWHJJFNVZBUES-GFCCVEGCSA-N 1 2 243.272 3.412 20 0 BGADLO Cc1cc(C[NH2+][C@H]2CCCC2(F)F)ccc1F ZINC000398237635 583126433 /nfs/dbraw/zinc/12/64/33/583126433.db2.gz ZNWHJJFNVZBUES-LBPRGKRZSA-N 1 2 243.272 3.412 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1csnn1)c1ccsc1 ZINC000398369282 323185435 /nfs/dbraw/zinc/18/54/35/323185435.db2.gz GZENBUOITFDAOV-HTQZYQBOSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1csnn1 ZINC000398369284 323185406 /nfs/dbraw/zinc/18/54/06/323185406.db2.gz GZENBUOITFDAOV-JGVFFNPUSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1csnn1)c1ccsc1 ZINC000398369287 323185447 /nfs/dbraw/zinc/18/54/47/323185447.db2.gz GZENBUOITFDAOV-SFYZADRCSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1csnn1)c1ccsc1 ZINC000398369294 323185469 /nfs/dbraw/zinc/18/54/69/323185469.db2.gz GZENBUOITFDAOV-YUMQZZPRSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1cccs1)c1csnn1 ZINC000398400850 323185707 /nfs/dbraw/zinc/18/57/07/323185707.db2.gz IBKHBGSLRSIKGJ-HTQZYQBOSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1csnn1)c1cccs1 ZINC000398400851 323185752 /nfs/dbraw/zinc/18/57/52/323185752.db2.gz IBKHBGSLRSIKGJ-JGVFFNPUSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1csnn1 ZINC000398400852 323185717 /nfs/dbraw/zinc/18/57/17/323185717.db2.gz IBKHBGSLRSIKGJ-SFYZADRCSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1cccs1)c1csnn1 ZINC000398400853 323185715 /nfs/dbraw/zinc/18/57/15/323185715.db2.gz IBKHBGSLRSIKGJ-YUMQZZPRSA-N 1 2 239.369 3.011 20 0 BGADLO Cc1ccc(C)c(C[NH2+][C@H](C)c2csnn2)c1 ZINC000398445192 386826448 /nfs/dbraw/zinc/82/64/48/386826448.db2.gz ARNROIMCOOWUQJ-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccc(C)c(C[NH2+][C@@H](C)c2csnn2)c1 ZINC000398445195 386825563 /nfs/dbraw/zinc/82/55/63/386825563.db2.gz ARNROIMCOOWUQJ-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cc(C)cc(C[NH2+][C@H](C)c2csnn2)c1 ZINC000398445318 386826120 /nfs/dbraw/zinc/82/61/20/386826120.db2.gz AVQOFUJMPVLVIK-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cc(C)cc(C[NH2+][C@@H](C)c2csnn2)c1 ZINC000398445319 262761853 /nfs/dbraw/zinc/76/18/53/262761853.db2.gz AVQOFUJMPVLVIK-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)c2csnn2)cc1C ZINC000398447213 386826210 /nfs/dbraw/zinc/82/62/10/386826210.db2.gz BVKDNCRMJCWGGE-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)c2csnn2)cc1C ZINC000398447217 386826884 /nfs/dbraw/zinc/82/68/84/386826884.db2.gz BVKDNCRMJCWGGE-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cccc(C[NH2+][C@H](C)c2csnn2)c1C ZINC000398448217 386825943 /nfs/dbraw/zinc/82/59/43/386825943.db2.gz CKPBCCSYARUIEO-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cccc(C[NH2+][C@@H](C)c2csnn2)c1C ZINC000398448218 386826854 /nfs/dbraw/zinc/82/68/54/386826854.db2.gz CKPBCCSYARUIEO-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1csnn1)c1ccccc1 ZINC000398448232 386825840 /nfs/dbraw/zinc/82/58/40/386825840.db2.gz CMQRBROVIQNKJW-CMPLNLGQSA-N 1 2 247.367 3.340 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1csnn1)c1ccccc1 ZINC000398448233 386827132 /nfs/dbraw/zinc/82/71/32/386827132.db2.gz CMQRBROVIQNKJW-JQWIXIFHSA-N 1 2 247.367 3.340 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1csnn1)c1ccccc1 ZINC000398448234 386826458 /nfs/dbraw/zinc/82/64/58/386826458.db2.gz CMQRBROVIQNKJW-PWSUYJOCSA-N 1 2 247.367 3.340 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1csnn1)c1ccccc1 ZINC000398448235 262761524 /nfs/dbraw/zinc/76/15/24/262761524.db2.gz CMQRBROVIQNKJW-ZYHUDNBSSA-N 1 2 247.367 3.340 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)c2csnn2)c(C)c1 ZINC000398452206 386823747 /nfs/dbraw/zinc/82/37/47/386823747.db2.gz FPYWYGHOLSFLOZ-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)c2csnn2)c(C)c1 ZINC000398452207 386824330 /nfs/dbraw/zinc/82/43/30/386824330.db2.gz FPYWYGHOLSFLOZ-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2csnn2)c1 ZINC000398464362 634363719 /nfs/dbraw/zinc/36/37/19/634363719.db2.gz KHMILHMZTSFNPR-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cc(C)cc([C@H](C)[NH2+]Cc2csnn2)c1 ZINC000398464364 634364775 /nfs/dbraw/zinc/36/47/75/634364775.db2.gz KHMILHMZTSFNPR-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cccc(C)c1C[NH2+][C@H](C)c1csnn1 ZINC000398468192 386830044 /nfs/dbraw/zinc/83/00/44/386830044.db2.gz MCDDJIYNUCPLTK-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cccc(C)c1C[NH2+][C@@H](C)c1csnn1 ZINC000398468194 386829984 /nfs/dbraw/zinc/82/99/84/386829984.db2.gz MCDDJIYNUCPLTK-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC000398480674 323185943 /nfs/dbraw/zinc/18/59/43/323185943.db2.gz RJKBNWHRJPRZNU-GHMZBOCLSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000398480675 323185976 /nfs/dbraw/zinc/18/59/76/323185976.db2.gz RJKBNWHRJPRZNU-MNOVXSKESA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000398480678 323185925 /nfs/dbraw/zinc/18/59/25/323185925.db2.gz RJKBNWHRJPRZNU-QWRGUYRKSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC000398480681 323185932 /nfs/dbraw/zinc/18/59/32/323185932.db2.gz RJKBNWHRJPRZNU-WDEREUQCSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2csnn2)c1 ZINC000398480772 323185899 /nfs/dbraw/zinc/18/58/99/323185899.db2.gz RMPCNICYQKHPJE-GHMZBOCLSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2csnn2)c1 ZINC000398480775 323185973 /nfs/dbraw/zinc/18/59/73/323185973.db2.gz RMPCNICYQKHPJE-MNOVXSKESA-N 1 2 247.367 3.258 20 0 BGADLO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2csnn2)c1 ZINC000398480779 323185909 /nfs/dbraw/zinc/18/59/09/323185909.db2.gz RMPCNICYQKHPJE-QWRGUYRKSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1cccc([C@H](C)[NH2+][C@H](C)c2csnn2)c1 ZINC000398480783 323185894 /nfs/dbraw/zinc/18/58/94/323185894.db2.gz RMPCNICYQKHPJE-WDEREUQCSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2csnn2)cc1 ZINC000398490106 323185916 /nfs/dbraw/zinc/18/59/16/323185916.db2.gz VPRXHQTXYLQJOG-GHMZBOCLSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2csnn2)cc1 ZINC000398490112 323185890 /nfs/dbraw/zinc/18/58/90/323185890.db2.gz VPRXHQTXYLQJOG-MNOVXSKESA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2csnn2)cc1 ZINC000398490118 323185954 /nfs/dbraw/zinc/18/59/54/323185954.db2.gz VPRXHQTXYLQJOG-QWRGUYRKSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2csnn2)cc1 ZINC000398490123 323185888 /nfs/dbraw/zinc/18/58/88/323185888.db2.gz VPRXHQTXYLQJOG-WDEREUQCSA-N 1 2 247.367 3.258 20 0 BGADLO CC[C@@]1(C)CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000399452639 368170315 /nfs/dbraw/zinc/17/03/15/368170315.db2.gz MFQOLNKVLVBZGS-HNNXBMFYSA-N 1 2 249.329 3.130 20 0 BGADLO CC[C@@]1(C)CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000399452639 368170305 /nfs/dbraw/zinc/17/03/05/368170305.db2.gz MFQOLNKVLVBZGS-HNNXBMFYSA-N 1 2 249.329 3.130 20 0 BGADLO CC[C@]1(C)CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000399452642 355872288 /nfs/dbraw/zinc/87/22/88/355872288.db2.gz MFQOLNKVLVBZGS-OAHLLOKOSA-N 1 2 249.329 3.130 20 0 BGADLO CC[C@]1(C)CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000399452642 355872286 /nfs/dbraw/zinc/87/22/86/355872286.db2.gz MFQOLNKVLVBZGS-OAHLLOKOSA-N 1 2 249.329 3.130 20 0 BGADLO Cc1cc(N2CCC3(CCC3)CC2)c(C#N)c[nH+]1 ZINC000399511014 356963248 /nfs/dbraw/zinc/96/32/48/356963248.db2.gz NMRSMVOQSONESK-UHFFFAOYSA-N 1 2 241.338 3.032 20 0 BGADLO Cc1cc(N(C)CCC(C)(C)C)c(C#N)c[nH+]1 ZINC000399773431 357044572 /nfs/dbraw/zinc/04/45/72/357044572.db2.gz GRZVIYZOCSWNEW-UHFFFAOYSA-N 1 2 231.343 3.134 20 0 BGADLO Cc1scc(CNc2cccc[nH+]2)c1C ZINC000399829806 368609724 /nfs/dbraw/zinc/60/97/24/368609724.db2.gz BFIVGDYCHUXKNE-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1scc(C[NH2+][C@H](C)C(F)F)c1C ZINC000399876964 368897887 /nfs/dbraw/zinc/89/78/87/368897887.db2.gz XQWOLHQZPHARMY-SSDOTTSWSA-N 1 2 219.300 3.108 20 0 BGADLO Cc1scc(C[NH2+][C@@H](C)C(F)F)c1C ZINC000399876966 368898052 /nfs/dbraw/zinc/89/80/52/368898052.db2.gz XQWOLHQZPHARMY-ZETCQYMHSA-N 1 2 219.300 3.108 20 0 BGADLO CO[C@@H](Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000400160897 226332994 /nfs/dbraw/zinc/33/29/94/226332994.db2.gz VYPVOPYJSMINBE-HNNXBMFYSA-N 1 2 244.338 3.078 20 0 BGADLO CO[C@H](Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000400160901 533209965 /nfs/dbraw/zinc/20/99/65/533209965.db2.gz VYPVOPYJSMINBE-OAHLLOKOSA-N 1 2 244.338 3.078 20 0 BGADLO COc1cc(C)ccc1[NH2+]CCC[C@@H]1CCOC1 ZINC000400723933 411160966 /nfs/dbraw/zinc/16/09/66/411160966.db2.gz WTAZKHQMKDMNNO-CYBMUJFWSA-N 1 2 249.354 3.232 20 0 BGADLO COc1cc(C)ccc1[NH2+]CCC[C@H]1CCOC1 ZINC000400723934 411160974 /nfs/dbraw/zinc/16/09/74/411160974.db2.gz WTAZKHQMKDMNNO-ZDUSSCGKSA-N 1 2 249.354 3.232 20 0 BGADLO Fc1cc2[nH+]cn(CC3=CCCC3)c2cc1F ZINC000401099827 383916246 /nfs/dbraw/zinc/91/62/46/383916246.db2.gz FVURXSZHMYETQY-UHFFFAOYSA-N 1 2 234.249 3.425 20 0 BGADLO CC[C@@H](CNc1cccc[nH+]1)CC(F)(F)F ZINC000402659363 529497465 /nfs/dbraw/zinc/49/74/65/529497465.db2.gz KDLJYJKCMTWCGD-SECBINFHSA-N 1 2 232.249 3.472 20 0 BGADLO CC[C@H](CNc1cccc[nH+]1)CC(F)(F)F ZINC000402659367 529373259 /nfs/dbraw/zinc/37/32/59/529373259.db2.gz KDLJYJKCMTWCGD-VIFPVBQESA-N 1 2 232.249 3.472 20 0 BGADLO Cc1cc(CNc2ccc(C)[nH+]c2C)sn1 ZINC000404454571 384999599 /nfs/dbraw/zinc/99/95/99/384999599.db2.gz IPDNFTPRHDQKJO-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1cc(CNc2cc(C)c[nH+]c2C)sn1 ZINC000404486928 384889751 /nfs/dbraw/zinc/88/97/51/384889751.db2.gz CQDXQUPWMJQMPW-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO COc1ccc(CNc2cc(C)c[nH+]c2C)cc1 ZINC000404503080 411399379 /nfs/dbraw/zinc/39/93/79/411399379.db2.gz FMSREORYRNRRKD-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1ccc(CNc2cc(C)c[nH+]c2C)o1 ZINC000404503799 411399361 /nfs/dbraw/zinc/39/93/61/411399361.db2.gz ANTMHMPJIFCCOV-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO COc1cccc(CNc2cc(C)c[nH+]c2C)c1 ZINC000404508968 411399452 /nfs/dbraw/zinc/39/94/52/411399452.db2.gz ISCYRORXKRSZKY-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1ccccc1CNc1cc(C)c[nH+]c1C ZINC000404513073 411399443 /nfs/dbraw/zinc/39/94/43/411399443.db2.gz LAJJRRYMXRUADI-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1c[nH+]c(C)c(NCc2cnn(C(C)C)c2)c1 ZINC000404560040 487927557 /nfs/dbraw/zinc/92/75/57/487927557.db2.gz RTSOGAKSAAJHFP-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO COCc1ccc(CNc2cc(C)c[nH+]c2C)o1 ZINC000404568082 487927388 /nfs/dbraw/zinc/92/73/88/487927388.db2.gz YWJPYVCFFIXNLH-UHFFFAOYSA-N 1 2 246.310 3.050 20 0 BGADLO CCc1cnc(CNc2cc(C)c[nH+]c2C)s1 ZINC000404570316 411183718 /nfs/dbraw/zinc/18/37/18/411183718.db2.gz BAYKSWJGJUWBQZ-UHFFFAOYSA-N 1 2 247.367 3.329 20 0 BGADLO Cc1ccoc1CNc1cc(C)c[nH+]c1C ZINC000404576968 487927213 /nfs/dbraw/zinc/92/72/13/487927213.db2.gz MIBBCBQGNJMQRI-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO Cc1c[nH+]c(C)c(NCc2ccncc2C)c1 ZINC000404599287 487928374 /nfs/dbraw/zinc/92/83/74/487928374.db2.gz KVGIUZBULYTHOF-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1c[nH+]c(C)c(NCc2ccnn2C(C)C)c1 ZINC000404612219 411401176 /nfs/dbraw/zinc/40/11/76/411401176.db2.gz TWUSXXBASBDESU-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO Cc1cnc(CNc2cc(C)c[nH+]c2C)s1 ZINC000404618408 411184104 /nfs/dbraw/zinc/18/41/04/411184104.db2.gz YBTYNJCALMDBLE-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1ccc(CNc2cc(C)c[nH+]c2C)nc1 ZINC000404625034 411402357 /nfs/dbraw/zinc/40/23/57/411402357.db2.gz CEBRIHXZWPHRFK-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO c1c[nH+]c(CNc2ccc3c(c2)CCCCC3)[nH]1 ZINC000404626875 411402087 /nfs/dbraw/zinc/40/20/87/411402087.db2.gz DAUXYZVUVDGIMW-UHFFFAOYSA-N 1 2 241.338 3.291 20 0 BGADLO CCc1ccc(CNc2cc(C)c[nH+]c2C)o1 ZINC000404640555 411403162 /nfs/dbraw/zinc/40/31/62/411403162.db2.gz JNEACTGXOIQQCC-UHFFFAOYSA-N 1 2 230.311 3.466 20 0 BGADLO Cc1c[nH+]c(C)c(NCc2cnccc2C)c1 ZINC000404644201 411403156 /nfs/dbraw/zinc/40/31/56/411403156.db2.gz KTMOFEDQVIKYGF-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1occc1CNc1cc(C)c[nH+]c1C ZINC000404663510 487930955 /nfs/dbraw/zinc/93/09/55/487930955.db2.gz XPNBODUOXKYJGO-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO CCn1cccc1CNc1cc(C)c[nH+]c1C ZINC000404671373 411404081 /nfs/dbraw/zinc/40/40/81/411404081.db2.gz WDYBYFIUQZRGGO-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO Cc1c[nH+]c(C)c(NCc2cccs2)c1 ZINC000404693273 411405392 /nfs/dbraw/zinc/40/53/92/411405392.db2.gz KFXPGJLHIGQMJY-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1c[nH+]c(C)c(NCc2ccsc2)c1 ZINC000404724901 411405839 /nfs/dbraw/zinc/40/58/39/411405839.db2.gz WVXJYDGFDLNSEY-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1nc(CNc2cc(C)c[nH+]c2C)cs1 ZINC000404742663 411184724 /nfs/dbraw/zinc/18/47/24/411184724.db2.gz IKNRERYWHKCHJD-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1ncsc1CNc1cc(C)c[nH+]c1C ZINC000404767423 411407563 /nfs/dbraw/zinc/40/75/63/411407563.db2.gz XCXYXBXNMATNLU-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO CCc1nc(CNc2cc(C)c[nH+]c2C)cs1 ZINC000404775833 487933333 /nfs/dbraw/zinc/93/33/33/487933333.db2.gz OSHBBHNAVRYSCH-UHFFFAOYSA-N 1 2 247.367 3.329 20 0 BGADLO CCc1ncc(CNc2cc(C)c[nH+]c2C)s1 ZINC000404782930 411184669 /nfs/dbraw/zinc/18/46/69/411184669.db2.gz RHVCMSMGWCXPRH-UHFFFAOYSA-N 1 2 247.367 3.329 20 0 BGADLO Cc1ccc(NC(=O)N[C@@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000408445407 411393702 /nfs/dbraw/zinc/39/37/02/411393702.db2.gz XLHVLUGRZUCQDY-BXKDBHETSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)N[C@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000408445409 411394028 /nfs/dbraw/zinc/39/40/28/411394028.db2.gz XLHVLUGRZUCQDY-CABZTGNLSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000408445411 411393912 /nfs/dbraw/zinc/39/39/12/411393912.db2.gz XLHVLUGRZUCQDY-JOYOIKCWSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)N[C@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000408445413 398181584 /nfs/dbraw/zinc/18/15/84/398181584.db2.gz XLHVLUGRZUCQDY-SKDRFNHKSA-N 1 2 247.342 3.009 20 0 BGADLO CC[C@H](C)CN(C)c1[nH+]c2cccc(F)c2n1C ZINC000409730325 191018810 /nfs/dbraw/zinc/01/88/10/191018810.db2.gz HCIKMYHTQXCERH-JTQLQIEISA-N 1 2 249.333 3.195 20 0 BGADLO CC[C@@H](C)CN(C)c1[nH+]c2cccc(F)c2n1C ZINC000409730326 191018147 /nfs/dbraw/zinc/01/81/47/191018147.db2.gz HCIKMYHTQXCERH-SNVBAGLBSA-N 1 2 249.333 3.195 20 0 BGADLO CC(C)C[C@H](C)C[N@@H+](CC(F)F)C1CC1 ZINC000410365638 191028937 /nfs/dbraw/zinc/02/89/37/191028937.db2.gz FDDRXJYXKWWCMT-JTQLQIEISA-N 1 2 219.319 3.398 20 0 BGADLO CC(C)C[C@H](C)C[N@H+](CC(F)F)C1CC1 ZINC000410365638 191028934 /nfs/dbraw/zinc/02/89/34/191028934.db2.gz FDDRXJYXKWWCMT-JTQLQIEISA-N 1 2 219.319 3.398 20 0 BGADLO CC(C)C[C@@H](C)C[N@@H+](CC(F)F)C1CC1 ZINC000410365639 191028971 /nfs/dbraw/zinc/02/89/71/191028971.db2.gz FDDRXJYXKWWCMT-SNVBAGLBSA-N 1 2 219.319 3.398 20 0 BGADLO CC(C)C[C@@H](C)C[N@H+](CC(F)F)C1CC1 ZINC000410365639 191028968 /nfs/dbraw/zinc/02/89/68/191028968.db2.gz FDDRXJYXKWWCMT-SNVBAGLBSA-N 1 2 219.319 3.398 20 0 BGADLO Cc1ccc(NC(=O)C(C)(C)C2CCC2)c(C)[nH+]1 ZINC000410559700 385734354 /nfs/dbraw/zinc/73/43/54/385734354.db2.gz DNAKKRKJDZRKFV-UHFFFAOYSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@@]2(C)CCC[C@H]2C)c(C)[nH+]1 ZINC000410561444 385862400 /nfs/dbraw/zinc/86/24/00/385862400.db2.gz HKGDXFBGKVPANB-BMIGLBTASA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@@]2(C)CCC[C@@H]2C)c(C)[nH+]1 ZINC000410561446 385862936 /nfs/dbraw/zinc/86/29/36/385862936.db2.gz HKGDXFBGKVPANB-BONVTDFDSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@]2(C)CCC[C@H]2C)c(C)[nH+]1 ZINC000410561448 385861710 /nfs/dbraw/zinc/86/17/10/385861710.db2.gz HKGDXFBGKVPANB-MEBBXXQBSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@]2(C)CCC[C@@H]2C)c(C)[nH+]1 ZINC000410561449 385862238 /nfs/dbraw/zinc/86/22/38/385862238.db2.gz HKGDXFBGKVPANB-ZUZCIYMTSA-N 1 2 246.354 3.463 20 0 BGADLO CCC(C)(C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410876830 191150674 /nfs/dbraw/zinc/15/06/74/191150674.db2.gz NKCRUPPLPNODPP-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO CC[C@@H](C)CCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410876841 191150639 /nfs/dbraw/zinc/15/06/39/191150639.db2.gz NOXWREFDVNRKMP-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CC[C@H](C)CCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410876842 191149935 /nfs/dbraw/zinc/14/99/35/191149935.db2.gz NOXWREFDVNRKMP-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO CCC(CC)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410877562 191150557 /nfs/dbraw/zinc/15/05/57/191150557.db2.gz RDZSAPINKOYSDJ-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO CC(C)CCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000410877581 191150381 /nfs/dbraw/zinc/15/03/81/191150381.db2.gz RNDCXICGCREHFC-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO OC1(CC[N@@H+](CC2CC2)c2ccccc2)CCC1 ZINC000411387889 191182723 /nfs/dbraw/zinc/18/27/23/191182723.db2.gz KCIVBUGZZBPUFK-UHFFFAOYSA-N 1 2 245.366 3.208 20 0 BGADLO OC1(CC[N@H+](CC2CC2)c2ccccc2)CCC1 ZINC000411387889 191182721 /nfs/dbraw/zinc/18/27/21/191182721.db2.gz KCIVBUGZZBPUFK-UHFFFAOYSA-N 1 2 245.366 3.208 20 0 BGADLO Fc1cccc([C@@H]2C[C@@H]2[N@H+]2CCC=C(F)C2)c1 ZINC000411453912 191188082 /nfs/dbraw/zinc/18/80/82/191188082.db2.gz XHCJQIDNYKZPCW-KBPBESRZSA-N 1 2 235.277 3.241 20 0 BGADLO Fc1cccc([C@@H]2C[C@@H]2[N@@H+]2CCC=C(F)C2)c1 ZINC000411453912 191188080 /nfs/dbraw/zinc/18/80/80/191188080.db2.gz XHCJQIDNYKZPCW-KBPBESRZSA-N 1 2 235.277 3.241 20 0 BGADLO Fc1cccc([C@@H]2C[C@H]2[N@H+]2CCC=C(F)C2)c1 ZINC000411453913 191187978 /nfs/dbraw/zinc/18/79/78/191187978.db2.gz XHCJQIDNYKZPCW-UONOGXRCSA-N 1 2 235.277 3.241 20 0 BGADLO Fc1cccc([C@@H]2C[C@H]2[N@@H+]2CCC=C(F)C2)c1 ZINC000411453913 191187975 /nfs/dbraw/zinc/18/79/75/191187975.db2.gz XHCJQIDNYKZPCW-UONOGXRCSA-N 1 2 235.277 3.241 20 0 BGADLO CC(=O)c1ccc2c(c1)C[N@H+](CCCCCF)C2 ZINC000411933182 191230854 /nfs/dbraw/zinc/23/08/54/191230854.db2.gz DCLUEMCINWPZRJ-UHFFFAOYSA-N 1 2 249.329 3.345 20 0 BGADLO CC(=O)c1ccc2c(c1)C[N@@H+](CCCCCF)C2 ZINC000411933182 191230851 /nfs/dbraw/zinc/23/08/51/191230851.db2.gz DCLUEMCINWPZRJ-UHFFFAOYSA-N 1 2 249.329 3.345 20 0 BGADLO CC[N@@H+](Cc1nc(C)c(C)o1)Cc1occc1C ZINC000412025546 191239762 /nfs/dbraw/zinc/23/97/62/191239762.db2.gz JEGPTVTUGMGLNS-UHFFFAOYSA-N 1 2 248.326 3.215 20 0 BGADLO CC[N@H+](Cc1nc(C)c(C)o1)Cc1occc1C ZINC000412025546 191239761 /nfs/dbraw/zinc/23/97/61/191239761.db2.gz JEGPTVTUGMGLNS-UHFFFAOYSA-N 1 2 248.326 3.215 20 0 BGADLO CC[N@@H+](Cc1occc1C)[C@H](C)c1ncc(C)o1 ZINC000412025998 191239272 /nfs/dbraw/zinc/23/92/72/191239272.db2.gz KGUNQFWHNLZFBV-GFCCVEGCSA-N 1 2 248.326 3.468 20 0 BGADLO CC[N@H+](Cc1occc1C)[C@H](C)c1ncc(C)o1 ZINC000412025998 191239269 /nfs/dbraw/zinc/23/92/69/191239269.db2.gz KGUNQFWHNLZFBV-GFCCVEGCSA-N 1 2 248.326 3.468 20 0 BGADLO CC[N@@H+](Cc1occc1C)[C@@H](C)c1ncc(C)o1 ZINC000412025999 191240059 /nfs/dbraw/zinc/24/00/59/191240059.db2.gz KGUNQFWHNLZFBV-LBPRGKRZSA-N 1 2 248.326 3.468 20 0 BGADLO CC[N@H+](Cc1occc1C)[C@@H](C)c1ncc(C)o1 ZINC000412025999 191240056 /nfs/dbraw/zinc/24/00/56/191240056.db2.gz KGUNQFWHNLZFBV-LBPRGKRZSA-N 1 2 248.326 3.468 20 0 BGADLO CC[N@@H+](Cc1occc1C)Cc1ccncc1F ZINC000412030452 191241054 /nfs/dbraw/zinc/24/10/54/191241054.db2.gz WIIBJNKTMHPQBX-UHFFFAOYSA-N 1 2 248.301 3.144 20 0 BGADLO CC[N@H+](Cc1occc1C)Cc1ccncc1F ZINC000412030452 191241052 /nfs/dbraw/zinc/24/10/52/191241052.db2.gz WIIBJNKTMHPQBX-UHFFFAOYSA-N 1 2 248.301 3.144 20 0 BGADLO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ncc(Cl)s1 ZINC000412033173 191243240 /nfs/dbraw/zinc/24/32/40/191243240.db2.gz COAQPPZVLKICPP-MRVPVSSYSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ncc(Cl)s1 ZINC000412033173 191243237 /nfs/dbraw/zinc/24/32/37/191243237.db2.gz COAQPPZVLKICPP-MRVPVSSYSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC(C)(C)C[N@H+]1Cc1ncc(Cl)s1 ZINC000412033176 191243515 /nfs/dbraw/zinc/24/35/15/191243515.db2.gz COAQPPZVLKICPP-QMMMGPOBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ncc(Cl)s1 ZINC000412033176 191243512 /nfs/dbraw/zinc/24/35/12/191243512.db2.gz COAQPPZVLKICPP-QMMMGPOBSA-N 1 2 244.791 3.417 20 0 BGADLO CC[N@H+](Cc1cscn1)Cc1occc1C ZINC000412042553 191250063 /nfs/dbraw/zinc/25/00/63/191250063.db2.gz OCLZABDHVDQLSI-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CC[N@@H+](Cc1cscn1)Cc1occc1C ZINC000412042553 191250061 /nfs/dbraw/zinc/25/00/61/191250061.db2.gz OCLZABDHVDQLSI-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO Cc1cc(N2CC(C(C)(C)C)C2)nc(C(C)C)[nH+]1 ZINC000413356586 191373170 /nfs/dbraw/zinc/37/31/70/191373170.db2.gz CCCLEUGRBSNXRZ-UHFFFAOYSA-N 1 2 247.386 3.391 20 0 BGADLO CC(C)c1nc(N2CC(C(C)(C)C)C2)cc[nH+]1 ZINC000413360158 191374959 /nfs/dbraw/zinc/37/49/59/191374959.db2.gz IIMPIHBUYRYHQJ-UHFFFAOYSA-N 1 2 233.359 3.082 20 0 BGADLO Cc1cc(N2CC(C(C)(C)C)C2)nc(C2CC2)[nH+]1 ZINC000413363180 191375179 /nfs/dbraw/zinc/37/51/79/191375179.db2.gz MOFSPMLBHADTCX-UHFFFAOYSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc[nH+]c(NC[C@H]2CC[C@@H](C)O2)c1Cl ZINC000413382236 191377951 /nfs/dbraw/zinc/37/79/51/191377951.db2.gz YGWUALGGQZCXPU-NXEZZACHSA-N 1 2 240.734 3.023 20 0 BGADLO Cc1cc[nH+]c(NC[C@@H]2CC[C@H](C)O2)c1Cl ZINC000413382237 191377882 /nfs/dbraw/zinc/37/78/82/191377882.db2.gz YGWUALGGQZCXPU-UWVGGRQHSA-N 1 2 240.734 3.023 20 0 BGADLO Cc1cc[nH+]c(NC[C@H]2CC[C@H](C)O2)c1Cl ZINC000413382238 191377965 /nfs/dbraw/zinc/37/79/65/191377965.db2.gz YGWUALGGQZCXPU-VHSXEESVSA-N 1 2 240.734 3.023 20 0 BGADLO Cc1cc[nH+]c(NC[C@@H]2CC[C@@H](C)O2)c1Cl ZINC000413382240 191378372 /nfs/dbraw/zinc/37/83/72/191378372.db2.gz YGWUALGGQZCXPU-ZJUUUORDSA-N 1 2 240.734 3.023 20 0 BGADLO CCO[C@H]1C[C@@H](Nc2[nH+]ccc(C)c2Cl)C1 ZINC000413384437 191377791 /nfs/dbraw/zinc/37/77/91/191377791.db2.gz FCOUXZKTAHJTCC-AOOOYVTPSA-N 1 2 240.734 3.023 20 0 BGADLO CC(C)c1nc(N(C)C2CC(C)(C)C2)cc[nH+]1 ZINC000413432549 191379075 /nfs/dbraw/zinc/37/90/75/191379075.db2.gz CMHOCLZMKWDBHJ-UHFFFAOYSA-N 1 2 233.359 3.225 20 0 BGADLO CN(c1cc[nH+]c2ccncc21)C1CC(C)(C)C1 ZINC000413435700 191379992 /nfs/dbraw/zinc/37/99/92/191379992.db2.gz HPAADZXLFNTJSU-UHFFFAOYSA-N 1 2 241.338 3.255 20 0 BGADLO Cc1cc(N(C)C2CC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000413447292 191384111 /nfs/dbraw/zinc/38/41/11/191384111.db2.gz VQLAKIDFWQKOIQ-UHFFFAOYSA-N 1 2 245.370 3.287 20 0 BGADLO CC[C@@H]1OCC[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000413454584 191385481 /nfs/dbraw/zinc/38/54/81/191385481.db2.gz RDWAZADRWIILTJ-KGLIPLIRSA-N 1 2 242.322 3.214 20 0 BGADLO COCC[C@@H](C)CNc1[nH+]ccc(C)c1Cl ZINC000413496830 191390826 /nfs/dbraw/zinc/39/08/26/191390826.db2.gz VHOVXENJSXZKRJ-SECBINFHSA-N 1 2 242.750 3.128 20 0 BGADLO COCC[C@H](C)CNc1[nH+]ccc(C)c1Cl ZINC000413496831 191390983 /nfs/dbraw/zinc/39/09/83/191390983.db2.gz VHOVXENJSXZKRJ-VIFPVBQESA-N 1 2 242.750 3.128 20 0 BGADLO CC(C)(C)c1ccncc1CNc1cccc[nH+]1 ZINC000413503891 191385321 /nfs/dbraw/zinc/38/53/21/191385321.db2.gz CCZZKVLVXWYHEC-UHFFFAOYSA-N 1 2 241.338 3.386 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CS[C@H](C)C2)c1Cl ZINC000413525191 191392977 /nfs/dbraw/zinc/39/29/77/191392977.db2.gz XXNGMRGKEYMJSI-BDAKNGLRSA-N 1 2 242.775 3.349 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CS[C@@H](C)C2)c1Cl ZINC000413525205 191393010 /nfs/dbraw/zinc/39/30/10/191393010.db2.gz XXNGMRGKEYMJSI-DTWKUNHWSA-N 1 2 242.775 3.349 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CS[C@@H](C)C2)c1Cl ZINC000413525207 191392538 /nfs/dbraw/zinc/39/25/38/191392538.db2.gz XXNGMRGKEYMJSI-IUCAKERBSA-N 1 2 242.775 3.349 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CS[C@H](C)C2)c1Cl ZINC000413525208 191393264 /nfs/dbraw/zinc/39/32/64/191393264.db2.gz XXNGMRGKEYMJSI-RKDXNWHRSA-N 1 2 242.775 3.349 20 0 BGADLO CCN(Cc1occc1C)c1cccc[nH+]1 ZINC000413545224 191394865 /nfs/dbraw/zinc/39/48/65/191394865.db2.gz ATZHKUKXIIBCMB-UHFFFAOYSA-N 1 2 216.284 3.010 20 0 BGADLO C[C@@H]1CC(C)(C)CN1c1cc[nH+]c2ccncc21 ZINC000413553271 191395986 /nfs/dbraw/zinc/39/59/86/191395986.db2.gz AIZJYIPODKPQDS-LLVKDONJSA-N 1 2 241.338 3.255 20 0 BGADLO C[C@H]1CC(C)(C)CN1c1cc[nH+]c2ccncc21 ZINC000413553281 191395934 /nfs/dbraw/zinc/39/59/34/191395934.db2.gz AIZJYIPODKPQDS-NSHDSACASA-N 1 2 241.338 3.255 20 0 BGADLO Cc1nc(N2CC(C)(C)C[C@H]2C)c(C)c(C)[nH+]1 ZINC000413557976 191396875 /nfs/dbraw/zinc/39/68/75/191396875.db2.gz HEEDHRNPJVEIAD-SECBINFHSA-N 1 2 233.359 3.027 20 0 BGADLO Cc1nc(N2CC(C)(C)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC000413557977 191397315 /nfs/dbraw/zinc/39/73/15/191397315.db2.gz HEEDHRNPJVEIAD-VIFPVBQESA-N 1 2 233.359 3.027 20 0 BGADLO CC(C)c1nc(N2CC(C)(C)C[C@H]2C)cc[nH+]1 ZINC000413558354 191396804 /nfs/dbraw/zinc/39/68/04/191396804.db2.gz HXJBKLITVGFMIA-LLVKDONJSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N2CC(C)(C)C[C@@H]2C)cc[nH+]1 ZINC000413558356 191397053 /nfs/dbraw/zinc/39/70/53/191397053.db2.gz HXJBKLITVGFMIA-NSHDSACASA-N 1 2 233.359 3.225 20 0 BGADLO C[C@@H]1CC(C)(C)CN1c1[nH+]c2ccccc2n1C ZINC000413560761 191397261 /nfs/dbraw/zinc/39/72/61/191397261.db2.gz LYHJJMKHSFRCMS-LLVKDONJSA-N 1 2 243.354 3.198 20 0 BGADLO C[C@H]1CC(C)(C)CN1c1[nH+]c2ccccc2n1C ZINC000413560762 191397190 /nfs/dbraw/zinc/39/71/90/191397190.db2.gz LYHJJMKHSFRCMS-NSHDSACASA-N 1 2 243.354 3.198 20 0 BGADLO Cc1cc(N2CC(C)(C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000413563172 191397451 /nfs/dbraw/zinc/39/74/51/191397451.db2.gz RQQBINOEUYKGNH-LLVKDONJSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2CC(C)(C)C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000413563175 191397082 /nfs/dbraw/zinc/39/70/82/191397082.db2.gz RQQBINOEUYKGNH-NSHDSACASA-N 1 2 245.370 3.287 20 0 BGADLO C[C@H]1CC(C)(C)CN1c1[nH]c2ccccc2[nH+]1 ZINC000413572416 191395277 /nfs/dbraw/zinc/39/52/77/191395277.db2.gz DREUVPUUHLUTHI-JTQLQIEISA-N 1 2 229.327 3.188 20 0 BGADLO C[C@@H]1CC(C)(C)CN1c1[nH]c2ccccc2[nH+]1 ZINC000413572419 191395485 /nfs/dbraw/zinc/39/54/85/191395485.db2.gz DREUVPUUHLUTHI-SNVBAGLBSA-N 1 2 229.327 3.188 20 0 BGADLO CC(C)(C)O[C@@H]1C[C@H](Nc2cccc[nH+]2)C1(C)C ZINC000413610663 385845935 /nfs/dbraw/zinc/84/59/35/385845935.db2.gz OJQFCRFZRLGXCK-NWDGAFQWSA-N 1 2 248.370 3.476 20 0 BGADLO C[C@@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@H]1C[C@H]1C ZINC000414095566 385960480 /nfs/dbraw/zinc/96/04/80/385960480.db2.gz KJOVCTVLIPIFDO-BZPMIXESSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@H]1C[C@H]1C ZINC000414095567 518183675 /nfs/dbraw/zinc/18/36/75/518183675.db2.gz KJOVCTVLIPIFDO-DYEKYZERSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@@H]1C[C@H]1C ZINC000414095568 385960426 /nfs/dbraw/zinc/96/04/26/385960426.db2.gz KJOVCTVLIPIFDO-MBNYWOFBSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@@H](Nc1ccc(N2CCCC2)c[nH+]1)[C@@H]1C[C@H]1C ZINC000414095569 385958700 /nfs/dbraw/zinc/95/87/00/385958700.db2.gz KJOVCTVLIPIFDO-YRGRVCCFSA-N 1 2 245.370 3.138 20 0 BGADLO CCCCCc1[nH+]c2ccccc2n1C[C@@H](C)O ZINC000414098484 385962331 /nfs/dbraw/zinc/96/23/31/385962331.db2.gz JRKQBXDRJDHSRN-GFCCVEGCSA-N 1 2 246.354 3.150 20 0 BGADLO CCCCCc1[nH+]c2ccccc2n1C[C@H](C)O ZINC000414098485 385962878 /nfs/dbraw/zinc/96/28/78/385962878.db2.gz JRKQBXDRJDHSRN-LBPRGKRZSA-N 1 2 246.354 3.150 20 0 BGADLO CC[C@H]([NH2+][C@@H](CC)C(F)(F)F)[C@@H]1C[C@H]1C ZINC000414129758 385976762 /nfs/dbraw/zinc/97/67/62/385976762.db2.gz IQYSKUUFRHFEMH-IMSYWVGJSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]([NH2+][C@@H](CC)C(F)(F)F)[C@@H]1C[C@@H]1C ZINC000414129761 191436995 /nfs/dbraw/zinc/43/69/95/191436995.db2.gz IQYSKUUFRHFEMH-JXUBOQSCSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]([NH2+][C@@H](CC)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414129763 385977377 /nfs/dbraw/zinc/97/73/77/385977377.db2.gz IQYSKUUFRHFEMH-KATARQTJSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]([NH2+][C@@H](CC)C(F)(F)F)[C@H]1C[C@@H]1C ZINC000414129766 385976872 /nfs/dbraw/zinc/97/68/72/385976872.db2.gz IQYSKUUFRHFEMH-XKNYDFJKSA-N 1 2 223.282 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@H](C)[C@H]1C[C@H]1C)C(F)(F)F ZINC000414137967 385987612 /nfs/dbraw/zinc/98/76/12/385987612.db2.gz PQOYUJZUBFAESG-IMSYWVGJSA-N 1 2 223.282 3.207 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H](C)[C@H]1C[C@H]1C)C(F)(F)F ZINC000414137969 385986338 /nfs/dbraw/zinc/98/63/38/385986338.db2.gz PQOYUJZUBFAESG-KATARQTJSA-N 1 2 223.282 3.207 20 0 BGADLO CC(C)[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C)C(F)(F)F ZINC000414137970 385986104 /nfs/dbraw/zinc/98/61/04/385986104.db2.gz PQOYUJZUBFAESG-KYXWUPHJSA-N 1 2 223.282 3.207 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C)C(F)(F)F ZINC000414138389 385986352 /nfs/dbraw/zinc/98/63/52/385986352.db2.gz PQOYUJZUBFAESG-RGOKHQFPSA-N 1 2 223.282 3.207 20 0 BGADLO CC[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@@H]1C[C@@H]1C ZINC000414162523 386045882 /nfs/dbraw/zinc/04/58/82/386045882.db2.gz LZPAPXALLDZFMR-CDEVMZEPSA-N 1 2 235.293 3.352 20 0 BGADLO CC[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@@H]1C[C@H]1C ZINC000414162529 386045269 /nfs/dbraw/zinc/04/52/69/386045269.db2.gz LZPAPXALLDZFMR-CZULRBLNSA-N 1 2 235.293 3.352 20 0 BGADLO CC[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@H]1C[C@@H]1C ZINC000414162531 386046498 /nfs/dbraw/zinc/04/64/98/386046498.db2.gz LZPAPXALLDZFMR-DMLMCSCLSA-N 1 2 235.293 3.352 20 0 BGADLO CC[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@H]1C[C@H]1C ZINC000414162532 386044552 /nfs/dbraw/zinc/04/45/52/386044552.db2.gz LZPAPXALLDZFMR-GRLWKWRFSA-N 1 2 235.293 3.352 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)oc1C ZINC000414178108 386020197 /nfs/dbraw/zinc/02/01/97/386020197.db2.gz KGPCCDPKWKNSKE-GHMZBOCLSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)oc1C ZINC000414178109 386021064 /nfs/dbraw/zinc/02/10/64/386021064.db2.gz KGPCCDPKWKNSKE-MNOVXSKESA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)oc1C ZINC000414178110 191454191 /nfs/dbraw/zinc/45/41/91/191454191.db2.gz KGPCCDPKWKNSKE-QWRGUYRKSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)oc1C ZINC000414178111 386021017 /nfs/dbraw/zinc/02/10/17/386021017.db2.gz KGPCCDPKWKNSKE-WDEREUQCSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2cnc(C)o2)oc1C ZINC000414178313 386019153 /nfs/dbraw/zinc/01/91/53/386019153.db2.gz JSGUZTAMOZZBIB-SECBINFHSA-N 1 2 234.299 3.044 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2cnc(C)o2)oc1C ZINC000414178317 191453633 /nfs/dbraw/zinc/45/36/33/191453633.db2.gz JSGUZTAMOZZBIB-VIFPVBQESA-N 1 2 234.299 3.044 20 0 BGADLO Cc1ccnc([C@@H](C)[NH2+][C@@H](C)c2nccs2)c1 ZINC000414219491 386073796 /nfs/dbraw/zinc/07/37/96/386073796.db2.gz HMHBMFOCNVZBLB-MNOVXSKESA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccnc([C@H](C)[NH2+][C@@H](C)c2nccs2)c1 ZINC000414219493 386072017 /nfs/dbraw/zinc/07/20/17/386072017.db2.gz HMHBMFOCNVZBLB-QWRGUYRKSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1occc1CNc1c[nH+]c2c(c1)CCCC2 ZINC000414305379 370692218 /nfs/dbraw/zinc/69/22/18/370692218.db2.gz XFPUZBILZOVGPM-UHFFFAOYSA-N 1 2 242.322 3.474 20 0 BGADLO Fc1c[nH+]ccc1NCc1ccc(C2CC2)cc1 ZINC000414323214 386120894 /nfs/dbraw/zinc/12/08/94/386120894.db2.gz VWYXWMICPNXBKO-UHFFFAOYSA-N 1 2 242.297 3.132 20 0 BGADLO Cc1occc1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000414377075 386204492 /nfs/dbraw/zinc/20/44/92/386204492.db2.gz ISGACUSXCNVFBL-UHFFFAOYSA-N 1 2 248.351 3.212 20 0 BGADLO Cc1occc1C[N@@H+](CC(F)F)CC1CCC1 ZINC000414404489 386311158 /nfs/dbraw/zinc/31/11/58/386311158.db2.gz IELABCGFQYSTLS-UHFFFAOYSA-N 1 2 243.297 3.455 20 0 BGADLO Cc1occc1C[N@H+](CC(F)F)CC1CCC1 ZINC000414404489 386311152 /nfs/dbraw/zinc/31/11/52/386311152.db2.gz IELABCGFQYSTLS-UHFFFAOYSA-N 1 2 243.297 3.455 20 0 BGADLO Cc1occc1C[N@H+]1Cc2cccc(F)c2C1 ZINC000414466914 386629431 /nfs/dbraw/zinc/62/94/31/386629431.db2.gz VNKDKGXPPNQMEM-UHFFFAOYSA-N 1 2 231.270 3.243 20 0 BGADLO Cc1occc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000414466914 386629429 /nfs/dbraw/zinc/62/94/29/386629429.db2.gz VNKDKGXPPNQMEM-UHFFFAOYSA-N 1 2 231.270 3.243 20 0 BGADLO CSc1cc(C)ccc1NCc1c[nH+]cn1C ZINC000414493357 386730071 /nfs/dbraw/zinc/73/00/71/386730071.db2.gz IIJXLIKSKMOECD-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO CSc1cc(C)ccc1NCc1[nH]cc[nH+]1 ZINC000414494407 386734208 /nfs/dbraw/zinc/73/42/08/386734208.db2.gz KWLNQBIDUXGJGH-UHFFFAOYSA-N 1 2 233.340 3.052 20 0 BGADLO CSc1cc(C)ccc1NCc1[nH+]ccn1C ZINC000414496182 386737474 /nfs/dbraw/zinc/73/74/74/386737474.db2.gz PBESMYIMPXPHTH-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO CC(C)CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414844316 386766506 /nfs/dbraw/zinc/76/65/06/386766506.db2.gz DNIZNNCPMBLVRE-UHFFFAOYSA-N 1 2 204.317 3.113 20 0 BGADLO C[C@H]1C[C@@H]1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414849313 385625597 /nfs/dbraw/zinc/62/55/97/385625597.db2.gz LOIAWWVFXWQQTD-CMPLNLGQSA-N 1 2 216.328 3.113 20 0 BGADLO C[C@H]1C[C@H]1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414849315 385626212 /nfs/dbraw/zinc/62/62/12/385626212.db2.gz LOIAWWVFXWQQTD-JQWIXIFHSA-N 1 2 216.328 3.113 20 0 BGADLO C[C@@H]1C[C@H]1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414849317 385626201 /nfs/dbraw/zinc/62/62/01/385626201.db2.gz LOIAWWVFXWQQTD-PWSUYJOCSA-N 1 2 216.328 3.113 20 0 BGADLO C[C@@H]1C[C@@H]1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414849319 385624923 /nfs/dbraw/zinc/62/49/23/385624923.db2.gz LOIAWWVFXWQQTD-ZYHUDNBSSA-N 1 2 216.328 3.113 20 0 BGADLO COCC(C)(C)CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414854690 351905889 /nfs/dbraw/zinc/90/58/89/351905889.db2.gz UPPNHQNIVYHECR-UHFFFAOYSA-N 1 2 248.370 3.129 20 0 BGADLO COC[C@@H]1CCc2[nH+]c3ccccc3c(C)c2C1 ZINC000416383137 386283338 /nfs/dbraw/zinc/28/33/38/386283338.db2.gz BYQHQXDNSHDYPP-GFCCVEGCSA-N 1 2 241.334 3.295 20 0 BGADLO COC[C@H]1CCc2[nH+]c3ccccc3c(C)c2C1 ZINC000416383138 386282671 /nfs/dbraw/zinc/28/26/71/386282671.db2.gz BYQHQXDNSHDYPP-LBPRGKRZSA-N 1 2 241.334 3.295 20 0 BGADLO CCc1ccc(NCc2c[nH+]cn2CC)cc1F ZINC000417810412 386791425 /nfs/dbraw/zinc/79/14/25/386791425.db2.gz BYBIZGMHEDNVTN-UHFFFAOYSA-N 1 2 247.317 3.217 20 0 BGADLO CCn1c[nH+]cc1CN(C)c1cc(C)ccc1C ZINC000417987321 386791642 /nfs/dbraw/zinc/79/16/42/386791642.db2.gz IXWDHDYOXTVGCA-UHFFFAOYSA-N 1 2 243.354 3.156 20 0 BGADLO CCn1c[nH+]cc1CN(C)c1cc(C)cc(C)c1 ZINC000417988146 386789855 /nfs/dbraw/zinc/78/98/55/386789855.db2.gz RQSZEBBFPRYBDZ-UHFFFAOYSA-N 1 2 243.354 3.156 20 0 BGADLO CCn1c[nH+]cc1CN1C[C@@H](C)c2ccccc21 ZINC000417992901 386804070 /nfs/dbraw/zinc/80/40/70/386804070.db2.gz XIRCXGQQFNWPRU-GFCCVEGCSA-N 1 2 241.338 3.027 20 0 BGADLO CCn1c[nH+]cc1CN1C[C@H](C)c2ccccc21 ZINC000417992902 386803080 /nfs/dbraw/zinc/80/30/80/386803080.db2.gz XIRCXGQQFNWPRU-LBPRGKRZSA-N 1 2 241.338 3.027 20 0 BGADLO CCn1c[nH+]cc1CN(C)c1cccc(C)c1C ZINC000418018725 386966285 /nfs/dbraw/zinc/96/62/85/386966285.db2.gz JDZINIJQEIHJNN-UHFFFAOYSA-N 1 2 243.354 3.156 20 0 BGADLO CCN(Cc1c[nH+]cn1CC)c1ccccc1C ZINC000418020139 387006432 /nfs/dbraw/zinc/00/64/32/387006432.db2.gz ZFGYKRMBHBPXPC-UHFFFAOYSA-N 1 2 243.354 3.238 20 0 BGADLO CCc1cc(NCc2c[nH+]cn2CC)ccc1F ZINC000418053395 387077794 /nfs/dbraw/zinc/07/77/94/387077794.db2.gz YYPLDYOVMUVSLE-UHFFFAOYSA-N 1 2 247.317 3.217 20 0 BGADLO CCc1cccc(N(C)Cc2c[nH+]cn2CC)c1 ZINC000418086594 387094970 /nfs/dbraw/zinc/09/49/70/387094970.db2.gz ZJURPMXDXXUEQZ-UHFFFAOYSA-N 1 2 243.354 3.102 20 0 BGADLO C[C@@H]([NH2+]Cc1ccn[nH]1)c1ccc(C2CC2)cc1 ZINC000418118575 387063866 /nfs/dbraw/zinc/06/38/66/387063866.db2.gz SXQTTYYOYJJJJL-LLVKDONJSA-N 1 2 241.338 3.138 20 0 BGADLO C[C@H]([NH2+]Cc1ccn[nH]1)c1ccc(C2CC2)cc1 ZINC000418118577 387062634 /nfs/dbraw/zinc/06/26/34/387062634.db2.gz SXQTTYYOYJJJJL-NSHDSACASA-N 1 2 241.338 3.138 20 0 BGADLO COC1(Cn2c[nH+]c3cc(C)c(C)cc32)CCC1 ZINC000418807354 192070439 /nfs/dbraw/zinc/07/04/39/192070439.db2.gz PTUKALAWPGOHCQ-UHFFFAOYSA-N 1 2 244.338 3.222 20 0 BGADLO CCc1[nH+]c(C(C)C)ccc1Cn1cccn1 ZINC000418889776 488063351 /nfs/dbraw/zinc/06/33/51/488063351.db2.gz VKQNKGQRZZHXNI-UHFFFAOYSA-N 1 2 229.327 3.012 20 0 BGADLO CCc1[nH+]c(C(C)C)ccc1Cn1cc(C)cn1 ZINC000418891200 529717026 /nfs/dbraw/zinc/71/70/26/529717026.db2.gz WZKAVHMAFAGQJO-UHFFFAOYSA-N 1 2 243.354 3.321 20 0 BGADLO Cc1cc(C)n(Cc2ccc(C(C)C)[nH+]c2C)n1 ZINC000418900531 192088733 /nfs/dbraw/zinc/08/87/33/192088733.db2.gz DDPJXUFWUQXPQU-UHFFFAOYSA-N 1 2 243.354 3.375 20 0 BGADLO Cc1cc(OCC[C@@H](C)O)c2cccc(C)c2[nH+]1 ZINC000418939232 192090455 /nfs/dbraw/zinc/09/04/55/192090455.db2.gz HPKVEOVCJIIESP-GFCCVEGCSA-N 1 2 245.322 3.001 20 0 BGADLO Cc1cc(OCC[C@H](C)O)c2cccc(C)c2[nH+]1 ZINC000418939233 192090729 /nfs/dbraw/zinc/09/07/29/192090729.db2.gz HPKVEOVCJIIESP-LBPRGKRZSA-N 1 2 245.322 3.001 20 0 BGADLO Cc1nc(C(C)C)ccc1COc1cc[nH+]cc1 ZINC000418947481 192092351 /nfs/dbraw/zinc/09/23/51/192092351.db2.gz AZFFLFGAYOXVJI-UHFFFAOYSA-N 1 2 242.322 3.487 20 0 BGADLO c1cc(OCCC2=CCCCC2)cc[nH+]1 ZINC000418949366 192092410 /nfs/dbraw/zinc/09/24/10/192092410.db2.gz FBTQDFPQHQOXLB-UHFFFAOYSA-N 1 2 203.285 3.351 20 0 BGADLO FC1(F)CCC(COc2cc[nH+]cc2)CC1 ZINC000418952320 192092404 /nfs/dbraw/zinc/09/24/04/192092404.db2.gz KBYZNIZIMQHLGW-UHFFFAOYSA-N 1 2 227.254 3.286 20 0 BGADLO FC1(F)CCCC[C@H]1COc1cc[nH+]cc1 ZINC000418956917 192092390 /nfs/dbraw/zinc/09/23/90/192092390.db2.gz SXHRWDVFYNREQQ-JTQLQIEISA-N 1 2 227.254 3.286 20 0 BGADLO FC1(F)CCCC[C@@H]1COc1cc[nH+]cc1 ZINC000418956918 192092094 /nfs/dbraw/zinc/09/20/94/192092094.db2.gz SXHRWDVFYNREQQ-SNVBAGLBSA-N 1 2 227.254 3.286 20 0 BGADLO CC[C@H](COc1cc(C)[nH+]c2ccccc21)OC ZINC000418964765 192092833 /nfs/dbraw/zinc/09/28/33/192092833.db2.gz QSFCZNZZUYMQQK-GFCCVEGCSA-N 1 2 245.322 3.347 20 0 BGADLO CC[C@@H](COc1cc(C)[nH+]c2ccccc21)OC ZINC000418964766 192092684 /nfs/dbraw/zinc/09/26/84/192092684.db2.gz QSFCZNZZUYMQQK-LBPRGKRZSA-N 1 2 245.322 3.347 20 0 BGADLO Cc1cc(OCCC[C@@H](C)O)c2ccccc2[nH+]1 ZINC000418964923 192092633 /nfs/dbraw/zinc/09/26/33/192092633.db2.gz REQJPUQZEVMDMY-GFCCVEGCSA-N 1 2 245.322 3.083 20 0 BGADLO Cc1cc(OCCC[C@H](C)O)c2ccccc2[nH+]1 ZINC000418964924 192092782 /nfs/dbraw/zinc/09/27/82/192092782.db2.gz REQJPUQZEVMDMY-LBPRGKRZSA-N 1 2 245.322 3.083 20 0 BGADLO Cc1cc[nH+]c(NC[C@H]2CC23CC3)c1Cl ZINC000418974801 192093680 /nfs/dbraw/zinc/09/36/80/192093680.db2.gz GFWVISRZLYKVDP-SECBINFHSA-N 1 2 222.719 3.255 20 0 BGADLO Cc1cc[nH+]c(NC[C@@H]2CC23CC3)c1Cl ZINC000418974816 192093714 /nfs/dbraw/zinc/09/37/14/192093714.db2.gz GFWVISRZLYKVDP-VIFPVBQESA-N 1 2 222.719 3.255 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCOCC1CCC1 ZINC000418980086 192093514 /nfs/dbraw/zinc/09/35/14/192093514.db2.gz ADHJCDIRZVRSKE-UHFFFAOYSA-N 1 2 249.354 3.148 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCC(C)(F)F ZINC000418983614 192091235 /nfs/dbraw/zinc/09/12/35/192091235.db2.gz DMVSDPHWJBSYMS-UHFFFAOYSA-N 1 2 229.270 3.377 20 0 BGADLO FC(F)(F)c1cc[nH+]c(NC[C@H]2CC23CC3)c1 ZINC000418984435 192091088 /nfs/dbraw/zinc/09/10/88/192091088.db2.gz DNEFUQLNVRPQMV-SECBINFHSA-N 1 2 242.244 3.312 20 0 BGADLO FC(F)(F)c1cc[nH+]c(NC[C@@H]2CC23CC3)c1 ZINC000418984436 192091213 /nfs/dbraw/zinc/09/12/13/192091213.db2.gz DNEFUQLNVRPQMV-VIFPVBQESA-N 1 2 242.244 3.312 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1cncc(C)c1 ZINC000418992760 192095946 /nfs/dbraw/zinc/09/59/46/192095946.db2.gz NBWYOOQHPBQZAL-UHFFFAOYSA-N 1 2 242.322 3.235 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCC1(OC)CCC1 ZINC000418994772 192096350 /nfs/dbraw/zinc/09/63/50/192096350.db2.gz PMJBDTJCZRMOQD-UHFFFAOYSA-N 1 2 249.354 3.290 20 0 BGADLO CCc1[nH+]c(C)ccc1OCC1CC(F)(F)C1 ZINC000418995881 192096765 /nfs/dbraw/zinc/09/67/65/192096765.db2.gz QDFIHHFFBDADKZ-UHFFFAOYSA-N 1 2 241.281 3.377 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1cccc(C)n1 ZINC000419000035 192097065 /nfs/dbraw/zinc/09/70/65/192097065.db2.gz VCBHCTKAUWKCET-UHFFFAOYSA-N 1 2 242.322 3.235 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1cnccc1C ZINC000419000065 192097032 /nfs/dbraw/zinc/09/70/32/192097032.db2.gz VJGIFTHWALJIDI-UHFFFAOYSA-N 1 2 242.322 3.235 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCc1cscn1 ZINC000419000074 192097053 /nfs/dbraw/zinc/09/70/53/192097053.db2.gz VKRLXTMMJTWSSU-UHFFFAOYSA-N 1 2 248.351 3.030 20 0 BGADLO C[C@H]1[C@@H](C)N(c2[nH]c3ccccc3[nH+]2)C[C@H]1C ZINC000419000980 192096569 /nfs/dbraw/zinc/09/65/69/192096569.db2.gz ACUSNMUXJGFBIL-GMTAPVOTSA-N 1 2 229.327 3.044 20 0 BGADLO C[C@@H]1[C@H](C)CN(c2[nH]c3ccccc3[nH+]2)[C@H]1C ZINC000419000983 192096593 /nfs/dbraw/zinc/09/65/93/192096593.db2.gz ACUSNMUXJGFBIL-MXWKQRLJSA-N 1 2 229.327 3.044 20 0 BGADLO C[C@@H]1[C@@H](C)[C@H](C)CN1c1[nH]c2ccccc2[nH+]1 ZINC000419000985 192096701 /nfs/dbraw/zinc/09/67/01/192096701.db2.gz ACUSNMUXJGFBIL-OUAUKWLOSA-N 1 2 229.327 3.044 20 0 BGADLO C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)[C@@H](C)[C@H]1C ZINC000419000987 192096524 /nfs/dbraw/zinc/09/65/24/192096524.db2.gz ACUSNMUXJGFBIL-VWYCJHECSA-N 1 2 229.327 3.044 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCC1CCOCC1 ZINC000419002121 192097798 /nfs/dbraw/zinc/09/77/98/192097798.db2.gz WRYDSLHCFYZBLG-UHFFFAOYSA-N 1 2 249.354 3.148 20 0 BGADLO C[C@@H]1[C@@H](C)[C@H](C)CN1c1[nH+]c2ccccc2n1C ZINC000419002461 192097669 /nfs/dbraw/zinc/09/76/69/192097669.db2.gz CDNMRNHWSHISLV-GRYCIOLGSA-N 1 2 243.354 3.054 20 0 BGADLO C[C@H]1[C@@H](C)N(c2[nH+]c3ccccc3n2C)C[C@H]1C ZINC000419002469 192097533 /nfs/dbraw/zinc/09/75/33/192097533.db2.gz CDNMRNHWSHISLV-IJLUTSLNSA-N 1 2 243.354 3.054 20 0 BGADLO C[C@@H]1[C@H](C)CN(c2[nH+]c3ccccc3n2C)[C@H]1C ZINC000419002471 192097237 /nfs/dbraw/zinc/09/72/37/192097237.db2.gz CDNMRNHWSHISLV-UTUOFQBUSA-N 1 2 243.354 3.054 20 0 BGADLO C[C@@H]1CN(c2[nH+]c3ccccc3n2C)[C@@H](C)[C@H]1C ZINC000419002473 192097260 /nfs/dbraw/zinc/09/72/60/192097260.db2.gz CDNMRNHWSHISLV-WOPDTQHZSA-N 1 2 243.354 3.054 20 0 BGADLO C[C@@H]1[C@@H](C)[C@H](C)CN1c1cc[nH+]c2ccncc21 ZINC000419002915 192097810 /nfs/dbraw/zinc/09/78/10/192097810.db2.gz CQFHYSDGEDXCHU-GRYCIOLGSA-N 1 2 241.338 3.111 20 0 BGADLO C[C@H]1[C@@H](C)N(c2cc[nH+]c3ccncc32)C[C@H]1C ZINC000419002916 192097666 /nfs/dbraw/zinc/09/76/66/192097666.db2.gz CQFHYSDGEDXCHU-IJLUTSLNSA-N 1 2 241.338 3.111 20 0 BGADLO C[C@@H]1[C@H](C)CN(c2cc[nH+]c3ccncc32)[C@H]1C ZINC000419002917 192097365 /nfs/dbraw/zinc/09/73/65/192097365.db2.gz CQFHYSDGEDXCHU-UTUOFQBUSA-N 1 2 241.338 3.111 20 0 BGADLO C[C@@H]1CN(c2cc[nH+]c3ccncc32)[C@@H](C)[C@H]1C ZINC000419002918 192097807 /nfs/dbraw/zinc/09/78/07/192097807.db2.gz CQFHYSDGEDXCHU-WOPDTQHZSA-N 1 2 241.338 3.111 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000419014439 192094210 /nfs/dbraw/zinc/09/42/10/192094210.db2.gz IQXBLZJNHQLVRU-QJPTWQEYSA-N 1 2 233.359 3.081 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)[C@H](C)[C@H]2C)cc[nH+]1 ZINC000419014440 192094257 /nfs/dbraw/zinc/09/42/57/192094257.db2.gz IQXBLZJNHQLVRU-SDDRHHMPSA-N 1 2 233.359 3.081 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000419014441 192094180 /nfs/dbraw/zinc/09/41/80/192094180.db2.gz IQXBLZJNHQLVRU-SRVKXCTJSA-N 1 2 233.359 3.081 20 0 BGADLO CC(C)c1nc(N2C[C@H](C)[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000419014442 192093973 /nfs/dbraw/zinc/09/39/73/192093973.db2.gz IQXBLZJNHQLVRU-TUAOUCFPSA-N 1 2 233.359 3.081 20 0 BGADLO COCCCCN(C)c1ccc2ccccc2[nH+]1 ZINC000419021428 192094584 /nfs/dbraw/zinc/09/45/84/192094584.db2.gz MFGRUNUKNNHLOZ-UHFFFAOYSA-N 1 2 244.338 3.098 20 0 BGADLO Cc1cc(N2C[C@H](C)[C@H](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000419023957 192094777 /nfs/dbraw/zinc/09/47/77/192094777.db2.gz WYEZFRZIUDVUSM-DLOVCJGASA-N 1 2 245.370 3.143 20 0 BGADLO Cc1cc(N2C[C@H](C)[C@@H](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000419023964 192094914 /nfs/dbraw/zinc/09/49/14/192094914.db2.gz WYEZFRZIUDVUSM-MVWJERBFSA-N 1 2 245.370 3.143 20 0 BGADLO Cc1cc(N2C[C@H](C)[C@@H](C)[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000419023965 192094953 /nfs/dbraw/zinc/09/49/53/192094953.db2.gz WYEZFRZIUDVUSM-WCQGTBRESA-N 1 2 245.370 3.143 20 0 BGADLO Cc1cc(N2C[C@H](C)[C@H](C)[C@H]2C)nc(C2CC2)[nH+]1 ZINC000419023966 192095058 /nfs/dbraw/zinc/09/50/58/192095058.db2.gz WYEZFRZIUDVUSM-ZMLRMANQSA-N 1 2 245.370 3.143 20 0 BGADLO CCC[N@@H+](CC(F)F)C[C@@H](CC(C)C)OC ZINC000419181416 192108903 /nfs/dbraw/zinc/10/89/03/192108903.db2.gz BETYNYISKVDAOK-LLVKDONJSA-N 1 2 237.334 3.025 20 0 BGADLO CCC[N@H+](CC(F)F)C[C@@H](CC(C)C)OC ZINC000419181416 192108902 /nfs/dbraw/zinc/10/89/02/192108902.db2.gz BETYNYISKVDAOK-LLVKDONJSA-N 1 2 237.334 3.025 20 0 BGADLO CCC[N@@H+](CC(F)F)C[C@H](CC(C)C)OC ZINC000419181417 192108334 /nfs/dbraw/zinc/10/83/34/192108334.db2.gz BETYNYISKVDAOK-NSHDSACASA-N 1 2 237.334 3.025 20 0 BGADLO CCC[N@H+](CC(F)F)C[C@H](CC(C)C)OC ZINC000419181417 192108333 /nfs/dbraw/zinc/10/83/33/192108333.db2.gz BETYNYISKVDAOK-NSHDSACASA-N 1 2 237.334 3.025 20 0 BGADLO CC[C@@H]([NH2+]C(CF)CF)c1ccc(F)cc1 ZINC000419207694 192104187 /nfs/dbraw/zinc/10/41/87/192104187.db2.gz PISZMHYFMZCMKW-GFCCVEGCSA-N 1 2 231.261 3.174 20 0 BGADLO CC[C@H]([NH2+]C(CF)CF)c1ccc(F)cc1 ZINC000419207695 192104163 /nfs/dbraw/zinc/10/41/63/192104163.db2.gz PISZMHYFMZCMKW-LBPRGKRZSA-N 1 2 231.261 3.174 20 0 BGADLO CC[C@@H]([NH2+]C(CF)CF)c1ccc(F)cc1F ZINC000419209226 192104350 /nfs/dbraw/zinc/10/43/50/192104350.db2.gz SPDJDSULIVBZQK-GFCCVEGCSA-N 1 2 249.251 3.313 20 0 BGADLO CC[C@H]([NH2+]C(CF)CF)c1ccc(F)cc1F ZINC000419209227 192103944 /nfs/dbraw/zinc/10/39/44/192103944.db2.gz SPDJDSULIVBZQK-LBPRGKRZSA-N 1 2 249.251 3.313 20 0 BGADLO CC[C@@H]([NH2+]C(CF)CF)c1ccccc1 ZINC000419210986 192104784 /nfs/dbraw/zinc/10/47/84/192104784.db2.gz WIESWSJXJKIBPL-GFCCVEGCSA-N 1 2 213.271 3.035 20 0 BGADLO CC[C@H]([NH2+]C(CF)CF)c1ccccc1 ZINC000419210987 192105032 /nfs/dbraw/zinc/10/50/32/192105032.db2.gz WIESWSJXJKIBPL-LBPRGKRZSA-N 1 2 213.271 3.035 20 0 BGADLO CO[C@H](CC(C)C)C[N@@H+](CC(F)F)C(C)C ZINC000419226763 192107528 /nfs/dbraw/zinc/10/75/28/192107528.db2.gz DVMOZJDXMGISHN-LLVKDONJSA-N 1 2 237.334 3.023 20 0 BGADLO CO[C@H](CC(C)C)C[N@H+](CC(F)F)C(C)C ZINC000419226763 192107526 /nfs/dbraw/zinc/10/75/26/192107526.db2.gz DVMOZJDXMGISHN-LLVKDONJSA-N 1 2 237.334 3.023 20 0 BGADLO CO[C@@H](CC(C)C)C[N@@H+](CC(F)F)C(C)C ZINC000419226764 192107711 /nfs/dbraw/zinc/10/77/11/192107711.db2.gz DVMOZJDXMGISHN-NSHDSACASA-N 1 2 237.334 3.023 20 0 BGADLO CO[C@@H](CC(C)C)C[N@H+](CC(F)F)C(C)C ZINC000419226764 192107709 /nfs/dbraw/zinc/10/77/09/192107709.db2.gz DVMOZJDXMGISHN-NSHDSACASA-N 1 2 237.334 3.023 20 0 BGADLO CO[C@H](CC(C)C)C[N@H+]1CCCC[C@H]1C(F)F ZINC000419286312 192116536 /nfs/dbraw/zinc/11/65/36/192116536.db2.gz FGRKZDNPPZIMIZ-NEPJUHHUSA-N 1 2 249.345 3.167 20 0 BGADLO CO[C@H](CC(C)C)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000419286312 192116534 /nfs/dbraw/zinc/11/65/34/192116534.db2.gz FGRKZDNPPZIMIZ-NEPJUHHUSA-N 1 2 249.345 3.167 20 0 BGADLO CO[C@@H](CC(C)C)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000419286313 192118296 /nfs/dbraw/zinc/11/82/96/192118296.db2.gz FGRKZDNPPZIMIZ-NWDGAFQWSA-N 1 2 249.345 3.167 20 0 BGADLO CO[C@@H](CC(C)C)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000419286313 192118294 /nfs/dbraw/zinc/11/82/94/192118294.db2.gz FGRKZDNPPZIMIZ-NWDGAFQWSA-N 1 2 249.345 3.167 20 0 BGADLO CO[C@@H](CC(C)C)C[N@H+]1CCCC[C@H]1C(F)F ZINC000419286314 192117850 /nfs/dbraw/zinc/11/78/50/192117850.db2.gz FGRKZDNPPZIMIZ-RYUDHWBXSA-N 1 2 249.345 3.167 20 0 BGADLO CO[C@@H](CC(C)C)C[N@@H+]1CCCC[C@H]1C(F)F ZINC000419286314 192117849 /nfs/dbraw/zinc/11/78/49/192117849.db2.gz FGRKZDNPPZIMIZ-RYUDHWBXSA-N 1 2 249.345 3.167 20 0 BGADLO CO[C@H](CC(C)C)C[N@H+]1CCCC[C@@H]1C(F)F ZINC000419286315 192117633 /nfs/dbraw/zinc/11/76/33/192117633.db2.gz FGRKZDNPPZIMIZ-VXGBXAGGSA-N 1 2 249.345 3.167 20 0 BGADLO CO[C@H](CC(C)C)C[N@@H+]1CCCC[C@@H]1C(F)F ZINC000419286315 192117632 /nfs/dbraw/zinc/11/76/32/192117632.db2.gz FGRKZDNPPZIMIZ-VXGBXAGGSA-N 1 2 249.345 3.167 20 0 BGADLO CC[C@H](C[NH2+][C@@H](c1ccccc1)C(F)F)OC ZINC000419293429 192118937 /nfs/dbraw/zinc/11/89/37/192118937.db2.gz UVSUFUJQCAEQSE-NEPJUHHUSA-N 1 2 243.297 3.007 20 0 BGADLO CC[C@@H](C[NH2+][C@H](c1ccccc1)C(F)F)OC ZINC000419293430 192119087 /nfs/dbraw/zinc/11/90/87/192119087.db2.gz UVSUFUJQCAEQSE-NWDGAFQWSA-N 1 2 243.297 3.007 20 0 BGADLO CC[C@@H](C[NH2+][C@@H](c1ccccc1)C(F)F)OC ZINC000419293431 192119083 /nfs/dbraw/zinc/11/90/83/192119083.db2.gz UVSUFUJQCAEQSE-RYUDHWBXSA-N 1 2 243.297 3.007 20 0 BGADLO CC[C@H](C[NH2+][C@H](c1ccccc1)C(F)F)OC ZINC000419293432 192118940 /nfs/dbraw/zinc/11/89/40/192118940.db2.gz UVSUFUJQCAEQSE-VXGBXAGGSA-N 1 2 243.297 3.007 20 0 BGADLO CC[C@H](CSCc1ccc(C)[nH+]c1C)OC ZINC000419465534 192137713 /nfs/dbraw/zinc/13/77/13/192137713.db2.gz QYECIIAKWBXAGC-CYBMUJFWSA-N 1 2 239.384 3.357 20 0 BGADLO CC[C@@H](CSCc1ccc(C)[nH+]c1C)OC ZINC000419465535 192137600 /nfs/dbraw/zinc/13/76/00/192137600.db2.gz QYECIIAKWBXAGC-ZDUSSCGKSA-N 1 2 239.384 3.357 20 0 BGADLO c1cn(CCSCC2=CCCCC2)c[nH+]1 ZINC000419596560 192143022 /nfs/dbraw/zinc/14/30/22/192143022.db2.gz NUUHLMNYJXCYIH-UHFFFAOYSA-N 1 2 222.357 3.117 20 0 BGADLO Cc1ccc(CSCCn2cc[nH+]c2)c(C)c1 ZINC000419630154 192144104 /nfs/dbraw/zinc/14/41/04/192144104.db2.gz CPUNZOHXFCOTIS-UHFFFAOYSA-N 1 2 246.379 3.433 20 0 BGADLO CC/C(C)=C\c1nc(Cc2ccc[nH+]c2C)no1 ZINC000420509659 192245808 /nfs/dbraw/zinc/24/58/08/192245808.db2.gz FWGXSAFOZYMKJS-NTMALXAHSA-N 1 2 243.310 3.177 20 0 BGADLO CC/C=C(\C)c1nc(Cc2ccc[nH+]c2C)no1 ZINC000420509673 192246116 /nfs/dbraw/zinc/24/61/16/192246116.db2.gz FXXWAVZCDSXNMC-UXBLZVDNSA-N 1 2 243.310 3.177 20 0 BGADLO c1ccc(N2CC[C@@H](C3CCCC3)C2)[nH+]c1 ZINC000420627340 192251039 /nfs/dbraw/zinc/25/10/39/192251039.db2.gz ZNNZQNDYXCEFPN-CYBMUJFWSA-N 1 2 216.328 3.098 20 0 BGADLO c1ccc(N2CC[C@H](C3CCCC3)C2)[nH+]c1 ZINC000420627342 192251025 /nfs/dbraw/zinc/25/10/25/192251025.db2.gz ZNNZQNDYXCEFPN-ZDUSSCGKSA-N 1 2 216.328 3.098 20 0 BGADLO C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H](O)C2)c2ccccc21 ZINC000420923101 192274016 /nfs/dbraw/zinc/27/40/16/192274016.db2.gz PIWAESYRVKYNJB-MCIONIFRSA-N 1 2 245.366 3.161 20 0 BGADLO C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H](O)C2)c2ccccc21 ZINC000420923101 192274013 /nfs/dbraw/zinc/27/40/13/192274013.db2.gz PIWAESYRVKYNJB-MCIONIFRSA-N 1 2 245.366 3.161 20 0 BGADLO C[C@H]1CCC[N@@H+](C[C@H]2C[C@@H](O)C2)c2ccccc21 ZINC000420923102 192273827 /nfs/dbraw/zinc/27/38/27/192273827.db2.gz PIWAESYRVKYNJB-MELADBBJSA-N 1 2 245.366 3.161 20 0 BGADLO C[C@H]1CCC[N@H+](C[C@H]2C[C@@H](O)C2)c2ccccc21 ZINC000420923102 192273825 /nfs/dbraw/zinc/27/38/25/192273825.db2.gz PIWAESYRVKYNJB-MELADBBJSA-N 1 2 245.366 3.161 20 0 BGADLO CC(C)(C)C[N@@H+](C[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000420925047 388017240 /nfs/dbraw/zinc/01/72/40/388017240.db2.gz VFKOSYXMULZDFQ-OTVXOJSOSA-N 1 2 247.382 3.310 20 0 BGADLO CC(C)(C)C[N@H+](C[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000420925047 388017236 /nfs/dbraw/zinc/01/72/36/388017236.db2.gz VFKOSYXMULZDFQ-OTVXOJSOSA-N 1 2 247.382 3.310 20 0 BGADLO O[C@H]1C[C@@H](C[N@H+](c2ccccc2)C2CCCC2)C1 ZINC000420938806 192289379 /nfs/dbraw/zinc/28/93/79/192289379.db2.gz PTFJFGMKBSQBOF-AKAXFMLLSA-N 1 2 245.366 3.207 20 0 BGADLO O[C@H]1C[C@@H](C[N@@H+](c2ccccc2)C2CCCC2)C1 ZINC000420938806 192289377 /nfs/dbraw/zinc/28/93/77/192289377.db2.gz PTFJFGMKBSQBOF-AKAXFMLLSA-N 1 2 245.366 3.207 20 0 BGADLO O[C@H]1C[C@@H](C[N@@H+](CC2CCC2)c2ccccc2)C1 ZINC000420944298 192276035 /nfs/dbraw/zinc/27/60/35/192276035.db2.gz XWUWTIVPIRPEEB-FZNQNYSPSA-N 1 2 245.366 3.064 20 0 BGADLO O[C@H]1C[C@@H](C[N@H+](CC2CCC2)c2ccccc2)C1 ZINC000420944298 192276032 /nfs/dbraw/zinc/27/60/32/192276032.db2.gz XWUWTIVPIRPEEB-FZNQNYSPSA-N 1 2 245.366 3.064 20 0 BGADLO Cc1ccc(C)c([N@H+](C[C@H]2C[C@@H](O)C2)C(C)C)c1 ZINC000420944299 192276115 /nfs/dbraw/zinc/27/61/15/192276115.db2.gz XXAGGNGVRGQYDN-GASCZTMLSA-N 1 2 247.382 3.289 20 0 BGADLO Cc1ccc(C)c([N@@H+](C[C@H]2C[C@@H](O)C2)C(C)C)c1 ZINC000420944299 192276112 /nfs/dbraw/zinc/27/61/12/192276112.db2.gz XXAGGNGVRGQYDN-GASCZTMLSA-N 1 2 247.382 3.289 20 0 BGADLO CCCC[C@H](C)[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420981982 192290326 /nfs/dbraw/zinc/29/03/26/192290326.db2.gz ZKCZBVTYHFICAJ-JTQLQIEISA-N 1 2 243.782 3.084 20 0 BGADLO CCCC[C@H](C)[N@H+](C)Cc1nn(C)cc1Cl ZINC000420981982 192290323 /nfs/dbraw/zinc/29/03/23/192290323.db2.gz ZKCZBVTYHFICAJ-JTQLQIEISA-N 1 2 243.782 3.084 20 0 BGADLO CCCC[C@@H](C)[N@@H+](C)Cc1nn(C)cc1Cl ZINC000420981983 192289771 /nfs/dbraw/zinc/28/97/71/192289771.db2.gz ZKCZBVTYHFICAJ-SNVBAGLBSA-N 1 2 243.782 3.084 20 0 BGADLO CCCC[C@@H](C)[N@H+](C)Cc1nn(C)cc1Cl ZINC000420981983 192289768 /nfs/dbraw/zinc/28/97/68/192289768.db2.gz ZKCZBVTYHFICAJ-SNVBAGLBSA-N 1 2 243.782 3.084 20 0 BGADLO CC[C@@H](C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000421119473 192312007 /nfs/dbraw/zinc/31/20/07/192312007.db2.gz WOMGAXGAXLNKDF-SECBINFHSA-N 1 2 249.358 3.174 20 0 BGADLO CC[C@H](C)CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000421119477 192312156 /nfs/dbraw/zinc/31/21/56/192312156.db2.gz WOMGAXGAXLNKDF-VIFPVBQESA-N 1 2 249.358 3.174 20 0 BGADLO C[N@@H+](Cc1ccon1)Cc1cccc(C2CC2)c1 ZINC000421319339 192316738 /nfs/dbraw/zinc/31/67/38/192316738.db2.gz MFQFPHMEKVMDIN-UHFFFAOYSA-N 1 2 242.322 3.184 20 0 BGADLO C[N@H+](Cc1ccon1)Cc1cccc(C2CC2)c1 ZINC000421319339 192316736 /nfs/dbraw/zinc/31/67/36/192316736.db2.gz MFQFPHMEKVMDIN-UHFFFAOYSA-N 1 2 242.322 3.184 20 0 BGADLO CCCC[N@@H+](CC)Cc1nn(C)c(C)c1Cl ZINC000421328306 192318031 /nfs/dbraw/zinc/31/80/31/192318031.db2.gz LRUDILPCBXLZDP-UHFFFAOYSA-N 1 2 243.782 3.004 20 0 BGADLO CCCC[N@H+](CC)Cc1nn(C)c(C)c1Cl ZINC000421328306 192318028 /nfs/dbraw/zinc/31/80/28/192318028.db2.gz LRUDILPCBXLZDP-UHFFFAOYSA-N 1 2 243.782 3.004 20 0 BGADLO CCC[C@@H](C)[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421330460 192317599 /nfs/dbraw/zinc/31/75/99/192317599.db2.gz QVZZYWFKSYYSMJ-SECBINFHSA-N 1 2 243.782 3.002 20 0 BGADLO CCC[C@@H](C)[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421330460 192317597 /nfs/dbraw/zinc/31/75/97/192317597.db2.gz QVZZYWFKSYYSMJ-SECBINFHSA-N 1 2 243.782 3.002 20 0 BGADLO CCC[C@H](C)[N@@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421330461 192317499 /nfs/dbraw/zinc/31/74/99/192317499.db2.gz QVZZYWFKSYYSMJ-VIFPVBQESA-N 1 2 243.782 3.002 20 0 BGADLO CCC[C@H](C)[N@H+](C)Cc1nn(C)c(C)c1Cl ZINC000421330461 192317497 /nfs/dbraw/zinc/31/74/97/192317497.db2.gz QVZZYWFKSYYSMJ-VIFPVBQESA-N 1 2 243.782 3.002 20 0 BGADLO FC(F)C1([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421352682 192320958 /nfs/dbraw/zinc/32/09/58/192320958.db2.gz DPIDYCDPOQLRIL-UHFFFAOYSA-N 1 2 237.293 3.451 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)[nH+]1 ZINC000421517247 192353595 /nfs/dbraw/zinc/35/35/95/192353595.db2.gz IFBIVXXYIKXSKD-JHJVBQTASA-N 1 2 244.338 3.073 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC000421517249 192353521 /nfs/dbraw/zinc/35/35/21/192353521.db2.gz IFBIVXXYIKXSKD-XQQFMLRXSA-N 1 2 244.338 3.073 20 0 BGADLO CC[C@@H](C)CCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574619 192364600 /nfs/dbraw/zinc/36/46/00/192364600.db2.gz HCGHPASGWGQGRF-LLVKDONJSA-N 1 2 248.370 3.141 20 0 BGADLO CC[C@H](C)CCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421574620 192364421 /nfs/dbraw/zinc/36/44/21/192364421.db2.gz HCGHPASGWGQGRF-NSHDSACASA-N 1 2 248.370 3.141 20 0 BGADLO Cc1cc(CNC(=O)CCCC(C)C)cc(C)[nH+]1 ZINC000421575261 192364575 /nfs/dbraw/zinc/36/45/75/192364575.db2.gz JKSLKRUZDHNXPA-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO Cc1cc(CNC(=O)CCC(C)(C)C)cc(C)[nH+]1 ZINC000421577270 192355522 /nfs/dbraw/zinc/35/55/22/192355522.db2.gz OQJRHSQHJAIBGU-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO CCC(CC)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421577964 192355747 /nfs/dbraw/zinc/35/57/47/192355747.db2.gz QCHZLSUSYVPCAW-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO CCC[C@@H](C)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421579268 192355918 /nfs/dbraw/zinc/35/59/18/192355918.db2.gz UANSHTYMOKOJCG-LLVKDONJSA-N 1 2 248.370 3.141 20 0 BGADLO CCC[C@H](C)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421579270 192355686 /nfs/dbraw/zinc/35/56/86/192355686.db2.gz UANSHTYMOKOJCG-NSHDSACASA-N 1 2 248.370 3.141 20 0 BGADLO CCC(C)(C)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421580841 192356816 /nfs/dbraw/zinc/35/68/16/192356816.db2.gz XBVOYQNNHRKTAN-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO CCCC[C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421581533 192357021 /nfs/dbraw/zinc/35/70/21/192357021.db2.gz YYLUSLQFEVPOOR-LLVKDONJSA-N 1 2 248.370 3.141 20 0 BGADLO CCCC[C@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421581536 192356911 /nfs/dbraw/zinc/35/69/11/192356911.db2.gz YYLUSLQFEVPOOR-NSHDSACASA-N 1 2 248.370 3.141 20 0 BGADLO C[C@@H]([NH2+]Cc1ccco1)c1ccncc1Cl ZINC000421804672 192384551 /nfs/dbraw/zinc/38/45/51/192384551.db2.gz USRAZIGYUJJEHG-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO C[C@H]([NH2+]Cc1ccco1)c1ccncc1Cl ZINC000421804676 192384254 /nfs/dbraw/zinc/38/42/54/192384254.db2.gz USRAZIGYUJJEHG-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO Fc1c[nH+]ccc1NCc1cccc(C2CC2)c1 ZINC000421816903 192389039 /nfs/dbraw/zinc/38/90/39/192389039.db2.gz ZCIQBNXUEGXNDD-UHFFFAOYSA-N 1 2 242.297 3.132 20 0 BGADLO COC1([C@@H](C)Nc2ccc(C)[nH+]c2)CCCC1 ZINC000421835182 192390824 /nfs/dbraw/zinc/39/08/24/192390824.db2.gz MFEBYBQIEAOJSI-GFCCVEGCSA-N 1 2 234.343 3.150 20 0 BGADLO COC1([C@H](C)Nc2ccc(C)[nH+]c2)CCCC1 ZINC000421835184 192391556 /nfs/dbraw/zinc/39/15/56/192391556.db2.gz MFEBYBQIEAOJSI-LBPRGKRZSA-N 1 2 234.343 3.150 20 0 BGADLO Cc1cccnc1SCCc1cc[nH+]cc1C ZINC000421835233 192391351 /nfs/dbraw/zinc/39/13/51/192391351.db2.gz DOZKGBHYXJUDJV-UHFFFAOYSA-N 1 2 244.363 3.428 20 0 BGADLO Cc1ccc(SCCc2cc[nH+]cc2C)nc1 ZINC000421844649 192393393 /nfs/dbraw/zinc/39/33/93/192393393.db2.gz ONDHTMFEJOYHFS-UHFFFAOYSA-N 1 2 244.363 3.428 20 0 BGADLO c1cc(N[C@@H]2CC[C@H]2C2CC2)cc2c1[NH2+]CC2 ZINC000423204923 384760743 /nfs/dbraw/zinc/76/07/43/384760743.db2.gz AVBTUXIIBHLKBI-DZGCQCFKSA-N 1 2 228.339 3.255 20 0 BGADLO c1cc([NH2+][C@@H]2CC[C@H]2C2CC2)cc2c1NCC2 ZINC000423204923 384760737 /nfs/dbraw/zinc/76/07/37/384760737.db2.gz AVBTUXIIBHLKBI-DZGCQCFKSA-N 1 2 228.339 3.255 20 0 BGADLO c1cc(N[C@H]2CC[C@@H]2C2CC2)cc2c1[NH2+]CC2 ZINC000423204924 384761800 /nfs/dbraw/zinc/76/18/00/384761800.db2.gz AVBTUXIIBHLKBI-HIFRSBDPSA-N 1 2 228.339 3.255 20 0 BGADLO c1cc([NH2+][C@H]2CC[C@@H]2C2CC2)cc2c1NCC2 ZINC000423204924 384761794 /nfs/dbraw/zinc/76/17/94/384761794.db2.gz AVBTUXIIBHLKBI-HIFRSBDPSA-N 1 2 228.339 3.255 20 0 BGADLO c1cc(N[C@@H]2CC[C@@H]2C2CC2)cc2c1[NH2+]CC2 ZINC000423204925 384761312 /nfs/dbraw/zinc/76/13/12/384761312.db2.gz AVBTUXIIBHLKBI-UKRRQHHQSA-N 1 2 228.339 3.255 20 0 BGADLO c1cc([NH2+][C@@H]2CC[C@@H]2C2CC2)cc2c1NCC2 ZINC000423204925 384761307 /nfs/dbraw/zinc/76/13/07/384761307.db2.gz AVBTUXIIBHLKBI-UKRRQHHQSA-N 1 2 228.339 3.255 20 0 BGADLO c1cc(N[C@H]2CC[C@H]2C2CC2)cc2c1[NH2+]CC2 ZINC000423204926 384761394 /nfs/dbraw/zinc/76/13/94/384761394.db2.gz AVBTUXIIBHLKBI-ZFWWWQNUSA-N 1 2 228.339 3.255 20 0 BGADLO c1cc([NH2+][C@H]2CC[C@H]2C2CC2)cc2c1NCC2 ZINC000423204926 384761386 /nfs/dbraw/zinc/76/13/86/384761386.db2.gz AVBTUXIIBHLKBI-ZFWWWQNUSA-N 1 2 228.339 3.255 20 0 BGADLO c1cc(N[C@H]2CCC23CCC3)cc2c1[NH2+]CC2 ZINC000423208109 387994281 /nfs/dbraw/zinc/99/42/81/387994281.db2.gz DAAUGVPSBRDQST-AWEZNQCLSA-N 1 2 228.339 3.399 20 0 BGADLO c1cc([NH2+][C@H]2CCC23CCC3)cc2c1NCC2 ZINC000423208109 387994278 /nfs/dbraw/zinc/99/42/78/387994278.db2.gz DAAUGVPSBRDQST-AWEZNQCLSA-N 1 2 228.339 3.399 20 0 BGADLO c1cc(N[C@@H]2CCC23CCC3)cc2c1[NH2+]CC2 ZINC000423208110 387993279 /nfs/dbraw/zinc/99/32/79/387993279.db2.gz DAAUGVPSBRDQST-CQSZACIVSA-N 1 2 228.339 3.399 20 0 BGADLO c1cc([NH2+][C@@H]2CCC23CCC3)cc2c1NCC2 ZINC000423208110 387993276 /nfs/dbraw/zinc/99/32/76/387993276.db2.gz DAAUGVPSBRDQST-CQSZACIVSA-N 1 2 228.339 3.399 20 0 BGADLO C[C@H](Cc1ccoc1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423208174 387994244 /nfs/dbraw/zinc/99/42/44/387994244.db2.gz DFJLYFLGJWZVHT-LLVKDONJSA-N 1 2 242.322 3.291 20 0 BGADLO C[C@H](Cc1ccoc1)[NH2+]c1ccc2c(c1)CCN2 ZINC000423208174 387994242 /nfs/dbraw/zinc/99/42/42/387994242.db2.gz DFJLYFLGJWZVHT-LLVKDONJSA-N 1 2 242.322 3.291 20 0 BGADLO C[C@@H](Cc1ccoc1)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423208175 387992893 /nfs/dbraw/zinc/99/28/93/387992893.db2.gz DFJLYFLGJWZVHT-NSHDSACASA-N 1 2 242.322 3.291 20 0 BGADLO C[C@@H](Cc1ccoc1)[NH2+]c1ccc2c(c1)CCN2 ZINC000423208175 387992889 /nfs/dbraw/zinc/99/28/89/387992889.db2.gz DFJLYFLGJWZVHT-NSHDSACASA-N 1 2 242.322 3.291 20 0 BGADLO CCC1CC(Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000423211846 387994882 /nfs/dbraw/zinc/99/48/82/387994882.db2.gz HKZFHLFYYXHEOH-UHFFFAOYSA-N 1 2 216.328 3.255 20 0 BGADLO CCC1CC([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000423211846 387994877 /nfs/dbraw/zinc/99/48/77/387994877.db2.gz HKZFHLFYYXHEOH-UHFFFAOYSA-N 1 2 216.328 3.255 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)[C@H]1C ZINC000423211857 387995655 /nfs/dbraw/zinc/99/56/55/387995655.db2.gz HMGQBSJVPRFBNW-BFVZDQMLSA-N 1 2 216.328 3.111 20 0 BGADLO C[C@@H]1C[C@H]([NH2+]c2ccc3c(c2)CCN3)[C@H]1C ZINC000423211857 387995653 /nfs/dbraw/zinc/99/56/53/387995653.db2.gz HMGQBSJVPRFBNW-BFVZDQMLSA-N 1 2 216.328 3.111 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)[C@@H]1C ZINC000423211858 387995810 /nfs/dbraw/zinc/99/58/10/387995810.db2.gz HMGQBSJVPRFBNW-GPCCPHFNSA-N 1 2 216.328 3.111 20 0 BGADLO C[C@@H]1C[C@@H]([NH2+]c2ccc3c(c2)CCN3)[C@@H]1C ZINC000423211858 387995807 /nfs/dbraw/zinc/99/58/07/387995807.db2.gz HMGQBSJVPRFBNW-GPCCPHFNSA-N 1 2 216.328 3.111 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)[C@H]1C ZINC000423211859 387994910 /nfs/dbraw/zinc/99/49/10/387994910.db2.gz HMGQBSJVPRFBNW-ISTVAULSSA-N 1 2 216.328 3.111 20 0 BGADLO C[C@@H]1C[C@@H]([NH2+]c2ccc3c(c2)CCN3)[C@H]1C ZINC000423211859 387994904 /nfs/dbraw/zinc/99/49/04/387994904.db2.gz HMGQBSJVPRFBNW-ISTVAULSSA-N 1 2 216.328 3.111 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)[C@@H]1C ZINC000423211860 387995448 /nfs/dbraw/zinc/99/54/48/387995448.db2.gz HMGQBSJVPRFBNW-RULNRJAQSA-N 1 2 216.328 3.111 20 0 BGADLO C[C@@H]1C[C@H]([NH2+]c2ccc3c(c2)CCN3)[C@@H]1C ZINC000423211860 387995444 /nfs/dbraw/zinc/99/54/44/387995444.db2.gz HMGQBSJVPRFBNW-RULNRJAQSA-N 1 2 216.328 3.111 20 0 BGADLO CC1(C)CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423217089 388000481 /nfs/dbraw/zinc/00/04/81/388000481.db2.gz PITHWQOVACGWQV-CYBMUJFWSA-N 1 2 216.328 3.255 20 0 BGADLO CC1(C)CC[C@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000423217089 388000477 /nfs/dbraw/zinc/00/04/77/388000477.db2.gz PITHWQOVACGWQV-CYBMUJFWSA-N 1 2 216.328 3.255 20 0 BGADLO CC1(C)CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423217090 387999073 /nfs/dbraw/zinc/99/90/73/387999073.db2.gz PITHWQOVACGWQV-ZDUSSCGKSA-N 1 2 216.328 3.255 20 0 BGADLO CC1(C)CC[C@@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000423217090 387999068 /nfs/dbraw/zinc/99/90/68/387999068.db2.gz PITHWQOVACGWQV-ZDUSSCGKSA-N 1 2 216.328 3.255 20 0 BGADLO COC[C@H](CC(C)C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423217550 387999653 /nfs/dbraw/zinc/99/96/53/387999653.db2.gz QEAZYGJZEAQUDA-AWEZNQCLSA-N 1 2 248.370 3.128 20 0 BGADLO COC[C@@H](CC(C)C)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423217551 388000673 /nfs/dbraw/zinc/00/06/73/388000673.db2.gz QEAZYGJZEAQUDA-CQSZACIVSA-N 1 2 248.370 3.128 20 0 BGADLO CC[C@H]1CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219496 388000395 /nfs/dbraw/zinc/00/03/95/388000395.db2.gz TZNJYZYOHAYBII-HZMBPMFUSA-N 1 2 216.328 3.255 20 0 BGADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000423219496 388000393 /nfs/dbraw/zinc/00/03/93/388000393.db2.gz TZNJYZYOHAYBII-HZMBPMFUSA-N 1 2 216.328 3.255 20 0 BGADLO CC[C@H]1CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219497 387999693 /nfs/dbraw/zinc/99/96/93/387999693.db2.gz TZNJYZYOHAYBII-IINYFYTJSA-N 1 2 216.328 3.255 20 0 BGADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000423219497 387999687 /nfs/dbraw/zinc/99/96/87/387999687.db2.gz TZNJYZYOHAYBII-IINYFYTJSA-N 1 2 216.328 3.255 20 0 BGADLO CC[C@@H]1CC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219498 387999007 /nfs/dbraw/zinc/99/90/07/387999007.db2.gz TZNJYZYOHAYBII-QMTHXVAHSA-N 1 2 216.328 3.255 20 0 BGADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000423219498 387999005 /nfs/dbraw/zinc/99/90/05/387999005.db2.gz TZNJYZYOHAYBII-QMTHXVAHSA-N 1 2 216.328 3.255 20 0 BGADLO CC[C@@H]1CC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000423219499 387999242 /nfs/dbraw/zinc/99/92/42/387999242.db2.gz TZNJYZYOHAYBII-YGRLFVJLSA-N 1 2 216.328 3.255 20 0 BGADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000423219499 387999239 /nfs/dbraw/zinc/99/92/39/387999239.db2.gz TZNJYZYOHAYBII-YGRLFVJLSA-N 1 2 216.328 3.255 20 0 BGADLO CCCC[C@@H](COC)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423222154 388001640 /nfs/dbraw/zinc/00/16/40/388001640.db2.gz ZXLPAJFJEQIGJS-AWEZNQCLSA-N 1 2 248.370 3.272 20 0 BGADLO CCCC[C@H](COC)Nc1ccc2c(c1)CC[NH2+]2 ZINC000423222155 388002229 /nfs/dbraw/zinc/00/22/29/388002229.db2.gz ZXLPAJFJEQIGJS-CQSZACIVSA-N 1 2 248.370 3.272 20 0 BGADLO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000424181064 200879256 /nfs/dbraw/zinc/87/92/56/200879256.db2.gz ANXFARDZODCRPW-AEJSXWLSSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000424181066 387892691 /nfs/dbraw/zinc/89/26/91/387892691.db2.gz ANXFARDZODCRPW-GUBZILKMSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000424181068 387892735 /nfs/dbraw/zinc/89/27/35/387892735.db2.gz ANXFARDZODCRPW-IVZWLZJFSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000424181069 387893234 /nfs/dbraw/zinc/89/32/34/387893234.db2.gz ANXFARDZODCRPW-LPEHRKFASA-N 1 2 223.282 3.353 20 0 BGADLO C[C@@H]([NH2+]C[C@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000424185582 387903383 /nfs/dbraw/zinc/90/33/83/387903383.db2.gz PXLVPFKVHXBVEB-AEJSXWLSSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]([NH2+]C[C@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000424185584 387903772 /nfs/dbraw/zinc/90/37/72/387903772.db2.gz PXLVPFKVHXBVEB-GUBZILKMSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000424185587 387903673 /nfs/dbraw/zinc/90/36/73/387903673.db2.gz PXLVPFKVHXBVEB-IVZWLZJFSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000424185589 387903426 /nfs/dbraw/zinc/90/34/26/387903426.db2.gz PXLVPFKVHXBVEB-LPEHRKFASA-N 1 2 223.282 3.353 20 0 BGADLO F[C@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1ccco1 ZINC000424196619 387921988 /nfs/dbraw/zinc/92/19/88/387921988.db2.gz NIXPXTXTXHDBAG-KBPBESRZSA-N 1 2 231.270 3.007 20 0 BGADLO F[C@]1(c2ccccc2)C[C@H]1[NH2+]Cc1ccco1 ZINC000424196620 387923314 /nfs/dbraw/zinc/92/33/14/387923314.db2.gz NIXPXTXTXHDBAG-KGLIPLIRSA-N 1 2 231.270 3.007 20 0 BGADLO F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]Cc1ccco1 ZINC000424196621 200885800 /nfs/dbraw/zinc/88/58/00/200885800.db2.gz NIXPXTXTXHDBAG-UONOGXRCSA-N 1 2 231.270 3.007 20 0 BGADLO F[C@@]1(c2ccccc2)C[C@H]1[NH2+]Cc1ccco1 ZINC000424196622 387921979 /nfs/dbraw/zinc/92/19/79/387921979.db2.gz NIXPXTXTXHDBAG-ZIAGYGMSSA-N 1 2 231.270 3.007 20 0 BGADLO Cc1ccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)o1 ZINC000424201523 206034226 /nfs/dbraw/zinc/03/42/26/206034226.db2.gz SCXZTVKFKWLDFF-CABCVRRESA-N 1 2 245.297 3.315 20 0 BGADLO Cc1ccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)o1 ZINC000424201524 206035451 /nfs/dbraw/zinc/03/54/51/206035451.db2.gz SCXZTVKFKWLDFF-GJZGRUSLSA-N 1 2 245.297 3.315 20 0 BGADLO Cc1ccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)o1 ZINC000424202033 206035124 /nfs/dbraw/zinc/03/51/24/206035124.db2.gz SCXZTVKFKWLDFF-HUUCEWRRSA-N 1 2 245.297 3.315 20 0 BGADLO Cc1ccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)o1 ZINC000424202037 206035944 /nfs/dbraw/zinc/03/59/44/206035944.db2.gz SCXZTVKFKWLDFF-LSDHHAIUSA-N 1 2 245.297 3.315 20 0 BGADLO Cc1ccoc1C[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000424208156 387930273 /nfs/dbraw/zinc/93/02/73/387930273.db2.gz YBGOFPFKBHYXCJ-CABCVRRESA-N 1 2 245.297 3.315 20 0 BGADLO Cc1ccoc1C[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000424208158 387930133 /nfs/dbraw/zinc/93/01/33/387930133.db2.gz YBGOFPFKBHYXCJ-GJZGRUSLSA-N 1 2 245.297 3.315 20 0 BGADLO Cc1ccoc1C[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424208161 200888841 /nfs/dbraw/zinc/88/88/41/200888841.db2.gz YBGOFPFKBHYXCJ-HUUCEWRRSA-N 1 2 245.297 3.315 20 0 BGADLO Cc1ccoc1C[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000424208163 387929768 /nfs/dbraw/zinc/92/97/68/387929768.db2.gz YBGOFPFKBHYXCJ-LSDHHAIUSA-N 1 2 245.297 3.315 20 0 BGADLO CO[C@H]1C[C@H]2C[C@H](Nc3c[nH+]cc(C)c3)C[C@H]2C1 ZINC000424280071 387950315 /nfs/dbraw/zinc/95/03/15/387950315.db2.gz LJECIXHAIXRRCH-AKVJVIMFSA-N 1 2 246.354 3.006 20 0 BGADLO CO[C@H]1C[C@H]2C[C@@H](Nc3c[nH+]cc(C)c3)C[C@H]2C1 ZINC000424280072 387951249 /nfs/dbraw/zinc/95/12/49/387951249.db2.gz LJECIXHAIXRRCH-LAVKHLEISA-N 1 2 246.354 3.006 20 0 BGADLO CO[C@H]1C[C@H]2C[C@H](Nc3ccc[nH+]c3C)C[C@H]2C1 ZINC000424284894 387953506 /nfs/dbraw/zinc/95/35/06/387953506.db2.gz TZUJBNJUAOMJGC-COVPZLACSA-N 1 2 246.354 3.006 20 0 BGADLO CO[C@H]1C[C@H]2C[C@@H](Nc3ccc[nH+]c3C)C[C@H]2C1 ZINC000424284895 387953146 /nfs/dbraw/zinc/95/31/46/387953146.db2.gz TZUJBNJUAOMJGC-KPWCQOOUSA-N 1 2 246.354 3.006 20 0 BGADLO CO[C@H]1C[C@H]2C[C@H](Nc3ccc(C)[nH+]c3)C[C@H]2C1 ZINC000424294856 387956963 /nfs/dbraw/zinc/95/69/63/387956963.db2.gz XROHYFPFUVZLNH-AIXYUVMFSA-N 1 2 246.354 3.006 20 0 BGADLO CO[C@H]1C[C@H]2C[C@@H](Nc3ccc(C)[nH+]c3)C[C@H]2C1 ZINC000424294857 387957169 /nfs/dbraw/zinc/95/71/69/387957169.db2.gz XROHYFPFUVZLNH-CUFDPUGPSA-N 1 2 246.354 3.006 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(F)(F)F ZINC000424314223 387966748 /nfs/dbraw/zinc/96/67/48/387966748.db2.gz CAKTYXDLMHHOBA-FBIMIBRVSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(F)(F)F ZINC000424314224 387965730 /nfs/dbraw/zinc/96/57/30/387965730.db2.gz CAKTYXDLMHHOBA-IEBDPFPHSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C(F)(F)F ZINC000424314225 387966678 /nfs/dbraw/zinc/96/66/78/387966678.db2.gz CAKTYXDLMHHOBA-MIMYLULJSA-N 1 2 235.293 3.496 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(F)(F)F ZINC000424314324 387966692 /nfs/dbraw/zinc/96/66/92/387966692.db2.gz CGLYHQGHNXCJNB-DOLQZWNJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(F)(F)F ZINC000424314326 387966502 /nfs/dbraw/zinc/96/65/02/387966502.db2.gz CGLYHQGHNXCJNB-UTINFBMNSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(F)(F)F ZINC000424314328 200907125 /nfs/dbraw/zinc/90/71/25/200907125.db2.gz CGLYHQGHNXCJNB-XFWSIPNHSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(F)(F)F ZINC000424314329 387966555 /nfs/dbraw/zinc/96/65/55/387966555.db2.gz CGLYHQGHNXCJNB-ZYUZMQFOSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)C(F)(F)F ZINC000424315831 387967511 /nfs/dbraw/zinc/96/75/11/387967511.db2.gz DXLXPKPEFCPKLN-DOLQZWNJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C(F)(F)F ZINC000424315832 387967453 /nfs/dbraw/zinc/96/74/53/387967453.db2.gz DXLXPKPEFCPKLN-UTINFBMNSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C(F)(F)F ZINC000424315833 387967165 /nfs/dbraw/zinc/96/71/65/387967165.db2.gz DXLXPKPEFCPKLN-XFWSIPNHSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)C(F)(F)F ZINC000424315834 387968235 /nfs/dbraw/zinc/96/82/35/387968235.db2.gz DXLXPKPEFCPKLN-ZYUZMQFOSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000424318823 387967438 /nfs/dbraw/zinc/96/74/38/387967438.db2.gz HWDUKQRUQZHOJK-CIUDSAMLSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000424318824 387967425 /nfs/dbraw/zinc/96/74/25/387967425.db2.gz HWDUKQRUQZHOJK-XHNCKOQMSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000424320526 387969956 /nfs/dbraw/zinc/96/99/56/387969956.db2.gz HWDUKQRUQZHOJK-DJLDLDEBSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000424320527 387969214 /nfs/dbraw/zinc/96/92/14/387969214.db2.gz HWDUKQRUQZHOJK-YIZRAAEISA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C(F)(F)F ZINC000424320653 387969910 /nfs/dbraw/zinc/96/99/10/387969910.db2.gz JELMPUCHAWAFGP-DOLQZWNJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(F)(F)F ZINC000424320654 387970237 /nfs/dbraw/zinc/97/02/37/387970237.db2.gz JELMPUCHAWAFGP-UTINFBMNSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(F)(F)F ZINC000424320657 387968859 /nfs/dbraw/zinc/96/88/59/387968859.db2.gz JELMPUCHAWAFGP-XFWSIPNHSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C(F)(F)F ZINC000424320660 387969797 /nfs/dbraw/zinc/96/97/97/387969797.db2.gz JELMPUCHAWAFGP-ZYUZMQFOSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000424323768 387972444 /nfs/dbraw/zinc/97/24/44/387972444.db2.gz MIIMJKQCHVOLDE-CIUDSAMLSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000424323770 387972032 /nfs/dbraw/zinc/97/20/32/387972032.db2.gz MIIMJKQCHVOLDE-XHNCKOQMSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H]1C[C@H](C)CC[C@H]1C)C(F)(F)F ZINC000424323968 387972170 /nfs/dbraw/zinc/97/21/70/387972170.db2.gz MSQVIFKQQVBURU-DOLQZWNJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@H]1C[C@H](C)CC[C@H]1C)C(F)(F)F ZINC000424323972 387971652 /nfs/dbraw/zinc/97/16/52/387971652.db2.gz MSQVIFKQQVBURU-IMSYWVGJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H]1C[C@H](C)CC[C@H]1C)C(F)(F)F ZINC000424323975 387971089 /nfs/dbraw/zinc/97/10/89/387971089.db2.gz MSQVIFKQQVBURU-KYXWUPHJSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H]1C[C@H](C)CC[C@H]1C)C(F)(F)F ZINC000424324294 387971992 /nfs/dbraw/zinc/97/19/92/387971992.db2.gz MSQVIFKQQVBURU-ZYUZMQFOSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000424325230 387972946 /nfs/dbraw/zinc/97/29/46/387972946.db2.gz MIIMJKQCHVOLDE-DJLDLDEBSA-N 1 2 209.255 3.106 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)C(F)(F)F ZINC000424325231 387973912 /nfs/dbraw/zinc/97/39/12/387973912.db2.gz MIIMJKQCHVOLDE-YIZRAAEISA-N 1 2 209.255 3.106 20 0 BGADLO C[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)C(F)(F)F ZINC000424328916 206036942 /nfs/dbraw/zinc/03/69/42/206036942.db2.gz RGQKAZWLVWRSHI-CIUDSAMLSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)C(F)(F)F ZINC000424328917 206037836 /nfs/dbraw/zinc/03/78/36/206037836.db2.gz RGQKAZWLVWRSHI-XHNCKOQMSA-N 1 2 223.282 3.352 20 0 BGADLO CC[C@H]1CCC[C@H]([NH2+][C@@H](C)C(F)(F)F)C1 ZINC000424331604 387977758 /nfs/dbraw/zinc/97/77/58/387977758.db2.gz VMISKVVZISKRDD-GUBZILKMSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]1CCC[C@@H]([NH2+][C@H](C)C(F)(F)F)C1 ZINC000424331605 387977287 /nfs/dbraw/zinc/97/72/87/387977287.db2.gz VMISKVVZISKRDD-KXUCPTDWSA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)C(F)(F)F)C1 ZINC000424331606 387977661 /nfs/dbraw/zinc/97/76/61/387977661.db2.gz VMISKVVZISKRDD-LPEHRKFASA-N 1 2 223.282 3.496 20 0 BGADLO CC[C@H]1CCC[C@H]([NH2+][C@H](C)C(F)(F)F)C1 ZINC000424331607 387977249 /nfs/dbraw/zinc/97/72/49/387977249.db2.gz VMISKVVZISKRDD-UTLUCORTSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)C(F)(F)F ZINC000424331622 387976898 /nfs/dbraw/zinc/97/68/98/387976898.db2.gz VPELQPXMICOWKN-CIUDSAMLSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C(F)(F)F ZINC000424331623 387977517 /nfs/dbraw/zinc/97/75/17/387977517.db2.gz VPELQPXMICOWKN-DJLDLDEBSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C(F)(F)F ZINC000424331624 387977505 /nfs/dbraw/zinc/97/75/05/387977505.db2.gz VPELQPXMICOWKN-XHNCKOQMSA-N 1 2 223.282 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)C(F)(F)F ZINC000424331625 387977263 /nfs/dbraw/zinc/97/72/63/387977263.db2.gz VPELQPXMICOWKN-YIZRAAEISA-N 1 2 223.282 3.352 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000424720478 387258602 /nfs/dbraw/zinc/25/86/02/387258602.db2.gz TZZJEWFFUKMRMJ-GWCFXTLKSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000424720482 387257856 /nfs/dbraw/zinc/25/78/56/387257856.db2.gz TZZJEWFFUKMRMJ-GXFFZTMASA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000424720483 387257658 /nfs/dbraw/zinc/25/76/58/387257658.db2.gz TZZJEWFFUKMRMJ-MFKMUULPSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C)c(C)[nH+]1 ZINC000424720484 200955821 /nfs/dbraw/zinc/95/58/21/200955821.db2.gz TZZJEWFFUKMRMJ-ZWNOBZJWSA-N 1 2 246.354 3.463 20 0 BGADLO Cn1cc([C@@H](Nc2cccc[nH+]2)C(C)(C)C)cn1 ZINC000425234828 192084639 /nfs/dbraw/zinc/08/46/39/192084639.db2.gz HXWVHDVHFMSPLK-CYBMUJFWSA-N 1 2 244.342 3.014 20 0 BGADLO Cn1cc([C@H](Nc2cccc[nH+]2)C(C)(C)C)cn1 ZINC000425234830 192084840 /nfs/dbraw/zinc/08/48/40/192084840.db2.gz HXWVHDVHFMSPLK-ZDUSSCGKSA-N 1 2 244.342 3.014 20 0 BGADLO C[C@@H]1c2ccccc2CCN1c1cccc[nH+]1 ZINC000425236200 192084444 /nfs/dbraw/zinc/08/44/44/192084444.db2.gz PMONDBCYUKUXHP-GFCCVEGCSA-N 1 2 224.307 3.205 20 0 BGADLO C[C@H]1c2ccccc2CCN1c1cccc[nH+]1 ZINC000425236203 192084786 /nfs/dbraw/zinc/08/47/86/192084786.db2.gz PMONDBCYUKUXHP-LBPRGKRZSA-N 1 2 224.307 3.205 20 0 BGADLO C[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)[C@H](C)C1 ZINC000425275376 192087847 /nfs/dbraw/zinc/08/78/47/192087847.db2.gz NSEZGEVMIBTQHW-GHMZBOCLSA-N 1 2 229.327 3.188 20 0 BGADLO Cc1cc(N2CC[C@@H](C)C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000425280262 192088156 /nfs/dbraw/zinc/08/81/56/192088156.db2.gz WUNLUCCQMOINEF-ZYHUDNBSSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2C[C@H]3C[C@H]3C2)c1Cl ZINC000425304226 386529780 /nfs/dbraw/zinc/52/97/80/386529780.db2.gz PUQAYTSGEJSIII-ILWJIGKKSA-N 1 2 222.719 3.254 20 0 BGADLO CC(C)n1cncc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000425321661 386559886 /nfs/dbraw/zinc/55/98/86/386559886.db2.gz FPJIGURJHYAOOW-GFCCVEGCSA-N 1 2 247.342 3.250 20 0 BGADLO CC(C)n1cncc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000425321661 386559883 /nfs/dbraw/zinc/55/98/83/386559883.db2.gz FPJIGURJHYAOOW-GFCCVEGCSA-N 1 2 247.342 3.250 20 0 BGADLO CC(C)n1cncc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000425321663 386557808 /nfs/dbraw/zinc/55/78/08/386557808.db2.gz FPJIGURJHYAOOW-LBPRGKRZSA-N 1 2 247.342 3.250 20 0 BGADLO CC(C)n1cncc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000425321663 386557802 /nfs/dbraw/zinc/55/78/02/386557802.db2.gz FPJIGURJHYAOOW-LBPRGKRZSA-N 1 2 247.342 3.250 20 0 BGADLO Cc1cc(F)c(C[N@H+]2CC[C@@](C)(F)C2)c(F)c1 ZINC000425331325 386664654 /nfs/dbraw/zinc/66/46/54/386664654.db2.gz CMSHGYDCXXVTKX-CYBMUJFWSA-N 1 2 243.272 3.207 20 0 BGADLO Cc1cc(F)c(C[N@@H+]2CC[C@@](C)(F)C2)c(F)c1 ZINC000425331325 386664648 /nfs/dbraw/zinc/66/46/48/386664648.db2.gz CMSHGYDCXXVTKX-CYBMUJFWSA-N 1 2 243.272 3.207 20 0 BGADLO Cc1cc(F)c(C[N@H+]2CC[C@](C)(F)C2)c(F)c1 ZINC000425331327 386665316 /nfs/dbraw/zinc/66/53/16/386665316.db2.gz CMSHGYDCXXVTKX-ZDUSSCGKSA-N 1 2 243.272 3.207 20 0 BGADLO Cc1cc(F)c(C[N@@H+]2CC[C@](C)(F)C2)c(F)c1 ZINC000425331327 386665312 /nfs/dbraw/zinc/66/53/12/386665312.db2.gz CMSHGYDCXXVTKX-ZDUSSCGKSA-N 1 2 243.272 3.207 20 0 BGADLO CC(C)n1c[nH+]cc1CN(C)c1ccccc1 ZINC000425332067 386845686 /nfs/dbraw/zinc/84/56/86/386845686.db2.gz ZUEZZZVTCMCDHT-UHFFFAOYSA-N 1 2 229.327 3.100 20 0 BGADLO CCN(Cc1c[nH+]cn1C(C)C)c1ccccc1 ZINC000425340791 386842956 /nfs/dbraw/zinc/84/29/56/386842956.db2.gz FJPAPVQQHSCOIZ-UHFFFAOYSA-N 1 2 243.354 3.491 20 0 BGADLO CS[C@H]1CC[C@@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000425341047 386843364 /nfs/dbraw/zinc/84/33/64/386843364.db2.gz FNFYAMVYZJJLTM-KBPBESRZSA-N 1 2 248.395 3.266 20 0 BGADLO CS[C@H]1CC[C@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000425341052 386841743 /nfs/dbraw/zinc/84/17/43/386841743.db2.gz FNFYAMVYZJJLTM-KGLIPLIRSA-N 1 2 248.395 3.266 20 0 BGADLO CS[C@@H]1CC[C@@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000425341055 386842095 /nfs/dbraw/zinc/84/20/95/386842095.db2.gz FNFYAMVYZJJLTM-UONOGXRCSA-N 1 2 248.395 3.266 20 0 BGADLO CS[C@@H]1CC[C@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000425341058 386841604 /nfs/dbraw/zinc/84/16/04/386841604.db2.gz FNFYAMVYZJJLTM-ZIAGYGMSSA-N 1 2 248.395 3.266 20 0 BGADLO Cc1cc(F)c(C[N@H+]2CCC[C@H]2CF)c(F)c1 ZINC000425341267 386842651 /nfs/dbraw/zinc/84/26/51/386842651.db2.gz CSMXMCDYYWWORJ-JTQLQIEISA-N 1 2 243.272 3.207 20 0 BGADLO Cc1cc(F)c(C[N@@H+]2CCC[C@H]2CF)c(F)c1 ZINC000425341267 386842648 /nfs/dbraw/zinc/84/26/48/386842648.db2.gz CSMXMCDYYWWORJ-JTQLQIEISA-N 1 2 243.272 3.207 20 0 BGADLO Cc1cc(F)c(C[N@H+]2CCC[C@@H]2CF)c(F)c1 ZINC000425341269 386842574 /nfs/dbraw/zinc/84/25/74/386842574.db2.gz CSMXMCDYYWWORJ-SNVBAGLBSA-N 1 2 243.272 3.207 20 0 BGADLO Cc1cc(F)c(C[N@@H+]2CCC[C@@H]2CF)c(F)c1 ZINC000425341269 386842569 /nfs/dbraw/zinc/84/25/69/386842569.db2.gz CSMXMCDYYWWORJ-SNVBAGLBSA-N 1 2 243.272 3.207 20 0 BGADLO Cc1cccc(N(C)Cc2c[nH+]cn2C(C)C)c1 ZINC000425343073 386854350 /nfs/dbraw/zinc/85/43/50/386854350.db2.gz IBONSRGFDWLTTK-UHFFFAOYSA-N 1 2 243.354 3.409 20 0 BGADLO FC(F)CC1C[NH+](Cc2ccc(Cl)o2)C1 ZINC000425347672 386861874 /nfs/dbraw/zinc/86/18/74/386861874.db2.gz AZVPQKMRBWEABY-UHFFFAOYSA-N 1 2 235.661 3.020 20 0 BGADLO Fc1cccc(F)c1C[NH+]1CC(CC(F)F)C1 ZINC000425348154 386863129 /nfs/dbraw/zinc/86/31/29/386863129.db2.gz BRBVPSOOOHJBKA-UHFFFAOYSA-N 1 2 247.235 3.052 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ncc(Cl)s2)[C@H](C)C1 ZINC000425355908 386917811 /nfs/dbraw/zinc/91/78/11/386917811.db2.gz MSDRHGIJTWXOQJ-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ncc(Cl)s2)[C@H](C)C1 ZINC000425355908 386917807 /nfs/dbraw/zinc/91/78/07/386917807.db2.gz MSDRHGIJTWXOQJ-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO Fc1ccc(C[NH+]2CC(CC(F)F)C2)cc1F ZINC000425358699 386914891 /nfs/dbraw/zinc/91/48/91/386914891.db2.gz RCPXMPYOKVBBTF-UHFFFAOYSA-N 1 2 247.235 3.052 20 0 BGADLO Fc1ccc(F)c(C[NH+]2CC(CC(F)F)C2)c1 ZINC000425363139 386971212 /nfs/dbraw/zinc/97/12/12/386971212.db2.gz AYMORTSUSPTFLS-UHFFFAOYSA-N 1 2 247.235 3.052 20 0 BGADLO CC(C)n1c[nH+]cc1CN1CCc2ccccc21 ZINC000425363711 386972734 /nfs/dbraw/zinc/97/27/34/386972734.db2.gz XSARZWASRIUECW-UHFFFAOYSA-N 1 2 241.338 3.027 20 0 BGADLO Fc1cc(F)cc(C[NH+]2CC(CC(F)F)C2)c1 ZINC000425363893 386972614 /nfs/dbraw/zinc/97/26/14/386972614.db2.gz DGSQZKACWOWSRE-UHFFFAOYSA-N 1 2 247.235 3.052 20 0 BGADLO CS[C@H]1CC[C@H]1Nc1ccc(C)[nH+]c1C ZINC000425364822 387022241 /nfs/dbraw/zinc/02/22/41/387022241.db2.gz XTJDPYYMAFPVKI-NEPJUHHUSA-N 1 2 222.357 3.004 20 0 BGADLO CS[C@@H]1CC[C@@H]1Nc1ccc(C)[nH+]c1C ZINC000425364823 387021888 /nfs/dbraw/zinc/02/18/88/387021888.db2.gz XTJDPYYMAFPVKI-NWDGAFQWSA-N 1 2 222.357 3.004 20 0 BGADLO CS[C@H]1CC[C@@H]1Nc1ccc(C)[nH+]c1C ZINC000425364824 387023243 /nfs/dbraw/zinc/02/32/43/387023243.db2.gz XTJDPYYMAFPVKI-RYUDHWBXSA-N 1 2 222.357 3.004 20 0 BGADLO CS[C@@H]1CC[C@H]1Nc1ccc(C)[nH+]c1C ZINC000425364825 387023049 /nfs/dbraw/zinc/02/30/49/387023049.db2.gz XTJDPYYMAFPVKI-VXGBXAGGSA-N 1 2 222.357 3.004 20 0 BGADLO CSc1ccc(N[C@@H]2CC[C@H]2SC)[nH+]c1 ZINC000425364852 387022377 /nfs/dbraw/zinc/02/23/77/387022377.db2.gz XVDOKUQBIVLOGY-NXEZZACHSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc(N[C@H]2CC[C@@H]2SC)[nH+]c1 ZINC000425364853 387023129 /nfs/dbraw/zinc/02/31/29/387023129.db2.gz XVDOKUQBIVLOGY-UWVGGRQHSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc(N[C@H]2CC[C@H]2SC)[nH+]c1 ZINC000425364854 387022976 /nfs/dbraw/zinc/02/29/76/387022976.db2.gz XVDOKUQBIVLOGY-VHSXEESVSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc(N[C@@H]2CC[C@@H]2SC)[nH+]c1 ZINC000425364855 387021790 /nfs/dbraw/zinc/02/17/90/387021790.db2.gz XVDOKUQBIVLOGY-ZJUUUORDSA-N 1 2 240.397 3.109 20 0 BGADLO CCC(CC)Nc1ccc(N2CCCC2)c[nH+]1 ZINC000425375186 387016608 /nfs/dbraw/zinc/01/66/08/387016608.db2.gz YVGJTDYWOTYBFW-UHFFFAOYSA-N 1 2 233.359 3.282 20 0 BGADLO CC[C@H](C)CCC(=O)Nc1c(C)cc[nH+]c1C ZINC000425578308 386658665 /nfs/dbraw/zinc/65/86/65/386658665.db2.gz BKQRGUPIDZJNNK-JTQLQIEISA-N 1 2 234.343 3.463 20 0 BGADLO CC[C@@H](C)CCC(=O)Nc1c(C)cc[nH+]c1C ZINC000425578311 386658012 /nfs/dbraw/zinc/65/80/12/386658012.db2.gz BKQRGUPIDZJNNK-SNVBAGLBSA-N 1 2 234.343 3.463 20 0 BGADLO CCCC[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425578364 386658029 /nfs/dbraw/zinc/65/80/29/386658029.db2.gz BOOOYFDWSASOHB-LLVKDONJSA-N 1 2 234.343 3.463 20 0 BGADLO CCCC[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425578367 386656924 /nfs/dbraw/zinc/65/69/24/386656924.db2.gz BOOOYFDWSASOHB-NSHDSACASA-N 1 2 234.343 3.463 20 0 BGADLO CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425579567 386657423 /nfs/dbraw/zinc/65/74/23/386657423.db2.gz CZWOFYICVJGMJN-GXSJLCMTSA-N 1 2 234.343 3.319 20 0 BGADLO CC[C@@H](C)[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425579569 386656552 /nfs/dbraw/zinc/65/65/52/386656552.db2.gz CZWOFYICVJGMJN-KOLCDFICSA-N 1 2 234.343 3.319 20 0 BGADLO CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425579571 386657225 /nfs/dbraw/zinc/65/72/25/386657225.db2.gz CZWOFYICVJGMJN-MWLCHTKSSA-N 1 2 234.343 3.319 20 0 BGADLO CC[C@H](C)[C@H](C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425579573 386656870 /nfs/dbraw/zinc/65/68/70/386656870.db2.gz CZWOFYICVJGMJN-ONGXEEELSA-N 1 2 234.343 3.319 20 0 BGADLO CCC(CC)CC(=O)Nc1c(C)cc[nH+]c1C ZINC000425585041 386657937 /nfs/dbraw/zinc/65/79/37/386657937.db2.gz HCXVAQMOIVQLTQ-UHFFFAOYSA-N 1 2 234.343 3.463 20 0 BGADLO CCC(CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000425585042 386657927 /nfs/dbraw/zinc/65/79/27/386657927.db2.gz HEIJLQUPQMCDOU-UHFFFAOYSA-N 1 2 220.316 3.073 20 0 BGADLO CCC(C)(C)CC(=O)Nc1c(C)cc[nH+]c1C ZINC000425587338 386658360 /nfs/dbraw/zinc/65/83/60/386658360.db2.gz NBIDLVDKMCHILS-UHFFFAOYSA-N 1 2 234.343 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H](C)C(C)C ZINC000425587359 386657746 /nfs/dbraw/zinc/65/77/46/386657746.db2.gz NJIYWQHXZXWISU-LLVKDONJSA-N 1 2 234.343 3.319 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H](C)C(C)C ZINC000425587360 386657131 /nfs/dbraw/zinc/65/71/31/386657131.db2.gz NJIYWQHXZXWISU-NSHDSACASA-N 1 2 234.343 3.319 20 0 BGADLO CCC[C@H](C)CC(=O)Nc1c(C)cc[nH+]c1C ZINC000425587392 386656607 /nfs/dbraw/zinc/65/66/07/386656607.db2.gz NXZFROAZVYPTKF-JTQLQIEISA-N 1 2 234.343 3.463 20 0 BGADLO CCC[C@@H](C)CC(=O)Nc1c(C)cc[nH+]c1C ZINC000425587393 386657511 /nfs/dbraw/zinc/65/75/11/386657511.db2.gz NXZFROAZVYPTKF-SNVBAGLBSA-N 1 2 234.343 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C1C(C)(C)C1(C)C ZINC000425589537 386660082 /nfs/dbraw/zinc/66/00/82/386660082.db2.gz TTYJPUYZXVRARE-UHFFFAOYSA-N 1 2 246.354 3.319 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)CCC(C)(C)C ZINC000425590200 488012809 /nfs/dbraw/zinc/01/28/09/488012809.db2.gz WGIUUMDEUWVARH-UHFFFAOYSA-N 1 2 234.343 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)CCC1CCC1 ZINC000425591466 386680601 /nfs/dbraw/zinc/68/06/01/386680601.db2.gz ZOMZNOCBZQCHTB-UHFFFAOYSA-N 1 2 232.327 3.217 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000425594876 192018579 /nfs/dbraw/zinc/01/85/79/192018579.db2.gz HJAMMNROJKEFCW-AGIUHOORSA-N 1 2 244.338 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000425595188 192018676 /nfs/dbraw/zinc/01/86/76/192018676.db2.gz HJAMMNROJKEFCW-RWMBFGLXSA-N 1 2 244.338 3.073 20 0 BGADLO CC[C@@H](C)CC(=O)Nc1c(C)cc[nH+]c1C ZINC000425595554 387524604 /nfs/dbraw/zinc/52/46/04/387524604.db2.gz ILLXHBFAEUCIKF-SECBINFHSA-N 1 2 220.316 3.073 20 0 BGADLO CC[C@H](C)CC(=O)Nc1c(C)cc[nH+]c1C ZINC000425595555 387525077 /nfs/dbraw/zinc/52/50/77/387525077.db2.gz ILLXHBFAEUCIKF-VIFPVBQESA-N 1 2 220.316 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)CC(C)C ZINC000425595574 229139358 /nfs/dbraw/zinc/13/93/58/229139358.db2.gz IMIWQMMLHQWFFZ-LLVKDONJSA-N 1 2 234.343 3.319 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)CC(C)C ZINC000425595576 229139274 /nfs/dbraw/zinc/13/92/74/229139274.db2.gz IMIWQMMLHQWFFZ-NSHDSACASA-N 1 2 234.343 3.319 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)CC(C)(C)C1CC1 ZINC000425595656 534386176 /nfs/dbraw/zinc/38/61/76/534386176.db2.gz IQYMNPZZRFQENB-UHFFFAOYSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000425596455 387525988 /nfs/dbraw/zinc/52/59/88/387525988.db2.gz NPJUMMWSXDKDRU-JHJVBQTASA-N 1 2 244.338 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000425596457 192025104 /nfs/dbraw/zinc/02/51/04/192025104.db2.gz NPJUMMWSXDKDRU-XQQFMLRXSA-N 1 2 244.338 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)CCCC(C)C ZINC000425596734 387524585 /nfs/dbraw/zinc/52/45/85/387524585.db2.gz OURJVLYRWOJRHW-UHFFFAOYSA-N 1 2 234.343 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000425598316 387525255 /nfs/dbraw/zinc/52/52/55/387525255.db2.gz WCPJDCPKJZDTAD-CHWSQXEVSA-N 1 2 246.354 3.319 20 0 BGADLO CCC[C@@H]1C[C@H]1C(=O)Nc1c(C)cc[nH+]c1C ZINC000425598717 387526003 /nfs/dbraw/zinc/52/60/03/387526003.db2.gz XKXYCBOBJROCAW-VXGBXAGGSA-N 1 2 232.327 3.073 20 0 BGADLO COCC(C)(C)C[N@@H+](C)c1cc(C)cc(C)c1 ZINC000426351222 387558960 /nfs/dbraw/zinc/55/89/60/387558960.db2.gz HUNGEQJJFDLQKL-UHFFFAOYSA-N 1 2 235.371 3.412 20 0 BGADLO COCC(C)(C)C[N@H+](C)c1cc(C)cc(C)c1 ZINC000426351222 387558958 /nfs/dbraw/zinc/55/89/58/387558958.db2.gz HUNGEQJJFDLQKL-UHFFFAOYSA-N 1 2 235.371 3.412 20 0 BGADLO Cc1cc(N[C@@H]2CCCC2(C)C)nc(C2CC2)[nH+]1 ZINC000426358376 387558562 /nfs/dbraw/zinc/55/85/62/387558562.db2.gz GQEMNJZMWAGUSE-GFCCVEGCSA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N[C@H]2CCCC2(C)C)nc(C2CC2)[nH+]1 ZINC000426358377 387557778 /nfs/dbraw/zinc/55/77/78/387557778.db2.gz GQEMNJZMWAGUSE-LBPRGKRZSA-N 1 2 245.370 3.075 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCCC2(C)C)cc[nH+]1 ZINC000426366641 191022986 /nfs/dbraw/zinc/02/29/86/191022986.db2.gz RTHDSSPSTMGCHZ-LLVKDONJSA-N 1 2 233.359 3.013 20 0 BGADLO CC(C)c1nc(N[C@H]2CCCC2(C)C)cc[nH+]1 ZINC000426366642 191023248 /nfs/dbraw/zinc/02/32/48/191023248.db2.gz RTHDSSPSTMGCHZ-NSHDSACASA-N 1 2 233.359 3.013 20 0 BGADLO COCC(C)(C)C[NH2+]c1ccc(C)cc1OC ZINC000426403964 387565544 /nfs/dbraw/zinc/56/55/44/387565544.db2.gz YOHKELCFAZRKJS-UHFFFAOYSA-N 1 2 237.343 3.088 20 0 BGADLO CCCc1csc(C[N@@H+](C)Cc2ccc[nH]2)n1 ZINC000426413782 387567683 /nfs/dbraw/zinc/56/76/83/387567683.db2.gz UMDLYFOGBXHACK-UHFFFAOYSA-N 1 2 249.383 3.056 20 0 BGADLO CCCc1csc(C[N@H+](C)Cc2ccc[nH]2)n1 ZINC000426413782 387567679 /nfs/dbraw/zinc/56/76/79/387567679.db2.gz UMDLYFOGBXHACK-UHFFFAOYSA-N 1 2 249.383 3.056 20 0 BGADLO CCCc1csc(C[N@H+]2CC[C@@](C)(F)C2)n1 ZINC000426418854 206046512 /nfs/dbraw/zinc/04/65/12/206046512.db2.gz IGWCYQHOOVPFBX-GFCCVEGCSA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1csc(C[N@@H+]2CC[C@@](C)(F)C2)n1 ZINC000426418854 206046510 /nfs/dbraw/zinc/04/65/10/206046510.db2.gz IGWCYQHOOVPFBX-GFCCVEGCSA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1csc(C[N@H+]2CC[C@](C)(F)C2)n1 ZINC000426418855 206047599 /nfs/dbraw/zinc/04/75/99/206047599.db2.gz IGWCYQHOOVPFBX-LBPRGKRZSA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1csc(C[N@@H+]2CC[C@](C)(F)C2)n1 ZINC000426418855 206047596 /nfs/dbraw/zinc/04/75/96/206047596.db2.gz IGWCYQHOOVPFBX-LBPRGKRZSA-N 1 2 242.363 3.030 20 0 BGADLO C[C@H]1C[C@H](C)CN(c2[nH+]c3ccccc3n2C)C1 ZINC000427513756 191079913 /nfs/dbraw/zinc/07/99/13/191079913.db2.gz KAYNICNAKWQMNN-RYUDHWBXSA-N 1 2 243.354 3.056 20 0 BGADLO C[C@@H]1C[C@H](C)CN(c2[nH+]c3ccccc3n2C)C1 ZINC000427513757 191079176 /nfs/dbraw/zinc/07/91/76/191079176.db2.gz KAYNICNAKWQMNN-TXEJJXNPSA-N 1 2 243.354 3.056 20 0 BGADLO C[C@@H]1C[C@@H](C)CN(c2[nH+]c3ccccc3n2C)C1 ZINC000427513758 191078801 /nfs/dbraw/zinc/07/88/01/191078801.db2.gz KAYNICNAKWQMNN-VXGBXAGGSA-N 1 2 243.354 3.056 20 0 BGADLO Cc1[nH]c2ccc(NC(=O)CC3(C)CC3)cc2[nH+]1 ZINC000428091359 386190468 /nfs/dbraw/zinc/19/04/68/386190468.db2.gz ZFVJSLUXHKAEAZ-UHFFFAOYSA-N 1 2 243.310 3.000 20 0 BGADLO CC(C)CC[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000428114156 323182406 /nfs/dbraw/zinc/18/24/06/323182406.db2.gz HLTNGQBRYDVQGD-GFCCVEGCSA-N 1 2 243.354 3.288 20 0 BGADLO CC(C)CC[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000428114157 323182383 /nfs/dbraw/zinc/18/23/83/323182383.db2.gz HLTNGQBRYDVQGD-LBPRGKRZSA-N 1 2 243.354 3.288 20 0 BGADLO Fc1ccccc1NCCCNc1cccc[nH+]1 ZINC000428187847 201001831 /nfs/dbraw/zinc/00/18/31/201001831.db2.gz UVFFLHXRKSDSGZ-UHFFFAOYSA-N 1 2 245.301 3.135 20 0 BGADLO CCc1nc(C)c(C[N@@H+](C)Cc2ccoc2C)o1 ZINC000428440368 191072859 /nfs/dbraw/zinc/07/28/59/191072859.db2.gz DRJUIVHGTJHMDN-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1nc(C)c(C[N@H+](C)Cc2ccoc2C)o1 ZINC000428440368 191072857 /nfs/dbraw/zinc/07/28/57/191072857.db2.gz DRJUIVHGTJHMDN-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCCc1nc(C)c(C[N@@H+](C)Cc2ccoc2)o1 ZINC000428452245 191075470 /nfs/dbraw/zinc/07/54/70/191075470.db2.gz AHOXQWPXZIDGTP-UHFFFAOYSA-N 1 2 248.326 3.161 20 0 BGADLO CCCc1nc(C)c(C[N@H+](C)Cc2ccoc2)o1 ZINC000428452245 191075468 /nfs/dbraw/zinc/07/54/68/191075468.db2.gz AHOXQWPXZIDGTP-UHFFFAOYSA-N 1 2 248.326 3.161 20 0 BGADLO Cc1nc(C(C)C)oc1C[N@@H+](C)Cc1ccoc1 ZINC000428454032 201020184 /nfs/dbraw/zinc/02/01/84/201020184.db2.gz HFTCKWRRXMTSFS-UHFFFAOYSA-N 1 2 248.326 3.331 20 0 BGADLO Cc1nc(C(C)C)oc1C[N@H+](C)Cc1ccoc1 ZINC000428454032 201020183 /nfs/dbraw/zinc/02/01/83/201020183.db2.gz HFTCKWRRXMTSFS-UHFFFAOYSA-N 1 2 248.326 3.331 20 0 BGADLO CCCc1nc(C)c(C[N@@H+](C)Cc2ccco2)o1 ZINC000428488620 201025366 /nfs/dbraw/zinc/02/53/66/201025366.db2.gz UEXHSYAWMAPEOW-UHFFFAOYSA-N 1 2 248.326 3.161 20 0 BGADLO CCCc1nc(C)c(C[N@H+](C)Cc2ccco2)o1 ZINC000428488620 201025365 /nfs/dbraw/zinc/02/53/65/201025365.db2.gz UEXHSYAWMAPEOW-UHFFFAOYSA-N 1 2 248.326 3.161 20 0 BGADLO CCc1nc(C)c(C[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000428488950 201023736 /nfs/dbraw/zinc/02/37/36/201023736.db2.gz UGZSJMJTBJYWDU-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1nc(C)c(C[N@H+](C)Cc2ccc(C)o2)o1 ZINC000428488950 201023734 /nfs/dbraw/zinc/02/37/34/201023734.db2.gz UGZSJMJTBJYWDU-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO Cc1nc(C(C)C)oc1C[N@@H+](C)Cc1ccco1 ZINC000428489433 201024838 /nfs/dbraw/zinc/02/48/38/201024838.db2.gz VTCDSEHXRWMVKO-UHFFFAOYSA-N 1 2 248.326 3.331 20 0 BGADLO Cc1nc(C(C)C)oc1C[N@H+](C)Cc1ccco1 ZINC000428489433 201024836 /nfs/dbraw/zinc/02/48/36/201024836.db2.gz VTCDSEHXRWMVKO-UHFFFAOYSA-N 1 2 248.326 3.331 20 0 BGADLO Cc1ccc(C)c(CN(C)c2cc[nH+]c(C)n2)c1 ZINC000428660441 201033335 /nfs/dbraw/zinc/03/33/35/201033335.db2.gz MTTIFDDYOBPBJJ-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO Cc1ccc(C)c(CN(C)c2cc(C)[nH+]cn2)c1 ZINC000428662414 201032986 /nfs/dbraw/zinc/03/29/86/201032986.db2.gz DMAWREJTKHSERT-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO Cc1cc(N(C)[C@H]2CC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000428665122 201033016 /nfs/dbraw/zinc/03/30/16/201033016.db2.gz DLYVKVVNZZJNMK-GWCFXTLKSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N(C)[C@@H]2CC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000428665123 201032230 /nfs/dbraw/zinc/03/22/30/201032230.db2.gz DLYVKVVNZZJNMK-GXFFZTMASA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N(C)[C@H]2CC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000428665124 201033325 /nfs/dbraw/zinc/03/33/25/201033325.db2.gz DLYVKVVNZZJNMK-MFKMUULPSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N(C)[C@@H]2CC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000428665125 201032250 /nfs/dbraw/zinc/03/22/50/201032250.db2.gz DLYVKVVNZZJNMK-ZWNOBZJWSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@@H]2CC23CCCC3)[nH+]1 ZINC000428681111 201035834 /nfs/dbraw/zinc/03/58/34/201035834.db2.gz OPEJEELLYSWUNW-LLVKDONJSA-N 1 2 242.326 3.011 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@H]2CC23CCCC3)[nH+]1 ZINC000428681113 384553995 /nfs/dbraw/zinc/55/39/95/384553995.db2.gz OPEJEELLYSWUNW-NSHDSACASA-N 1 2 242.326 3.011 20 0 BGADLO CC(C)c1nc(N(C)[C@H]2CC[C@@H](C)C2)cc[nH+]1 ZINC000428685746 201036468 /nfs/dbraw/zinc/03/64/68/201036468.db2.gz YLTOXBGSEIXSMN-NEPJUHHUSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N(C)[C@@H]2CC[C@H](C)C2)cc[nH+]1 ZINC000428685747 201036932 /nfs/dbraw/zinc/03/69/32/201036932.db2.gz YLTOXBGSEIXSMN-NWDGAFQWSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N(C)[C@H]2CC[C@H](C)C2)cc[nH+]1 ZINC000428685749 201035824 /nfs/dbraw/zinc/03/58/24/201035824.db2.gz YLTOXBGSEIXSMN-RYUDHWBXSA-N 1 2 233.359 3.225 20 0 BGADLO CC(C)c1nc(N(C)[C@@H]2CC[C@@H](C)C2)cc[nH+]1 ZINC000428685751 201037079 /nfs/dbraw/zinc/03/70/79/201037079.db2.gz YLTOXBGSEIXSMN-VXGBXAGGSA-N 1 2 233.359 3.225 20 0 BGADLO Clc1ccc(C2([NH2+]Cc3cocn3)CC2)cc1 ZINC000428861849 201045536 /nfs/dbraw/zinc/04/55/36/201045536.db2.gz LKEHQAIKJTYCGD-UHFFFAOYSA-N 1 2 248.713 3.107 20 0 BGADLO CC(C)c1cccc(C[NH2+]Cc2cocn2)c1 ZINC000428876670 201047862 /nfs/dbraw/zinc/04/78/62/201047862.db2.gz NWBOTCHWOSRBIF-UHFFFAOYSA-N 1 2 230.311 3.088 20 0 BGADLO CC(C)CCC[N@@H+](CC(F)F)C1CC1 ZINC000429046207 201063175 /nfs/dbraw/zinc/06/31/75/201063175.db2.gz IAVUPGNEVMZMGS-UHFFFAOYSA-N 1 2 205.292 3.152 20 0 BGADLO CC(C)CCC[N@H+](CC(F)F)C1CC1 ZINC000429046207 201063172 /nfs/dbraw/zinc/06/31/72/201063172.db2.gz IAVUPGNEVMZMGS-UHFFFAOYSA-N 1 2 205.292 3.152 20 0 BGADLO CC(C)c1nc(C[NH+](C2CCC2)C2CCC2)no1 ZINC000429122626 201071268 /nfs/dbraw/zinc/07/12/68/201071268.db2.gz QHODNQDECJXXEV-UHFFFAOYSA-N 1 2 249.358 3.100 20 0 BGADLO CC[C@@H]1CC[N@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000429276573 201088428 /nfs/dbraw/zinc/08/84/28/201088428.db2.gz DXLXZJDOKNLRKX-LLVKDONJSA-N 1 2 244.260 3.085 20 0 BGADLO CC[C@@H]1CC[N@@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000429276573 201088424 /nfs/dbraw/zinc/08/84/24/201088424.db2.gz DXLXZJDOKNLRKX-LLVKDONJSA-N 1 2 244.260 3.085 20 0 BGADLO CC[C@H]1CC[N@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000429276574 201087934 /nfs/dbraw/zinc/08/79/34/201087934.db2.gz DXLXZJDOKNLRKX-NSHDSACASA-N 1 2 244.260 3.085 20 0 BGADLO CC[C@H]1CC[N@@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000429276574 201087931 /nfs/dbraw/zinc/08/79/31/201087931.db2.gz DXLXZJDOKNLRKX-NSHDSACASA-N 1 2 244.260 3.085 20 0 BGADLO CC[C@@H]1CC[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000429282047 192027107 /nfs/dbraw/zinc/02/71/07/192027107.db2.gz ZEDHCSQPCNPBDR-LLVKDONJSA-N 1 2 238.400 3.425 20 0 BGADLO CC[C@@H]1CC[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000429282047 192027105 /nfs/dbraw/zinc/02/71/05/192027105.db2.gz ZEDHCSQPCNPBDR-LLVKDONJSA-N 1 2 238.400 3.425 20 0 BGADLO CC[C@H]1CC[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000429282048 387934811 /nfs/dbraw/zinc/93/48/11/387934811.db2.gz ZEDHCSQPCNPBDR-NSHDSACASA-N 1 2 238.400 3.425 20 0 BGADLO CC[C@H]1CC[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000429282048 387934806 /nfs/dbraw/zinc/93/48/06/387934806.db2.gz ZEDHCSQPCNPBDR-NSHDSACASA-N 1 2 238.400 3.425 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2cc(C)ccc2C)o1 ZINC000429295981 201094457 /nfs/dbraw/zinc/09/44/57/201094457.db2.gz VYWPZURQQGJDKK-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2cc(C)ccc2C)o1 ZINC000429295981 201094454 /nfs/dbraw/zinc/09/44/54/201094454.db2.gz VYWPZURQQGJDKK-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO CC[C@@H]1CC[N@H+]1Cc1csc(C(C)C)n1 ZINC000429315522 201097774 /nfs/dbraw/zinc/09/77/74/201097774.db2.gz ZUXLOHGWKIQTEQ-LLVKDONJSA-N 1 2 224.373 3.251 20 0 BGADLO CC[C@@H]1CC[N@@H+]1Cc1csc(C(C)C)n1 ZINC000429315522 201097771 /nfs/dbraw/zinc/09/77/71/201097771.db2.gz ZUXLOHGWKIQTEQ-LLVKDONJSA-N 1 2 224.373 3.251 20 0 BGADLO CC[C@H]1CC[N@H+]1Cc1csc(C(C)C)n1 ZINC000429315525 201097760 /nfs/dbraw/zinc/09/77/60/201097760.db2.gz ZUXLOHGWKIQTEQ-NSHDSACASA-N 1 2 224.373 3.251 20 0 BGADLO CC[C@H]1CC[N@@H+]1Cc1csc(C(C)C)n1 ZINC000429315525 201097757 /nfs/dbraw/zinc/09/77/57/201097757.db2.gz ZUXLOHGWKIQTEQ-NSHDSACASA-N 1 2 224.373 3.251 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2occc2C)o1 ZINC000429368074 201104396 /nfs/dbraw/zinc/10/43/96/201104396.db2.gz VQQKMSRRAWDLSQ-LLVKDONJSA-N 1 2 234.299 3.077 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2occc2C)o1 ZINC000429368074 201104394 /nfs/dbraw/zinc/10/43/94/201104394.db2.gz VQQKMSRRAWDLSQ-LLVKDONJSA-N 1 2 234.299 3.077 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2occc2C)o1 ZINC000429368076 201103578 /nfs/dbraw/zinc/10/35/78/201103578.db2.gz VQQKMSRRAWDLSQ-NSHDSACASA-N 1 2 234.299 3.077 20 0 BGADLO Cc1cnc([C@H](C)[N@H+](C)Cc2occc2C)o1 ZINC000429368076 201103574 /nfs/dbraw/zinc/10/35/74/201103574.db2.gz VQQKMSRRAWDLSQ-NSHDSACASA-N 1 2 234.299 3.077 20 0 BGADLO CCc1nc(C)c(C[N@@H+](C)Cc2occc2C)o1 ZINC000429411470 201107451 /nfs/dbraw/zinc/10/74/51/201107451.db2.gz XFVKUFGXJWGPOV-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1nc(C)c(C[N@H+](C)Cc2occc2C)o1 ZINC000429411470 201107447 /nfs/dbraw/zinc/10/74/47/201107447.db2.gz XFVKUFGXJWGPOV-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO COC1(C[C@@H](C)Nc2ccc(C)[nH+]c2C)CCC1 ZINC000429419065 201105937 /nfs/dbraw/zinc/10/59/37/201105937.db2.gz PSMRYNPWXDQZGC-GFCCVEGCSA-N 1 2 248.370 3.458 20 0 BGADLO COC1(C[C@H](C)Nc2ccc(C)[nH+]c2C)CCC1 ZINC000429419066 201106417 /nfs/dbraw/zinc/10/64/17/201106417.db2.gz PSMRYNPWXDQZGC-LBPRGKRZSA-N 1 2 248.370 3.458 20 0 BGADLO CC1=C[C@@H](C)C[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000430265459 387602423 /nfs/dbraw/zinc/60/24/23/387602423.db2.gz FFZLNLVCTVQJMD-MRVPVSSYSA-N 1 2 242.775 3.195 20 0 BGADLO CC1=C[C@@H](C)C[N@H+](Cc2ncc(Cl)s2)C1 ZINC000430265459 387602420 /nfs/dbraw/zinc/60/24/20/387602420.db2.gz FFZLNLVCTVQJMD-MRVPVSSYSA-N 1 2 242.775 3.195 20 0 BGADLO CC1=C[C@H](C)C[N@@H+](Cc2ncc(Cl)s2)C1 ZINC000430265463 387603622 /nfs/dbraw/zinc/60/36/22/387603622.db2.gz FFZLNLVCTVQJMD-QMMMGPOBSA-N 1 2 242.775 3.195 20 0 BGADLO CC1=C[C@H](C)C[N@H+](Cc2ncc(Cl)s2)C1 ZINC000430265463 387603617 /nfs/dbraw/zinc/60/36/17/387603617.db2.gz FFZLNLVCTVQJMD-QMMMGPOBSA-N 1 2 242.775 3.195 20 0 BGADLO CC(C)c1cc(N2CC(C)C2)nc(C(C)C)[nH+]1 ZINC000430516406 387620805 /nfs/dbraw/zinc/62/08/05/387620805.db2.gz WUGSPSQIOUCFQL-UHFFFAOYSA-N 1 2 233.359 3.180 20 0 BGADLO Cc1ccc(C)c2[nH+]c(-c3ccncc3)[nH]c21 ZINC000430935213 192898255 /nfs/dbraw/zinc/89/82/55/192898255.db2.gz SBUPGRTVQANEFX-UHFFFAOYSA-N 1 2 223.279 3.242 20 0 BGADLO Cn1c2cc(F)ccc2[nH+]c1N1CCCCCC1 ZINC000431014968 387670183 /nfs/dbraw/zinc/67/01/83/387670183.db2.gz QOONBGQBIVLWEF-UHFFFAOYSA-N 1 2 247.317 3.093 20 0 BGADLO CCC[C@H](C)N(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431033223 387672264 /nfs/dbraw/zinc/67/22/64/387672264.db2.gz OBVDNJLANYBEGZ-JTQLQIEISA-N 1 2 249.333 3.337 20 0 BGADLO CCC[C@@H](C)N(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431033224 387673784 /nfs/dbraw/zinc/67/37/84/387673784.db2.gz OBVDNJLANYBEGZ-SNVBAGLBSA-N 1 2 249.333 3.337 20 0 BGADLO C[C@H]1CCCCN1c1[nH+]c2ccc(F)cc2n1C ZINC000431038747 387672769 /nfs/dbraw/zinc/67/27/69/387672769.db2.gz DWKJIVITQXVXMK-JTQLQIEISA-N 1 2 247.317 3.091 20 0 BGADLO C[C@@H]1CCCCN1c1[nH+]c2ccc(F)cc2n1C ZINC000431038749 387673033 /nfs/dbraw/zinc/67/30/33/387673033.db2.gz DWKJIVITQXVXMK-SNVBAGLBSA-N 1 2 247.317 3.091 20 0 BGADLO CC(C)[C@H](C)N(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431042371 387673000 /nfs/dbraw/zinc/67/30/00/387673000.db2.gz GTDMSCGKPGVBMX-JTQLQIEISA-N 1 2 249.333 3.193 20 0 BGADLO CC(C)[C@@H](C)N(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431042372 387673672 /nfs/dbraw/zinc/67/36/72/387673672.db2.gz GTDMSCGKPGVBMX-SNVBAGLBSA-N 1 2 249.333 3.193 20 0 BGADLO CC[C@H](C)CN(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431409376 387707658 /nfs/dbraw/zinc/70/76/58/387707658.db2.gz GCVRZACTDHASGW-JTQLQIEISA-N 1 2 249.333 3.195 20 0 BGADLO CC[C@@H](C)CN(C)c1[nH+]c2ccc(F)cc2n1C ZINC000431409377 387707715 /nfs/dbraw/zinc/70/77/15/387707715.db2.gz GCVRZACTDHASGW-SNVBAGLBSA-N 1 2 249.333 3.195 20 0 BGADLO CN(CC(C)(C)C)c1[nH+]c2ccc(F)cc2n1C ZINC000431418002 387707624 /nfs/dbraw/zinc/70/76/24/387707624.db2.gz CIHRPCCGXLEFON-UHFFFAOYSA-N 1 2 249.333 3.195 20 0 BGADLO CCCN(c1[nH+]c2ccc(F)cc2n1C)C1CC1 ZINC000431426523 387708779 /nfs/dbraw/zinc/70/87/79/387708779.db2.gz HQPJTVNFBAAPSK-UHFFFAOYSA-N 1 2 247.317 3.091 20 0 BGADLO C[C@@H]1CC[C@H](C)N1c1[nH+]c2ccc(F)cc2n1C ZINC000431426804 387708029 /nfs/dbraw/zinc/70/80/29/387708029.db2.gz KFDJFQXDSIPNKO-AOOOYVTPSA-N 1 2 247.317 3.090 20 0 BGADLO C[C@@H]1CC[C@@H](C)N1c1[nH+]c2ccc(F)cc2n1C ZINC000431426805 387708886 /nfs/dbraw/zinc/70/88/86/387708886.db2.gz KFDJFQXDSIPNKO-NXEZZACHSA-N 1 2 247.317 3.090 20 0 BGADLO C[C@H]1CC[C@H](C)N1c1[nH+]c2ccc(F)cc2n1C ZINC000431426806 387707704 /nfs/dbraw/zinc/70/77/04/387707704.db2.gz KFDJFQXDSIPNKO-UWVGGRQHSA-N 1 2 247.317 3.090 20 0 BGADLO c1ccc([C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000431474350 387710659 /nfs/dbraw/zinc/71/06/59/387710659.db2.gz CKJJSLNTBBEFBO-HNNXBMFYSA-N 1 2 238.334 3.466 20 0 BGADLO c1ccc([C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000431474352 387711392 /nfs/dbraw/zinc/71/13/92/387711392.db2.gz CKJJSLNTBBEFBO-OAHLLOKOSA-N 1 2 238.334 3.466 20 0 BGADLO Clc1ccccc1CCOc1cc[nH+]cc1 ZINC000431476126 387711134 /nfs/dbraw/zinc/71/11/34/387711134.db2.gz YOHMKLGHZJYRCQ-UHFFFAOYSA-N 1 2 233.698 3.357 20 0 BGADLO CCc1ccccc1CCOc1cc[nH+]cc1 ZINC000431479396 387709793 /nfs/dbraw/zinc/70/97/93/387709793.db2.gz VYXPDHUASUXYMV-UHFFFAOYSA-N 1 2 227.307 3.266 20 0 BGADLO COc1cccc(CCCOc2cc[nH+]cc2)c1 ZINC000431479959 387711109 /nfs/dbraw/zinc/71/11/09/387711109.db2.gz ZOOMQCSPMCCJLE-UHFFFAOYSA-N 1 2 243.306 3.102 20 0 BGADLO COc1ccc(COc2cc[nH+]cc2)cc1Cl ZINC000431480352 387711211 /nfs/dbraw/zinc/71/12/11/387711211.db2.gz CIUVAADAWOXNLN-UHFFFAOYSA-N 1 2 249.697 3.323 20 0 BGADLO Cc1cccc(CCCOc2cc[nH+]cc2)c1 ZINC000431480545 387711194 /nfs/dbraw/zinc/71/11/94/387711194.db2.gz DHEQZADVWWOFIM-UHFFFAOYSA-N 1 2 227.307 3.402 20 0 BGADLO c1c2ccccc2oc1COc1cc[nH+]cc1 ZINC000431481333 387710387 /nfs/dbraw/zinc/71/03/87/387710387.db2.gz HFQKLTRZRFKVJH-UHFFFAOYSA-N 1 2 225.247 3.407 20 0 BGADLO Fc1cccc(COc2cc[nH+]cc2)c1Cl ZINC000431482728 387710668 /nfs/dbraw/zinc/71/06/68/387710668.db2.gz MRKFDLBYFQQHDN-UHFFFAOYSA-N 1 2 237.661 3.453 20 0 BGADLO c1cc(CCCOc2cc[nH+]cc2)cs1 ZINC000431482834 387710728 /nfs/dbraw/zinc/71/07/28/387710728.db2.gz NRBOBKQGGRFITC-UHFFFAOYSA-N 1 2 219.309 3.155 20 0 BGADLO Fc1cccc(CCCOc2cc[nH+]cc2)c1 ZINC000431487291 387714182 /nfs/dbraw/zinc/71/41/82/387714182.db2.gz YPPYRPSEKSDIGH-UHFFFAOYSA-N 1 2 231.270 3.232 20 0 BGADLO Cc1ccc(COc2cc[nH+]cc2)cc1C ZINC000431488766 192918169 /nfs/dbraw/zinc/91/81/69/192918169.db2.gz WFTHEOSPLVWUKT-UHFFFAOYSA-N 1 2 213.280 3.277 20 0 BGADLO FC1(F)CCC[C@H](COc2cc[nH+]cc2)C1 ZINC000431489554 387712901 /nfs/dbraw/zinc/71/29/01/387712901.db2.gz HGEBKYFZVQSIHK-JTQLQIEISA-N 1 2 227.254 3.286 20 0 BGADLO FC1(F)CCC[C@@H](COc2cc[nH+]cc2)C1 ZINC000431489555 387713439 /nfs/dbraw/zinc/71/34/39/387713439.db2.gz HGEBKYFZVQSIHK-SNVBAGLBSA-N 1 2 227.254 3.286 20 0 BGADLO c1ccc([C@@H]2C[C@H]2COc2cc[nH+]cc2)cc1 ZINC000431490542 387712831 /nfs/dbraw/zinc/71/28/31/387712831.db2.gz LIUPUYWHKANABE-ZFWWWQNUSA-N 1 2 225.291 3.264 20 0 BGADLO CC(C)(C)OCCCCOc1cc[nH+]cc1 ZINC000431492290 387713313 /nfs/dbraw/zinc/71/33/13/387713313.db2.gz BVLQHNVQLQQCBY-UHFFFAOYSA-N 1 2 223.316 3.056 20 0 BGADLO Fc1cc(Cl)ccc1COc1cc[nH+]cc1 ZINC000431492686 387714519 /nfs/dbraw/zinc/71/45/19/387714519.db2.gz DUGCWFOXQOEFKN-UHFFFAOYSA-N 1 2 237.661 3.453 20 0 BGADLO CC(C)(C)c1nc(COc2cc[nH+]cc2)cs1 ZINC000431493070 387712740 /nfs/dbraw/zinc/71/27/40/387712740.db2.gz AFLAGOVTEYHGJN-UHFFFAOYSA-N 1 2 248.351 3.415 20 0 BGADLO Fc1c(Cl)cccc1COc1cc[nH+]cc1 ZINC000431493419 387714478 /nfs/dbraw/zinc/71/44/78/387714478.db2.gz HRVAOSJHWMUBSM-UHFFFAOYSA-N 1 2 237.661 3.453 20 0 BGADLO CCc1ccc(CCOc2cc[nH+]cc2)cc1 ZINC000431494543 387713669 /nfs/dbraw/zinc/71/36/69/387713669.db2.gz MPPMDUKGPAIEHW-UHFFFAOYSA-N 1 2 227.307 3.266 20 0 BGADLO Fc1ccc(COc2cc[nH+]cc2)cc1Cl ZINC000431496849 387714276 /nfs/dbraw/zinc/71/42/76/387714276.db2.gz UKKLOIWXMQAMRI-UHFFFAOYSA-N 1 2 237.661 3.453 20 0 BGADLO CCc1ccc(COc2cc[nH+]cc2)cc1 ZINC000431497382 387714039 /nfs/dbraw/zinc/71/40/39/387714039.db2.gz XBYNUZXJCFLYCU-UHFFFAOYSA-N 1 2 213.280 3.223 20 0 BGADLO Cc1ccc(CCCOc2cc[nH+]cc2)cc1 ZINC000431498034 387713696 /nfs/dbraw/zinc/71/36/96/387713696.db2.gz XXZPLCJSYDQHHJ-UHFFFAOYSA-N 1 2 227.307 3.402 20 0 BGADLO Fc1ccc(Cl)c(COc2cc[nH+]cc2)c1 ZINC000431501467 387713970 /nfs/dbraw/zinc/71/39/70/387713970.db2.gz FXZNSVJWHBXTHR-UHFFFAOYSA-N 1 2 237.661 3.453 20 0 BGADLO c1ccc2ncc(COc3cc[nH+]cc3)cc2c1 ZINC000431501477 192919997 /nfs/dbraw/zinc/91/99/97/192919997.db2.gz GBFSYMRKZRDXCN-UHFFFAOYSA-N 1 2 236.274 3.209 20 0 BGADLO c1ccc(CCCCOc2cc[nH+]cc2)cc1 ZINC000431501628 387713517 /nfs/dbraw/zinc/71/35/17/387713517.db2.gz GQDDVEAMXKDFIX-UHFFFAOYSA-N 1 2 227.307 3.483 20 0 BGADLO COc1cc(Cl)ccc1COc1cc[nH+]cc1 ZINC000431501645 387714413 /nfs/dbraw/zinc/71/44/13/387714413.db2.gz GUYZXIRYJOBCQH-UHFFFAOYSA-N 1 2 249.697 3.323 20 0 BGADLO Fc1ccc(Cl)cc1COc1cc[nH+]cc1 ZINC000431502110 387712750 /nfs/dbraw/zinc/71/27/50/387712750.db2.gz KRZYACNCNSFAMV-UHFFFAOYSA-N 1 2 237.661 3.453 20 0 BGADLO Cc1cccc(C)c1COc1cc[nH+]cc1 ZINC000431503690 387714212 /nfs/dbraw/zinc/71/42/12/387714212.db2.gz CDTBKOJOLHTWIH-UHFFFAOYSA-N 1 2 213.280 3.277 20 0 BGADLO Cc1ccc(CCOc2cc[nH+]cc2)cc1 ZINC000431504831 387712483 /nfs/dbraw/zinc/71/24/83/387712483.db2.gz HJZSAASUDDTTPP-UHFFFAOYSA-N 1 2 213.280 3.012 20 0 BGADLO c1cnc2c(c1)cccc2COc1cc[nH+]cc1 ZINC000431506763 192919646 /nfs/dbraw/zinc/91/96/46/192919646.db2.gz PCXBOFIIOURQPS-UHFFFAOYSA-N 1 2 236.274 3.209 20 0 BGADLO Clc1ccc(OCCOc2cc[nH+]cc2)cc1 ZINC000431507828 387714320 /nfs/dbraw/zinc/71/43/20/387714320.db2.gz OWTSSDHTEIVGBW-UHFFFAOYSA-N 1 2 249.697 3.193 20 0 BGADLO CC(C)c1nc(N2CC(C)(C)[C@H]2C(C)C)cc[nH+]1 ZINC000431510529 387714527 /nfs/dbraw/zinc/71/45/27/387714527.db2.gz ZFWCKXSUVQPOJE-CYBMUJFWSA-N 1 2 247.386 3.471 20 0 BGADLO CC(C)c1nc(N2CC(C)(C)[C@@H]2C(C)C)cc[nH+]1 ZINC000431510531 387712400 /nfs/dbraw/zinc/71/24/00/387712400.db2.gz ZFWCKXSUVQPOJE-ZDUSSCGKSA-N 1 2 247.386 3.471 20 0 BGADLO CCc1cccc(OCCOc2cc[nH+]cc2)c1 ZINC000431513101 387712987 /nfs/dbraw/zinc/71/29/87/387712987.db2.gz RRGLRKLITKIPQX-UHFFFAOYSA-N 1 2 243.306 3.102 20 0 BGADLO COc1ccc(Cl)c(COc2cc[nH+]cc2)c1 ZINC000431513197 387713251 /nfs/dbraw/zinc/71/32/51/387713251.db2.gz JSFXDGAKIFUJGD-UHFFFAOYSA-N 1 2 249.697 3.323 20 0 BGADLO Cc1ccc(F)cc1COc1cc[nH+]cc1 ZINC000431513411 192920055 /nfs/dbraw/zinc/92/00/55/192920055.db2.gz KTFGCJBOANLBHC-UHFFFAOYSA-N 1 2 217.243 3.108 20 0 BGADLO c1ccc(CSCCOc2cc[nH+]cc2)cc1 ZINC000431513415 387713063 /nfs/dbraw/zinc/71/30/63/387713063.db2.gz KUYWVNFUGZFNDS-UHFFFAOYSA-N 1 2 245.347 3.394 20 0 BGADLO CC(C)[C@H]1N(c2cc[nH+]c(C3CC3)n2)CC1(C)C ZINC000431514253 387715086 /nfs/dbraw/zinc/71/50/86/387715086.db2.gz YKGVATPQWBGXDO-CYBMUJFWSA-N 1 2 245.370 3.225 20 0 BGADLO CC(C)[C@@H]1N(c2cc[nH+]c(C3CC3)n2)CC1(C)C ZINC000431514254 387716960 /nfs/dbraw/zinc/71/69/60/387716960.db2.gz YKGVATPQWBGXDO-ZDUSSCGKSA-N 1 2 245.370 3.225 20 0 BGADLO CCc1cccc(COc2cc[nH+]cc2)c1 ZINC000431514521 192919790 /nfs/dbraw/zinc/91/97/90/192919790.db2.gz QRDQPFAAKIDEOT-UHFFFAOYSA-N 1 2 213.280 3.223 20 0 BGADLO CC[C@@H]1CCCCN1c1cc[nH+]c2ccncc21 ZINC000432137004 387763155 /nfs/dbraw/zinc/76/31/55/387763155.db2.gz GIHDIGIMWGKLCT-GFCCVEGCSA-N 1 2 241.338 3.399 20 0 BGADLO CC[C@H]1CCCCN1c1cc[nH+]c2ccncc21 ZINC000432137019 387763043 /nfs/dbraw/zinc/76/30/43/387763043.db2.gz GIHDIGIMWGKLCT-LBPRGKRZSA-N 1 2 241.338 3.399 20 0 BGADLO Clc1cccc(CCn2cc[nH+]c2)c1Cl ZINC000432490135 224878152 /nfs/dbraw/zinc/87/81/52/224878152.db2.gz BTUROXSCAOOZGO-UHFFFAOYSA-N 1 2 241.121 3.433 20 0 BGADLO CC[N@@H+](Cc1cocn1)[C@H](C)c1ccc(F)cc1 ZINC000432737425 387812880 /nfs/dbraw/zinc/81/28/80/387812880.db2.gz KRAZJWKFVXZOMT-LLVKDONJSA-N 1 2 248.301 3.397 20 0 BGADLO CC[N@H+](Cc1cocn1)[C@H](C)c1ccc(F)cc1 ZINC000432737425 387812879 /nfs/dbraw/zinc/81/28/79/387812879.db2.gz KRAZJWKFVXZOMT-LLVKDONJSA-N 1 2 248.301 3.397 20 0 BGADLO CC[N@@H+](Cc1cocn1)[C@@H](C)c1ccc(F)cc1 ZINC000432737426 387812330 /nfs/dbraw/zinc/81/23/30/387812330.db2.gz KRAZJWKFVXZOMT-NSHDSACASA-N 1 2 248.301 3.397 20 0 BGADLO CC[N@H+](Cc1cocn1)[C@@H](C)c1ccc(F)cc1 ZINC000432737426 387812327 /nfs/dbraw/zinc/81/23/27/387812327.db2.gz KRAZJWKFVXZOMT-NSHDSACASA-N 1 2 248.301 3.397 20 0 BGADLO CC1(CNc2cccc(CO)[nH+]2)CCCCCC1 ZINC000432748679 387812361 /nfs/dbraw/zinc/81/23/61/387812361.db2.gz DOQGNKOAVODNMS-UHFFFAOYSA-N 1 2 248.370 3.346 20 0 BGADLO CC[N@@H+](CCC1CCOCC1)c1ccccc1 ZINC000432821799 387827791 /nfs/dbraw/zinc/82/77/91/387827791.db2.gz KFFOIVFSMRLZIQ-UHFFFAOYSA-N 1 2 233.355 3.330 20 0 BGADLO CC[N@H+](CCC1CCOCC1)c1ccccc1 ZINC000432821799 387827788 /nfs/dbraw/zinc/82/77/88/387827788.db2.gz KFFOIVFSMRLZIQ-UHFFFAOYSA-N 1 2 233.355 3.330 20 0 BGADLO C[C@@H]1CC2(CCC2)CN1c1[nH]c2ccccc2[nH+]1 ZINC000432844523 192964884 /nfs/dbraw/zinc/96/48/84/192964884.db2.gz FCTOZCQHSFQKJA-LLVKDONJSA-N 1 2 241.338 3.332 20 0 BGADLO C[C@H]1CC2(CCC2)CN1c1[nH]c2ccccc2[nH+]1 ZINC000432844524 192965081 /nfs/dbraw/zinc/96/50/81/192965081.db2.gz FCTOZCQHSFQKJA-NSHDSACASA-N 1 2 241.338 3.332 20 0 BGADLO CC(C)(C)OC1CC(CCNc2cccc[nH+]2)C1 ZINC000432844692 387832542 /nfs/dbraw/zinc/83/25/42/387832542.db2.gz AGUPKOVXORUSJL-UHFFFAOYSA-N 1 2 248.370 3.477 20 0 BGADLO C[C@@H]1CC2(CCC2)CN1c1cc[nH+]c(C2CC2)n1 ZINC000432845812 387833402 /nfs/dbraw/zinc/83/34/02/387833402.db2.gz GSMKNRHMMMYDQA-LLVKDONJSA-N 1 2 243.354 3.123 20 0 BGADLO C[C@H]1CC2(CCC2)CN1c1cc[nH+]c(C2CC2)n1 ZINC000432845813 387832793 /nfs/dbraw/zinc/83/27/93/387832793.db2.gz GSMKNRHMMMYDQA-NSHDSACASA-N 1 2 243.354 3.123 20 0 BGADLO CC(C)c1nc(N2CC3(CCC3)C[C@H]2C)cc[nH+]1 ZINC000432858294 387834905 /nfs/dbraw/zinc/83/49/05/387834905.db2.gz ILMMFSNJVMTTRK-GFCCVEGCSA-N 1 2 245.370 3.369 20 0 BGADLO CC(C)c1nc(N2CC3(CCC3)C[C@@H]2C)cc[nH+]1 ZINC000432858295 387834560 /nfs/dbraw/zinc/83/45/60/387834560.db2.gz ILMMFSNJVMTTRK-LBPRGKRZSA-N 1 2 245.370 3.369 20 0 BGADLO Cc1nc(N2CC3(CCC3)C[C@@H]2C)c(C)c(C)[nH+]1 ZINC000432877305 192968174 /nfs/dbraw/zinc/96/81/74/192968174.db2.gz MMTMGHHLNKCFPE-JTQLQIEISA-N 1 2 245.370 3.171 20 0 BGADLO Cc1nc(N2CC3(CCC3)C[C@H]2C)c(C)c(C)[nH+]1 ZINC000432877306 387836394 /nfs/dbraw/zinc/83/63/94/387836394.db2.gz MMTMGHHLNKCFPE-SNVBAGLBSA-N 1 2 245.370 3.171 20 0 BGADLO C/C(=C/c1ccccc1)C[N@H+](C)Cc1cocn1 ZINC000432929887 192393262 /nfs/dbraw/zinc/39/32/62/192393262.db2.gz ZWBWRZNTCOTGFT-JYRVWZFOSA-N 1 2 242.322 3.210 20 0 BGADLO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cocn1 ZINC000432929887 192393260 /nfs/dbraw/zinc/39/32/60/192393260.db2.gz ZWBWRZNTCOTGFT-JYRVWZFOSA-N 1 2 242.322 3.210 20 0 BGADLO C/C(=C\c1ccccc1)C[N@H+](C)Cc1cocn1 ZINC000432929888 192392942 /nfs/dbraw/zinc/39/29/42/192392942.db2.gz ZWBWRZNTCOTGFT-MDWZMJQESA-N 1 2 242.322 3.210 20 0 BGADLO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1cocn1 ZINC000432929888 192392941 /nfs/dbraw/zinc/39/29/41/192392941.db2.gz ZWBWRZNTCOTGFT-MDWZMJQESA-N 1 2 242.322 3.210 20 0 BGADLO CCOCCC[NH2+][C@H](c1ccccc1)C(F)F ZINC000433038911 387855268 /nfs/dbraw/zinc/85/52/68/387855268.db2.gz JIGKFPLEPWUEKM-GFCCVEGCSA-N 1 2 243.297 3.009 20 0 BGADLO CCOCCC[NH2+][C@@H](c1ccccc1)C(F)F ZINC000433038912 387855717 /nfs/dbraw/zinc/85/57/17/387855717.db2.gz JIGKFPLEPWUEKM-LBPRGKRZSA-N 1 2 243.297 3.009 20 0 BGADLO CC1(C)CC(Nc2ccc(N3CCCC3)c[nH+]2)C1 ZINC000433240787 201170656 /nfs/dbraw/zinc/17/06/56/201170656.db2.gz PEDRIBICPLOPEF-UHFFFAOYSA-N 1 2 245.370 3.282 20 0 BGADLO Cc1cc(N[C@H](C)c2ccc(F)c(C)c2)nc[nH+]1 ZINC000433644936 201189650 /nfs/dbraw/zinc/18/96/50/201189650.db2.gz MKXPJTMCUJRDQP-LLVKDONJSA-N 1 2 245.301 3.406 20 0 BGADLO Cc1nc2[nH]ccc2c(NCCC2CCCC2)[nH+]1 ZINC000433769753 201192722 /nfs/dbraw/zinc/19/27/22/201192722.db2.gz XETHGBALQBWYQR-UHFFFAOYSA-N 1 2 244.342 3.210 20 0 BGADLO Cc1nc2[nH]ccc2c(NCCCC(C)C)[nH+]1 ZINC000433774947 201193238 /nfs/dbraw/zinc/19/32/38/201193238.db2.gz RKXFMHRDRFUSQC-UHFFFAOYSA-N 1 2 232.331 3.066 20 0 BGADLO CCC[C@H](CC)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433789465 201194070 /nfs/dbraw/zinc/19/40/70/201194070.db2.gz MMROMZOXLDJCQS-JTQLQIEISA-N 1 2 232.331 3.257 20 0 BGADLO CCC[C@@H](CC)Nc1[nH+]c(C)nc2[nH]ccc21 ZINC000433789466 201193429 /nfs/dbraw/zinc/19/34/29/201193429.db2.gz MMROMZOXLDJCQS-SNVBAGLBSA-N 1 2 232.331 3.257 20 0 BGADLO CC[C@H](C)CN(CC)c1[nH+]c(C)nc2[nH]ccc21 ZINC000433790633 201194183 /nfs/dbraw/zinc/19/41/83/201194183.db2.gz ZCXPJVKZJINTFY-JTQLQIEISA-N 1 2 246.358 3.139 20 0 BGADLO CC[C@@H](C)CN(CC)c1[nH+]c(C)nc2[nH]ccc21 ZINC000433790634 201192791 /nfs/dbraw/zinc/19/27/91/201192791.db2.gz ZCXPJVKZJINTFY-SNVBAGLBSA-N 1 2 246.358 3.139 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@@H]2CCCC2(C)C)[nH+]1 ZINC000433794357 201194025 /nfs/dbraw/zinc/19/40/25/201194025.db2.gz XCWHAVVSINSIQE-LLVKDONJSA-N 1 2 244.342 3.257 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@H]2CCCC2(C)C)[nH+]1 ZINC000433794358 201193256 /nfs/dbraw/zinc/19/32/56/201193256.db2.gz XCWHAVVSINSIQE-NSHDSACASA-N 1 2 244.342 3.257 20 0 BGADLO Cc1cc(C)cc(CN(C)c2cccc[nH+]2)c1 ZINC000433802580 201193775 /nfs/dbraw/zinc/19/37/75/201193775.db2.gz JPNISOBTFVCXKO-UHFFFAOYSA-N 1 2 226.323 3.335 20 0 BGADLO Cc1cc(C)cc(CN(C)c2cc(C)[nH+]cn2)c1 ZINC000433804186 201196513 /nfs/dbraw/zinc/19/65/13/201196513.db2.gz XSEHFGZYZFKBBV-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO CC(C)c1nc(NC2CCC3(CC3)CC2)cc[nH+]1 ZINC000433805699 201195289 /nfs/dbraw/zinc/19/52/89/201195289.db2.gz XGRWSZMCZJYWIB-UHFFFAOYSA-N 1 2 245.370 3.157 20 0 BGADLO Cc1cc(C)cc(CN(C)c2cc[nH+]c(C)n2)c1 ZINC000433806420 201195577 /nfs/dbraw/zinc/19/55/77/201195577.db2.gz TUTNXVIPNLYQBL-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO CC1(CNc2cccc(-n3cc[nH+]c3)c2)CCC1 ZINC000434774020 537901340 /nfs/dbraw/zinc/90/13/40/537901340.db2.gz KXEVOIPTXNDUKZ-UHFFFAOYSA-N 1 2 241.338 3.474 20 0 BGADLO CC1(CNc2ccc(N3CCCC3)[nH+]c2)CCC1 ZINC000434776041 537900314 /nfs/dbraw/zinc/90/03/14/537900314.db2.gz LTTXKSWUTSBDAY-UHFFFAOYSA-N 1 2 245.370 3.284 20 0 BGADLO CC1(C[NH2+]c2ccc(-n3cccn3)cc2)CCC1 ZINC000434777438 537901574 /nfs/dbraw/zinc/90/15/74/537901574.db2.gz UHEZWPPPNXAICS-UHFFFAOYSA-N 1 2 241.338 3.474 20 0 BGADLO CC1(CNc2ccc(N3CCCC3)c[nH+]2)CCC1 ZINC000434778600 537900902 /nfs/dbraw/zinc/90/09/02/537900902.db2.gz SGYWXXNYFJNTLT-UHFFFAOYSA-N 1 2 245.370 3.284 20 0 BGADLO CCN(Cc1c[nH+]cn1C)c1cccc(C)c1C ZINC000434832294 201243673 /nfs/dbraw/zinc/24/36/73/201243673.db2.gz CVVBSZHCOFCFMJ-UHFFFAOYSA-N 1 2 243.354 3.063 20 0 BGADLO Cc1cccc(N(Cc2c[nH+]cn2C)C(C)C)c1 ZINC000434841159 201243974 /nfs/dbraw/zinc/24/39/74/201243974.db2.gz LDTVAIVEOPPOBD-UHFFFAOYSA-N 1 2 243.354 3.144 20 0 BGADLO Cc1ccccc1N(Cc1c[nH+]cn1C)C(C)C ZINC000434841592 201242767 /nfs/dbraw/zinc/24/27/67/201242767.db2.gz MNEIPNHSBSAUSG-UHFFFAOYSA-N 1 2 243.354 3.144 20 0 BGADLO Clc1ccc(C[N@H+]2CCc3ccccc3C2)o1 ZINC000435235222 201256617 /nfs/dbraw/zinc/25/66/17/201256617.db2.gz LQJGILNRDCLSLE-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Clc1ccc(C[N@@H+]2CCc3ccccc3C2)o1 ZINC000435235222 201256614 /nfs/dbraw/zinc/25/66/14/201256614.db2.gz LQJGILNRDCLSLE-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Fc1cccc(F)c1[C@@H]1C[C@H]1Nc1cccc[nH+]1 ZINC000435567536 201274802 /nfs/dbraw/zinc/27/48/02/201274802.db2.gz LVKJKPUIPIBZDX-BXKDBHETSA-N 1 2 246.260 3.328 20 0 BGADLO Cc1cc(N2CCC=C(C)C2)nc(C(C)C)[nH+]1 ZINC000435590416 201277074 /nfs/dbraw/zinc/27/70/74/201277074.db2.gz VZBKLGXGYHIYLQ-UHFFFAOYSA-N 1 2 231.343 3.065 20 0 BGADLO FCCNc1[nH+]cccc1OCc1ccccc1 ZINC000435591146 201277398 /nfs/dbraw/zinc/27/73/98/201277398.db2.gz ASWNDDHPRKXHME-UHFFFAOYSA-N 1 2 246.285 3.042 20 0 BGADLO Cc1cc(N[C@H]2C[C@H](c3ccccc3)C2)nc[nH+]1 ZINC000435594025 201277696 /nfs/dbraw/zinc/27/76/96/201277696.db2.gz UWGGTSBUNCGMHW-HDJSIYSDSA-N 1 2 239.322 3.143 20 0 BGADLO CSc1ccc(CCNc2cccc[nH+]2)cc1 ZINC000435601531 201280240 /nfs/dbraw/zinc/28/02/40/201280240.db2.gz NQLCEKKABUZKBB-UHFFFAOYSA-N 1 2 244.363 3.458 20 0 BGADLO Cc1cc(N2C[C@@H](C)CC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000435944032 201301516 /nfs/dbraw/zinc/30/15/16/201301516.db2.gz FUIFGTZGTLYUJL-CMPLNLGQSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2C[C@@H](C)CC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000435944278 201301031 /nfs/dbraw/zinc/30/10/31/201301031.db2.gz FUIFGTZGTLYUJL-JQWIXIFHSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2C[C@H](C)CC[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000435944280 201300166 /nfs/dbraw/zinc/30/01/66/201300166.db2.gz FUIFGTZGTLYUJL-PWSUYJOCSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2C[C@H](C)CC[C@H]2C)nc(C2CC2)[nH+]1 ZINC000435944282 201299962 /nfs/dbraw/zinc/29/99/62/201299962.db2.gz FUIFGTZGTLYUJL-ZYHUDNBSSA-N 1 2 245.370 3.287 20 0 BGADLO Fc1cccc2[nH]c(CNc3cccc[nH+]3)cc21 ZINC000436007346 201304399 /nfs/dbraw/zinc/30/43/99/201304399.db2.gz NJGRVPKCCOYOGR-UHFFFAOYSA-N 1 2 241.269 3.314 20 0 BGADLO COc1cccc2c(NCC3CCC3)cc[nH+]c12 ZINC000436196084 201314012 /nfs/dbraw/zinc/31/40/12/201314012.db2.gz GJRAJOQBXZDQSX-UHFFFAOYSA-N 1 2 242.322 3.455 20 0 BGADLO CC1=CCC[N@H+](Cc2csc(C(C)C)n2)C1 ZINC000436257410 201316509 /nfs/dbraw/zinc/31/65/09/201316509.db2.gz DXNFGRVYZNXQTG-UHFFFAOYSA-N 1 2 236.384 3.419 20 0 BGADLO CC1=CCC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000436257410 201316506 /nfs/dbraw/zinc/31/65/06/201316506.db2.gz DXNFGRVYZNXQTG-UHFFFAOYSA-N 1 2 236.384 3.419 20 0 BGADLO COc1cccc2c(N(C)CC(C)C)cc[nH+]c12 ZINC000436293672 201319891 /nfs/dbraw/zinc/31/98/91/201319891.db2.gz DRLIIBZNOXGXSO-UHFFFAOYSA-N 1 2 244.338 3.336 20 0 BGADLO COc1cccc2c(N3CC[C@@H](C)C3)cc[nH+]c12 ZINC000436310021 201320360 /nfs/dbraw/zinc/32/03/60/201320360.db2.gz PNQHOPCEQXBEKO-LLVKDONJSA-N 1 2 242.322 3.090 20 0 BGADLO COc1cccc2c(N3CC[C@H](C)C3)cc[nH+]c12 ZINC000436310022 201320350 /nfs/dbraw/zinc/32/03/50/201320350.db2.gz PNQHOPCEQXBEKO-NSHDSACASA-N 1 2 242.322 3.090 20 0 BGADLO CC(C)c1nc(N2CC(C)C2)cc(C(C)(C)C)[nH+]1 ZINC000436331656 201322238 /nfs/dbraw/zinc/32/22/38/201322238.db2.gz HCOFCQMDHCAFNF-UHFFFAOYSA-N 1 2 247.386 3.354 20 0 BGADLO COc1cccc2c(NC3CCC3)cc[nH+]c12 ZINC000436426205 201326241 /nfs/dbraw/zinc/32/62/41/201326241.db2.gz CWGAQELEHRQMMG-UHFFFAOYSA-N 1 2 228.295 3.208 20 0 BGADLO Cc1cc(CN(C)c2cccc[nH+]2)ccc1F ZINC000436427948 201326822 /nfs/dbraw/zinc/32/68/22/201326822.db2.gz CTQCYPYJWICFMF-UHFFFAOYSA-N 1 2 230.286 3.166 20 0 BGADLO Cc1ccc(F)c(CN(C)c2cccc[nH+]2)c1 ZINC000436429949 201327478 /nfs/dbraw/zinc/32/74/78/201327478.db2.gz FPKJQJIVKHJBDE-UHFFFAOYSA-N 1 2 230.286 3.166 20 0 BGADLO COc1cccc2c(NCC3(C)CC3)cc[nH+]c12 ZINC000436450072 201327114 /nfs/dbraw/zinc/32/71/14/201327114.db2.gz HTPVVKFZMWOQDS-UHFFFAOYSA-N 1 2 242.322 3.455 20 0 BGADLO CC(C)c1nc(N2CCC[C@@H](C(C)C)C2)cc[nH+]1 ZINC000436463926 201327518 /nfs/dbraw/zinc/32/75/18/201327518.db2.gz LZWVVLOUEKGLTK-CYBMUJFWSA-N 1 2 247.386 3.472 20 0 BGADLO CC(C)c1nc(N2CCC[C@H](C(C)C)C2)cc[nH+]1 ZINC000436463927 201327785 /nfs/dbraw/zinc/32/77/85/201327785.db2.gz LZWVVLOUEKGLTK-ZDUSSCGKSA-N 1 2 247.386 3.472 20 0 BGADLO CC(C)[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000436467844 201325969 /nfs/dbraw/zinc/32/59/69/201325969.db2.gz BIOVESKFDPJQDK-CYBMUJFWSA-N 1 2 245.370 3.226 20 0 BGADLO CC(C)[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000436467903 201326065 /nfs/dbraw/zinc/32/60/65/201326065.db2.gz BIOVESKFDPJQDK-ZDUSSCGKSA-N 1 2 245.370 3.226 20 0 BGADLO CC(C)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000436469319 201326033 /nfs/dbraw/zinc/32/60/33/201326033.db2.gz OJKFYKODZHDTAF-GFCCVEGCSA-N 1 2 243.354 3.435 20 0 BGADLO CC(C)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000436469320 201327687 /nfs/dbraw/zinc/32/76/87/201327687.db2.gz OJKFYKODZHDTAF-LBPRGKRZSA-N 1 2 243.354 3.435 20 0 BGADLO Cc1ccc(NC2CC3(CCC3)C2)c[nH+]1 ZINC000436470356 201329330 /nfs/dbraw/zinc/32/93/30/201329330.db2.gz JXFVBKYJIKDPCA-UHFFFAOYSA-N 1 2 202.301 3.135 20 0 BGADLO CCCCN(C)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000436486125 201328580 /nfs/dbraw/zinc/32/85/80/201328580.db2.gz BJHDRSJIIUPZJN-UHFFFAOYSA-N 1 2 249.358 3.271 20 0 BGADLO COc1cc(C[N@H+]2CCC=C(F)C2)ccc1C ZINC000436488580 201328965 /nfs/dbraw/zinc/32/89/65/201328965.db2.gz SAQFSOMLDDUWID-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO COc1cc(C[N@@H+]2CCC=C(F)C2)ccc1C ZINC000436488580 201328962 /nfs/dbraw/zinc/32/89/62/201328962.db2.gz SAQFSOMLDDUWID-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO F[C@@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000436727723 201335668 /nfs/dbraw/zinc/33/56/68/201335668.db2.gz BVCVBCZNIQWHBG-BDAKNGLRSA-N 1 2 248.223 3.403 20 0 BGADLO F[C@H]1CCC[C@H]1Nc1cc(C(F)(F)F)cc[nH+]1 ZINC000436727724 201337373 /nfs/dbraw/zinc/33/73/73/201337373.db2.gz BVCVBCZNIQWHBG-DTWKUNHWSA-N 1 2 248.223 3.403 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@H]2CC[C@H](C)CC2)[nH+]1 ZINC000436997504 201340846 /nfs/dbraw/zinc/34/08/46/201340846.db2.gz NDQOGAQFUSDUQR-HOMQSWHASA-N 1 2 244.342 3.257 20 0 BGADLO CC(C)SCc1[nH+]ccn1CC(F)(F)F ZINC000437267898 201349647 /nfs/dbraw/zinc/34/96/47/201349647.db2.gz NUAGQWAEDFYYLA-UHFFFAOYSA-N 1 2 238.278 3.087 20 0 BGADLO CCCSCc1[nH+]ccn1CC(F)(F)F ZINC000437289544 201350274 /nfs/dbraw/zinc/35/02/74/201350274.db2.gz SGESPQGKADMYTG-UHFFFAOYSA-N 1 2 238.278 3.089 20 0 BGADLO CC1=CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000437339228 201351611 /nfs/dbraw/zinc/35/16/11/201351611.db2.gz IJNZFXIKNXPYSN-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CC1=CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000437339228 201351607 /nfs/dbraw/zinc/35/16/07/201351607.db2.gz IJNZFXIKNXPYSN-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CC1=CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000437340361 201351165 /nfs/dbraw/zinc/35/11/65/201351165.db2.gz CMQXSMDZXCCQQV-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CC1=CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000437340361 201351161 /nfs/dbraw/zinc/35/11/61/201351161.db2.gz CMQXSMDZXCCQQV-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CC1(C[N@@H+](CC2CCC2)c2ccccc2)COC1 ZINC000437509120 201354500 /nfs/dbraw/zinc/35/45/00/201354500.db2.gz TXFWRZMAKPISBU-UHFFFAOYSA-N 1 2 245.366 3.330 20 0 BGADLO CC1(C[N@H+](CC2CCC2)c2ccccc2)COC1 ZINC000437509120 201354498 /nfs/dbraw/zinc/35/44/98/201354498.db2.gz TXFWRZMAKPISBU-UHFFFAOYSA-N 1 2 245.366 3.330 20 0 BGADLO COCCC[N@@H+](CC1CCC1)c1ccccc1 ZINC000437525734 201354929 /nfs/dbraw/zinc/35/49/29/201354929.db2.gz IQYLHVSNALLOOU-UHFFFAOYSA-N 1 2 233.355 3.330 20 0 BGADLO COCCC[N@H+](CC1CCC1)c1ccccc1 ZINC000437525734 201354927 /nfs/dbraw/zinc/35/49/27/201354927.db2.gz IQYLHVSNALLOOU-UHFFFAOYSA-N 1 2 233.355 3.330 20 0 BGADLO COc1ccc2c(c1)[nH+]ccc2OCCC1CC1 ZINC000437618610 537925890 /nfs/dbraw/zinc/92/58/90/537925890.db2.gz FJDDZHOKCRYFLT-UHFFFAOYSA-N 1 2 243.306 3.422 20 0 BGADLO c1cn(-c2cccc(OCCC3CC3)c2)c[nH+]1 ZINC000437619551 537925487 /nfs/dbraw/zinc/92/54/87/537925487.db2.gz IMWSSRKAPCIYEG-UHFFFAOYSA-N 1 2 228.295 3.051 20 0 BGADLO C[C@H](C[N@@H+](C)CC(F)F)c1ccc(F)cc1 ZINC000437692776 201368007 /nfs/dbraw/zinc/36/80/07/201368007.db2.gz PGRSMODPIRTXLL-SECBINFHSA-N 1 2 231.261 3.126 20 0 BGADLO C[C@H](C[N@H+](C)CC(F)F)c1ccc(F)cc1 ZINC000437692776 201368004 /nfs/dbraw/zinc/36/80/04/201368004.db2.gz PGRSMODPIRTXLL-SECBINFHSA-N 1 2 231.261 3.126 20 0 BGADLO C[C@@H](C[N@@H+](C)CC(F)F)c1ccc(F)cc1 ZINC000437692781 201368106 /nfs/dbraw/zinc/36/81/06/201368106.db2.gz PGRSMODPIRTXLL-VIFPVBQESA-N 1 2 231.261 3.126 20 0 BGADLO C[C@@H](C[N@H+](C)CC(F)F)c1ccc(F)cc1 ZINC000437692781 201368103 /nfs/dbraw/zinc/36/81/03/201368103.db2.gz PGRSMODPIRTXLL-VIFPVBQESA-N 1 2 231.261 3.126 20 0 BGADLO C[C@]1(c2ccccc2)CC[C@@H]([NH+]2CC(F)C2)C1 ZINC000437796483 206073288 /nfs/dbraw/zinc/07/32/88/206073288.db2.gz HAZIRKRHFPRTRX-CABCVRRESA-N 1 2 233.330 3.151 20 0 BGADLO C[C@]1(c2ccccc2)CC[C@H]([NH+]2CC(F)C2)C1 ZINC000437796485 201374970 /nfs/dbraw/zinc/37/49/70/201374970.db2.gz HAZIRKRHFPRTRX-GJZGRUSLSA-N 1 2 233.330 3.151 20 0 BGADLO C[C@@]1(c2ccccc2)CC[C@@H]([NH+]2CC(F)C2)C1 ZINC000437796487 201374022 /nfs/dbraw/zinc/37/40/22/201374022.db2.gz HAZIRKRHFPRTRX-HUUCEWRRSA-N 1 2 233.330 3.151 20 0 BGADLO C[C@@]1(c2ccccc2)CC[C@H]([NH+]2CC(F)C2)C1 ZINC000437796489 201375134 /nfs/dbraw/zinc/37/51/34/201375134.db2.gz HAZIRKRHFPRTRX-LSDHHAIUSA-N 1 2 233.330 3.151 20 0 BGADLO C[C@@H](C[N@H+]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000437797118 201375213 /nfs/dbraw/zinc/37/52/13/201375213.db2.gz ICLHTSPUELWCGL-JTQLQIEISA-N 1 2 243.272 3.270 20 0 BGADLO C[C@@H](C[N@@H+]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000437797118 201375211 /nfs/dbraw/zinc/37/52/11/201375211.db2.gz ICLHTSPUELWCGL-JTQLQIEISA-N 1 2 243.272 3.270 20 0 BGADLO C[C@H](C[N@H+]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000437797121 201374191 /nfs/dbraw/zinc/37/41/91/201374191.db2.gz ICLHTSPUELWCGL-SNVBAGLBSA-N 1 2 243.272 3.270 20 0 BGADLO C[C@H](C[N@@H+]1CCC(F)(F)C1)c1ccc(F)cc1 ZINC000437797121 201374188 /nfs/dbraw/zinc/37/41/88/201374188.db2.gz ICLHTSPUELWCGL-SNVBAGLBSA-N 1 2 243.272 3.270 20 0 BGADLO Cc1cc(C)cc([N@@H+](C)CC[C@H]2CCOC2)c1 ZINC000437800811 201374131 /nfs/dbraw/zinc/37/41/31/201374131.db2.gz OJGVUJVUFXIEEG-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cc(C)cc([N@H+](C)CC[C@H]2CCOC2)c1 ZINC000437800811 201374129 /nfs/dbraw/zinc/37/41/29/201374129.db2.gz OJGVUJVUFXIEEG-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cc(C)cc([N@@H+](C)CC[C@@H]2CCOC2)c1 ZINC000437800817 206072904 /nfs/dbraw/zinc/07/29/04/206072904.db2.gz OJGVUJVUFXIEEG-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cc(C)cc([N@H+](C)CC[C@@H]2CCOC2)c1 ZINC000437800817 206072900 /nfs/dbraw/zinc/07/29/00/206072900.db2.gz OJGVUJVUFXIEEG-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc(C)c([N@@H+](C)CC[C@H]2CCOC2)c1 ZINC000437995490 201383035 /nfs/dbraw/zinc/38/30/35/201383035.db2.gz RKSWFNVNYUJPEH-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc(C)c([N@H+](C)CC[C@H]2CCOC2)c1 ZINC000437995490 201383029 /nfs/dbraw/zinc/38/30/29/201383029.db2.gz RKSWFNVNYUJPEH-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc(C)c([N@@H+](C)CC[C@@H]2CCOC2)c1 ZINC000437995493 201382692 /nfs/dbraw/zinc/38/26/92/201382692.db2.gz RKSWFNVNYUJPEH-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc(C)c([N@H+](C)CC[C@@H]2CCOC2)c1 ZINC000437995493 201382690 /nfs/dbraw/zinc/38/26/90/201382690.db2.gz RKSWFNVNYUJPEH-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO CC(C)(C)CC[NH2+]c1ccc(-n2ccnn2)cc1 ZINC000438072804 201385262 /nfs/dbraw/zinc/38/52/62/201385262.db2.gz LDNNLCDWGRXRAX-UHFFFAOYSA-N 1 2 244.342 3.115 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]CC[C@@H]1CCOC1 ZINC000438073480 201386543 /nfs/dbraw/zinc/38/65/43/201386543.db2.gz OHKWMCWENQCCKB-CYBMUJFWSA-N 1 2 249.354 3.232 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]CC[C@H]1CCOC1 ZINC000438073481 201385808 /nfs/dbraw/zinc/38/58/08/201385808.db2.gz OHKWMCWENQCCKB-ZDUSSCGKSA-N 1 2 249.354 3.232 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000438118328 201393226 /nfs/dbraw/zinc/39/32/26/201393226.db2.gz XHKOXWDGXNOOLF-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000438118328 201393225 /nfs/dbraw/zinc/39/32/25/201393225.db2.gz XHKOXWDGXNOOLF-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000438118329 201393372 /nfs/dbraw/zinc/39/33/72/201393372.db2.gz XHKOXWDGXNOOLF-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000438118329 201393370 /nfs/dbraw/zinc/39/33/70/201393370.db2.gz XHKOXWDGXNOOLF-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO CCSCCNc1ccc(-n2cc[nH+]c2)cc1 ZINC000438118917 201392802 /nfs/dbraw/zinc/39/28/02/201392802.db2.gz YZIIEOPLUZFIBB-UHFFFAOYSA-N 1 2 247.367 3.037 20 0 BGADLO Cc1cccc([N@@H+](C)CC[C@H]2CCOC2)c1C ZINC000438276108 387919813 /nfs/dbraw/zinc/91/98/13/387919813.db2.gz QJNVMGMHOCSJFF-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cccc([N@H+](C)CC[C@H]2CCOC2)c1C ZINC000438276108 387919812 /nfs/dbraw/zinc/91/98/12/387919812.db2.gz QJNVMGMHOCSJFF-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cccc([N@@H+](C)CC[C@@H]2CCOC2)c1C ZINC000438276109 387919653 /nfs/dbraw/zinc/91/96/53/387919653.db2.gz QJNVMGMHOCSJFF-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cccc([N@H+](C)CC[C@@H]2CCOC2)c1C ZINC000438276109 387919648 /nfs/dbraw/zinc/91/96/48/387919648.db2.gz QJNVMGMHOCSJFF-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO c1cnn(-c2ccc([NH2+]CCC3CC3)cc2)c1 ZINC000438312148 537940023 /nfs/dbraw/zinc/94/00/23/537940023.db2.gz ASOJZOYFDPZCOE-UHFFFAOYSA-N 1 2 227.311 3.084 20 0 BGADLO CC[N@@H+](CCCCCO)c1cccc(C)c1C ZINC000438799788 387957249 /nfs/dbraw/zinc/95/72/49/387957249.db2.gz BJPKIXJREBNIQO-UHFFFAOYSA-N 1 2 235.371 3.292 20 0 BGADLO CC[N@H+](CCCCCO)c1cccc(C)c1C ZINC000438799788 387957247 /nfs/dbraw/zinc/95/72/47/387957247.db2.gz BJPKIXJREBNIQO-UHFFFAOYSA-N 1 2 235.371 3.292 20 0 BGADLO CC[N@@H+](CC1(C)COC1)c1cccc(C)c1C ZINC000438808977 387957012 /nfs/dbraw/zinc/95/70/12/387957012.db2.gz VKOIMVMRACTAAB-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@H+](CC1(C)COC1)c1cccc(C)c1C ZINC000438808977 387957006 /nfs/dbraw/zinc/95/70/06/387957006.db2.gz VKOIMVMRACTAAB-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO CC1C[NH+](Cc2cccc(Cl)c2Cl)C1 ZINC000438853359 387958245 /nfs/dbraw/zinc/95/82/45/387958245.db2.gz OXMNZJIZCCEMPP-UHFFFAOYSA-N 1 2 230.138 3.445 20 0 BGADLO CC1C[NH+](Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000438860652 387960805 /nfs/dbraw/zinc/96/08/05/387960805.db2.gz SMKUYSJGXHULKX-UHFFFAOYSA-N 1 2 247.235 3.296 20 0 BGADLO CC1C[NH+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000438861474 385841288 /nfs/dbraw/zinc/84/12/88/385841288.db2.gz ULAFMVAWJQAQMW-UHFFFAOYSA-N 1 2 247.235 3.296 20 0 BGADLO Cc1ccc(C)c([N@@H+](CC[C@H](C)O)C(C)C)c1 ZINC000438968165 387967924 /nfs/dbraw/zinc/96/79/24/387967924.db2.gz BOXPIDCSMWQGKC-AWEZNQCLSA-N 1 2 235.371 3.289 20 0 BGADLO Cc1ccc(C)c([N@H+](CC[C@H](C)O)C(C)C)c1 ZINC000438968165 387967919 /nfs/dbraw/zinc/96/79/19/387967919.db2.gz BOXPIDCSMWQGKC-AWEZNQCLSA-N 1 2 235.371 3.289 20 0 BGADLO Cc1ccc(C)c([N@@H+](CC[C@@H](C)O)C(C)C)c1 ZINC000438968180 387967159 /nfs/dbraw/zinc/96/71/59/387967159.db2.gz BOXPIDCSMWQGKC-CQSZACIVSA-N 1 2 235.371 3.289 20 0 BGADLO Cc1ccc(C)c([N@H+](CC[C@@H](C)O)C(C)C)c1 ZINC000438968180 387967155 /nfs/dbraw/zinc/96/71/55/387967155.db2.gz BOXPIDCSMWQGKC-CQSZACIVSA-N 1 2 235.371 3.289 20 0 BGADLO C[C@@H](O)CC[N@@H+](CC1CCC1)c1ccccc1 ZINC000438983281 387971270 /nfs/dbraw/zinc/97/12/70/387971270.db2.gz HBTYTQMOEKAJMZ-CYBMUJFWSA-N 1 2 233.355 3.064 20 0 BGADLO C[C@@H](O)CC[N@H+](CC1CCC1)c1ccccc1 ZINC000438983281 387971265 /nfs/dbraw/zinc/97/12/65/387971265.db2.gz HBTYTQMOEKAJMZ-CYBMUJFWSA-N 1 2 233.355 3.064 20 0 BGADLO C[C@H](O)CC[N@@H+](CC1CCC1)c1ccccc1 ZINC000438983283 387971254 /nfs/dbraw/zinc/97/12/54/387971254.db2.gz HBTYTQMOEKAJMZ-ZDUSSCGKSA-N 1 2 233.355 3.064 20 0 BGADLO C[C@H](O)CC[N@H+](CC1CCC1)c1ccccc1 ZINC000438983283 387971250 /nfs/dbraw/zinc/97/12/50/387971250.db2.gz HBTYTQMOEKAJMZ-ZDUSSCGKSA-N 1 2 233.355 3.064 20 0 BGADLO Cc1cc(OCc2c[nH+]cn2C)ccc1C(C)C ZINC000439553421 388009158 /nfs/dbraw/zinc/00/91/58/388009158.db2.gz VPPCKJXPJNTREQ-UHFFFAOYSA-N 1 2 244.338 3.431 20 0 BGADLO Cn1c[nH+]cc1COc1ccc2ccccc2c1 ZINC000439554416 388010260 /nfs/dbraw/zinc/01/02/60/388010260.db2.gz YQZIHNWKZIUTQY-UHFFFAOYSA-N 1 2 238.290 3.152 20 0 BGADLO Cc1cc(N(C)[C@H](C)C2(C)CC2)nc(C2CC2)[nH+]1 ZINC000439593593 388009031 /nfs/dbraw/zinc/00/90/31/388009031.db2.gz JFHPCTFJMMPLOF-LLVKDONJSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N(C)[C@@H](C)C2(C)CC2)nc(C2CC2)[nH+]1 ZINC000439593594 388009971 /nfs/dbraw/zinc/00/99/71/388009971.db2.gz JFHPCTFJMMPLOF-NSHDSACASA-N 1 2 245.370 3.287 20 0 BGADLO Fc1cccc(Sc2[nH+]cnc3[nH]ccc32)c1 ZINC000439601407 388011549 /nfs/dbraw/zinc/01/15/49/388011549.db2.gz AHMBWBUQMVGDIY-UHFFFAOYSA-N 1 2 245.282 3.248 20 0 BGADLO Cc1cc(C)c2c(c1)[N@H+](CCCCCO)CCC2 ZINC000439803315 388020959 /nfs/dbraw/zinc/02/09/59/388020959.db2.gz XBYHUSKYIZLQBX-UHFFFAOYSA-N 1 2 247.382 3.219 20 0 BGADLO Cc1cc(C)c2c(c1)[N@@H+](CCCCCO)CCC2 ZINC000439803315 388020954 /nfs/dbraw/zinc/02/09/54/388020954.db2.gz XBYHUSKYIZLQBX-UHFFFAOYSA-N 1 2 247.382 3.219 20 0 BGADLO Cc1cccc([N@H+](CC2(C)COC2)C(C)C)c1 ZINC000439913693 388025663 /nfs/dbraw/zinc/02/56/63/388025663.db2.gz MGODGTMEHDTKDL-UHFFFAOYSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cccc([N@@H+](CC2(C)COC2)C(C)C)c1 ZINC000439913693 388025658 /nfs/dbraw/zinc/02/56/58/388025658.db2.gz MGODGTMEHDTKDL-UHFFFAOYSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@H+](CC1(C)COC1)C(C)C ZINC000440024561 388028926 /nfs/dbraw/zinc/02/89/26/388028926.db2.gz UIUHRRWTKOFSDP-UHFFFAOYSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@@H+](CC1(C)COC1)C(C)C ZINC000440024561 388028921 /nfs/dbraw/zinc/02/89/21/388028921.db2.gz UIUHRRWTKOFSDP-UHFFFAOYSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@H+](CCCCCO)C(C)C ZINC000440028154 388028491 /nfs/dbraw/zinc/02/84/91/388028491.db2.gz PMWMSLOTJMUZRA-UHFFFAOYSA-N 1 2 235.371 3.372 20 0 BGADLO Cc1ccccc1[N@@H+](CCCCCO)C(C)C ZINC000440028154 388028485 /nfs/dbraw/zinc/02/84/85/388028485.db2.gz PMWMSLOTJMUZRA-UHFFFAOYSA-N 1 2 235.371 3.372 20 0 BGADLO CC1(C[N@H+](c2ccccc2)C2CCCC2)COC1 ZINC000440319741 388038229 /nfs/dbraw/zinc/03/82/29/388038229.db2.gz IVANBMROXUBITP-UHFFFAOYSA-N 1 2 245.366 3.472 20 0 BGADLO CC1(C[N@@H+](c2ccccc2)C2CCCC2)COC1 ZINC000440319741 388038227 /nfs/dbraw/zinc/03/82/27/388038227.db2.gz IVANBMROXUBITP-UHFFFAOYSA-N 1 2 245.366 3.472 20 0 BGADLO Cc1ccccc1CCC[N@H+](C)CC(F)F ZINC000440337658 388039438 /nfs/dbraw/zinc/03/94/38/388039438.db2.gz YUVSCHWADFFDDU-UHFFFAOYSA-N 1 2 227.298 3.125 20 0 BGADLO Cc1ccccc1CCC[N@@H+](C)CC(F)F ZINC000440337658 388039434 /nfs/dbraw/zinc/03/94/34/388039434.db2.gz YUVSCHWADFFDDU-UHFFFAOYSA-N 1 2 227.298 3.125 20 0 BGADLO CC[C@H](F)C[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000440486555 386743163 /nfs/dbraw/zinc/74/31/63/386743163.db2.gz AAHADOWBLFDIME-CMPLNLGQSA-N 1 2 242.363 3.337 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000440486555 386743155 /nfs/dbraw/zinc/74/31/55/386743155.db2.gz AAHADOWBLFDIME-CMPLNLGQSA-N 1 2 242.363 3.337 20 0 BGADLO CC[C@H](F)C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000440486567 386740786 /nfs/dbraw/zinc/74/07/86/386740786.db2.gz AAHADOWBLFDIME-JQWIXIFHSA-N 1 2 242.363 3.337 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000440486567 386740780 /nfs/dbraw/zinc/74/07/80/386740780.db2.gz AAHADOWBLFDIME-JQWIXIFHSA-N 1 2 242.363 3.337 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000440486569 386741541 /nfs/dbraw/zinc/74/15/41/386741541.db2.gz AAHADOWBLFDIME-PWSUYJOCSA-N 1 2 242.363 3.337 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000440486569 386741535 /nfs/dbraw/zinc/74/15/35/386741535.db2.gz AAHADOWBLFDIME-PWSUYJOCSA-N 1 2 242.363 3.337 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000440486570 386741582 /nfs/dbraw/zinc/74/15/82/386741582.db2.gz AAHADOWBLFDIME-ZYHUDNBSSA-N 1 2 242.363 3.337 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000440486570 386741573 /nfs/dbraw/zinc/74/15/73/386741573.db2.gz AAHADOWBLFDIME-ZYHUDNBSSA-N 1 2 242.363 3.337 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000440498749 206078128 /nfs/dbraw/zinc/07/81/28/206078128.db2.gz KWIULNFNZPUQOY-CYBMUJFWSA-N 1 2 241.737 3.446 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000440498749 206078124 /nfs/dbraw/zinc/07/81/24/206078124.db2.gz KWIULNFNZPUQOY-CYBMUJFWSA-N 1 2 241.737 3.446 20 0 BGADLO CC[C@H](F)C[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000440498750 206078148 /nfs/dbraw/zinc/07/81/48/206078148.db2.gz KWIULNFNZPUQOY-ZDUSSCGKSA-N 1 2 241.737 3.446 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000440498750 206078143 /nfs/dbraw/zinc/07/81/43/206078143.db2.gz KWIULNFNZPUQOY-ZDUSSCGKSA-N 1 2 241.737 3.446 20 0 BGADLO CC[C@@H](F)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000440510516 388048483 /nfs/dbraw/zinc/04/84/83/388048483.db2.gz KIWIRRDWXSMVLR-SECBINFHSA-N 1 2 249.251 3.284 20 0 BGADLO CC[C@@H](F)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000440510516 388048481 /nfs/dbraw/zinc/04/84/81/388048481.db2.gz KIWIRRDWXSMVLR-SECBINFHSA-N 1 2 249.251 3.284 20 0 BGADLO CC[C@H](F)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000440510517 388049363 /nfs/dbraw/zinc/04/93/63/388049363.db2.gz KIWIRRDWXSMVLR-VIFPVBQESA-N 1 2 249.251 3.284 20 0 BGADLO CC[C@H](F)C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000440510517 388049358 /nfs/dbraw/zinc/04/93/58/388049358.db2.gz KIWIRRDWXSMVLR-VIFPVBQESA-N 1 2 249.251 3.284 20 0 BGADLO CC[C@@H](F)C[N@@H+](C)Cc1cc(C)ccc1F ZINC000440524414 397929564 /nfs/dbraw/zinc/92/95/64/397929564.db2.gz SMXRZMKDBJREAW-GFCCVEGCSA-N 1 2 227.298 3.314 20 0 BGADLO CC[C@@H](F)C[N@H+](C)Cc1cc(C)ccc1F ZINC000440524414 397929560 /nfs/dbraw/zinc/92/95/60/397929560.db2.gz SMXRZMKDBJREAW-GFCCVEGCSA-N 1 2 227.298 3.314 20 0 BGADLO CC[C@H](F)C[N@@H+](C)Cc1cc(C)ccc1F ZINC000440524415 397930245 /nfs/dbraw/zinc/93/02/45/397930245.db2.gz SMXRZMKDBJREAW-LBPRGKRZSA-N 1 2 227.298 3.314 20 0 BGADLO CC[C@H](F)C[N@H+](C)Cc1cc(C)ccc1F ZINC000440524415 397930242 /nfs/dbraw/zinc/93/02/42/397930242.db2.gz SMXRZMKDBJREAW-LBPRGKRZSA-N 1 2 227.298 3.314 20 0 BGADLO c1cc2cc(CCNc3cccc[nH+]3)ccc2[nH]1 ZINC000440551859 388054906 /nfs/dbraw/zinc/05/49/06/388054906.db2.gz VLRRETIZKPDQKS-UHFFFAOYSA-N 1 2 237.306 3.218 20 0 BGADLO CC[C@@H](F)CSc1[nH+]cc2ccccn21 ZINC000440570119 388056068 /nfs/dbraw/zinc/05/60/68/388056068.db2.gz QKMUPHOQCDLUII-SECBINFHSA-N 1 2 224.304 3.175 20 0 BGADLO CC[C@H](F)CSc1[nH+]cc2ccccn21 ZINC000440570121 388056122 /nfs/dbraw/zinc/05/61/22/388056122.db2.gz QKMUPHOQCDLUII-VIFPVBQESA-N 1 2 224.304 3.175 20 0 BGADLO CC[C@@H](F)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000440575467 388055970 /nfs/dbraw/zinc/05/59/70/388055970.db2.gz NZZFKDXRINHAHA-SSDOTTSWSA-N 1 2 228.217 3.063 20 0 BGADLO CC[C@H](F)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000440575469 388056156 /nfs/dbraw/zinc/05/61/56/388056156.db2.gz NZZFKDXRINHAHA-ZETCQYMHSA-N 1 2 228.217 3.063 20 0 BGADLO CC[C@@H](F)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000440603574 388061343 /nfs/dbraw/zinc/06/13/43/388061343.db2.gz PXEBLAUDLPBHKF-LLVKDONJSA-N 1 2 220.291 3.401 20 0 BGADLO CC[C@H](F)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000440603575 388060816 /nfs/dbraw/zinc/06/08/16/388060816.db2.gz PXEBLAUDLPBHKF-NSHDSACASA-N 1 2 220.291 3.401 20 0 BGADLO CCN(Cc1[nH+]ccn1C)c1ccccc1Cl ZINC000440619859 388063261 /nfs/dbraw/zinc/06/32/61/388063261.db2.gz CPFFSUWYKITIFP-UHFFFAOYSA-N 1 2 249.745 3.100 20 0 BGADLO CC[C@H](C)Nc1cc[nH+]c2c(OC)cccc12 ZINC000440675275 388064803 /nfs/dbraw/zinc/06/48/03/388064803.db2.gz HHERXYASYYJMLJ-JTQLQIEISA-N 1 2 230.311 3.454 20 0 BGADLO CC[C@@H](C)Nc1cc[nH+]c2c(OC)cccc12 ZINC000440675277 388065367 /nfs/dbraw/zinc/06/53/67/388065367.db2.gz HHERXYASYYJMLJ-SNVBAGLBSA-N 1 2 230.311 3.454 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000440689057 388066873 /nfs/dbraw/zinc/06/68/73/388066873.db2.gz AZPNJCVYFPTIJX-GHMZBOCLSA-N 1 2 242.363 3.418 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000440689057 388066868 /nfs/dbraw/zinc/06/68/68/388066868.db2.gz AZPNJCVYFPTIJX-GHMZBOCLSA-N 1 2 242.363 3.418 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000440689059 388066296 /nfs/dbraw/zinc/06/62/96/388066296.db2.gz AZPNJCVYFPTIJX-MNOVXSKESA-N 1 2 242.363 3.418 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000440689059 388066294 /nfs/dbraw/zinc/06/62/94/388066294.db2.gz AZPNJCVYFPTIJX-MNOVXSKESA-N 1 2 242.363 3.418 20 0 BGADLO CC[C@H](F)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000440689060 388065034 /nfs/dbraw/zinc/06/50/34/388065034.db2.gz AZPNJCVYFPTIJX-QWRGUYRKSA-N 1 2 242.363 3.418 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000440689060 388065031 /nfs/dbraw/zinc/06/50/31/388065031.db2.gz AZPNJCVYFPTIJX-QWRGUYRKSA-N 1 2 242.363 3.418 20 0 BGADLO CC[C@H](F)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000440689063 388065418 /nfs/dbraw/zinc/06/54/18/388065418.db2.gz AZPNJCVYFPTIJX-WDEREUQCSA-N 1 2 242.363 3.418 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000440689063 388065413 /nfs/dbraw/zinc/06/54/13/388065413.db2.gz AZPNJCVYFPTIJX-WDEREUQCSA-N 1 2 242.363 3.418 20 0 BGADLO CC[C@@H](F)C[N@@H+](C)Cc1ccccc1F ZINC000440698487 388069087 /nfs/dbraw/zinc/06/90/87/388069087.db2.gz ZBRBAZRXWHVFNA-LLVKDONJSA-N 1 2 213.271 3.006 20 0 BGADLO CC[C@@H](F)C[N@H+](C)Cc1ccccc1F ZINC000440698487 388069084 /nfs/dbraw/zinc/06/90/84/388069084.db2.gz ZBRBAZRXWHVFNA-LLVKDONJSA-N 1 2 213.271 3.006 20 0 BGADLO CC[C@H](F)C[N@@H+](C)Cc1ccccc1F ZINC000440698490 206079633 /nfs/dbraw/zinc/07/96/33/206079633.db2.gz ZBRBAZRXWHVFNA-NSHDSACASA-N 1 2 213.271 3.006 20 0 BGADLO CC[C@H](F)C[N@H+](C)Cc1ccccc1F ZINC000440698490 206079629 /nfs/dbraw/zinc/07/96/29/206079629.db2.gz ZBRBAZRXWHVFNA-NSHDSACASA-N 1 2 213.271 3.006 20 0 BGADLO CC[C@H](F)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000440703046 386095495 /nfs/dbraw/zinc/09/54/95/386095495.db2.gz GNORYQYLVGWVOE-JTQLQIEISA-N 1 2 231.261 3.145 20 0 BGADLO CC[C@H](F)C[N@H+](C)Cc1ccc(F)cc1F ZINC000440703046 386095490 /nfs/dbraw/zinc/09/54/90/386095490.db2.gz GNORYQYLVGWVOE-JTQLQIEISA-N 1 2 231.261 3.145 20 0 BGADLO CC[C@@H](F)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000440703048 386095099 /nfs/dbraw/zinc/09/50/99/386095099.db2.gz GNORYQYLVGWVOE-SNVBAGLBSA-N 1 2 231.261 3.145 20 0 BGADLO CC[C@@H](F)C[N@H+](C)Cc1ccc(F)cc1F ZINC000440703048 386095095 /nfs/dbraw/zinc/09/50/95/386095095.db2.gz GNORYQYLVGWVOE-SNVBAGLBSA-N 1 2 231.261 3.145 20 0 BGADLO OCCCCC[N@H+]1CCCCCc2ccccc21 ZINC000440745421 387684395 /nfs/dbraw/zinc/68/43/95/387684395.db2.gz HYTNAYHHQASXNV-UHFFFAOYSA-N 1 2 247.382 3.382 20 0 BGADLO OCCCCC[N@@H+]1CCCCCc2ccccc21 ZINC000440745421 387684388 /nfs/dbraw/zinc/68/43/88/387684388.db2.gz HYTNAYHHQASXNV-UHFFFAOYSA-N 1 2 247.382 3.382 20 0 BGADLO CC1(C[N@H+]2CCCCCc3ccccc32)COC1 ZINC000440747583 387684560 /nfs/dbraw/zinc/68/45/60/387684560.db2.gz LVVPCLODIRTMCQ-UHFFFAOYSA-N 1 2 245.366 3.256 20 0 BGADLO CC1(C[N@@H+]2CCCCCc3ccccc32)COC1 ZINC000440747583 387684557 /nfs/dbraw/zinc/68/45/57/387684557.db2.gz LVVPCLODIRTMCQ-UHFFFAOYSA-N 1 2 245.366 3.256 20 0 BGADLO COCCC[N@H+]1CCCCCc2ccccc21 ZINC000440751511 387686146 /nfs/dbraw/zinc/68/61/46/387686146.db2.gz GYHVPORDYSKPDF-UHFFFAOYSA-N 1 2 233.355 3.256 20 0 BGADLO COCCC[N@@H+]1CCCCCc2ccccc21 ZINC000440751511 387686140 /nfs/dbraw/zinc/68/61/40/387686140.db2.gz GYHVPORDYSKPDF-UHFFFAOYSA-N 1 2 233.355 3.256 20 0 BGADLO CC[C@H](F)C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000440764191 387687628 /nfs/dbraw/zinc/68/76/28/387687628.db2.gz LTBLVRULCAVJBZ-JTQLQIEISA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000440764191 387687625 /nfs/dbraw/zinc/68/76/25/387687625.db2.gz LTBLVRULCAVJBZ-JTQLQIEISA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000440764193 387686925 /nfs/dbraw/zinc/68/69/25/387686925.db2.gz LTBLVRULCAVJBZ-SNVBAGLBSA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000440764193 387686922 /nfs/dbraw/zinc/68/69/22/387686922.db2.gz LTBLVRULCAVJBZ-SNVBAGLBSA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000440767704 387686605 /nfs/dbraw/zinc/68/66/05/387686605.db2.gz VZMDFRKMGYUJBH-LLVKDONJSA-N 1 2 246.329 3.274 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000440767704 387686602 /nfs/dbraw/zinc/68/66/02/387686602.db2.gz VZMDFRKMGYUJBH-LLVKDONJSA-N 1 2 246.329 3.274 20 0 BGADLO CC[C@H](F)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000440767706 387688323 /nfs/dbraw/zinc/68/83/23/387688323.db2.gz VZMDFRKMGYUJBH-NSHDSACASA-N 1 2 246.329 3.274 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000440767706 387688319 /nfs/dbraw/zinc/68/83/19/387688319.db2.gz VZMDFRKMGYUJBH-NSHDSACASA-N 1 2 246.329 3.274 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000440777048 387694487 /nfs/dbraw/zinc/69/44/87/387694487.db2.gz DZBBSJMUKPLQKH-SECBINFHSA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000440777048 387694479 /nfs/dbraw/zinc/69/44/79/387694479.db2.gz DZBBSJMUKPLQKH-SECBINFHSA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@H](F)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000440777050 387693711 /nfs/dbraw/zinc/69/37/11/387693711.db2.gz DZBBSJMUKPLQKH-VIFPVBQESA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000440777050 387693709 /nfs/dbraw/zinc/69/37/09/387693709.db2.gz DZBBSJMUKPLQKH-VIFPVBQESA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@H](F)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000440777081 387694394 /nfs/dbraw/zinc/69/43/94/387694394.db2.gz FEBAMZSVSZVWNO-JTQLQIEISA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000440777081 387694389 /nfs/dbraw/zinc/69/43/89/387694389.db2.gz FEBAMZSVSZVWNO-JTQLQIEISA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000440777082 387691795 /nfs/dbraw/zinc/69/17/95/387691795.db2.gz FEBAMZSVSZVWNO-SNVBAGLBSA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000440777082 387691791 /nfs/dbraw/zinc/69/17/91/387691791.db2.gz FEBAMZSVSZVWNO-SNVBAGLBSA-N 1 2 243.272 3.071 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000440778117 387691908 /nfs/dbraw/zinc/69/19/08/387691908.db2.gz ARQUQXNECHRWCI-LLVKDONJSA-N 1 2 246.329 3.274 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000440778117 387691904 /nfs/dbraw/zinc/69/19/04/387691904.db2.gz ARQUQXNECHRWCI-LLVKDONJSA-N 1 2 246.329 3.274 20 0 BGADLO CC[C@H](F)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000440778126 387693164 /nfs/dbraw/zinc/69/31/64/387693164.db2.gz ARQUQXNECHRWCI-NSHDSACASA-N 1 2 246.329 3.274 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000440778126 387693160 /nfs/dbraw/zinc/69/31/60/387693160.db2.gz ARQUQXNECHRWCI-NSHDSACASA-N 1 2 246.329 3.274 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000440785836 387697541 /nfs/dbraw/zinc/69/75/41/387697541.db2.gz LGYLNBAQWVBWFY-CYBMUJFWSA-N 1 2 241.737 3.446 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000440785836 387697539 /nfs/dbraw/zinc/69/75/39/387697539.db2.gz LGYLNBAQWVBWFY-CYBMUJFWSA-N 1 2 241.737 3.446 20 0 BGADLO CC[C@H](F)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000440785837 387696978 /nfs/dbraw/zinc/69/69/78/387696978.db2.gz LGYLNBAQWVBWFY-ZDUSSCGKSA-N 1 2 241.737 3.446 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000440785837 387696966 /nfs/dbraw/zinc/69/69/66/387696966.db2.gz LGYLNBAQWVBWFY-ZDUSSCGKSA-N 1 2 241.737 3.446 20 0 BGADLO CC[C@H](F)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000440786417 387699090 /nfs/dbraw/zinc/69/90/90/387699090.db2.gz ZMGZPNABVSIGEM-JTQLQIEISA-N 1 2 236.290 3.008 20 0 BGADLO CC[C@H](F)C[N@H+](C)Cc1nc2ccccc2o1 ZINC000440786417 387699088 /nfs/dbraw/zinc/69/90/88/387699088.db2.gz ZMGZPNABVSIGEM-JTQLQIEISA-N 1 2 236.290 3.008 20 0 BGADLO CC[C@@H](F)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000440786418 387700731 /nfs/dbraw/zinc/70/07/31/387700731.db2.gz ZMGZPNABVSIGEM-SNVBAGLBSA-N 1 2 236.290 3.008 20 0 BGADLO CC[C@@H](F)C[N@H+](C)Cc1nc2ccccc2o1 ZINC000440786418 387700727 /nfs/dbraw/zinc/70/07/27/387700727.db2.gz ZMGZPNABVSIGEM-SNVBAGLBSA-N 1 2 236.290 3.008 20 0 BGADLO CC[C@@H](F)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000440802809 386166438 /nfs/dbraw/zinc/16/64/38/386166438.db2.gz VCBPBOYDLPLLKF-LLVKDONJSA-N 1 2 241.737 3.446 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000440802809 386166433 /nfs/dbraw/zinc/16/64/33/386166433.db2.gz VCBPBOYDLPLLKF-LLVKDONJSA-N 1 2 241.737 3.446 20 0 BGADLO CC[C@H](F)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000440802810 386165936 /nfs/dbraw/zinc/16/59/36/386165936.db2.gz VCBPBOYDLPLLKF-NSHDSACASA-N 1 2 241.737 3.446 20 0 BGADLO CC[C@H](F)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000440802810 386165924 /nfs/dbraw/zinc/16/59/24/386165924.db2.gz VCBPBOYDLPLLKF-NSHDSACASA-N 1 2 241.737 3.446 20 0 BGADLO Cc1ccc(NC(=O)C2(CC(C)C)CC2)c(C)[nH+]1 ZINC000441079753 387729072 /nfs/dbraw/zinc/72/90/72/387729072.db2.gz NKDFGXZLEYPPOV-UHFFFAOYSA-N 1 2 246.354 3.463 20 0 BGADLO CC[N@@H+](Cc1ncc(C)o1)Cc1cccc(F)c1 ZINC000441188470 387734684 /nfs/dbraw/zinc/73/46/84/387734684.db2.gz KPJGEFUOXCPVGB-UHFFFAOYSA-N 1 2 248.301 3.144 20 0 BGADLO CC[N@H+](Cc1ncc(C)o1)Cc1cccc(F)c1 ZINC000441188470 387734680 /nfs/dbraw/zinc/73/46/80/387734680.db2.gz KPJGEFUOXCPVGB-UHFFFAOYSA-N 1 2 248.301 3.144 20 0 BGADLO CCC(C)(C)CC[N@@H+](CCOC)CC(F)F ZINC000441501394 387764168 /nfs/dbraw/zinc/76/41/68/387764168.db2.gz DIRHQQLSDYJEGU-UHFFFAOYSA-N 1 2 237.334 3.026 20 0 BGADLO CCC(C)(C)CC[N@H+](CCOC)CC(F)F ZINC000441501394 387764164 /nfs/dbraw/zinc/76/41/64/387764164.db2.gz DIRHQQLSDYJEGU-UHFFFAOYSA-N 1 2 237.334 3.026 20 0 BGADLO CCc1[nH+]c(C)ccc1OC[C@@H](F)CC ZINC000441815257 387778596 /nfs/dbraw/zinc/77/85/96/387778596.db2.gz OWSSPQTXRANYPY-JTQLQIEISA-N 1 2 211.280 3.079 20 0 BGADLO CCc1[nH+]c(C)ccc1OC[C@H](F)CC ZINC000441815259 387777590 /nfs/dbraw/zinc/77/75/90/387777590.db2.gz OWSSPQTXRANYPY-SNVBAGLBSA-N 1 2 211.280 3.079 20 0 BGADLO CC[C@H](F)COc1cc[nH+]c2cc(OC)ccc21 ZINC000441823876 387779855 /nfs/dbraw/zinc/77/98/55/387779855.db2.gz MMQNNEWSAXKVEZ-JTQLQIEISA-N 1 2 249.285 3.370 20 0 BGADLO CC[C@@H](F)COc1cc[nH+]c2cc(OC)ccc21 ZINC000441823878 387780116 /nfs/dbraw/zinc/78/01/16/387780116.db2.gz MMQNNEWSAXKVEZ-SNVBAGLBSA-N 1 2 249.285 3.370 20 0 BGADLO CC[C@H](F)CSCc1cc(OC)cc(C)[nH+]1 ZINC000442537582 387803228 /nfs/dbraw/zinc/80/32/28/387803228.db2.gz BWJCOBYWEULBQA-JTQLQIEISA-N 1 2 243.347 3.380 20 0 BGADLO CC[C@@H](F)CSCc1cc(OC)cc(C)[nH+]1 ZINC000442537583 387803067 /nfs/dbraw/zinc/80/30/67/387803067.db2.gz BWJCOBYWEULBQA-SNVBAGLBSA-N 1 2 243.347 3.380 20 0 BGADLO CC[C@H](F)CSCc1[nH+]ccn1C(C)C ZINC000442543513 387802893 /nfs/dbraw/zinc/80/28/93/387802893.db2.gz NCIILZAKTCKWKQ-JTQLQIEISA-N 1 2 230.352 3.445 20 0 BGADLO CC[C@@H](F)CSCc1[nH+]ccn1C(C)C ZINC000442543515 387803168 /nfs/dbraw/zinc/80/31/68/387803168.db2.gz NCIILZAKTCKWKQ-SNVBAGLBSA-N 1 2 230.352 3.445 20 0 BGADLO CC[C@H](F)CSCc1cn2ccccc2[nH+]1 ZINC000442547397 387804201 /nfs/dbraw/zinc/80/42/01/387804201.db2.gz RUAYZGBVMCUJLW-JTQLQIEISA-N 1 2 238.331 3.316 20 0 BGADLO CC[C@@H](F)CSCc1cn2ccccc2[nH+]1 ZINC000442547400 387804117 /nfs/dbraw/zinc/80/41/17/387804117.db2.gz RUAYZGBVMCUJLW-SNVBAGLBSA-N 1 2 238.331 3.316 20 0 BGADLO CCCOc1cc(C)ccc1[NH2+]CCC1(O)CC1 ZINC000442861602 387852890 /nfs/dbraw/zinc/85/28/90/387852890.db2.gz UNCQDEMDSLXDFS-UHFFFAOYSA-N 1 2 249.354 3.111 20 0 BGADLO CCn1cc[nH+]c1CNc1ccc2ccoc2c1 ZINC000442879406 398295155 /nfs/dbraw/zinc/29/51/55/398295155.db2.gz VRSHVSJWXLAFFU-UHFFFAOYSA-N 1 2 241.294 3.261 20 0 BGADLO CCc1c[nH+]ccc1[C@H](C)[C@H](C)Cn1cccn1 ZINC000443091096 193013887 /nfs/dbraw/zinc/01/38/87/193013887.db2.gz GYPBDISFRCOXGS-CHWSQXEVSA-N 1 2 243.354 3.280 20 0 BGADLO CCc1c[nH+]ccc1[C@@H](C)[C@H](C)Cn1cccn1 ZINC000443091098 193013458 /nfs/dbraw/zinc/01/34/58/193013458.db2.gz GYPBDISFRCOXGS-OLZOCXBDSA-N 1 2 243.354 3.280 20 0 BGADLO CCc1c[nH+]ccc1[C@H](C)[C@@H](C)Cn1cccn1 ZINC000443091100 193013657 /nfs/dbraw/zinc/01/36/57/193013657.db2.gz GYPBDISFRCOXGS-QWHCGFSZSA-N 1 2 243.354 3.280 20 0 BGADLO CCc1c[nH+]ccc1[C@@H](C)[C@@H](C)Cn1cccn1 ZINC000443091102 398328250 /nfs/dbraw/zinc/32/82/50/398328250.db2.gz GYPBDISFRCOXGS-STQMWFEESA-N 1 2 243.354 3.280 20 0 BGADLO CCCCOc1cc[nH+]c2cc(OC)ccc21 ZINC000443357330 193019992 /nfs/dbraw/zinc/01/99/92/193019992.db2.gz FPIZXTOFYOHIEF-UHFFFAOYSA-N 1 2 231.295 3.422 20 0 BGADLO CCCCOc1cccc(-n2cc[nH+]c2)c1 ZINC000443372704 193019001 /nfs/dbraw/zinc/01/90/01/193019001.db2.gz VHMUEIBVTSKSSV-UHFFFAOYSA-N 1 2 216.284 3.051 20 0 BGADLO C[C@H]1CCCCN1c1[nH+]c2cccc(F)c2n1C ZINC000443410508 193018921 /nfs/dbraw/zinc/01/89/21/193018921.db2.gz AUAFUHPPTXVRLW-JTQLQIEISA-N 1 2 247.317 3.091 20 0 BGADLO C[C@@H]1CCCCN1c1[nH+]c2cccc(F)c2n1C ZINC000443410509 193019425 /nfs/dbraw/zinc/01/94/25/193019425.db2.gz AUAFUHPPTXVRLW-SNVBAGLBSA-N 1 2 247.317 3.091 20 0 BGADLO Cn1c2c(cccc2F)[nH+]c1N1CCCCCC1 ZINC000443413161 193020671 /nfs/dbraw/zinc/02/06/71/193020671.db2.gz LUXQEUWYOOTCRY-UHFFFAOYSA-N 1 2 247.317 3.093 20 0 BGADLO CC(C)[C@H](C)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000443435398 193020596 /nfs/dbraw/zinc/02/05/96/193020596.db2.gz XPFITIKLQVYQJQ-JTQLQIEISA-N 1 2 217.316 3.044 20 0 BGADLO CC(C)[C@@H](C)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000443435399 193021478 /nfs/dbraw/zinc/02/14/78/193021478.db2.gz XPFITIKLQVYQJQ-SNVBAGLBSA-N 1 2 217.316 3.044 20 0 BGADLO CC(C)[C@@H](C)N(C)c1[nH+]c2ccccc2n1C ZINC000443437624 193020217 /nfs/dbraw/zinc/02/02/17/193020217.db2.gz MSNDFCUQCZAFCF-LLVKDONJSA-N 1 2 231.343 3.054 20 0 BGADLO CC(C)[C@H](C)N(C)c1[nH+]c2ccccc2n1C ZINC000443437627 193021169 /nfs/dbraw/zinc/02/11/69/193021169.db2.gz MSNDFCUQCZAFCF-NSHDSACASA-N 1 2 231.343 3.054 20 0 BGADLO COc1cccc(C[C@@H](C)Nc2cccc[nH+]2)c1 ZINC000443447505 193021047 /nfs/dbraw/zinc/02/10/47/193021047.db2.gz WPCLAKVVJXYHEF-GFCCVEGCSA-N 1 2 242.322 3.133 20 0 BGADLO COc1cccc(C[C@H](C)Nc2cccc[nH+]2)c1 ZINC000443447506 193021262 /nfs/dbraw/zinc/02/12/62/193021262.db2.gz WPCLAKVVJXYHEF-LBPRGKRZSA-N 1 2 242.322 3.133 20 0 BGADLO CC(C)[C@@H](C)N(C)c1cc[nH+]c2ccncc21 ZINC000443449816 193020172 /nfs/dbraw/zinc/02/01/72/193020172.db2.gz WIKBKEAROJWSES-LLVKDONJSA-N 1 2 229.327 3.111 20 0 BGADLO CC(C)[C@H](C)N(C)c1cc[nH+]c2ccncc21 ZINC000443449818 193020947 /nfs/dbraw/zinc/02/09/47/193020947.db2.gz WIKBKEAROJWSES-NSHDSACASA-N 1 2 229.327 3.111 20 0 BGADLO CN(CC(C)(C)C)c1[nH+]c2cccc(F)c2n1C ZINC000443509181 193021877 /nfs/dbraw/zinc/02/18/77/193021877.db2.gz KKUPHEMJAYFLQV-UHFFFAOYSA-N 1 2 249.333 3.195 20 0 BGADLO CCC[C@H](C)N(C)c1[nH+]c2cccc(F)c2n1C ZINC000443514107 193023644 /nfs/dbraw/zinc/02/36/44/193023644.db2.gz XHPDFJHAOLVDDP-JTQLQIEISA-N 1 2 249.333 3.337 20 0 BGADLO CCC[C@@H](C)N(C)c1[nH+]c2cccc(F)c2n1C ZINC000443514110 193023639 /nfs/dbraw/zinc/02/36/39/193023639.db2.gz XHPDFJHAOLVDDP-SNVBAGLBSA-N 1 2 249.333 3.337 20 0 BGADLO CC(C)[C@H](C)N(C)c1[nH+]c2cccc(F)c2n1C ZINC000443523876 193024077 /nfs/dbraw/zinc/02/40/77/193024077.db2.gz ROSAGYISYXWRRR-JTQLQIEISA-N 1 2 249.333 3.193 20 0 BGADLO CC(C)[C@@H](C)N(C)c1[nH+]c2cccc(F)c2n1C ZINC000443523877 193023427 /nfs/dbraw/zinc/02/34/27/193023427.db2.gz ROSAGYISYXWRRR-SNVBAGLBSA-N 1 2 249.333 3.193 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccccc2)c(C)s1 ZINC000443676938 193028466 /nfs/dbraw/zinc/02/84/66/193028466.db2.gz XRVWWMHUKHOXCG-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccccc2)c(C)s1 ZINC000443676938 193028464 /nfs/dbraw/zinc/02/84/64/193028464.db2.gz XRVWWMHUKHOXCG-UHFFFAOYSA-N 1 2 246.379 3.392 20 0 BGADLO CC(C)c1nc(N2CC[C@@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000443876973 193031079 /nfs/dbraw/zinc/03/10/79/193031079.db2.gz IDOMFMQHOBPZRI-CHWSQXEVSA-N 1 2 247.386 3.472 20 0 BGADLO CC(C)c1nc(N2CC[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000443876975 193030603 /nfs/dbraw/zinc/03/06/03/193030603.db2.gz IDOMFMQHOBPZRI-OLZOCXBDSA-N 1 2 247.386 3.472 20 0 BGADLO CC(C)c1nc(N2CC[C@H](C)C[C@@H](C)C2)cc[nH+]1 ZINC000443876976 193031062 /nfs/dbraw/zinc/03/10/62/193031062.db2.gz IDOMFMQHOBPZRI-QWHCGFSZSA-N 1 2 247.386 3.472 20 0 BGADLO CC(C)c1nc(N2CC[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC000443876977 193030003 /nfs/dbraw/zinc/03/00/03/193030003.db2.gz IDOMFMQHOBPZRI-STQMWFEESA-N 1 2 247.386 3.472 20 0 BGADLO CCC(CC)CN(CC)c1cc[nH+]c(C)n1 ZINC000443891694 193032176 /nfs/dbraw/zinc/03/21/76/193032176.db2.gz LCGDNQMHAWWZIW-UHFFFAOYSA-N 1 2 221.348 3.048 20 0 BGADLO CC(C)c1nc(NCC2(C3CC3)CCC2)cc[nH+]1 ZINC000443893745 193031665 /nfs/dbraw/zinc/03/16/65/193031665.db2.gz FGJQXLRUDACJKL-UHFFFAOYSA-N 1 2 245.370 3.014 20 0 BGADLO Cc1cc(N2CCCC23CCC3)nc(C(C)C)[nH+]1 ZINC000443962544 323034054 /nfs/dbraw/zinc/03/40/54/323034054.db2.gz SRZOBEXWEQBVRZ-UHFFFAOYSA-N 1 2 245.370 3.431 20 0 BGADLO Cc1nc(N2CCC[C@H](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000443992745 387881300 /nfs/dbraw/zinc/88/13/00/387881300.db2.gz ZYDYZJFOCUCGFN-AWEZNQCLSA-N 1 2 247.386 3.274 20 0 BGADLO Cc1nc(N2CCC[C@@H](C(C)C)C2)c(C)c(C)[nH+]1 ZINC000443992750 387881978 /nfs/dbraw/zinc/88/19/78/387881978.db2.gz ZYDYZJFOCUCGFN-CQSZACIVSA-N 1 2 247.386 3.274 20 0 BGADLO CCC1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000444080391 191110885 /nfs/dbraw/zinc/11/08/85/191110885.db2.gz AAAZXQZYWXBKQV-UHFFFAOYSA-N 1 2 241.338 3.256 20 0 BGADLO C[C@H]1CC[C@H](Nc2cc[nH+]c3ccncc23)CC1 ZINC000444081028 193034267 /nfs/dbraw/zinc/03/42/67/193034267.db2.gz SLKRUCAJNIVGKW-HAQNSBGRSA-N 1 2 241.338 3.042 20 0 BGADLO CN(CC1CCCC1)c1cc[nH+]c2ccncc21 ZINC000444081792 193034600 /nfs/dbraw/zinc/03/46/00/193034600.db2.gz MGLPQXNMVQCEEQ-UHFFFAOYSA-N 1 2 241.338 3.256 20 0 BGADLO c1ccc2c(c1)CN(c1cc[nH+]c3ccncc31)C2 ZINC000444083039 193034852 /nfs/dbraw/zinc/03/48/52/193034852.db2.gz ILNVVALLTFCRCJ-UHFFFAOYSA-N 1 2 247.301 3.150 20 0 BGADLO CC[C@H](Nc1cc[nH+]c2ccncc12)C(C)(C)C ZINC000444086801 193034507 /nfs/dbraw/zinc/03/45/07/193034507.db2.gz GHMILTSMOSYMJC-AWEZNQCLSA-N 1 2 243.354 3.288 20 0 BGADLO CC[C@@H](Nc1cc[nH+]c2ccncc12)C(C)(C)C ZINC000444086804 193034553 /nfs/dbraw/zinc/03/45/53/193034553.db2.gz GHMILTSMOSYMJC-CQSZACIVSA-N 1 2 243.354 3.288 20 0 BGADLO CC1(C)CCC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000444087759 193034187 /nfs/dbraw/zinc/03/41/87/193034187.db2.gz HYZMGFIQFIVBEC-AWEZNQCLSA-N 1 2 241.338 3.042 20 0 BGADLO CC1(C)CCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000444087760 193034973 /nfs/dbraw/zinc/03/49/73/193034973.db2.gz HYZMGFIQFIVBEC-CQSZACIVSA-N 1 2 241.338 3.042 20 0 BGADLO CCC1(CNc2cc[nH+]c3ccncc23)CCC1 ZINC000444089539 193034212 /nfs/dbraw/zinc/03/42/12/193034212.db2.gz VXNDQKINIKJPSI-UHFFFAOYSA-N 1 2 241.338 3.044 20 0 BGADLO CC1(CNc2cc[nH+]c3ccncc23)CCCC1 ZINC000444091287 193034219 /nfs/dbraw/zinc/03/42/19/193034219.db2.gz OQJWGJGPHCZYRN-UHFFFAOYSA-N 1 2 241.338 3.044 20 0 BGADLO C[C@@H]1CCC[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000444103143 193034000 /nfs/dbraw/zinc/03/40/00/193034000.db2.gz APKDFNNKALNQRI-NEPJUHHUSA-N 1 2 241.338 3.042 20 0 BGADLO C[C@H]1CCC[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000444103145 193034131 /nfs/dbraw/zinc/03/41/31/193034131.db2.gz APKDFNNKALNQRI-NWDGAFQWSA-N 1 2 241.338 3.042 20 0 BGADLO C[C@H]1CCC[C@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000444103151 193034155 /nfs/dbraw/zinc/03/41/55/193034155.db2.gz APKDFNNKALNQRI-RYUDHWBXSA-N 1 2 241.338 3.042 20 0 BGADLO C[C@@H]1CCC[C@@H](Nc2cc[nH+]c3ccncc23)C1 ZINC000444103153 193034905 /nfs/dbraw/zinc/03/49/05/193034905.db2.gz APKDFNNKALNQRI-VXGBXAGGSA-N 1 2 241.338 3.042 20 0 BGADLO c1cc2[nH+]ccc(NCCC3CCCC3)c2cn1 ZINC000444108535 193034409 /nfs/dbraw/zinc/03/44/09/193034409.db2.gz XQLXPQCOUDTZHP-UHFFFAOYSA-N 1 2 241.338 3.044 20 0 BGADLO CCC[C@@H](C)N(C)c1cc[nH+]c2ccncc21 ZINC000444110982 193034422 /nfs/dbraw/zinc/03/44/22/193034422.db2.gz LNONYXWZZRATAW-LLVKDONJSA-N 1 2 229.327 3.255 20 0 BGADLO CCC[C@H](C)N(C)c1cc[nH+]c2ccncc21 ZINC000444110983 193034460 /nfs/dbraw/zinc/03/44/60/193034460.db2.gz LNONYXWZZRATAW-NSHDSACASA-N 1 2 229.327 3.255 20 0 BGADLO CCCCN(CC)c1cc[nH+]c2ccncc21 ZINC000444123408 193035574 /nfs/dbraw/zinc/03/55/74/193035574.db2.gz RVGAJXZNSCQWIN-UHFFFAOYSA-N 1 2 229.327 3.256 20 0 BGADLO CCC[C@@H](CC)Nc1cc[nH+]c2ccncc12 ZINC000444126310 387884379 /nfs/dbraw/zinc/88/43/79/387884379.db2.gz AOZLWACENILFKA-LLVKDONJSA-N 1 2 229.327 3.042 20 0 BGADLO CCC[C@H](CC)Nc1cc[nH+]c2ccncc12 ZINC000444126315 387884526 /nfs/dbraw/zinc/88/45/26/387884526.db2.gz AOZLWACENILFKA-NSHDSACASA-N 1 2 229.327 3.042 20 0 BGADLO Cc1cccc([C@@H](C)[N@@H+](C)Cc2ccon2)c1 ZINC000444230603 193042701 /nfs/dbraw/zinc/04/27/01/193042701.db2.gz ZBJCXJJXYZTHJX-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cccc([C@@H](C)[N@H+](C)Cc2ccon2)c1 ZINC000444230603 193042699 /nfs/dbraw/zinc/04/26/99/193042699.db2.gz ZBJCXJJXYZTHJX-GFCCVEGCSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cccc([C@H](C)[N@@H+](C)Cc2ccon2)c1 ZINC000444230604 193042141 /nfs/dbraw/zinc/04/21/41/193042141.db2.gz ZBJCXJJXYZTHJX-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1cccc([C@H](C)[N@H+](C)Cc2ccon2)c1 ZINC000444230604 193042138 /nfs/dbraw/zinc/04/21/38/193042138.db2.gz ZBJCXJJXYZTHJX-LBPRGKRZSA-N 1 2 230.311 3.176 20 0 BGADLO CCc1ccccc1CC[N@H+]1CCC(F)(F)C1 ZINC000444687396 387908770 /nfs/dbraw/zinc/90/87/70/387908770.db2.gz UXBYEFCNHCYEID-UHFFFAOYSA-N 1 2 239.309 3.133 20 0 BGADLO CCc1ccccc1CC[N@@H+]1CCC(F)(F)C1 ZINC000444687396 387908766 /nfs/dbraw/zinc/90/87/66/387908766.db2.gz UXBYEFCNHCYEID-UHFFFAOYSA-N 1 2 239.309 3.133 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2cc(C)cc(C)c2)o1 ZINC000444702086 387912904 /nfs/dbraw/zinc/91/29/04/387912904.db2.gz HULRXGUZODAAPU-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2cc(C)cc(C)c2)o1 ZINC000444702086 387912900 /nfs/dbraw/zinc/91/29/00/387912900.db2.gz HULRXGUZODAAPU-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2ccc(F)c(C)c2)o1 ZINC000444740182 387919535 /nfs/dbraw/zinc/91/95/35/387919535.db2.gz SSWCNDVZMIPKCL-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2ccc(F)c(C)c2)o1 ZINC000444740182 387919534 /nfs/dbraw/zinc/91/95/34/387919534.db2.gz SSWCNDVZMIPKCL-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1oncc1C[N@H+](C)Cc1cc(C)ccc1F ZINC000444744396 387920526 /nfs/dbraw/zinc/92/05/26/387920526.db2.gz MOYCFWKPPHQGCA-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1oncc1C[N@@H+](C)Cc1cc(C)ccc1F ZINC000444744396 387920518 /nfs/dbraw/zinc/92/05/18/387920518.db2.gz MOYCFWKPPHQGCA-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1cc(N[C@H](CC(F)(F)F)C(C)C)nc[nH+]1 ZINC000445660455 387956463 /nfs/dbraw/zinc/95/64/63/387956463.db2.gz RMSZIJDZEINUBS-SECBINFHSA-N 1 2 247.264 3.174 20 0 BGADLO Cc1cc(N[C@@H](CC(F)(F)F)C(C)C)nc[nH+]1 ZINC000445660456 387955805 /nfs/dbraw/zinc/95/58/05/387955805.db2.gz RMSZIJDZEINUBS-VIFPVBQESA-N 1 2 247.264 3.174 20 0 BGADLO c1ccc(N2CCCC3(CCCC3)C2)[nH+]c1 ZINC000445660883 387956402 /nfs/dbraw/zinc/95/64/02/387956402.db2.gz YDSQXBOHRQNLME-UHFFFAOYSA-N 1 2 216.328 3.242 20 0 BGADLO CC(C)C(C)(C)CNc1cc[nH+]c2ccncc12 ZINC000445662879 206085532 /nfs/dbraw/zinc/08/55/32/206085532.db2.gz DKPKDCIJAJFPMP-UHFFFAOYSA-N 1 2 243.354 3.146 20 0 BGADLO Cc1nc(N[C@H](CC(F)(F)F)C(C)C)cc[nH+]1 ZINC000445663330 206084621 /nfs/dbraw/zinc/08/46/21/206084621.db2.gz XGILWGHHONGPNQ-SECBINFHSA-N 1 2 247.264 3.174 20 0 BGADLO Cc1nc(N[C@@H](CC(F)(F)F)C(C)C)cc[nH+]1 ZINC000445663331 206086355 /nfs/dbraw/zinc/08/63/55/206086355.db2.gz XGILWGHHONGPNQ-VIFPVBQESA-N 1 2 247.264 3.174 20 0 BGADLO CC1(C)CCCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000445663786 206086125 /nfs/dbraw/zinc/08/61/25/206086125.db2.gz IIZGTJZRGWXZCR-UHFFFAOYSA-N 1 2 245.370 3.371 20 0 BGADLO Cc1nc(N2CCCCC(C)(C)C2)c(C)c(C)[nH+]1 ZINC000445667217 206086237 /nfs/dbraw/zinc/08/62/37/206086237.db2.gz QLPDTADZUBDULI-UHFFFAOYSA-N 1 2 247.386 3.418 20 0 BGADLO CC1(C)CCCCN(c2cccc[nH+]2)C1 ZINC000445675890 206085695 /nfs/dbraw/zinc/08/56/95/206085695.db2.gz OFPSHUOSRXJEKB-UHFFFAOYSA-N 1 2 204.317 3.098 20 0 BGADLO Cc1oncc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000445761581 387964230 /nfs/dbraw/zinc/96/42/30/387964230.db2.gz UOYKRXWJPNPKES-JTQLQIEISA-N 1 2 228.295 3.060 20 0 BGADLO Cc1oncc1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000445761581 387964223 /nfs/dbraw/zinc/96/42/23/387964223.db2.gz UOYKRXWJPNPKES-JTQLQIEISA-N 1 2 228.295 3.060 20 0 BGADLO Cc1oncc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000445761582 387964737 /nfs/dbraw/zinc/96/47/37/387964737.db2.gz UOYKRXWJPNPKES-SNVBAGLBSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1oncc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000445761582 387964732 /nfs/dbraw/zinc/96/47/32/387964732.db2.gz UOYKRXWJPNPKES-SNVBAGLBSA-N 1 2 228.295 3.060 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000445813243 387970052 /nfs/dbraw/zinc/97/00/52/387970052.db2.gz FVNWTIVADGCJKR-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000445813243 387970048 /nfs/dbraw/zinc/97/00/48/387970048.db2.gz FVNWTIVADGCJKR-GFCCVEGCSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000445813244 387969997 /nfs/dbraw/zinc/96/99/97/387969997.db2.gz FVNWTIVADGCJKR-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000445813244 387969993 /nfs/dbraw/zinc/96/99/93/387969993.db2.gz FVNWTIVADGCJKR-LBPRGKRZSA-N 1 2 245.700 3.413 20 0 BGADLO Cc1[nH]c2cc(CSc3ncco3)ccc2[nH+]1 ZINC000446069197 387993151 /nfs/dbraw/zinc/99/31/51/387993151.db2.gz DYHIUCHWZMMEPX-UHFFFAOYSA-N 1 2 245.307 3.152 20 0 BGADLO Cc1[nH]c2ccc(CSc3ncco3)cc2[nH+]1 ZINC000446069197 387993147 /nfs/dbraw/zinc/99/31/47/387993147.db2.gz DYHIUCHWZMMEPX-UHFFFAOYSA-N 1 2 245.307 3.152 20 0 BGADLO CCC(C)(C)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000446419622 388019628 /nfs/dbraw/zinc/01/96/28/388019628.db2.gz PGVGUTHPNDVCES-UHFFFAOYSA-N 1 2 234.343 3.463 20 0 BGADLO Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)c(C)[nH+]1 ZINC000446427695 388020721 /nfs/dbraw/zinc/02/07/21/388020721.db2.gz JGYQASGHRRVVSP-UHFFFAOYSA-N 1 2 246.354 3.319 20 0 BGADLO Cc1nc(N(C)C2CCC(C)(C)CC2)cc[nH+]1 ZINC000446834268 201697922 /nfs/dbraw/zinc/69/79/22/201697922.db2.gz JYYSXGBRYHJAMC-UHFFFAOYSA-N 1 2 233.359 3.190 20 0 BGADLO CCC1(CC)CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000446835330 388039831 /nfs/dbraw/zinc/03/98/31/388039831.db2.gz NRNORMFKAGYDMZ-UHFFFAOYSA-N 1 2 245.370 3.371 20 0 BGADLO CCC1(CC)CCN(c2cccc[nH+]2)C1 ZINC000446843189 388042447 /nfs/dbraw/zinc/04/24/47/388042447.db2.gz KQRXFEDWRWLXKE-UHFFFAOYSA-N 1 2 204.317 3.098 20 0 BGADLO C[C@]1(c2ccccc2)CCN(c2cccc[nH+]2)C1 ZINC000446853388 388042722 /nfs/dbraw/zinc/04/27/22/388042722.db2.gz UYALPNJLHNGBJN-INIZCTEOSA-N 1 2 238.334 3.250 20 0 BGADLO C[C@@]1(c2ccccc2)CCN(c2cccc[nH+]2)C1 ZINC000446853389 388041654 /nfs/dbraw/zinc/04/16/54/388041654.db2.gz UYALPNJLHNGBJN-MRXNPFEDSA-N 1 2 238.334 3.250 20 0 BGADLO CCC(CC)[C@@H](CCNc1cccc[nH+]1)OC ZINC000446880221 388042180 /nfs/dbraw/zinc/04/21/80/388042180.db2.gz ZDHGLPCRNMOVSB-CYBMUJFWSA-N 1 2 236.359 3.335 20 0 BGADLO CCC(CC)[C@H](CCNc1cccc[nH+]1)OC ZINC000446880222 388042205 /nfs/dbraw/zinc/04/22/05/388042205.db2.gz ZDHGLPCRNMOVSB-ZDUSSCGKSA-N 1 2 236.359 3.335 20 0 BGADLO CC1(CNc2[nH+]cccc2OC(F)F)CCC1 ZINC000446969039 538562303 /nfs/dbraw/zinc/56/23/03/538562303.db2.gz FDSXYYZKAHEMCX-UHFFFAOYSA-N 1 2 242.269 3.285 20 0 BGADLO CC(C)c1nc(N2CC[C@@H](C(C)C)C2)cc[nH+]1 ZINC000447048666 388049863 /nfs/dbraw/zinc/04/98/63/388049863.db2.gz AHHGIXLYYVIGIV-GFCCVEGCSA-N 1 2 233.359 3.082 20 0 BGADLO CC(C)c1nc(N2CC[C@H](C(C)C)C2)cc[nH+]1 ZINC000447048667 388049315 /nfs/dbraw/zinc/04/93/15/388049315.db2.gz AHHGIXLYYVIGIV-LBPRGKRZSA-N 1 2 233.359 3.082 20 0 BGADLO Cc1cc(N2CC[C@@H](C(C)C)C2)nc(C2CC2)[nH+]1 ZINC000447049515 388050590 /nfs/dbraw/zinc/05/05/90/388050590.db2.gz VJFMFAVSINWHBK-CYBMUJFWSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc(N2CC[C@H](C(C)C)C2)nc(C2CC2)[nH+]1 ZINC000447049516 388050262 /nfs/dbraw/zinc/05/02/62/388050262.db2.gz VJFMFAVSINWHBK-ZDUSSCGKSA-N 1 2 245.370 3.145 20 0 BGADLO CC(C)[C@@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000447074647 388051546 /nfs/dbraw/zinc/05/15/46/388051546.db2.gz HDDYHFOAOLBJFF-GFCCVEGCSA-N 1 2 241.338 3.112 20 0 BGADLO CC(C)[C@H]1CCN(c2cc[nH+]c3ccncc32)C1 ZINC000447074648 388051215 /nfs/dbraw/zinc/05/12/15/388051215.db2.gz HDDYHFOAOLBJFF-LBPRGKRZSA-N 1 2 241.338 3.112 20 0 BGADLO Cc1ccc(NC(=O)NCCC(C)(C)C)c(C)[nH+]1 ZINC000447186202 388056023 /nfs/dbraw/zinc/05/60/23/388056023.db2.gz VNYQHYPVWOLNPD-UHFFFAOYSA-N 1 2 249.358 3.256 20 0 BGADLO Cc1cc(C)cc(CSCc2c[nH+]cn2C)c1 ZINC000447352277 388065699 /nfs/dbraw/zinc/06/56/99/388065699.db2.gz YSRKCMYTZXKRIG-UHFFFAOYSA-N 1 2 246.379 3.470 20 0 BGADLO CC[N@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447381771 388067098 /nfs/dbraw/zinc/06/70/98/388067098.db2.gz HPKOUPYCGSJQGF-UHFFFAOYSA-N 1 2 234.730 3.130 20 0 BGADLO CC[N@@H+]1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000447381771 388067094 /nfs/dbraw/zinc/06/70/94/388067094.db2.gz HPKOUPYCGSJQGF-UHFFFAOYSA-N 1 2 234.730 3.130 20 0 BGADLO CC(C)=CCSc1[nH+]cnc2[nH]ccc21 ZINC000447691792 388086855 /nfs/dbraw/zinc/08/68/55/388086855.db2.gz VSKSHMRHOUATGE-UHFFFAOYSA-N 1 2 219.313 3.016 20 0 BGADLO C[C@H](CC[N@@H+](C)CC(F)F)c1ccccc1 ZINC000447734003 388089402 /nfs/dbraw/zinc/08/94/02/388089402.db2.gz RYNJKAXAGMFEJO-LLVKDONJSA-N 1 2 227.298 3.377 20 0 BGADLO C[C@H](CC[N@H+](C)CC(F)F)c1ccccc1 ZINC000447734003 388089401 /nfs/dbraw/zinc/08/94/01/388089401.db2.gz RYNJKAXAGMFEJO-LLVKDONJSA-N 1 2 227.298 3.377 20 0 BGADLO C[C@@H](CC[N@@H+](C)CC(F)F)c1ccccc1 ZINC000447734004 388089059 /nfs/dbraw/zinc/08/90/59/388089059.db2.gz RYNJKAXAGMFEJO-NSHDSACASA-N 1 2 227.298 3.377 20 0 BGADLO C[C@@H](CC[N@H+](C)CC(F)F)c1ccccc1 ZINC000447734004 388089055 /nfs/dbraw/zinc/08/90/55/388089055.db2.gz RYNJKAXAGMFEJO-NSHDSACASA-N 1 2 227.298 3.377 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1Cl ZINC000447742671 388090490 /nfs/dbraw/zinc/09/04/90/388090490.db2.gz QOJDNQMRPFCRJO-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1Cl ZINC000447742671 388090489 /nfs/dbraw/zinc/09/04/89/388090489.db2.gz QOJDNQMRPFCRJO-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO CCCN(CC1CC1)c1cc[nH+]c(C(C)C)n1 ZINC000448126554 385236947 /nfs/dbraw/zinc/23/69/47/385236947.db2.gz SACOEARUXHGWHA-UHFFFAOYSA-N 1 2 233.359 3.226 20 0 BGADLO CCCN(CC1CC1)c1cc(C)[nH+]c(C2CC2)n1 ZINC000448130005 385243689 /nfs/dbraw/zinc/24/36/89/385243689.db2.gz UPKSJMMTQHCPLD-UHFFFAOYSA-N 1 2 245.370 3.289 20 0 BGADLO CCC1(C)C[NH+](Cc2csc(C3CC3)n2)C1 ZINC000448552640 201243181 /nfs/dbraw/zinc/24/31/81/201243181.db2.gz RXGJCRKXQQCNMF-UHFFFAOYSA-N 1 2 236.384 3.252 20 0 BGADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccncc1F ZINC000449008421 388127711 /nfs/dbraw/zinc/12/77/11/388127711.db2.gz DEXJNDGJFIUWAI-JTQLQIEISA-N 1 2 234.274 3.007 20 0 BGADLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccncc1F ZINC000449008421 388127709 /nfs/dbraw/zinc/12/77/09/388127709.db2.gz DEXJNDGJFIUWAI-JTQLQIEISA-N 1 2 234.274 3.007 20 0 BGADLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccncc1F ZINC000449008422 388126862 /nfs/dbraw/zinc/12/68/62/388126862.db2.gz DEXJNDGJFIUWAI-SNVBAGLBSA-N 1 2 234.274 3.007 20 0 BGADLO C[C@H](c1ccco1)[N@H+](C)Cc1ccncc1F ZINC000449008422 388126859 /nfs/dbraw/zinc/12/68/59/388126859.db2.gz DEXJNDGJFIUWAI-SNVBAGLBSA-N 1 2 234.274 3.007 20 0 BGADLO Cc1cccc(C[N@@H+](C)Cc2ccco2)c1F ZINC000449009309 388129035 /nfs/dbraw/zinc/12/90/35/388129035.db2.gz UWTYSICUPPSBMK-UHFFFAOYSA-N 1 2 233.286 3.359 20 0 BGADLO Cc1cccc(C[N@H+](C)Cc2ccco2)c1F ZINC000449009309 388129033 /nfs/dbraw/zinc/12/90/33/388129033.db2.gz UWTYSICUPPSBMK-UHFFFAOYSA-N 1 2 233.286 3.359 20 0 BGADLO CC(C)[N@@H+](Cc1ccco1)Cc1ccncc1F ZINC000449011833 388128880 /nfs/dbraw/zinc/12/88/80/388128880.db2.gz VHLHYMYPOWHEKV-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO CC(C)[N@H+](Cc1ccco1)Cc1ccncc1F ZINC000449011833 388128879 /nfs/dbraw/zinc/12/88/79/388128879.db2.gz VHLHYMYPOWHEKV-UHFFFAOYSA-N 1 2 248.301 3.224 20 0 BGADLO C[N@H+](Cc1cccc2ccoc21)CC(F)F ZINC000449014868 388130111 /nfs/dbraw/zinc/13/01/11/388130111.db2.gz AEPWTKJHACEXJN-UHFFFAOYSA-N 1 2 225.238 3.130 20 0 BGADLO C[N@@H+](Cc1cccc2ccoc21)CC(F)F ZINC000449014868 388130108 /nfs/dbraw/zinc/13/01/08/388130108.db2.gz AEPWTKJHACEXJN-UHFFFAOYSA-N 1 2 225.238 3.130 20 0 BGADLO C[C@H](C[N@@H+](C)CC(F)F)c1cc(F)cc(F)c1 ZINC000449017109 388130632 /nfs/dbraw/zinc/13/06/32/388130632.db2.gz GYKPEGDKIFXUHZ-MRVPVSSYSA-N 1 2 249.251 3.265 20 0 BGADLO C[C@H](C[N@H+](C)CC(F)F)c1cc(F)cc(F)c1 ZINC000449017109 388130628 /nfs/dbraw/zinc/13/06/28/388130628.db2.gz GYKPEGDKIFXUHZ-MRVPVSSYSA-N 1 2 249.251 3.265 20 0 BGADLO C[C@@H](C[N@@H+](C)CC(F)F)c1cc(F)cc(F)c1 ZINC000449017110 388130813 /nfs/dbraw/zinc/13/08/13/388130813.db2.gz GYKPEGDKIFXUHZ-QMMMGPOBSA-N 1 2 249.251 3.265 20 0 BGADLO C[C@@H](C[N@H+](C)CC(F)F)c1cc(F)cc(F)c1 ZINC000449017110 388130810 /nfs/dbraw/zinc/13/08/10/388130810.db2.gz GYKPEGDKIFXUHZ-QMMMGPOBSA-N 1 2 249.251 3.265 20 0 BGADLO Cc1cccc(C[N@@H+](C)Cc2ccoc2)c1F ZINC000449017436 388130652 /nfs/dbraw/zinc/13/06/52/388130652.db2.gz QADXVJPRBRWGOH-UHFFFAOYSA-N 1 2 233.286 3.359 20 0 BGADLO Cc1cccc(C[N@H+](C)Cc2ccoc2)c1F ZINC000449017436 388130651 /nfs/dbraw/zinc/13/06/51/388130651.db2.gz QADXVJPRBRWGOH-UHFFFAOYSA-N 1 2 233.286 3.359 20 0 BGADLO Cc1cccc(CC[N@@H+](CC(F)F)C2CC2)c1 ZINC000449024696 388131423 /nfs/dbraw/zinc/13/14/23/388131423.db2.gz DAQZKHXNUYDNTN-UHFFFAOYSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1cccc(CC[N@H+](CC(F)F)C2CC2)c1 ZINC000449024696 388131421 /nfs/dbraw/zinc/13/14/21/388131421.db2.gz DAQZKHXNUYDNTN-UHFFFAOYSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2nccs2)cs1 ZINC000449029373 388132565 /nfs/dbraw/zinc/13/25/65/388132565.db2.gz ONRPMPFDCOUWLO-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2nccs2)cs1 ZINC000449029373 388132563 /nfs/dbraw/zinc/13/25/63/388132563.db2.gz ONRPMPFDCOUWLO-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO c1cc(CNc2cccc[nH+]2)n(C2CCCC2)n1 ZINC000449086291 388140516 /nfs/dbraw/zinc/14/05/16/388140516.db2.gz BXMMTULGBDCOOG-UHFFFAOYSA-N 1 2 242.326 3.005 20 0 BGADLO Cc1ccc(N[C@H](C)Cc2ccoc2)c[nH+]1 ZINC000449192841 388155488 /nfs/dbraw/zinc/15/54/88/388155488.db2.gz MUWAPQGRNYDAHF-LLVKDONJSA-N 1 2 216.284 3.026 20 0 BGADLO Cc1ccc(N[C@@H](C)Cc2ccoc2)c[nH+]1 ZINC000449192842 388155862 /nfs/dbraw/zinc/15/58/62/388155862.db2.gz MUWAPQGRNYDAHF-NSHDSACASA-N 1 2 216.284 3.026 20 0 BGADLO COc1cc(C)ccc1CNc1ccc(C)[nH+]c1 ZINC000449193752 388156229 /nfs/dbraw/zinc/15/62/29/388156229.db2.gz NWLITTNGSIXYNI-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO CSc1ccc(N[C@@H](C)Cc2ccoc2)[nH+]c1 ZINC000449196882 388156047 /nfs/dbraw/zinc/15/60/47/388156047.db2.gz TZGBXVFOBUCGIC-JTQLQIEISA-N 1 2 248.351 3.440 20 0 BGADLO CSc1ccc(N[C@H](C)Cc2ccoc2)[nH+]c1 ZINC000449196883 388156323 /nfs/dbraw/zinc/15/63/23/388156323.db2.gz TZGBXVFOBUCGIC-SNVBAGLBSA-N 1 2 248.351 3.440 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)Cc1ccoc1 ZINC000449202099 388156763 /nfs/dbraw/zinc/15/67/63/388156763.db2.gz FBSQHKJKXHQYQI-JTQLQIEISA-N 1 2 216.284 3.026 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)Cc1ccoc1 ZINC000449202100 388156857 /nfs/dbraw/zinc/15/68/57/388156857.db2.gz FBSQHKJKXHQYQI-SNVBAGLBSA-N 1 2 216.284 3.026 20 0 BGADLO Cc1ccc(N[C@H](C)Cc2ccoc2)c(C)[nH+]1 ZINC000449204414 388156767 /nfs/dbraw/zinc/15/67/67/388156767.db2.gz JEIKCMPVIGNGEO-LLVKDONJSA-N 1 2 230.311 3.335 20 0 BGADLO Cc1ccc(N[C@@H](C)Cc2ccoc2)c(C)[nH+]1 ZINC000449204415 388156667 /nfs/dbraw/zinc/15/66/67/388156667.db2.gz JEIKCMPVIGNGEO-NSHDSACASA-N 1 2 230.311 3.335 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)Cc2ccoc2)c1 ZINC000449207073 388157674 /nfs/dbraw/zinc/15/76/74/388157674.db2.gz MHLYJMDQLLIJLF-LLVKDONJSA-N 1 2 216.284 3.026 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)Cc2ccoc2)c1 ZINC000449207074 388157696 /nfs/dbraw/zinc/15/76/96/388157696.db2.gz MHLYJMDQLLIJLF-NSHDSACASA-N 1 2 216.284 3.026 20 0 BGADLO COc1cc(C)ccc1CNc1c[nH+]cc(C)c1 ZINC000449208750 388157640 /nfs/dbraw/zinc/15/76/40/388157640.db2.gz OHUUISIOYFZZQV-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1cc(C)ccc1CNc1ccc[nH+]c1C ZINC000449209750 388157872 /nfs/dbraw/zinc/15/78/72/388157872.db2.gz PZAKRPPKGJZDDU-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1cc(C)ccc1CNc1c[nH+]ccc1C ZINC000449214097 410067907 /nfs/dbraw/zinc/06/79/07/410067907.db2.gz VWIPPUPMSDUWNV-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1cccc(C[N@H+]2CCC=C(F)C2)c1F ZINC000449229630 397952414 /nfs/dbraw/zinc/95/24/14/397952414.db2.gz CUPSQMCGLMVAII-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO Cc1cccc(C[N@@H+]2CCC=C(F)C2)c1F ZINC000449229630 397952413 /nfs/dbraw/zinc/95/24/13/397952413.db2.gz CUPSQMCGLMVAII-UHFFFAOYSA-N 1 2 223.266 3.193 20 0 BGADLO COc1cc(C)ccc1C[N@H+]1CCC=C(F)C1 ZINC000449229953 256782134 /nfs/dbraw/zinc/78/21/34/256782134.db2.gz GGTHMQIWZIBCKE-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO COc1cc(C)ccc1C[N@@H+]1CCC=C(F)C1 ZINC000449229953 256782131 /nfs/dbraw/zinc/78/21/31/256782131.db2.gz GGTHMQIWZIBCKE-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO C[C@H]1CSC[C@@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000449232506 201843264 /nfs/dbraw/zinc/84/32/64/201843264.db2.gz IEWDODIVULTFJY-HZMBPMFUSA-N 1 2 248.395 3.124 20 0 BGADLO C[C@H]1CSC[C@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000449232507 397952590 /nfs/dbraw/zinc/95/25/90/397952590.db2.gz IEWDODIVULTFJY-IINYFYTJSA-N 1 2 248.395 3.124 20 0 BGADLO C[C@@H]1CSC[C@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000449232508 397951993 /nfs/dbraw/zinc/95/19/93/397951993.db2.gz IEWDODIVULTFJY-QMTHXVAHSA-N 1 2 248.395 3.124 20 0 BGADLO C[C@@H]1CSC[C@@H]1Nc1c[nH+]c2c(c1)CCCC2 ZINC000449232509 397952404 /nfs/dbraw/zinc/95/24/04/397952404.db2.gz IEWDODIVULTFJY-YGRLFVJLSA-N 1 2 248.395 3.124 20 0 BGADLO CC[N@@H+](CCc1cccc(C)c1)CC(F)F ZINC000449235356 388159903 /nfs/dbraw/zinc/15/99/03/388159903.db2.gz FZHLIXDNCDTGQA-UHFFFAOYSA-N 1 2 227.298 3.125 20 0 BGADLO CC[N@H+](CCc1cccc(C)c1)CC(F)F ZINC000449235356 388159901 /nfs/dbraw/zinc/15/99/01/388159901.db2.gz FZHLIXDNCDTGQA-UHFFFAOYSA-N 1 2 227.298 3.125 20 0 BGADLO FC1(F)CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC000449254879 388163749 /nfs/dbraw/zinc/16/37/49/388163749.db2.gz ZCIXVWXRPHIIMP-UHFFFAOYSA-N 1 2 237.249 3.274 20 0 BGADLO FC1(F)CC[N@H+](Cc2cccc3ccoc32)C1 ZINC000449254879 388163747 /nfs/dbraw/zinc/16/37/47/388163747.db2.gz ZCIXVWXRPHIIMP-UHFFFAOYSA-N 1 2 237.249 3.274 20 0 BGADLO FC(F)C1([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449304335 388170360 /nfs/dbraw/zinc/17/03/60/388170360.db2.gz AVLGVGPMWRRWDL-UHFFFAOYSA-N 1 2 237.249 3.320 20 0 BGADLO Cc1cccc(CC[N@H+]2CCC[C@@H]2C(F)F)c1 ZINC000449319520 388172704 /nfs/dbraw/zinc/17/27/04/388172704.db2.gz KGCAHHZGYMOAKP-CYBMUJFWSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1cccc(CC[N@@H+]2CCC[C@@H]2C(F)F)c1 ZINC000449319520 388172702 /nfs/dbraw/zinc/17/27/02/388172702.db2.gz KGCAHHZGYMOAKP-CYBMUJFWSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1cc(C[N@H+]2CCC[C@@H]2C(F)F)cs1 ZINC000449320563 388170757 /nfs/dbraw/zinc/17/07/57/388170757.db2.gz OMCGEMQNBWKFFN-SNVBAGLBSA-N 1 2 231.311 3.286 20 0 BGADLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(F)F)cs1 ZINC000449320563 388170755 /nfs/dbraw/zinc/17/07/55/388170755.db2.gz OMCGEMQNBWKFFN-SNVBAGLBSA-N 1 2 231.311 3.286 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000449346843 388177520 /nfs/dbraw/zinc/17/75/20/388177520.db2.gz APHQQIDSZLSSSU-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000449346843 388177519 /nfs/dbraw/zinc/17/75/19/388177519.db2.gz APHQQIDSZLSSSU-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000449346844 388177534 /nfs/dbraw/zinc/17/75/34/388177534.db2.gz APHQQIDSZLSSSU-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000449346844 388177533 /nfs/dbraw/zinc/17/75/33/388177533.db2.gz APHQQIDSZLSSSU-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000449347347 388176683 /nfs/dbraw/zinc/17/66/83/388176683.db2.gz BWABTDKXULQGQQ-LLVKDONJSA-N 1 2 231.698 3.257 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000449347347 388176681 /nfs/dbraw/zinc/17/66/81/388176681.db2.gz BWABTDKXULQGQQ-LLVKDONJSA-N 1 2 231.698 3.257 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000449347348 388177095 /nfs/dbraw/zinc/17/70/95/388177095.db2.gz BWABTDKXULQGQQ-NSHDSACASA-N 1 2 231.698 3.257 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000449347348 388177094 /nfs/dbraw/zinc/17/70/94/388177094.db2.gz BWABTDKXULQGQQ-NSHDSACASA-N 1 2 231.698 3.257 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000449348824 388178760 /nfs/dbraw/zinc/17/87/60/388178760.db2.gz HDNQZCFGKYIEBH-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000449348824 388178756 /nfs/dbraw/zinc/17/87/56/388178756.db2.gz HDNQZCFGKYIEBH-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000449348825 388178474 /nfs/dbraw/zinc/17/84/74/388178474.db2.gz HDNQZCFGKYIEBH-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000449348825 388178473 /nfs/dbraw/zinc/17/84/73/388178473.db2.gz HDNQZCFGKYIEBH-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000449349496 388179354 /nfs/dbraw/zinc/17/93/54/388179354.db2.gz JZMZENBOZHRGCG-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000449349496 388179353 /nfs/dbraw/zinc/17/93/53/388179353.db2.gz JZMZENBOZHRGCG-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000449349497 388178562 /nfs/dbraw/zinc/17/85/62/388178562.db2.gz JZMZENBOZHRGCG-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000449349497 388178561 /nfs/dbraw/zinc/17/85/61/388178561.db2.gz JZMZENBOZHRGCG-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000449351439 383930928 /nfs/dbraw/zinc/93/09/28/383930928.db2.gz PIYLYYVTSMOPED-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000449351439 383930925 /nfs/dbraw/zinc/93/09/25/383930925.db2.gz PIYLYYVTSMOPED-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000449351440 383930999 /nfs/dbraw/zinc/93/09/99/383930999.db2.gz PIYLYYVTSMOPED-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000449351440 383930994 /nfs/dbraw/zinc/93/09/94/383930994.db2.gz PIYLYYVTSMOPED-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO CC(C)[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1COC1 ZINC000449351768 383927623 /nfs/dbraw/zinc/92/76/23/383927623.db2.gz REARLWDFMBVCGX-BXUZGUMPSA-N 1 2 249.354 3.012 20 0 BGADLO CC(C)[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1COC1 ZINC000449351768 383927612 /nfs/dbraw/zinc/92/76/12/383927612.db2.gz REARLWDFMBVCGX-BXUZGUMPSA-N 1 2 249.354 3.012 20 0 BGADLO CC(C)[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1COC1 ZINC000449351769 383928627 /nfs/dbraw/zinc/92/86/27/383928627.db2.gz REARLWDFMBVCGX-FZMZJTMJSA-N 1 2 249.354 3.012 20 0 BGADLO CC(C)[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1COC1 ZINC000449351769 383928618 /nfs/dbraw/zinc/92/86/18/383928618.db2.gz REARLWDFMBVCGX-FZMZJTMJSA-N 1 2 249.354 3.012 20 0 BGADLO CC(C)[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1COC1 ZINC000449351770 383926407 /nfs/dbraw/zinc/92/64/07/383926407.db2.gz REARLWDFMBVCGX-RISCZKNCSA-N 1 2 249.354 3.012 20 0 BGADLO CC(C)[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1COC1 ZINC000449351770 383926394 /nfs/dbraw/zinc/92/63/94/383926394.db2.gz REARLWDFMBVCGX-RISCZKNCSA-N 1 2 249.354 3.012 20 0 BGADLO CC(C)[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1COC1 ZINC000449351771 383928409 /nfs/dbraw/zinc/92/84/09/383928409.db2.gz REARLWDFMBVCGX-SMDDNHRTSA-N 1 2 249.354 3.012 20 0 BGADLO CC(C)[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1COC1 ZINC000449351771 383928402 /nfs/dbraw/zinc/92/84/02/383928402.db2.gz REARLWDFMBVCGX-SMDDNHRTSA-N 1 2 249.354 3.012 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000449352399 383934146 /nfs/dbraw/zinc/93/41/46/383934146.db2.gz USYMIAQTHCNDSF-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000449352399 383934141 /nfs/dbraw/zinc/93/41/41/383934141.db2.gz USYMIAQTHCNDSF-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000449352400 383934096 /nfs/dbraw/zinc/93/40/96/383934096.db2.gz USYMIAQTHCNDSF-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000449352400 383934091 /nfs/dbraw/zinc/93/40/91/383934091.db2.gz USYMIAQTHCNDSF-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000449352437 388180250 /nfs/dbraw/zinc/18/02/50/388180250.db2.gz VAPIYBPJZDTEFV-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000449352437 388180249 /nfs/dbraw/zinc/18/02/49/388180249.db2.gz VAPIYBPJZDTEFV-CYBMUJFWSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000449352439 388179827 /nfs/dbraw/zinc/17/98/27/388179827.db2.gz VAPIYBPJZDTEFV-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000449352439 388179826 /nfs/dbraw/zinc/17/98/26/388179826.db2.gz VAPIYBPJZDTEFV-ZDUSSCGKSA-N 1 2 243.272 3.289 20 0 BGADLO CC[C@@H]([NH2+]Cc1cccc(C)c1C)C(F)F ZINC000449356570 383963785 /nfs/dbraw/zinc/96/37/85/383963785.db2.gz AHSGHLXIUCSFKH-GFCCVEGCSA-N 1 2 227.298 3.437 20 0 BGADLO CC[C@H]([NH2+]Cc1cccc(C)c1C)C(F)F ZINC000449356572 383963620 /nfs/dbraw/zinc/96/36/20/383963620.db2.gz AHSGHLXIUCSFKH-LBPRGKRZSA-N 1 2 227.298 3.437 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(C)s1)C(F)F ZINC000449357730 388181400 /nfs/dbraw/zinc/18/14/00/388181400.db2.gz DCFGFRWHNGBVCG-SECBINFHSA-N 1 2 219.300 3.190 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(C)s1)C(F)F ZINC000449357731 388181808 /nfs/dbraw/zinc/18/18/08/388181808.db2.gz DCFGFRWHNGBVCG-VIFPVBQESA-N 1 2 219.300 3.190 20 0 BGADLO CCc1ccc(C[NH2+][C@H](CC)C(F)F)cc1 ZINC000449357736 388181460 /nfs/dbraw/zinc/18/14/60/388181460.db2.gz DECHWRFAKYRSLG-GFCCVEGCSA-N 1 2 227.298 3.382 20 0 BGADLO CCc1ccc(C[NH2+][C@@H](CC)C(F)F)cc1 ZINC000449357737 201882901 /nfs/dbraw/zinc/88/29/01/201882901.db2.gz DECHWRFAKYRSLG-LBPRGKRZSA-N 1 2 227.298 3.382 20 0 BGADLO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1)C(F)F ZINC000449358192 383969330 /nfs/dbraw/zinc/96/93/30/383969330.db2.gz FHKPZQZLSWQTQN-JTQLQIEISA-N 1 2 235.224 3.098 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C(F)F ZINC000449358193 383968859 /nfs/dbraw/zinc/96/88/59/383968859.db2.gz FHKPZQZLSWQTQN-SNVBAGLBSA-N 1 2 235.224 3.098 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccccc1C)C(F)F ZINC000449358351 388181685 /nfs/dbraw/zinc/18/16/85/388181685.db2.gz FREHUPZZGFZJPQ-LLVKDONJSA-N 1 2 213.271 3.128 20 0 BGADLO CC[C@H]([NH2+]Cc1ccccc1C)C(F)F ZINC000449358352 388181746 /nfs/dbraw/zinc/18/17/46/388181746.db2.gz FREHUPZZGFZJPQ-NSHDSACASA-N 1 2 213.271 3.128 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccsc1C)C(F)F ZINC000449358778 383977338 /nfs/dbraw/zinc/97/73/38/383977338.db2.gz GNQNMGBUIXCZGS-SECBINFHSA-N 1 2 219.300 3.190 20 0 BGADLO CC[C@H]([NH2+]Cc1ccsc1C)C(F)F ZINC000449358779 383976622 /nfs/dbraw/zinc/97/66/22/383976622.db2.gz GNQNMGBUIXCZGS-VIFPVBQESA-N 1 2 219.300 3.190 20 0 BGADLO CC[C@@H]([NH2+]Cc1cnc(C(C)C)s1)C(F)F ZINC000449358948 388181772 /nfs/dbraw/zinc/18/17/72/388181772.db2.gz GYSGCADONNFRRM-SECBINFHSA-N 1 2 248.342 3.400 20 0 BGADLO CC[C@H]([NH2+]Cc1cnc(C(C)C)s1)C(F)F ZINC000449358950 388181437 /nfs/dbraw/zinc/18/14/37/388181437.db2.gz GYSGCADONNFRRM-VIFPVBQESA-N 1 2 248.342 3.400 20 0 BGADLO CC[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C(F)F ZINC000449359407 388181484 /nfs/dbraw/zinc/18/14/84/388181484.db2.gz HTQANGVNBPIEHF-LLVKDONJSA-N 1 2 238.281 3.301 20 0 BGADLO CC[C@H]([NH2+]Cc1cccc2[nH]ccc21)C(F)F ZINC000449359408 388181421 /nfs/dbraw/zinc/18/14/21/388181421.db2.gz HTQANGVNBPIEHF-NSHDSACASA-N 1 2 238.281 3.301 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc(C)c(O)c(C)c1)C(F)F ZINC000449360961 388181864 /nfs/dbraw/zinc/18/18/64/388181864.db2.gz KDDZSLZBDGWIEE-LLVKDONJSA-N 1 2 243.297 3.142 20 0 BGADLO CC[C@H]([NH2+]Cc1cc(C)c(O)c(C)c1)C(F)F ZINC000449360962 388181828 /nfs/dbraw/zinc/18/18/28/388181828.db2.gz KDDZSLZBDGWIEE-NSHDSACASA-N 1 2 243.297 3.142 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(F)c(F)c1)C(F)F ZINC000449360982 388181347 /nfs/dbraw/zinc/18/13/47/388181347.db2.gz KEWFZSUJTUIFIK-JTQLQIEISA-N 1 2 235.224 3.098 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C(F)F ZINC000449360983 388181835 /nfs/dbraw/zinc/18/18/35/388181835.db2.gz KEWFZSUJTUIFIK-SNVBAGLBSA-N 1 2 235.224 3.098 20 0 BGADLO CC[C@@H]([NH2+]Cc1sccc1C)C(F)F ZINC000449361896 388182316 /nfs/dbraw/zinc/18/23/16/388182316.db2.gz LREPDETXMZIOJF-MRVPVSSYSA-N 1 2 219.300 3.190 20 0 BGADLO CC[C@H]([NH2+]Cc1sccc1C)C(F)F ZINC000449361897 388182230 /nfs/dbraw/zinc/18/22/30/388182230.db2.gz LREPDETXMZIOJF-QMMMGPOBSA-N 1 2 219.300 3.190 20 0 BGADLO CC[C@H]([NH2+]C/C=C/c1ccccc1)C(F)F ZINC000449361932 383979830 /nfs/dbraw/zinc/97/98/30/383979830.db2.gz LUVXFEQFOZKIDG-LZGFCCKTSA-N 1 2 225.282 3.333 20 0 BGADLO CC[C@@H]([NH2+]C/C=C\c1ccccc1)C(F)F ZINC000449361947 383978972 /nfs/dbraw/zinc/97/89/72/383978972.db2.gz LUVXFEQFOZKIDG-OJIASSBASA-N 1 2 225.282 3.333 20 0 BGADLO CC[C@H]([NH2+]C/C=C\c1ccccc1)C(F)F ZINC000449361948 383978383 /nfs/dbraw/zinc/97/83/83/383978383.db2.gz LUVXFEQFOZKIDG-PWWFUAJNSA-N 1 2 225.282 3.333 20 0 BGADLO CC[C@@H]([NH2+]C/C=C/c1ccccc1)C(F)F ZINC000449361950 383978859 /nfs/dbraw/zinc/97/88/59/383978859.db2.gz LUVXFEQFOZKIDG-UVMWJGKXSA-N 1 2 225.282 3.333 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(C)c(OC)c1)C(F)F ZINC000449362371 383981497 /nfs/dbraw/zinc/98/14/97/383981497.db2.gz MTNVUILMXHFJPA-LLVKDONJSA-N 1 2 243.297 3.137 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(C)c(OC)c1)C(F)F ZINC000449362377 383982361 /nfs/dbraw/zinc/98/23/61/383982361.db2.gz MTNVUILMXHFJPA-NSHDSACASA-N 1 2 243.297 3.137 20 0 BGADLO CC[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)C(F)F ZINC000449362416 388182518 /nfs/dbraw/zinc/18/25/18/388182518.db2.gz MWDVWHYEEGPSNG-AAOUONPWSA-N 1 2 243.272 3.472 20 0 BGADLO CC[C@H]([NH2+]C/C=C\c1ccc(F)cc1)C(F)F ZINC000449362417 388182693 /nfs/dbraw/zinc/18/26/93/388182693.db2.gz MWDVWHYEEGPSNG-MVZIDQBPSA-N 1 2 243.272 3.472 20 0 BGADLO CC[C@H]([NH2+]C/C=C/c1ccc(F)cc1)C(F)F ZINC000449362419 388182586 /nfs/dbraw/zinc/18/25/86/388182586.db2.gz MWDVWHYEEGPSNG-PCAWENJQSA-N 1 2 243.272 3.472 20 0 BGADLO CC[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)C(F)F ZINC000449362421 388182145 /nfs/dbraw/zinc/18/21/45/388182145.db2.gz MWDVWHYEEGPSNG-VSQXVHSFSA-N 1 2 243.272 3.472 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc(F)ccc1C)C(F)F ZINC000449362480 383980707 /nfs/dbraw/zinc/98/07/07/383980707.db2.gz MYWRDRFLCDFYLT-LLVKDONJSA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@H]([NH2+]Cc1cc(F)ccc1C)C(F)F ZINC000449362482 383982711 /nfs/dbraw/zinc/98/27/11/383982711.db2.gz MYWRDRFLCDFYLT-NSHDSACASA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@@H]([NH2+]Cc1scnc1C1CC1)C(F)F ZINC000449362922 398290959 /nfs/dbraw/zinc/29/09/59/398290959.db2.gz OFXNHNNSJIYNNY-MRVPVSSYSA-N 1 2 246.326 3.154 20 0 BGADLO CC[C@H]([NH2+]Cc1scnc1C1CC1)C(F)F ZINC000449362923 398291055 /nfs/dbraw/zinc/29/10/55/398291055.db2.gz OFXNHNNSJIYNNY-QMMMGPOBSA-N 1 2 246.326 3.154 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(C)c(F)c1)C(F)F ZINC000449363082 383986661 /nfs/dbraw/zinc/98/66/61/383986661.db2.gz OSMKBXCFIXHGQC-LLVKDONJSA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(C)c(F)c1)C(F)F ZINC000449363084 383987422 /nfs/dbraw/zinc/98/74/22/383987422.db2.gz OSMKBXCFIXHGQC-NSHDSACASA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(F)c(C)c1)C(F)F ZINC000449363318 388182284 /nfs/dbraw/zinc/18/22/84/388182284.db2.gz PIFLKPQUHUKREG-LLVKDONJSA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(F)c(C)c1)C(F)F ZINC000449363319 388182715 /nfs/dbraw/zinc/18/27/15/388182715.db2.gz PIFLKPQUHUKREG-NSHDSACASA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(Cl)cc1)C(F)F ZINC000449363529 388182399 /nfs/dbraw/zinc/18/23/99/388182399.db2.gz PPTNVJKNBPBYDB-JTQLQIEISA-N 1 2 233.689 3.473 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(F)F ZINC000449363532 388182302 /nfs/dbraw/zinc/18/23/02/388182302.db2.gz PPTNVJKNBPBYDB-SNVBAGLBSA-N 1 2 233.689 3.473 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(C)cc1OC)C(F)F ZINC000449363967 388182469 /nfs/dbraw/zinc/18/24/69/388182469.db2.gz QRCQYCREKUBFGC-LLVKDONJSA-N 1 2 243.297 3.137 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(C)cc1OC)C(F)F ZINC000449363968 388182041 /nfs/dbraw/zinc/18/20/41/388182041.db2.gz QRCQYCREKUBFGC-NSHDSACASA-N 1 2 243.297 3.137 20 0 BGADLO CC[C@@H]([NH2+]Cc1cccc(C)c1)C(F)F ZINC000449364170 388182338 /nfs/dbraw/zinc/18/23/38/388182338.db2.gz RHBDBELKBQFVKR-LLVKDONJSA-N 1 2 213.271 3.128 20 0 BGADLO CC[C@H]([NH2+]Cc1cccc(C)c1)C(F)F ZINC000449364172 388182642 /nfs/dbraw/zinc/18/26/42/388182642.db2.gz RHBDBELKBQFVKR-NSHDSACASA-N 1 2 213.271 3.128 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(C)cc1C)C(F)F ZINC000449364435 388183388 /nfs/dbraw/zinc/18/33/88/388183388.db2.gz SBSCLTPUPHSROZ-GFCCVEGCSA-N 1 2 227.298 3.437 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(C)cc1C)C(F)F ZINC000449364436 388183458 /nfs/dbraw/zinc/18/34/58/388183458.db2.gz SBSCLTPUPHSROZ-LBPRGKRZSA-N 1 2 227.298 3.437 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc(C)ccc1C)C(F)F ZINC000449364556 388183017 /nfs/dbraw/zinc/18/30/17/388183017.db2.gz SGSSKHZKOUECMQ-GFCCVEGCSA-N 1 2 227.298 3.437 20 0 BGADLO CC[C@H]([NH2+]Cc1cc(C)ccc1C)C(F)F ZINC000449364557 388183531 /nfs/dbraw/zinc/18/35/31/388183531.db2.gz SGSSKHZKOUECMQ-LBPRGKRZSA-N 1 2 227.298 3.437 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(C)cc1)C(F)F ZINC000449364583 383989647 /nfs/dbraw/zinc/98/96/47/383989647.db2.gz SMSHTRKGKAHALT-LLVKDONJSA-N 1 2 213.271 3.128 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(C)cc1)C(F)F ZINC000449364584 383991266 /nfs/dbraw/zinc/99/12/66/383991266.db2.gz SMSHTRKGKAHALT-NSHDSACASA-N 1 2 213.271 3.128 20 0 BGADLO CC[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C(F)F ZINC000449364752 388183158 /nfs/dbraw/zinc/18/31/58/388183158.db2.gz SXDBNCMDPAZQCL-LLVKDONJSA-N 1 2 238.281 3.301 20 0 BGADLO CC[C@H]([NH2+]Cc1cccc2cc[nH]c21)C(F)F ZINC000449364753 388183223 /nfs/dbraw/zinc/18/32/23/388183223.db2.gz SXDBNCMDPAZQCL-NSHDSACASA-N 1 2 238.281 3.301 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc(C)cc(C)c1)C(F)F ZINC000449365048 388183030 /nfs/dbraw/zinc/18/30/30/388183030.db2.gz UXBVCDRKOKIOME-GFCCVEGCSA-N 1 2 227.298 3.437 20 0 BGADLO CC[C@H]([NH2+]Cc1cc(C)cc(C)c1)C(F)F ZINC000449365049 388183600 /nfs/dbraw/zinc/18/36/00/388183600.db2.gz UXBVCDRKOKIOME-LBPRGKRZSA-N 1 2 227.298 3.437 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc(C)c(C)c1)C(F)F ZINC000449365176 388183677 /nfs/dbraw/zinc/18/36/77/388183677.db2.gz VEYSVUDTIYJKAT-GFCCVEGCSA-N 1 2 227.298 3.437 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc(C)c(C)c1)C(F)F ZINC000449365177 388182894 /nfs/dbraw/zinc/18/28/94/388182894.db2.gz VEYSVUDTIYJKAT-LBPRGKRZSA-N 1 2 227.298 3.437 20 0 BGADLO CCOc1ccc(C[NH2+][C@H](CC)C(F)F)cc1 ZINC000449365206 388182819 /nfs/dbraw/zinc/18/28/19/388182819.db2.gz VKNQSKLNKAKYMT-GFCCVEGCSA-N 1 2 243.297 3.219 20 0 BGADLO CCOc1ccc(C[NH2+][C@@H](CC)C(F)F)cc1 ZINC000449365209 201886824 /nfs/dbraw/zinc/88/68/24/201886824.db2.gz VKNQSKLNKAKYMT-LBPRGKRZSA-N 1 2 243.297 3.219 20 0 BGADLO CC[C@@H]([NH2+][C@H]1CCc2ccccc21)C(F)F ZINC000449365396 388183372 /nfs/dbraw/zinc/18/33/72/388183372.db2.gz VSVMQLQNRYEROJ-NEPJUHHUSA-N 1 2 225.282 3.307 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCc2ccccc21)C(F)F ZINC000449365400 388183697 /nfs/dbraw/zinc/18/36/97/388183697.db2.gz VSVMQLQNRYEROJ-NWDGAFQWSA-N 1 2 225.282 3.307 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCc2ccccc21)C(F)F ZINC000449365402 383996140 /nfs/dbraw/zinc/99/61/40/383996140.db2.gz VSVMQLQNRYEROJ-RYUDHWBXSA-N 1 2 225.282 3.307 20 0 BGADLO CC[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(F)F ZINC000449365405 383996119 /nfs/dbraw/zinc/99/61/19/383996119.db2.gz VSVMQLQNRYEROJ-VXGBXAGGSA-N 1 2 225.282 3.307 20 0 BGADLO CCOc1cccc(C[NH2+][C@H](CC)C(F)F)c1 ZINC000449365424 388183710 /nfs/dbraw/zinc/18/37/10/388183710.db2.gz VVMXMZQCVKSLKX-GFCCVEGCSA-N 1 2 243.297 3.219 20 0 BGADLO CCOc1cccc(C[NH2+][C@@H](CC)C(F)F)c1 ZINC000449365425 388183317 /nfs/dbraw/zinc/18/33/17/388183317.db2.gz VVMXMZQCVKSLKX-LBPRGKRZSA-N 1 2 243.297 3.219 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1cc(C)ccn1)C(F)F ZINC000449365460 388183719 /nfs/dbraw/zinc/18/37/19/388183719.db2.gz WCKHFGVCYGBBHW-NXEZZACHSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1cc(C)ccn1)C(F)F ZINC000449365461 388183250 /nfs/dbraw/zinc/18/32/50/388183250.db2.gz WCKHFGVCYGBBHW-UWVGGRQHSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1cc(C)ccn1)C(F)F ZINC000449365462 388183650 /nfs/dbraw/zinc/18/36/50/388183650.db2.gz WCKHFGVCYGBBHW-VHSXEESVSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1cc(C)ccn1)C(F)F ZINC000449365463 388183672 /nfs/dbraw/zinc/18/36/72/388183672.db2.gz WCKHFGVCYGBBHW-ZJUUUORDSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc(C)ccc1OC)C(F)F ZINC000449365709 383995976 /nfs/dbraw/zinc/99/59/76/383995976.db2.gz WUYNBFDBAZKFBP-LLVKDONJSA-N 1 2 243.297 3.137 20 0 BGADLO CC[C@H]([NH2+]Cc1cc(C)ccc1OC)C(F)F ZINC000449365712 383996860 /nfs/dbraw/zinc/99/68/60/383996860.db2.gz WUYNBFDBAZKFBP-NSHDSACASA-N 1 2 243.297 3.137 20 0 BGADLO CC[C@H]([NH2+]Cc1ccccc1Cl)C(F)F ZINC000449365905 201886579 /nfs/dbraw/zinc/88/65/79/201886579.db2.gz XIOVAOUDCYBXDX-JTQLQIEISA-N 1 2 233.689 3.473 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccccc1Cl)C(F)F ZINC000449365906 388183133 /nfs/dbraw/zinc/18/31/33/388183133.db2.gz XIOVAOUDCYBXDX-SNVBAGLBSA-N 1 2 233.689 3.473 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc(C)ccc1F)C(F)F ZINC000449365913 383999999 /nfs/dbraw/zinc/99/99/99/383999999.db2.gz XMBKNNWVHMTHHB-LLVKDONJSA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@H]([NH2+]Cc1cc(C)ccc1F)C(F)F ZINC000449365914 384000015 /nfs/dbraw/zinc/00/00/15/384000015.db2.gz XMBKNNWVHMTHHB-NSHDSACASA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@H]([NH2+]Cc1cccc(Cl)c1)C(F)F ZINC000449366150 383999797 /nfs/dbraw/zinc/99/97/97/383999797.db2.gz XSYHMZBGQAOTDR-JTQLQIEISA-N 1 2 233.689 3.473 20 0 BGADLO CC[C@@H]([NH2+]Cc1cccc(Cl)c1)C(F)F ZINC000449366151 383998797 /nfs/dbraw/zinc/99/87/97/383998797.db2.gz XSYHMZBGQAOTDR-SNVBAGLBSA-N 1 2 233.689 3.473 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1ccccc1)C(F)F ZINC000449366156 201887658 /nfs/dbraw/zinc/88/76/58/201887658.db2.gz XTNCHXRAWLMLOR-GXSJLCMTSA-N 1 2 213.271 3.381 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1ccccc1)C(F)F ZINC000449366157 388183489 /nfs/dbraw/zinc/18/34/89/388183489.db2.gz XTNCHXRAWLMLOR-KOLCDFICSA-N 1 2 213.271 3.381 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1ccccc1)C(F)F ZINC000449366158 388182839 /nfs/dbraw/zinc/18/28/39/388182839.db2.gz XTNCHXRAWLMLOR-MWLCHTKSSA-N 1 2 213.271 3.381 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1ccccc1)C(F)F ZINC000449366159 388183329 /nfs/dbraw/zinc/18/33/29/388183329.db2.gz XTNCHXRAWLMLOR-ONGXEEELSA-N 1 2 213.271 3.381 20 0 BGADLO CC[C@@H]([NH2+]Cc1csc(C)c1)C(F)F ZINC000449366164 201885833 /nfs/dbraw/zinc/88/58/33/201885833.db2.gz XUJRDBZRNHEEDO-SECBINFHSA-N 1 2 219.300 3.190 20 0 BGADLO CC[C@H]([NH2+]Cc1csc(C)c1)C(F)F ZINC000449366165 388183120 /nfs/dbraw/zinc/18/31/20/388183120.db2.gz XUJRDBZRNHEEDO-VIFPVBQESA-N 1 2 219.300 3.190 20 0 BGADLO CC[C@H]([NH2+]Cc1cccc(C)c1F)C(F)F ZINC000449366702 388184559 /nfs/dbraw/zinc/18/45/59/388184559.db2.gz ZYFODKFUZLOYQZ-JTQLQIEISA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@@H]([NH2+]Cc1cccc(C)c1F)C(F)F ZINC000449366703 388184183 /nfs/dbraw/zinc/18/41/83/388184183.db2.gz ZYFODKFUZLOYQZ-SNVBAGLBSA-N 1 2 231.261 3.267 20 0 BGADLO Fc1cccc(Cl)c1C[NH+]1CC2(CC2)C1 ZINC000449370092 398291621 /nfs/dbraw/zinc/29/16/21/398291621.db2.gz IHYQXOHSZYCDEV-UHFFFAOYSA-N 1 2 225.694 3.075 20 0 BGADLO Fc1cc(Cl)cc(C[NH+]2CC3(CC3)C2)c1 ZINC000449370747 398292097 /nfs/dbraw/zinc/29/20/97/398292097.db2.gz MBAIABBPWJZLRK-UHFFFAOYSA-N 1 2 225.694 3.075 20 0 BGADLO Fc1ccc(C[NH+]2CC3(CC3)C2)cc1Cl ZINC000449371092 398292295 /nfs/dbraw/zinc/29/22/95/398292295.db2.gz QFAJDWWUFQSFLS-UHFFFAOYSA-N 1 2 225.694 3.075 20 0 BGADLO Fc1cc(C[NH+]2CC3(CC3)C2)ccc1Cl ZINC000449371178 201890339 /nfs/dbraw/zinc/89/03/39/201890339.db2.gz REKOJLGYMHDDEQ-UHFFFAOYSA-N 1 2 225.694 3.075 20 0 BGADLO Fc1ccc(C[NH+]2CC3(CC3)C2)c(Cl)c1 ZINC000449371203 398292347 /nfs/dbraw/zinc/29/23/47/398292347.db2.gz RKCLNTNQJYSRFU-UHFFFAOYSA-N 1 2 225.694 3.075 20 0 BGADLO Fc1ccc(Cl)cc1C[NH+]1CC2(CC2)C1 ZINC000449371271 398292228 /nfs/dbraw/zinc/29/22/28/398292228.db2.gz SHWQOGLGEZFEDW-UHFFFAOYSA-N 1 2 225.694 3.075 20 0 BGADLO Fc1cc(Cl)ccc1C[NH+]1CC2(CC2)C1 ZINC000449371287 398292478 /nfs/dbraw/zinc/29/24/78/398292478.db2.gz SNJXSCQGIHFPSD-UHFFFAOYSA-N 1 2 225.694 3.075 20 0 BGADLO Fc1c(Cl)cccc1C[NH+]1CC2(CC2)C1 ZINC000449371568 398292259 /nfs/dbraw/zinc/29/22/59/398292259.db2.gz WHWGKZQFIAKHRH-UHFFFAOYSA-N 1 2 225.694 3.075 20 0 BGADLO CC(C)(C)c1ccc(C[NH2+]C(CF)CF)cc1 ZINC000449371991 388184925 /nfs/dbraw/zinc/18/49/25/388184925.db2.gz AVNTTZKUAUYRNB-UHFFFAOYSA-N 1 2 241.325 3.381 20 0 BGADLO CC(C)c1ccc(C[NH2+]C(CF)CF)cc1 ZINC000449371993 388185169 /nfs/dbraw/zinc/18/51/69/388185169.db2.gz AWAQZORQEHBGAY-UHFFFAOYSA-N 1 2 227.298 3.207 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000449372015 388184739 /nfs/dbraw/zinc/18/47/39/388184739.db2.gz BFEJACDAQNYCMR-SNVBAGLBSA-N 1 2 247.317 3.016 20 0 BGADLO FCC(CF)[NH2+]Cc1csc2ccccc12 ZINC000449372961 388184978 /nfs/dbraw/zinc/18/49/78/388184978.db2.gz MRLADYCWMWLFIR-UHFFFAOYSA-N 1 2 241.306 3.299 20 0 BGADLO Cc1cc(C)c(C[NH2+]C(CF)CF)c(C)c1 ZINC000449373601 388185218 /nfs/dbraw/zinc/18/52/18/388185218.db2.gz SFJWKDQVPSJYJZ-UHFFFAOYSA-N 1 2 227.298 3.009 20 0 BGADLO FCC(CF)[NH2+]Cc1ccc2ccccc2c1 ZINC000449374395 388186098 /nfs/dbraw/zinc/18/60/98/388186098.db2.gz YXOYHNNIZCPYLD-UHFFFAOYSA-N 1 2 235.277 3.237 20 0 BGADLO Cc1cc(C)c(C[NH2+]C(CF)CF)cc1C ZINC000449374485 388185843 /nfs/dbraw/zinc/18/58/43/388185843.db2.gz ZVLSKCWMKPRPBG-UHFFFAOYSA-N 1 2 227.298 3.009 20 0 BGADLO CC(C)Cc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000449377835 388187329 /nfs/dbraw/zinc/18/73/29/388187329.db2.gz BPHAZXVJTGGABG-UHFFFAOYSA-N 1 2 241.325 3.282 20 0 BGADLO Cc1ccc(C[NH2+]C(CF)CF)cc1Cl ZINC000449378106 384075715 /nfs/dbraw/zinc/07/57/15/384075715.db2.gz CHKRMPVPGXZCGD-UHFFFAOYSA-N 1 2 233.689 3.046 20 0 BGADLO Cc1cc(Cl)cc(C[NH2+]C(CF)CF)c1 ZINC000449378647 384081503 /nfs/dbraw/zinc/08/15/03/384081503.db2.gz FBZKMNPVJDKOMW-UHFFFAOYSA-N 1 2 233.689 3.046 20 0 BGADLO CCCc1cccc(C[NH2+]C(CF)CF)c1 ZINC000449378855 388187798 /nfs/dbraw/zinc/18/77/98/388187798.db2.gz GBJMHRAYQVWNTO-UHFFFAOYSA-N 1 2 227.298 3.036 20 0 BGADLO Cc1cc(Cl)ccc1C[NH2+]C(CF)CF ZINC000449379444 384086886 /nfs/dbraw/zinc/08/68/86/384086886.db2.gz IEMNVXSRXSUIMV-UHFFFAOYSA-N 1 2 233.689 3.046 20 0 BGADLO FCC(CF)[NH2+]Cc1cc2ccccc2s1 ZINC000449379468 388188034 /nfs/dbraw/zinc/18/80/34/388188034.db2.gz IIYDEQOWVFBHJS-UHFFFAOYSA-N 1 2 241.306 3.299 20 0 BGADLO Cc1cc(C[NH2+]C(CF)CF)ccc1Cl ZINC000449379717 388188243 /nfs/dbraw/zinc/18/82/43/388188243.db2.gz JYBYENXCWOSUCJ-UHFFFAOYSA-N 1 2 233.689 3.046 20 0 BGADLO FCC(CF)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000449379756 384082266 /nfs/dbraw/zinc/08/22/66/384082266.db2.gz KFOODTHYHAXXGM-UHFFFAOYSA-N 1 2 239.309 3.351 20 0 BGADLO CC(C)(C)c1ccc(C[NH2+]C(CF)CF)s1 ZINC000449381445 388189170 /nfs/dbraw/zinc/18/91/70/388189170.db2.gz RYPMBBBHDGMCRC-UHFFFAOYSA-N 1 2 247.354 3.443 20 0 BGADLO CCSc1cccc(C[NH2+]C(CF)CF)c1 ZINC000449382175 388189174 /nfs/dbraw/zinc/18/91/74/388189174.db2.gz VGMHDMWZQCVFIF-UHFFFAOYSA-N 1 2 245.338 3.196 20 0 BGADLO CCc1cccc(Cl)c1C[NH2+]C(CF)CF ZINC000449382458 388189804 /nfs/dbraw/zinc/18/98/04/388189804.db2.gz WXEBJQPOCDHWTH-UHFFFAOYSA-N 1 2 247.716 3.300 20 0 BGADLO Cc1oc2ccccc2c1C[NH2+]C(CF)CF ZINC000449382698 388189556 /nfs/dbraw/zinc/18/95/56/388189556.db2.gz XYNLZQLBVHEYQP-UHFFFAOYSA-N 1 2 239.265 3.138 20 0 BGADLO Cc1cc(Cl)cc(C)c1C[NH2+]C(CF)CF ZINC000449382814 201896910 /nfs/dbraw/zinc/89/69/10/201896910.db2.gz YVZOLIBAUHHZNQ-UHFFFAOYSA-N 1 2 247.716 3.354 20 0 BGADLO F[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000449385139 388191072 /nfs/dbraw/zinc/19/10/72/388191072.db2.gz DXBFKRBMPVEHSX-LLVKDONJSA-N 1 2 247.235 3.249 20 0 BGADLO F[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000449385139 388191070 /nfs/dbraw/zinc/19/10/70/388191070.db2.gz DXBFKRBMPVEHSX-LLVKDONJSA-N 1 2 247.235 3.249 20 0 BGADLO F[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000449385140 388191221 /nfs/dbraw/zinc/19/12/21/388191221.db2.gz DXBFKRBMPVEHSX-NSHDSACASA-N 1 2 247.235 3.249 20 0 BGADLO F[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000449385140 388191219 /nfs/dbraw/zinc/19/12/19/388191219.db2.gz DXBFKRBMPVEHSX-NSHDSACASA-N 1 2 247.235 3.249 20 0 BGADLO F[C@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000449386448 388190829 /nfs/dbraw/zinc/19/08/29/388190829.db2.gz IKUVRKSJEQNMML-JTQLQIEISA-N 1 2 247.235 3.249 20 0 BGADLO F[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000449386448 388190828 /nfs/dbraw/zinc/19/08/28/388190828.db2.gz IKUVRKSJEQNMML-JTQLQIEISA-N 1 2 247.235 3.249 20 0 BGADLO F[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000449386449 388190437 /nfs/dbraw/zinc/19/04/37/388190437.db2.gz IKUVRKSJEQNMML-SNVBAGLBSA-N 1 2 247.235 3.249 20 0 BGADLO F[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000449386449 388190436 /nfs/dbraw/zinc/19/04/36/388190436.db2.gz IKUVRKSJEQNMML-SNVBAGLBSA-N 1 2 247.235 3.249 20 0 BGADLO Fc1ccc(C[N@@H+]2CC[C@H](F)C2)c(Cl)c1 ZINC000449387723 384140938 /nfs/dbraw/zinc/14/09/38/384140938.db2.gz MZEJOQULMDZBQK-JTQLQIEISA-N 1 2 231.673 3.023 20 0 BGADLO Fc1ccc(C[N@H+]2CC[C@H](F)C2)c(Cl)c1 ZINC000449387723 384140935 /nfs/dbraw/zinc/14/09/35/384140935.db2.gz MZEJOQULMDZBQK-JTQLQIEISA-N 1 2 231.673 3.023 20 0 BGADLO Fc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(Cl)c1 ZINC000449387724 384141417 /nfs/dbraw/zinc/14/14/17/384141417.db2.gz MZEJOQULMDZBQK-SNVBAGLBSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1ccc(C[N@H+]2CC[C@@H](F)C2)c(Cl)c1 ZINC000449387724 384141414 /nfs/dbraw/zinc/14/14/14/384141414.db2.gz MZEJOQULMDZBQK-SNVBAGLBSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1Cl ZINC000449388700 388191929 /nfs/dbraw/zinc/19/19/29/388191929.db2.gz ATXDJPDXPWGOFT-SECBINFHSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1Cl ZINC000449388700 388191927 /nfs/dbraw/zinc/19/19/27/388191927.db2.gz ATXDJPDXPWGOFT-SECBINFHSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1Cl ZINC000449388701 388191671 /nfs/dbraw/zinc/19/16/71/388191671.db2.gz ATXDJPDXPWGOFT-VIFPVBQESA-N 1 2 231.673 3.023 20 0 BGADLO Fc1ccc(C[N@H+]2CC[C@H](F)C2)cc1Cl ZINC000449388701 388191669 /nfs/dbraw/zinc/19/16/69/388191669.db2.gz ATXDJPDXPWGOFT-VIFPVBQESA-N 1 2 231.673 3.023 20 0 BGADLO Fc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1Cl ZINC000449390205 388191546 /nfs/dbraw/zinc/19/15/46/388191546.db2.gz VHTLXKVOMMMZNC-SECBINFHSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1Cl ZINC000449390205 388191543 /nfs/dbraw/zinc/19/15/43/388191543.db2.gz VHTLXKVOMMMZNC-SECBINFHSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1Cl ZINC000449390206 388192037 /nfs/dbraw/zinc/19/20/37/388192037.db2.gz VHTLXKVOMMMZNC-VIFPVBQESA-N 1 2 231.673 3.023 20 0 BGADLO Fc1cc(C[N@H+]2CC[C@H](F)C2)ccc1Cl ZINC000449390206 388192035 /nfs/dbraw/zinc/19/20/35/388192035.db2.gz VHTLXKVOMMMZNC-VIFPVBQESA-N 1 2 231.673 3.023 20 0 BGADLO Fc1cc(Cl)cc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000449391366 201900906 /nfs/dbraw/zinc/90/09/06/201900906.db2.gz ICIQPPCWXANVOJ-JTQLQIEISA-N 1 2 231.673 3.023 20 0 BGADLO Fc1cc(Cl)cc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000449391366 201900903 /nfs/dbraw/zinc/90/09/03/201900903.db2.gz ICIQPPCWXANVOJ-JTQLQIEISA-N 1 2 231.673 3.023 20 0 BGADLO Fc1cc(Cl)cc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000449391367 388192225 /nfs/dbraw/zinc/19/22/25/388192225.db2.gz ICIQPPCWXANVOJ-SNVBAGLBSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1cc(Cl)cc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000449391367 388192224 /nfs/dbraw/zinc/19/22/24/388192224.db2.gz ICIQPPCWXANVOJ-SNVBAGLBSA-N 1 2 231.673 3.023 20 0 BGADLO Cc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1Cl ZINC000449392609 388192794 /nfs/dbraw/zinc/19/27/94/388192794.db2.gz KNGFWCBNAHMMBO-LLVKDONJSA-N 1 2 227.710 3.192 20 0 BGADLO Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1Cl ZINC000449392609 388192793 /nfs/dbraw/zinc/19/27/93/388192793.db2.gz KNGFWCBNAHMMBO-LLVKDONJSA-N 1 2 227.710 3.192 20 0 BGADLO Cc1ccc(C[N@H+]2CC[C@H](F)C2)cc1Cl ZINC000449392611 388193148 /nfs/dbraw/zinc/19/31/48/388193148.db2.gz KNGFWCBNAHMMBO-NSHDSACASA-N 1 2 227.710 3.192 20 0 BGADLO Cc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1Cl ZINC000449392611 388193147 /nfs/dbraw/zinc/19/31/47/388193147.db2.gz KNGFWCBNAHMMBO-NSHDSACASA-N 1 2 227.710 3.192 20 0 BGADLO Fc1c(Cl)cccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000449394615 388192941 /nfs/dbraw/zinc/19/29/41/388192941.db2.gz ODYLJQLFRADLDV-SECBINFHSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1c(Cl)cccc1C[N@H+]1CC[C@@H](F)C1 ZINC000449394615 388192939 /nfs/dbraw/zinc/19/29/39/388192939.db2.gz ODYLJQLFRADLDV-SECBINFHSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1c(Cl)cccc1C[N@@H+]1CC[C@H](F)C1 ZINC000449394616 384165836 /nfs/dbraw/zinc/16/58/36/384165836.db2.gz ODYLJQLFRADLDV-VIFPVBQESA-N 1 2 231.673 3.023 20 0 BGADLO Fc1c(Cl)cccc1C[N@H+]1CC[C@H](F)C1 ZINC000449394616 384165830 /nfs/dbraw/zinc/16/58/30/384165830.db2.gz ODYLJQLFRADLDV-VIFPVBQESA-N 1 2 231.673 3.023 20 0 BGADLO Cc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1Cl ZINC000449397053 388194791 /nfs/dbraw/zinc/19/47/91/388194791.db2.gz UKDSUWTWCCREBP-LLVKDONJSA-N 1 2 227.710 3.192 20 0 BGADLO Cc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1Cl ZINC000449397053 388194789 /nfs/dbraw/zinc/19/47/89/388194789.db2.gz UKDSUWTWCCREBP-LLVKDONJSA-N 1 2 227.710 3.192 20 0 BGADLO Cc1cc(C[N@H+]2CC[C@H](F)C2)ccc1Cl ZINC000449397054 388194474 /nfs/dbraw/zinc/19/44/74/388194474.db2.gz UKDSUWTWCCREBP-NSHDSACASA-N 1 2 227.710 3.192 20 0 BGADLO Cc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1Cl ZINC000449397054 388194472 /nfs/dbraw/zinc/19/44/72/388194472.db2.gz UKDSUWTWCCREBP-NSHDSACASA-N 1 2 227.710 3.192 20 0 BGADLO Fc1ccc(/C=C\C[N@@H+]2CC[C@H](F)C2)c(F)c1 ZINC000449397424 388194581 /nfs/dbraw/zinc/19/45/81/388194581.db2.gz VDVGTHWUZRICDT-BIOMNHJASA-N 1 2 241.256 3.022 20 0 BGADLO Fc1ccc(/C=C\C[N@H+]2CC[C@H](F)C2)c(F)c1 ZINC000449397424 388194579 /nfs/dbraw/zinc/19/45/79/388194579.db2.gz VDVGTHWUZRICDT-BIOMNHJASA-N 1 2 241.256 3.022 20 0 BGADLO Fc1ccc(/C=C/C[N@@H+]2CC[C@H](F)C2)c(F)c1 ZINC000449397425 388193939 /nfs/dbraw/zinc/19/39/39/388193939.db2.gz VDVGTHWUZRICDT-ISUDXETCSA-N 1 2 241.256 3.022 20 0 BGADLO Fc1ccc(/C=C/C[N@H+]2CC[C@H](F)C2)c(F)c1 ZINC000449397425 388193937 /nfs/dbraw/zinc/19/39/37/388193937.db2.gz VDVGTHWUZRICDT-ISUDXETCSA-N 1 2 241.256 3.022 20 0 BGADLO Fc1ccc(/C=C\C[N@@H+]2CC[C@@H](F)C2)c(F)c1 ZINC000449397426 388194878 /nfs/dbraw/zinc/19/48/78/388194878.db2.gz VDVGTHWUZRICDT-UDSFMNFJSA-N 1 2 241.256 3.022 20 0 BGADLO Fc1ccc(/C=C\C[N@H+]2CC[C@@H](F)C2)c(F)c1 ZINC000449397426 388194876 /nfs/dbraw/zinc/19/48/76/388194876.db2.gz VDVGTHWUZRICDT-UDSFMNFJSA-N 1 2 241.256 3.022 20 0 BGADLO Fc1ccc(/C=C/C[N@@H+]2CC[C@@H](F)C2)c(F)c1 ZINC000449397428 388194640 /nfs/dbraw/zinc/19/46/40/388194640.db2.gz VDVGTHWUZRICDT-YYRQZUAOSA-N 1 2 241.256 3.022 20 0 BGADLO Fc1ccc(/C=C/C[N@H+]2CC[C@@H](F)C2)c(F)c1 ZINC000449397428 388194639 /nfs/dbraw/zinc/19/46/39/388194639.db2.gz VDVGTHWUZRICDT-YYRQZUAOSA-N 1 2 241.256 3.022 20 0 BGADLO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000449399054 201905346 /nfs/dbraw/zinc/90/53/46/201905346.db2.gz ZRZOAMMFMUVACN-GFCCVEGCSA-N 1 2 227.710 3.192 20 0 BGADLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000449399054 201905343 /nfs/dbraw/zinc/90/53/43/201905343.db2.gz ZRZOAMMFMUVACN-GFCCVEGCSA-N 1 2 227.710 3.192 20 0 BGADLO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000449399055 201904492 /nfs/dbraw/zinc/90/44/92/201904492.db2.gz ZRZOAMMFMUVACN-LBPRGKRZSA-N 1 2 227.710 3.192 20 0 BGADLO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000449399055 201904489 /nfs/dbraw/zinc/90/44/89/201904489.db2.gz ZRZOAMMFMUVACN-LBPRGKRZSA-N 1 2 227.710 3.192 20 0 BGADLO COc1cc(C[NH2+][C@@H](C)C(C)(F)F)ccc1C ZINC000449411186 388198392 /nfs/dbraw/zinc/19/83/92/388198392.db2.gz AISBTULEWGPDOQ-JTQLQIEISA-N 1 2 243.297 3.137 20 0 BGADLO COc1cc(C[NH2+][C@H](C)C(C)(F)F)ccc1C ZINC000449411187 388198400 /nfs/dbraw/zinc/19/84/00/388198400.db2.gz AISBTULEWGPDOQ-SNVBAGLBSA-N 1 2 243.297 3.137 20 0 BGADLO Cc1ccnc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)c1 ZINC000449414387 388199313 /nfs/dbraw/zinc/19/93/13/388199313.db2.gz LWBMLLCTDLOURI-NXEZZACHSA-N 1 2 228.286 3.084 20 0 BGADLO Cc1ccnc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000449414389 388198876 /nfs/dbraw/zinc/19/88/76/388198876.db2.gz LWBMLLCTDLOURI-UWVGGRQHSA-N 1 2 228.286 3.084 20 0 BGADLO Cc1ccnc([C@H](C)[NH2+][C@H](C)C(C)(F)F)c1 ZINC000449414390 388199201 /nfs/dbraw/zinc/19/92/01/388199201.db2.gz LWBMLLCTDLOURI-VHSXEESVSA-N 1 2 228.286 3.084 20 0 BGADLO Cc1ccnc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000449414391 388199072 /nfs/dbraw/zinc/19/90/72/388199072.db2.gz LWBMLLCTDLOURI-ZJUUUORDSA-N 1 2 228.286 3.084 20 0 BGADLO CC(C)c1ncc(C[NH2+][C@H](C)C(C)(F)F)s1 ZINC000449415040 388199341 /nfs/dbraw/zinc/19/93/41/388199341.db2.gz NXLVAZMASHXBAJ-MRVPVSSYSA-N 1 2 248.342 3.400 20 0 BGADLO CC(C)c1ncc(C[NH2+][C@@H](C)C(C)(F)F)s1 ZINC000449415041 201910059 /nfs/dbraw/zinc/91/00/59/201910059.db2.gz NXLVAZMASHXBAJ-QMMMGPOBSA-N 1 2 248.342 3.400 20 0 BGADLO C[C@@H]([NH2+]Cc1scnc1C1CC1)C(C)(F)F ZINC000449415471 398297948 /nfs/dbraw/zinc/29/79/48/398297948.db2.gz PCYCGYWUHRFUDB-SSDOTTSWSA-N 1 2 246.326 3.154 20 0 BGADLO C[C@H]([NH2+]Cc1scnc1C1CC1)C(C)(F)F ZINC000449415472 398297812 /nfs/dbraw/zinc/29/78/12/398297812.db2.gz PCYCGYWUHRFUDB-ZETCQYMHSA-N 1 2 246.326 3.154 20 0 BGADLO C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)C(C)(F)F ZINC000449415474 388198805 /nfs/dbraw/zinc/19/88/05/388198805.db2.gz PDSLIUKLWDJWOS-FSIBCCDJSA-N 1 2 243.272 3.472 20 0 BGADLO C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)C(C)(F)F ZINC000449415476 388198717 /nfs/dbraw/zinc/19/87/17/388198717.db2.gz PDSLIUKLWDJWOS-HMDXOVGESA-N 1 2 243.272 3.472 20 0 BGADLO C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)C(C)(F)F ZINC000449415477 388198936 /nfs/dbraw/zinc/19/89/36/388198936.db2.gz PDSLIUKLWDJWOS-UMBAGQNISA-N 1 2 243.272 3.472 20 0 BGADLO C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)C(C)(F)F ZINC000449415478 388198693 /nfs/dbraw/zinc/19/86/93/388198693.db2.gz PDSLIUKLWDJWOS-XOULXFPDSA-N 1 2 243.272 3.472 20 0 BGADLO COc1cc(C)ccc1C[NH2+][C@@H](C)C(C)(F)F ZINC000449415702 388199015 /nfs/dbraw/zinc/19/90/15/388199015.db2.gz QHWMZJGVXVGJOY-JTQLQIEISA-N 1 2 243.297 3.137 20 0 BGADLO COc1cc(C)ccc1C[NH2+][C@H](C)C(C)(F)F ZINC000449415703 388199019 /nfs/dbraw/zinc/19/90/19/388199019.db2.gz QHWMZJGVXVGJOY-SNVBAGLBSA-N 1 2 243.297 3.137 20 0 BGADLO Fc1cc(F)c(C[N@H+]2CC[C@@H]2C2CC2)cc1F ZINC000449427455 388203104 /nfs/dbraw/zinc/20/31/04/388203104.db2.gz OFNPUTPMALEMCQ-CYBMUJFWSA-N 1 2 241.256 3.088 20 0 BGADLO Fc1cc(F)c(C[N@@H+]2CC[C@@H]2C2CC2)cc1F ZINC000449427455 388203101 /nfs/dbraw/zinc/20/31/01/388203101.db2.gz OFNPUTPMALEMCQ-CYBMUJFWSA-N 1 2 241.256 3.088 20 0 BGADLO Fc1cc(F)c(C[N@H+]2CC[C@H]2C2CC2)cc1F ZINC000449427456 388202851 /nfs/dbraw/zinc/20/28/51/388202851.db2.gz OFNPUTPMALEMCQ-ZDUSSCGKSA-N 1 2 241.256 3.088 20 0 BGADLO Fc1cc(F)c(C[N@@H+]2CC[C@H]2C2CC2)cc1F ZINC000449427456 388202848 /nfs/dbraw/zinc/20/28/48/388202848.db2.gz OFNPUTPMALEMCQ-ZDUSSCGKSA-N 1 2 241.256 3.088 20 0 BGADLO CC(F)(F)c1ccccc1NCc1[nH]cc[nH+]1 ZINC000449468317 388212603 /nfs/dbraw/zinc/21/26/03/388212603.db2.gz KOKBRKZFIBWKSA-UHFFFAOYSA-N 1 2 237.253 3.134 20 0 BGADLO CC(C)=CC[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000449595320 388239728 /nfs/dbraw/zinc/23/97/28/388239728.db2.gz STUXXAULBAQSRG-HNNXBMFYSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000449595320 388239727 /nfs/dbraw/zinc/23/97/27/388239727.db2.gz STUXXAULBAQSRG-HNNXBMFYSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000449595321 388239658 /nfs/dbraw/zinc/23/96/58/388239658.db2.gz STUXXAULBAQSRG-OAHLLOKOSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000449595321 388239656 /nfs/dbraw/zinc/23/96/56/388239656.db2.gz STUXXAULBAQSRG-OAHLLOKOSA-N 1 2 249.329 3.165 20 0 BGADLO CCSCc1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000449606125 388240743 /nfs/dbraw/zinc/24/07/43/388240743.db2.gz XVRLAZFVGATZCY-UHFFFAOYSA-N 1 2 247.367 3.275 20 0 BGADLO CCCc1ncc(C[NH2+]Cc2ccc(CC)o2)o1 ZINC000449610076 388242832 /nfs/dbraw/zinc/24/28/32/388242832.db2.gz FBUKDDXHAHAROJ-UHFFFAOYSA-N 1 2 248.326 3.072 20 0 BGADLO CCCc1ncc(C[NH2+]Cc2ccccc2F)o1 ZINC000449612151 384723175 /nfs/dbraw/zinc/72/31/75/384723175.db2.gz KDWNDCGWBUALJN-UHFFFAOYSA-N 1 2 248.301 3.056 20 0 BGADLO CCC[C@H](CC(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000449850090 202046345 /nfs/dbraw/zinc/04/63/45/202046345.db2.gz QHZDXVDPVSACGM-CYBMUJFWSA-N 1 2 248.370 3.213 20 0 BGADLO CCC[C@@H](CC(C)C)C(=O)Nc1cc[nH+]cc1C ZINC000449850092 385370268 /nfs/dbraw/zinc/37/02/68/385370268.db2.gz QHZDXVDPVSACGM-ZDUSSCGKSA-N 1 2 248.370 3.213 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@H](CC)CC(C)C ZINC000449893616 202050233 /nfs/dbraw/zinc/05/02/33/202050233.db2.gz ZCGHCGHSWLATLC-GFCCVEGCSA-N 1 2 248.370 3.077 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@@H](CC)CC(C)C ZINC000449893617 202050000 /nfs/dbraw/zinc/05/00/00/202050000.db2.gz ZCGHCGHSWLATLC-LBPRGKRZSA-N 1 2 248.370 3.077 20 0 BGADLO CC(C)CCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000449948754 384917622 /nfs/dbraw/zinc/91/76/22/384917622.db2.gz MVXAQYQWMSDTMD-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO Cc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c(C)[nH+]1 ZINC000450147517 202086757 /nfs/dbraw/zinc/08/67/57/202086757.db2.gz NJGHTOIILJPKKN-AGIUHOORSA-N 1 2 244.338 3.073 20 0 BGADLO Cc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c(C)[nH+]1 ZINC000450147520 202085736 /nfs/dbraw/zinc/08/57/36/202085736.db2.gz NJGHTOIILJPKKN-RWMBFGLXSA-N 1 2 244.338 3.073 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2CC(C)C)c(C)[nH+]1 ZINC000450151390 201228301 /nfs/dbraw/zinc/22/83/01/201228301.db2.gz YPWARZVYINTSKE-CHWSQXEVSA-N 1 2 246.354 3.319 20 0 BGADLO CC[C@@H](C)Nc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000450208230 202096410 /nfs/dbraw/zinc/09/64/10/202096410.db2.gz LAOQWYVLRUYQIJ-SECBINFHSA-N 1 2 240.310 3.322 20 0 BGADLO CC[C@H](C)Nc1[nH+]cnc2[nH]c3ccccc3c21 ZINC000450208231 202097250 /nfs/dbraw/zinc/09/72/50/202097250.db2.gz LAOQWYVLRUYQIJ-VIFPVBQESA-N 1 2 240.310 3.322 20 0 BGADLO CC[N@@H+](Cc1ccccc1)[C@H](C)c1csnn1 ZINC000450216105 202097529 /nfs/dbraw/zinc/09/75/29/202097529.db2.gz PDHUHDHNXKUNEU-LLVKDONJSA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@H+](Cc1ccccc1)[C@H](C)c1csnn1 ZINC000450216105 202097526 /nfs/dbraw/zinc/09/75/26/202097526.db2.gz PDHUHDHNXKUNEU-LLVKDONJSA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@@H+](Cc1ccccc1)[C@@H](C)c1csnn1 ZINC000450216107 202099240 /nfs/dbraw/zinc/09/92/40/202099240.db2.gz PDHUHDHNXKUNEU-NSHDSACASA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@H+](Cc1ccccc1)[C@@H](C)c1csnn1 ZINC000450216107 202099237 /nfs/dbraw/zinc/09/92/37/202099237.db2.gz PDHUHDHNXKUNEU-NSHDSACASA-N 1 2 247.367 3.121 20 0 BGADLO Cc1ccccc1C[N@H+](C)[C@H](C)c1csnn1 ZINC000450217176 202098223 /nfs/dbraw/zinc/09/82/23/202098223.db2.gz QKGKRTHLSICEOK-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1C[N@@H+](C)[C@H](C)c1csnn1 ZINC000450217176 202098220 /nfs/dbraw/zinc/09/82/20/202098220.db2.gz QKGKRTHLSICEOK-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1C[N@H+](C)[C@@H](C)c1csnn1 ZINC000450217178 202098791 /nfs/dbraw/zinc/09/87/91/202098791.db2.gz QKGKRTHLSICEOK-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1C[N@@H+](C)[C@@H](C)c1csnn1 ZINC000450217178 202098789 /nfs/dbraw/zinc/09/87/89/202098789.db2.gz QKGKRTHLSICEOK-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc(C[N@H+](C)[C@H](C)c2csnn2)cc1 ZINC000450237014 202104802 /nfs/dbraw/zinc/10/48/02/202104802.db2.gz IGDIJPJTNVAHCN-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2csnn2)cc1 ZINC000450237014 202104797 /nfs/dbraw/zinc/10/47/97/202104797.db2.gz IGDIJPJTNVAHCN-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2csnn2)cc1 ZINC000450237015 202104591 /nfs/dbraw/zinc/10/45/91/202104591.db2.gz IGDIJPJTNVAHCN-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2csnn2)cc1 ZINC000450237015 202104588 /nfs/dbraw/zinc/10/45/88/202104588.db2.gz IGDIJPJTNVAHCN-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO CC(C)c1nnc(C[N@H+](C(C)C)C2CC2)s1 ZINC000450263000 202112769 /nfs/dbraw/zinc/11/27/69/202112769.db2.gz PEKVSWTVVZFGSB-UHFFFAOYSA-N 1 2 239.388 3.034 20 0 BGADLO CC(C)c1nnc(C[N@@H+](C(C)C)C2CC2)s1 ZINC000450263000 202112766 /nfs/dbraw/zinc/11/27/66/202112766.db2.gz PEKVSWTVVZFGSB-UHFFFAOYSA-N 1 2 239.388 3.034 20 0 BGADLO COc1cccc2c1cc[nH+]c2N(C)CC1CC1 ZINC000450265567 202113926 /nfs/dbraw/zinc/11/39/26/202113926.db2.gz YBTBDNPAYSDVPZ-UHFFFAOYSA-N 1 2 242.322 3.090 20 0 BGADLO Cc1cccc(C[N@H+](C)[C@H](C)c2csnn2)c1 ZINC000450268695 202113935 /nfs/dbraw/zinc/11/39/35/202113935.db2.gz HXXZHTMLFDQHSP-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cccc(C[N@@H+](C)[C@H](C)c2csnn2)c1 ZINC000450268695 202113933 /nfs/dbraw/zinc/11/39/33/202113933.db2.gz HXXZHTMLFDQHSP-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cccc(C[N@H+](C)[C@@H](C)c2csnn2)c1 ZINC000450268696 202114708 /nfs/dbraw/zinc/11/47/08/202114708.db2.gz HXXZHTMLFDQHSP-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cccc(C[N@@H+](C)[C@@H](C)c2csnn2)c1 ZINC000450268696 202114706 /nfs/dbraw/zinc/11/47/06/202114706.db2.gz HXXZHTMLFDQHSP-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO C[N@@H+](Cc1cscn1)CC1=CCCCC1 ZINC000450284083 201351078 /nfs/dbraw/zinc/35/10/78/201351078.db2.gz GIEAHYATNXAEJR-UHFFFAOYSA-N 1 2 222.357 3.075 20 0 BGADLO C[N@H+](Cc1cscn1)CC1=CCCCC1 ZINC000450284083 201351076 /nfs/dbraw/zinc/35/10/76/201351076.db2.gz GIEAHYATNXAEJR-UHFFFAOYSA-N 1 2 222.357 3.075 20 0 BGADLO CCCN(C)c1[nH+]ccc2c(OC)cccc21 ZINC000450284663 202118391 /nfs/dbraw/zinc/11/83/91/202118391.db2.gz CZXSYZNWKFPEFL-UHFFFAOYSA-N 1 2 230.311 3.090 20 0 BGADLO CC(=O)c1ccc(C[N@@H+](C)Cc2ccoc2)cc1 ZINC000450291911 202122320 /nfs/dbraw/zinc/12/23/20/202122320.db2.gz VUTNFQOYMIZPQG-UHFFFAOYSA-N 1 2 243.306 3.114 20 0 BGADLO CC(=O)c1ccc(C[N@H+](C)Cc2ccoc2)cc1 ZINC000450291911 202122317 /nfs/dbraw/zinc/12/23/17/202122317.db2.gz VUTNFQOYMIZPQG-UHFFFAOYSA-N 1 2 243.306 3.114 20 0 BGADLO CC(=O)c1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000450293292 202120443 /nfs/dbraw/zinc/12/04/43/202120443.db2.gz XZZDJXLJYAUPJE-UHFFFAOYSA-N 1 2 243.306 3.114 20 0 BGADLO CC(=O)c1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000450293292 202120439 /nfs/dbraw/zinc/12/04/39/202120439.db2.gz XZZDJXLJYAUPJE-UHFFFAOYSA-N 1 2 243.306 3.114 20 0 BGADLO Cc1nc(C[N@H+](C)CC2=CCCCC2)cs1 ZINC000450300434 202123453 /nfs/dbraw/zinc/12/34/53/202123453.db2.gz RYOLPNJAVWSQGW-UHFFFAOYSA-N 1 2 236.384 3.384 20 0 BGADLO Cc1nc(C[N@@H+](C)CC2=CCCCC2)cs1 ZINC000450300434 202123449 /nfs/dbraw/zinc/12/34/49/202123449.db2.gz RYOLPNJAVWSQGW-UHFFFAOYSA-N 1 2 236.384 3.384 20 0 BGADLO COc1cccc2c1cc[nH+]c2N1CC[C@@H](C)C1 ZINC000450300844 202124382 /nfs/dbraw/zinc/12/43/82/202124382.db2.gz RUSSVIBADUYVLJ-LLVKDONJSA-N 1 2 242.322 3.090 20 0 BGADLO COc1cccc2c1cc[nH+]c2N1CC[C@H](C)C1 ZINC000450300847 202122656 /nfs/dbraw/zinc/12/26/56/202122656.db2.gz RUSSVIBADUYVLJ-NSHDSACASA-N 1 2 242.322 3.090 20 0 BGADLO CC(C)c1nnc(C[N@@H+](C)CC(C)(C)C)s1 ZINC000450343427 202133600 /nfs/dbraw/zinc/13/36/00/202133600.db2.gz XJPMUTSVFIASEE-UHFFFAOYSA-N 1 2 241.404 3.139 20 0 BGADLO CC(C)c1nnc(C[N@H+](C)CC(C)(C)C)s1 ZINC000450343427 202133597 /nfs/dbraw/zinc/13/35/97/202133597.db2.gz XJPMUTSVFIASEE-UHFFFAOYSA-N 1 2 241.404 3.139 20 0 BGADLO C[N@@H+](CCC1=CCCCC1)CC(F)F ZINC000450352482 202140118 /nfs/dbraw/zinc/14/01/18/202140118.db2.gz BRDVYMVYVKYFBX-UHFFFAOYSA-N 1 2 203.276 3.074 20 0 BGADLO C[N@H+](CCC1=CCCCC1)CC(F)F ZINC000450352482 202140116 /nfs/dbraw/zinc/14/01/16/202140116.db2.gz BRDVYMVYVKYFBX-UHFFFAOYSA-N 1 2 203.276 3.074 20 0 BGADLO C[N@@H+](CC(F)F)C[C@H]1CCCCC1(F)F ZINC000450353323 202141183 /nfs/dbraw/zinc/14/11/83/202141183.db2.gz FKQZMRWBYRFJOS-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@H+](CC(F)F)C[C@H]1CCCCC1(F)F ZINC000450353323 202141180 /nfs/dbraw/zinc/14/11/80/202141180.db2.gz FKQZMRWBYRFJOS-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@@H+](CC(F)F)C[C@@H]1CCCCC1(F)F ZINC000450353324 202140698 /nfs/dbraw/zinc/14/06/98/202140698.db2.gz FKQZMRWBYRFJOS-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@H+](CC(F)F)C[C@@H]1CCCCC1(F)F ZINC000450353324 202140694 /nfs/dbraw/zinc/14/06/94/202140694.db2.gz FKQZMRWBYRFJOS-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO CCC[N@@H+](Cc1nnc(C(C)C)s1)C1CC1 ZINC000450354499 202139863 /nfs/dbraw/zinc/13/98/63/202139863.db2.gz MGFUIAZTHYSJNU-UHFFFAOYSA-N 1 2 239.388 3.036 20 0 BGADLO CCC[N@H+](Cc1nnc(C(C)C)s1)C1CC1 ZINC000450354499 202139859 /nfs/dbraw/zinc/13/98/59/202139859.db2.gz MGFUIAZTHYSJNU-UHFFFAOYSA-N 1 2 239.388 3.036 20 0 BGADLO COCC[N@@H+](CCC1=CCCCC1)CC(F)F ZINC000450357110 202142781 /nfs/dbraw/zinc/14/27/81/202142781.db2.gz YONAKZDLUKIVQN-UHFFFAOYSA-N 1 2 247.329 3.090 20 0 BGADLO COCC[N@H+](CCC1=CCCCC1)CC(F)F ZINC000450357110 202142779 /nfs/dbraw/zinc/14/27/79/202142779.db2.gz YONAKZDLUKIVQN-UHFFFAOYSA-N 1 2 247.329 3.090 20 0 BGADLO C[N@@H+](CC/C=C\c1ccccc1)CC(F)F ZINC000450357171 387974381 /nfs/dbraw/zinc/97/43/81/387974381.db2.gz YVFIXWLCICKFMS-UITAMQMPSA-N 1 2 225.282 3.287 20 0 BGADLO C[N@H+](CC/C=C\c1ccccc1)CC(F)F ZINC000450357171 387974377 /nfs/dbraw/zinc/97/43/77/387974377.db2.gz YVFIXWLCICKFMS-UITAMQMPSA-N 1 2 225.282 3.287 20 0 BGADLO C[N@@H+](CC/C=C/c1ccccc1)CC(F)F ZINC000450357172 387974821 /nfs/dbraw/zinc/97/48/21/387974821.db2.gz YVFIXWLCICKFMS-WEVVVXLNSA-N 1 2 225.282 3.287 20 0 BGADLO C[N@H+](CC/C=C/c1ccccc1)CC(F)F ZINC000450357172 387974818 /nfs/dbraw/zinc/97/48/18/387974818.db2.gz YVFIXWLCICKFMS-WEVVVXLNSA-N 1 2 225.282 3.287 20 0 BGADLO COc1cccc2c1cc[nH+]c2N(C)C1CCC1 ZINC000450359102 202142924 /nfs/dbraw/zinc/14/29/24/202142924.db2.gz VAJHLDLGWAQMFJ-UHFFFAOYSA-N 1 2 242.322 3.232 20 0 BGADLO COc1cccc2c1cc[nH+]c2N1CCC[C@H]1C ZINC000450363311 202142888 /nfs/dbraw/zinc/14/28/88/202142888.db2.gz UUJGFEQUCRKVKH-LLVKDONJSA-N 1 2 242.322 3.232 20 0 BGADLO COc1cccc2c1cc[nH+]c2N1CCC[C@@H]1C ZINC000450363313 202143196 /nfs/dbraw/zinc/14/31/96/202143196.db2.gz UUJGFEQUCRKVKH-NSHDSACASA-N 1 2 242.322 3.232 20 0 BGADLO FC(F)C[N@@H+](CC1=CCCCC1)C1CC1 ZINC000450396319 202154757 /nfs/dbraw/zinc/15/47/57/202154757.db2.gz VTMMZEPHINRZDP-UHFFFAOYSA-N 1 2 215.287 3.216 20 0 BGADLO FC(F)C[N@H+](CC1=CCCCC1)C1CC1 ZINC000450396319 202154756 /nfs/dbraw/zinc/15/47/56/202154756.db2.gz VTMMZEPHINRZDP-UHFFFAOYSA-N 1 2 215.287 3.216 20 0 BGADLO Cc1cccc(Cl)c1C[N@@H+](C)Cc1cc[nH]n1 ZINC000450412221 202158474 /nfs/dbraw/zinc/15/84/74/202158474.db2.gz ZADUIVVMMYQGLF-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cccc(Cl)c1C[N@H+](C)Cc1cc[nH]n1 ZINC000450412221 202158472 /nfs/dbraw/zinc/15/84/72/202158472.db2.gz ZADUIVVMMYQGLF-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO C[N@@H+](Cc1nccs1)CC1=CCCCC1 ZINC000450459130 202173762 /nfs/dbraw/zinc/17/37/62/202173762.db2.gz ZTJZPFDEJBTXBY-UHFFFAOYSA-N 1 2 222.357 3.075 20 0 BGADLO C[N@H+](Cc1nccs1)CC1=CCCCC1 ZINC000450459130 202173757 /nfs/dbraw/zinc/17/37/57/202173757.db2.gz ZTJZPFDEJBTXBY-UHFFFAOYSA-N 1 2 222.357 3.075 20 0 BGADLO CC(C)[N@H+](CC1=CCCCC1)CC(F)F ZINC000450501556 202186748 /nfs/dbraw/zinc/18/67/48/202186748.db2.gz QIORTAMUWWUMDK-UHFFFAOYSA-N 1 2 217.303 3.462 20 0 BGADLO CC(C)[N@@H+](CC1=CCCCC1)CC(F)F ZINC000450501556 202186745 /nfs/dbraw/zinc/18/67/45/202186745.db2.gz QIORTAMUWWUMDK-UHFFFAOYSA-N 1 2 217.303 3.462 20 0 BGADLO CC(C)[N@@H+](CC[C@H]1CCOC1)c1ccccc1 ZINC000450513304 202188727 /nfs/dbraw/zinc/18/87/27/202188727.db2.gz AFAYVAITMZJHAL-AWEZNQCLSA-N 1 2 233.355 3.328 20 0 BGADLO CC(C)[N@H+](CC[C@H]1CCOC1)c1ccccc1 ZINC000450513304 202188725 /nfs/dbraw/zinc/18/87/25/202188725.db2.gz AFAYVAITMZJHAL-AWEZNQCLSA-N 1 2 233.355 3.328 20 0 BGADLO CC(C)[N@@H+](CC[C@@H]1CCOC1)c1ccccc1 ZINC000450513305 202189252 /nfs/dbraw/zinc/18/92/52/202189252.db2.gz AFAYVAITMZJHAL-CQSZACIVSA-N 1 2 233.355 3.328 20 0 BGADLO CC(C)[N@H+](CC[C@@H]1CCOC1)c1ccccc1 ZINC000450513305 202189248 /nfs/dbraw/zinc/18/92/48/202189248.db2.gz AFAYVAITMZJHAL-CQSZACIVSA-N 1 2 233.355 3.328 20 0 BGADLO CC[N@@H+](CC[C@H]1CCOC1)c1cccc(C)c1 ZINC000450519158 202189835 /nfs/dbraw/zinc/18/98/35/202189835.db2.gz LLRRWYIEHWGHHH-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](CC[C@H]1CCOC1)c1cccc(C)c1 ZINC000450519158 202189831 /nfs/dbraw/zinc/18/98/31/202189831.db2.gz LLRRWYIEHWGHHH-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@@H+](CC[C@@H]1CCOC1)c1cccc(C)c1 ZINC000450519160 202189564 /nfs/dbraw/zinc/18/95/64/202189564.db2.gz LLRRWYIEHWGHHH-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](CC[C@@H]1CCOC1)c1cccc(C)c1 ZINC000450519160 202189561 /nfs/dbraw/zinc/18/95/61/202189561.db2.gz LLRRWYIEHWGHHH-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO Cc1cc[nH+]c(NCCCC(C)(F)F)c1Cl ZINC000450551524 387799852 /nfs/dbraw/zinc/79/98/52/387799852.db2.gz FNXCEXHWJZAVOE-UHFFFAOYSA-N 1 2 248.704 3.313 20 0 BGADLO CC(C)c1cc(N2CC3(CC3)C2)nc(C(C)C)[nH+]1 ZINC000450576493 202203518 /nfs/dbraw/zinc/20/35/18/202203518.db2.gz AHAMMRGBONVZIW-UHFFFAOYSA-N 1 2 245.370 3.324 20 0 BGADLO c1ccc([N@@H+](CC[C@H]2CCOC2)CC2CC2)cc1 ZINC000450584144 202205406 /nfs/dbraw/zinc/20/54/06/202205406.db2.gz WGQKNXYJCQTYTC-HNNXBMFYSA-N 1 2 245.366 3.330 20 0 BGADLO c1ccc([N@H+](CC[C@H]2CCOC2)CC2CC2)cc1 ZINC000450584144 202205402 /nfs/dbraw/zinc/20/54/02/202205402.db2.gz WGQKNXYJCQTYTC-HNNXBMFYSA-N 1 2 245.366 3.330 20 0 BGADLO c1ccc([N@@H+](CC[C@@H]2CCOC2)CC2CC2)cc1 ZINC000450584153 202205576 /nfs/dbraw/zinc/20/55/76/202205576.db2.gz WGQKNXYJCQTYTC-OAHLLOKOSA-N 1 2 245.366 3.330 20 0 BGADLO c1ccc([N@H+](CC[C@@H]2CCOC2)CC2CC2)cc1 ZINC000450584153 202205573 /nfs/dbraw/zinc/20/55/73/202205573.db2.gz WGQKNXYJCQTYTC-OAHLLOKOSA-N 1 2 245.366 3.330 20 0 BGADLO CCC[C@@H](CNc1[nH+]ccc(C)c1Cl)OC ZINC000450585461 202204440 /nfs/dbraw/zinc/20/44/40/202204440.db2.gz QHGNBEPDWUMOGZ-JTQLQIEISA-N 1 2 242.750 3.270 20 0 BGADLO CCC[C@H](CNc1[nH+]ccc(C)c1Cl)OC ZINC000450585466 202204872 /nfs/dbraw/zinc/20/48/72/202204872.db2.gz QHGNBEPDWUMOGZ-SNVBAGLBSA-N 1 2 242.750 3.270 20 0 BGADLO Cc1ccccc1CCN(C)c1cccc[nH+]1 ZINC000450597434 202207314 /nfs/dbraw/zinc/20/73/14/202207314.db2.gz ZBFPSPBGIQVICY-UHFFFAOYSA-N 1 2 226.323 3.069 20 0 BGADLO Cc1cc(N2CC[C@H](F)C2)c2cccc(F)c2[nH+]1 ZINC000450602915 202208890 /nfs/dbraw/zinc/20/88/90/202208890.db2.gz FOPFORJEEZZMPK-JTQLQIEISA-N 1 2 248.276 3.231 20 0 BGADLO Cc1cc(N2CC[C@@H](F)C2)c2cccc(F)c2[nH+]1 ZINC000450602916 202208872 /nfs/dbraw/zinc/20/88/72/202208872.db2.gz FOPFORJEEZZMPK-SNVBAGLBSA-N 1 2 248.276 3.231 20 0 BGADLO CCC(=O)CCC[N@@H+](CC(F)F)CC1CCC1 ZINC000450635511 202220104 /nfs/dbraw/zinc/22/01/04/202220104.db2.gz KGXXKTOSETZPBK-UHFFFAOYSA-N 1 2 247.329 3.113 20 0 BGADLO CCC(=O)CCC[N@H+](CC(F)F)CC1CCC1 ZINC000450635511 202220100 /nfs/dbraw/zinc/22/01/00/202220100.db2.gz KGXXKTOSETZPBK-UHFFFAOYSA-N 1 2 247.329 3.113 20 0 BGADLO FC1=CCC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000450647407 202224131 /nfs/dbraw/zinc/22/41/31/202224131.db2.gz UECZGQGQQHWOQN-UHFFFAOYSA-N 1 2 247.313 3.287 20 0 BGADLO FC1=CCC[N@H+](Cc2ccccc2OC2CC2)C1 ZINC000450647407 202224127 /nfs/dbraw/zinc/22/41/27/202224127.db2.gz UECZGQGQQHWOQN-UHFFFAOYSA-N 1 2 247.313 3.287 20 0 BGADLO CCC1(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000450652120 202224578 /nfs/dbraw/zinc/22/45/78/202224578.db2.gz UCVRYHUCDRSGLC-UHFFFAOYSA-N 1 2 217.316 3.017 20 0 BGADLO Cc1cc[nH+]c(N[C@@H](C)CCCCO)c1Cl ZINC000450653631 202228398 /nfs/dbraw/zinc/22/83/98/202228398.db2.gz SWWWXTFFMXJHEG-JTQLQIEISA-N 1 2 242.750 3.006 20 0 BGADLO Cc1cc[nH+]c(N[C@H](C)CCCCO)c1Cl ZINC000450653632 202229363 /nfs/dbraw/zinc/22/93/63/202229363.db2.gz SWWWXTFFMXJHEG-SNVBAGLBSA-N 1 2 242.750 3.006 20 0 BGADLO CC(C)=CCC[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000450674010 398168505 /nfs/dbraw/zinc/16/85/05/398168505.db2.gz LQPIBPYCCQIGHE-LLVKDONJSA-N 1 2 219.332 3.332 20 0 BGADLO CC(C)=CCC[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000450674011 398168514 /nfs/dbraw/zinc/16/85/14/398168514.db2.gz LQPIBPYCCQIGHE-NSHDSACASA-N 1 2 219.332 3.332 20 0 BGADLO FC1(F)CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000450689036 202235139 /nfs/dbraw/zinc/23/51/39/202235139.db2.gz DEASLVINOQCCFX-XBXARRHUSA-N 1 2 237.293 3.431 20 0 BGADLO FC1(F)CC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000450689036 202235136 /nfs/dbraw/zinc/23/51/36/202235136.db2.gz DEASLVINOQCCFX-XBXARRHUSA-N 1 2 237.293 3.431 20 0 BGADLO FC1(F)CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC000450689037 202235375 /nfs/dbraw/zinc/23/53/75/202235375.db2.gz DEASLVINOQCCFX-YWEYNIOJSA-N 1 2 237.293 3.431 20 0 BGADLO FC1(F)CC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000450689037 202235371 /nfs/dbraw/zinc/23/53/71/202235371.db2.gz DEASLVINOQCCFX-YWEYNIOJSA-N 1 2 237.293 3.431 20 0 BGADLO FC1(F)CC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000450689456 202233872 /nfs/dbraw/zinc/23/38/72/202233872.db2.gz FDUMLAZYZXVFBZ-UHFFFAOYSA-N 1 2 245.700 3.224 20 0 BGADLO FC1(F)CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000450689456 202233869 /nfs/dbraw/zinc/23/38/69/202233869.db2.gz FDUMLAZYZXVFBZ-UHFFFAOYSA-N 1 2 245.700 3.224 20 0 BGADLO FC1(F)CC[N@@H+](CCC2=CCCCC2)C1 ZINC000450698740 386611174 /nfs/dbraw/zinc/61/11/74/386611174.db2.gz WSPJVVNZNVEQHK-UHFFFAOYSA-N 1 2 215.287 3.218 20 0 BGADLO FC1(F)CC[N@H+](CCC2=CCCCC2)C1 ZINC000450698740 386611168 /nfs/dbraw/zinc/61/11/68/386611168.db2.gz WSPJVVNZNVEQHK-UHFFFAOYSA-N 1 2 215.287 3.218 20 0 BGADLO Cc1cc[nH+]c(N[C@H](C)CC(C)(C)O)c1Cl ZINC000450698827 202237619 /nfs/dbraw/zinc/23/76/19/202237619.db2.gz XURBDRBEYDYBFA-SECBINFHSA-N 1 2 242.750 3.005 20 0 BGADLO Cc1cc[nH+]c(N[C@@H](C)CC(C)(C)O)c1Cl ZINC000450698828 202237093 /nfs/dbraw/zinc/23/70/93/202237093.db2.gz XURBDRBEYDYBFA-VIFPVBQESA-N 1 2 242.750 3.005 20 0 BGADLO CC(F)(F)CCSc1[nH+]cc2ccccn21 ZINC000450703620 202238795 /nfs/dbraw/zinc/23/87/95/202238795.db2.gz CUSLOLSQJVUAIU-UHFFFAOYSA-N 1 2 242.294 3.472 20 0 BGADLO CC[C@](C)(CNc1[nH+]ccc(C)c1Cl)OC ZINC000450717232 202245101 /nfs/dbraw/zinc/24/51/01/202245101.db2.gz PJNKXQYXCYQHHU-GFCCVEGCSA-N 1 2 242.750 3.270 20 0 BGADLO CC[C@@](C)(CNc1[nH+]ccc(C)c1Cl)OC ZINC000450717233 202239250 /nfs/dbraw/zinc/23/92/50/202239250.db2.gz PJNKXQYXCYQHHU-LBPRGKRZSA-N 1 2 242.750 3.270 20 0 BGADLO Cc1csc(CNc2cc[nH+]c(C(C)C)n2)c1 ZINC000450721888 202243458 /nfs/dbraw/zinc/24/34/58/202243458.db2.gz YWVFBEJWXXRADA-UHFFFAOYSA-N 1 2 247.367 3.004 20 0 BGADLO CO[C@@](C)(CNc1cccc[nH+]1)c1ccccc1 ZINC000450723773 202246140 /nfs/dbraw/zinc/24/61/40/202246140.db2.gz DIDUITPPNHCDEJ-HNNXBMFYSA-N 1 2 242.322 3.055 20 0 BGADLO CO[C@](C)(CNc1cccc[nH+]1)c1ccccc1 ZINC000450723775 202246099 /nfs/dbraw/zinc/24/60/99/202246099.db2.gz DIDUITPPNHCDEJ-OAHLLOKOSA-N 1 2 242.322 3.055 20 0 BGADLO CC[N@@H+](CCc1ccc(Cl)cc1)CC(F)F ZINC000450736610 202251271 /nfs/dbraw/zinc/25/12/71/202251271.db2.gz JABKUHBGPZDHJO-UHFFFAOYSA-N 1 2 247.716 3.470 20 0 BGADLO CC[N@H+](CCc1ccc(Cl)cc1)CC(F)F ZINC000450736610 202251270 /nfs/dbraw/zinc/25/12/70/202251270.db2.gz JABKUHBGPZDHJO-UHFFFAOYSA-N 1 2 247.716 3.470 20 0 BGADLO c1ccc(N2CCCc3ccccc3CC2)[nH+]c1 ZINC000450806211 202272802 /nfs/dbraw/zinc/27/28/02/202272802.db2.gz DNPMLFXHKNDZGK-UHFFFAOYSA-N 1 2 238.334 3.077 20 0 BGADLO Cc1cc(N2CC[C@@H]2C(C)C)nc(C(C)C)[nH+]1 ZINC000450806536 206105092 /nfs/dbraw/zinc/10/50/92/206105092.db2.gz FRDBJQVVOYEAMJ-GFCCVEGCSA-N 1 2 233.359 3.143 20 0 BGADLO Cc1cc(N2CC[C@H]2C(C)C)nc(C(C)C)[nH+]1 ZINC000450806537 202272881 /nfs/dbraw/zinc/27/28/81/202272881.db2.gz FRDBJQVVOYEAMJ-LBPRGKRZSA-N 1 2 233.359 3.143 20 0 BGADLO COc1cccc([C@@H]2C[C@H]2Nc2cccc[nH+]2)c1 ZINC000450869133 533760310 /nfs/dbraw/zinc/76/03/10/533760310.db2.gz WWZDTBZMDBBHPQ-UONOGXRCSA-N 1 2 240.306 3.058 20 0 BGADLO CC(C)c1nc(NC2(C3(C)CC3)CC2)cc[nH+]1 ZINC000450873049 202295101 /nfs/dbraw/zinc/29/51/01/202295101.db2.gz CMEKLZHGKOLOKV-UHFFFAOYSA-N 1 2 231.343 3.345 20 0 BGADLO Cc1cc(NC2(C3(C)CC3)CC2)nc(C2CC2)[nH+]1 ZINC000450878849 202295830 /nfs/dbraw/zinc/29/58/30/202295830.db2.gz JLMMPLZYLDDZSM-UHFFFAOYSA-N 1 2 243.354 3.407 20 0 BGADLO CC1(C2(Nc3cc[nH+]c(C4CC4)n3)CC2)CC1 ZINC000450885382 202296790 /nfs/dbraw/zinc/29/67/90/202296790.db2.gz UPSMOWBUUVBCOU-UHFFFAOYSA-N 1 2 229.327 3.099 20 0 BGADLO Cc1cccc(Cl)c1COCc1[nH]cc[nH+]1 ZINC000450891877 202300898 /nfs/dbraw/zinc/30/08/98/202300898.db2.gz BUYULTKFHQHGJK-UHFFFAOYSA-N 1 2 236.702 3.088 20 0 BGADLO CC[C@@H]1CC[C@H](C)N(c2cccc[nH+]2)C1 ZINC000450895936 202304217 /nfs/dbraw/zinc/30/42/17/202304217.db2.gz LJZJRTMYMHJHMC-NWDGAFQWSA-N 1 2 204.317 3.097 20 0 BGADLO CC[C@@H]1CC[C@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000450900775 202302967 /nfs/dbraw/zinc/30/29/67/202302967.db2.gz GVRRFQJLBNPEGZ-NWDGAFQWSA-N 1 2 245.370 3.369 20 0 BGADLO Cc1cc(N(C)Cc2ccc(C)c(C)c2)nc[nH+]1 ZINC000450934718 202314304 /nfs/dbraw/zinc/31/43/04/202314304.db2.gz SGGWDLFKMLJDPT-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO Cc1ccc(CN(C)c2cc[nH+]c(C)n2)cc1C ZINC000450935967 202315451 /nfs/dbraw/zinc/31/54/51/202315451.db2.gz USRGPNLGAYYKIL-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO CC(C)(C)C[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000450938055 202313845 /nfs/dbraw/zinc/31/38/45/202313845.db2.gz AHAKXXSTFGESBI-GFCCVEGCSA-N 1 2 218.344 3.344 20 0 BGADLO CC(C)(C)C[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000450938056 202315079 /nfs/dbraw/zinc/31/50/79/202315079.db2.gz AHAKXXSTFGESBI-LBPRGKRZSA-N 1 2 218.344 3.344 20 0 BGADLO Cc1cc(N2CC[C@H](CC(C)(C)C)C2)nc[nH+]1 ZINC000450944817 202315829 /nfs/dbraw/zinc/31/58/29/202315829.db2.gz KGQDJLBYCNHBMM-GFCCVEGCSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1cc(N2CC[C@@H](CC(C)(C)C)C2)nc[nH+]1 ZINC000450944818 202316067 /nfs/dbraw/zinc/31/60/67/202316067.db2.gz KGQDJLBYCNHBMM-LBPRGKRZSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1nc(N2CC[C@H](CC(C)(C)C)C2)cc[nH+]1 ZINC000450949184 202318951 /nfs/dbraw/zinc/31/89/51/202318951.db2.gz RXIOOTADVILEOV-GFCCVEGCSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1nc(N2CC[C@@H](CC(C)(C)C)C2)cc[nH+]1 ZINC000450949185 202319711 /nfs/dbraw/zinc/31/97/11/202319711.db2.gz RXIOOTADVILEOV-LBPRGKRZSA-N 1 2 233.359 3.048 20 0 BGADLO Cc1cccc([C@@H](C)Nc2cc(C)[nH+]cn2)c1 ZINC000450949460 202318696 /nfs/dbraw/zinc/31/86/96/202318696.db2.gz SKWBYSQZQSXHNU-GFCCVEGCSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1cccc([C@H](C)Nc2cc(C)[nH+]cn2)c1 ZINC000450949461 202318537 /nfs/dbraw/zinc/31/85/37/202318537.db2.gz SKWBYSQZQSXHNU-LBPRGKRZSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1cc(N2CC3(CCCC3)[C@@H]2C(C)C)nc[nH+]1 ZINC000450954635 202319754 /nfs/dbraw/zinc/31/97/54/202319754.db2.gz NWQRLCPDOHPYJE-AWEZNQCLSA-N 1 2 245.370 3.190 20 0 BGADLO Cc1cc(N2CC3(CCCC3)[C@H]2C(C)C)nc[nH+]1 ZINC000450954636 202320080 /nfs/dbraw/zinc/32/00/80/202320080.db2.gz NWQRLCPDOHPYJE-CQSZACIVSA-N 1 2 245.370 3.190 20 0 BGADLO Cc1nc(N2CC3(CCCC3)[C@@H]2C(C)C)cc[nH+]1 ZINC000450957608 202318814 /nfs/dbraw/zinc/31/88/14/202318814.db2.gz UNHFJYUORYSQHT-AWEZNQCLSA-N 1 2 245.370 3.190 20 0 BGADLO Cc1nc(N2CC3(CCCC3)[C@H]2C(C)C)cc[nH+]1 ZINC000450957609 202318421 /nfs/dbraw/zinc/31/84/21/202318421.db2.gz UNHFJYUORYSQHT-CQSZACIVSA-N 1 2 245.370 3.190 20 0 BGADLO Cc1ccc(CSC2CCC2)c(C)[nH+]1 ZINC000450984080 202328187 /nfs/dbraw/zinc/32/81/87/202328187.db2.gz BYFAJBBRYHNXHR-UHFFFAOYSA-N 1 2 207.342 3.484 20 0 BGADLO Cn1c2ccccc2[nH+]c1CCSC1CCC1 ZINC000450985515 202327927 /nfs/dbraw/zinc/32/79/27/202327927.db2.gz JRQQRWWTGRPUQP-UHFFFAOYSA-N 1 2 246.379 3.402 20 0 BGADLO Cc1ccc2[nH+]c(CSC3CCC3)cn2c1 ZINC000450985743 202326632 /nfs/dbraw/zinc/32/66/32/202326632.db2.gz KULCVGFQTQTDRV-UHFFFAOYSA-N 1 2 232.352 3.428 20 0 BGADLO Cc1cccc2[nH+]c(CSC3CCC3)cn21 ZINC000450986027 202327704 /nfs/dbraw/zinc/32/77/04/202327704.db2.gz MZXPXNBWPVDNOE-UHFFFAOYSA-N 1 2 232.352 3.428 20 0 BGADLO COc1cc(C)[nH+]c(CSC2CCC2)c1 ZINC000450986340 202326613 /nfs/dbraw/zinc/32/66/13/202326613.db2.gz OOBOXKNWLTZXPS-UHFFFAOYSA-N 1 2 223.341 3.184 20 0 BGADLO c1[nH+]c2ccccn2c1CSC1CCC1 ZINC000450986548 202326572 /nfs/dbraw/zinc/32/65/72/202326572.db2.gz PUCFCYZMGHFJEX-UHFFFAOYSA-N 1 2 218.325 3.120 20 0 BGADLO Cc1[nH+]c2ccccn2c1CSC1CCC1 ZINC000450986696 202327412 /nfs/dbraw/zinc/32/74/12/202327412.db2.gz QNPPKXIJGZNNLM-UHFFFAOYSA-N 1 2 232.352 3.428 20 0 BGADLO Cc1cccn2cc(CSC3CCC3)[nH+]c12 ZINC000450987105 202326504 /nfs/dbraw/zinc/32/65/04/202326504.db2.gz UIMQVPZRHNSKIK-UHFFFAOYSA-N 1 2 232.352 3.428 20 0 BGADLO CC(C)n1cc[nH+]c1CSC1CCC1 ZINC000450987730 202327056 /nfs/dbraw/zinc/32/70/56/202327056.db2.gz XSYVORWVPXVIHM-UHFFFAOYSA-N 1 2 210.346 3.250 20 0 BGADLO COc1c(C)c[nH+]c(CSC2CCC2)c1C ZINC000450988861 202329521 /nfs/dbraw/zinc/32/95/21/202329521.db2.gz CAIOLAUUJSIBTP-UHFFFAOYSA-N 1 2 237.368 3.493 20 0 BGADLO FC(F)[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC000450993898 202330288 /nfs/dbraw/zinc/33/02/88/202330288.db2.gz XFUZFQJICFZDJG-LLVKDONJSA-N 1 2 215.287 3.216 20 0 BGADLO FC(F)[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC000450993898 202330285 /nfs/dbraw/zinc/33/02/85/202330285.db2.gz XFUZFQJICFZDJG-LLVKDONJSA-N 1 2 215.287 3.216 20 0 BGADLO c1c(CSC2CCC2)[nH+]c2ccccn12 ZINC000450995910 202330212 /nfs/dbraw/zinc/33/02/12/202330212.db2.gz SZZQWANXLWXRMG-UHFFFAOYSA-N 1 2 218.325 3.120 20 0 BGADLO CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](F)C1 ZINC000451181312 202370481 /nfs/dbraw/zinc/37/04/81/202370481.db2.gz DYHMNUSZITVLQA-GWCFXTLKSA-N 1 2 243.272 3.460 20 0 BGADLO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](F)C1 ZINC000451181312 202370480 /nfs/dbraw/zinc/37/04/80/202370480.db2.gz DYHMNUSZITVLQA-GWCFXTLKSA-N 1 2 243.272 3.460 20 0 BGADLO CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](F)C1 ZINC000451181313 202369108 /nfs/dbraw/zinc/36/91/08/202369108.db2.gz DYHMNUSZITVLQA-GXFFZTMASA-N 1 2 243.272 3.460 20 0 BGADLO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](F)C1 ZINC000451181313 202369105 /nfs/dbraw/zinc/36/91/05/202369105.db2.gz DYHMNUSZITVLQA-GXFFZTMASA-N 1 2 243.272 3.460 20 0 BGADLO CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](F)C1 ZINC000451181315 202370757 /nfs/dbraw/zinc/37/07/57/202370757.db2.gz DYHMNUSZITVLQA-MFKMUULPSA-N 1 2 243.272 3.460 20 0 BGADLO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](F)C1 ZINC000451181315 202370753 /nfs/dbraw/zinc/37/07/53/202370753.db2.gz DYHMNUSZITVLQA-MFKMUULPSA-N 1 2 243.272 3.460 20 0 BGADLO CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](F)C1 ZINC000451181317 385669841 /nfs/dbraw/zinc/66/98/41/385669841.db2.gz DYHMNUSZITVLQA-ZWNOBZJWSA-N 1 2 243.272 3.460 20 0 BGADLO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](F)C1 ZINC000451181317 385669827 /nfs/dbraw/zinc/66/98/27/385669827.db2.gz DYHMNUSZITVLQA-ZWNOBZJWSA-N 1 2 243.272 3.460 20 0 BGADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](F)C1 ZINC000451185834 202372466 /nfs/dbraw/zinc/37/24/66/202372466.db2.gz LWNCERGGDSCQKX-PSASIEDQSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](F)C1 ZINC000451185834 202372462 /nfs/dbraw/zinc/37/24/62/202372462.db2.gz LWNCERGGDSCQKX-PSASIEDQSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](F)C1 ZINC000451185837 202371720 /nfs/dbraw/zinc/37/17/20/202371720.db2.gz LWNCERGGDSCQKX-SCZZXKLOSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](F)C1 ZINC000451185837 202371716 /nfs/dbraw/zinc/37/17/16/202371716.db2.gz LWNCERGGDSCQKX-SCZZXKLOSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](F)C1 ZINC000451185839 202372625 /nfs/dbraw/zinc/37/26/25/202372625.db2.gz LWNCERGGDSCQKX-WCBMZHEXSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](F)C1 ZINC000451185839 202372623 /nfs/dbraw/zinc/37/26/23/202372623.db2.gz LWNCERGGDSCQKX-WCBMZHEXSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@H](F)C1 ZINC000451185841 202373841 /nfs/dbraw/zinc/37/38/41/202373841.db2.gz LWNCERGGDSCQKX-WPRPVWTQSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](F)C1 ZINC000451185841 202373838 /nfs/dbraw/zinc/37/38/38/202373838.db2.gz LWNCERGGDSCQKX-WPRPVWTQSA-N 1 2 229.245 3.070 20 0 BGADLO Cc1ccc(C[N@H+]2CC[C@@H](F)C2)c(Cl)c1 ZINC000451186940 202373405 /nfs/dbraw/zinc/37/34/05/202373405.db2.gz CCVTVUDXJPDSSX-LLVKDONJSA-N 1 2 227.710 3.192 20 0 BGADLO Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(Cl)c1 ZINC000451186940 202373401 /nfs/dbraw/zinc/37/34/01/202373401.db2.gz CCVTVUDXJPDSSX-LLVKDONJSA-N 1 2 227.710 3.192 20 0 BGADLO Cc1ccc(C[N@H+]2CC[C@H](F)C2)c(Cl)c1 ZINC000451186943 202374068 /nfs/dbraw/zinc/37/40/68/202374068.db2.gz CCVTVUDXJPDSSX-NSHDSACASA-N 1 2 227.710 3.192 20 0 BGADLO Cc1ccc(C[N@@H+]2CC[C@H](F)C2)c(Cl)c1 ZINC000451186943 202374065 /nfs/dbraw/zinc/37/40/65/202374065.db2.gz CCVTVUDXJPDSSX-NSHDSACASA-N 1 2 227.710 3.192 20 0 BGADLO Fc1cccc(Cl)c1CC[N@@H+]1CC[C@@H](F)C1 ZINC000451189347 202372900 /nfs/dbraw/zinc/37/29/00/202372900.db2.gz PFZAMAAQHYVFAT-SECBINFHSA-N 1 2 245.700 3.065 20 0 BGADLO Fc1cccc(Cl)c1CC[N@H+]1CC[C@@H](F)C1 ZINC000451189347 202372897 /nfs/dbraw/zinc/37/28/97/202372897.db2.gz PFZAMAAQHYVFAT-SECBINFHSA-N 1 2 245.700 3.065 20 0 BGADLO Fc1cccc(Cl)c1CC[N@@H+]1CC[C@H](F)C1 ZINC000451189348 202373122 /nfs/dbraw/zinc/37/31/22/202373122.db2.gz PFZAMAAQHYVFAT-VIFPVBQESA-N 1 2 245.700 3.065 20 0 BGADLO Fc1cccc(Cl)c1CC[N@H+]1CC[C@H](F)C1 ZINC000451189348 202373120 /nfs/dbraw/zinc/37/31/20/202373120.db2.gz PFZAMAAQHYVFAT-VIFPVBQESA-N 1 2 245.700 3.065 20 0 BGADLO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](F)C1 ZINC000451192312 202374675 /nfs/dbraw/zinc/37/46/75/202374675.db2.gz SMZUCGLZYHHJOQ-BDAKNGLRSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](F)C1 ZINC000451192312 202374673 /nfs/dbraw/zinc/37/46/73/202374673.db2.gz SMZUCGLZYHHJOQ-BDAKNGLRSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](F)C1 ZINC000451192313 202374822 /nfs/dbraw/zinc/37/48/22/202374822.db2.gz SMZUCGLZYHHJOQ-DTWKUNHWSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](F)C1 ZINC000451192313 202374819 /nfs/dbraw/zinc/37/48/19/202374819.db2.gz SMZUCGLZYHHJOQ-DTWKUNHWSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@H](F)C1 ZINC000451192314 202376249 /nfs/dbraw/zinc/37/62/49/202376249.db2.gz SMZUCGLZYHHJOQ-IUCAKERBSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](F)C1 ZINC000451192314 202376246 /nfs/dbraw/zinc/37/62/46/202376246.db2.gz SMZUCGLZYHHJOQ-IUCAKERBSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](F)C1 ZINC000451192315 202377211 /nfs/dbraw/zinc/37/72/11/202377211.db2.gz SMZUCGLZYHHJOQ-RKDXNWHRSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](F)C1 ZINC000451192315 202377208 /nfs/dbraw/zinc/37/72/08/202377208.db2.gz SMZUCGLZYHHJOQ-RKDXNWHRSA-N 1 2 229.245 3.070 20 0 BGADLO Fc1ccc(Cl)c(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000451193362 202375859 /nfs/dbraw/zinc/37/58/59/202375859.db2.gz JNBPXVKNHVYRAC-JTQLQIEISA-N 1 2 231.673 3.023 20 0 BGADLO Fc1ccc(Cl)c(C[N@H+]2CC[C@H](F)C2)c1 ZINC000451193362 202375856 /nfs/dbraw/zinc/37/58/56/202375856.db2.gz JNBPXVKNHVYRAC-JTQLQIEISA-N 1 2 231.673 3.023 20 0 BGADLO Fc1ccc(Cl)c(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000451193363 202376201 /nfs/dbraw/zinc/37/62/01/202376201.db2.gz JNBPXVKNHVYRAC-SNVBAGLBSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1ccc(Cl)c(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000451193363 202376198 /nfs/dbraw/zinc/37/61/98/202376198.db2.gz JNBPXVKNHVYRAC-SNVBAGLBSA-N 1 2 231.673 3.023 20 0 BGADLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](F)C1 ZINC000451195153 202374360 /nfs/dbraw/zinc/37/43/60/202374360.db2.gz XHHBRMNHXZWAIM-PSASIEDQSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](F)C1 ZINC000451195153 202374357 /nfs/dbraw/zinc/37/43/57/202374357.db2.gz XHHBRMNHXZWAIM-PSASIEDQSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](F)C1 ZINC000451195154 202376655 /nfs/dbraw/zinc/37/66/55/202376655.db2.gz XHHBRMNHXZWAIM-SCZZXKLOSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](F)C1 ZINC000451195154 202376654 /nfs/dbraw/zinc/37/66/54/202376654.db2.gz XHHBRMNHXZWAIM-SCZZXKLOSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](F)C1 ZINC000451195155 202374479 /nfs/dbraw/zinc/37/44/79/202374479.db2.gz XHHBRMNHXZWAIM-WCBMZHEXSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](F)C1 ZINC000451195155 202374475 /nfs/dbraw/zinc/37/44/75/202374475.db2.gz XHHBRMNHXZWAIM-WCBMZHEXSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H](F)C1 ZINC000451195156 202375317 /nfs/dbraw/zinc/37/53/17/202375317.db2.gz XHHBRMNHXZWAIM-WPRPVWTQSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](F)C1 ZINC000451195156 202375314 /nfs/dbraw/zinc/37/53/14/202375314.db2.gz XHHBRMNHXZWAIM-WPRPVWTQSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](F)C1 ZINC000451195550 202376136 /nfs/dbraw/zinc/37/61/36/202376136.db2.gz XUZWSPDTPSNNCB-PSASIEDQSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](F)C1 ZINC000451195550 202376134 /nfs/dbraw/zinc/37/61/34/202376134.db2.gz XUZWSPDTPSNNCB-PSASIEDQSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](F)C1 ZINC000451195551 202377262 /nfs/dbraw/zinc/37/72/62/202377262.db2.gz XUZWSPDTPSNNCB-SCZZXKLOSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](F)C1 ZINC000451195551 202377259 /nfs/dbraw/zinc/37/72/59/202377259.db2.gz XUZWSPDTPSNNCB-SCZZXKLOSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](F)C1 ZINC000451195552 202375725 /nfs/dbraw/zinc/37/57/25/202375725.db2.gz XUZWSPDTPSNNCB-WCBMZHEXSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](F)C1 ZINC000451195552 202375722 /nfs/dbraw/zinc/37/57/22/202375722.db2.gz XUZWSPDTPSNNCB-WCBMZHEXSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@H](F)C1 ZINC000451195553 202376299 /nfs/dbraw/zinc/37/62/99/202376299.db2.gz XUZWSPDTPSNNCB-WPRPVWTQSA-N 1 2 229.245 3.070 20 0 BGADLO C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@H](F)C1 ZINC000451195553 202376297 /nfs/dbraw/zinc/37/62/97/202376297.db2.gz XUZWSPDTPSNNCB-WPRPVWTQSA-N 1 2 229.245 3.070 20 0 BGADLO Fc1cccc(C[N@@H+]2CC[C@@H](F)C2)c1Cl ZINC000451202620 385717225 /nfs/dbraw/zinc/71/72/25/385717225.db2.gz XPDPKRDVGQPPOX-SECBINFHSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1cccc(C[N@H+]2CC[C@@H](F)C2)c1Cl ZINC000451202620 385717220 /nfs/dbraw/zinc/71/72/20/385717220.db2.gz XPDPKRDVGQPPOX-SECBINFHSA-N 1 2 231.673 3.023 20 0 BGADLO Fc1cccc(C[N@@H+]2CC[C@H](F)C2)c1Cl ZINC000451202621 385716547 /nfs/dbraw/zinc/71/65/47/385716547.db2.gz XPDPKRDVGQPPOX-VIFPVBQESA-N 1 2 231.673 3.023 20 0 BGADLO Fc1cccc(C[N@H+]2CC[C@H](F)C2)c1Cl ZINC000451202621 385716540 /nfs/dbraw/zinc/71/65/40/385716540.db2.gz XPDPKRDVGQPPOX-VIFPVBQESA-N 1 2 231.673 3.023 20 0 BGADLO CCc1ncc(C[NH2+][C@@H](C)c2ccccc2F)o1 ZINC000451246382 202387360 /nfs/dbraw/zinc/38/73/60/202387360.db2.gz VYZSDJLBEJETLF-JTQLQIEISA-N 1 2 248.301 3.227 20 0 BGADLO CCc1ncc(C[NH2+][C@H](C)c2ccccc2F)o1 ZINC000451246384 202386307 /nfs/dbraw/zinc/38/63/07/202386307.db2.gz VYZSDJLBEJETLF-SNVBAGLBSA-N 1 2 248.301 3.227 20 0 BGADLO CCC[C@@H]([NH2+]CC(F)(F)F)C(C)(C)C ZINC000451427369 388272145 /nfs/dbraw/zinc/27/21/45/388272145.db2.gz XBYGWMHXMGETCH-MRVPVSSYSA-N 1 2 211.271 3.353 20 0 BGADLO CCC[C@H]([NH2+]CC(F)(F)F)C(C)(C)C ZINC000451427370 388272424 /nfs/dbraw/zinc/27/24/24/388272424.db2.gz XBYGWMHXMGETCH-QMMMGPOBSA-N 1 2 211.271 3.353 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2ccc(C)c(C)c2)o1 ZINC000452046084 387711691 /nfs/dbraw/zinc/71/16/91/387711691.db2.gz VCPYJJGRSJKMFV-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2ccc(C)c(C)c2)o1 ZINC000452046084 387711684 /nfs/dbraw/zinc/71/16/84/387711684.db2.gz VCPYJJGRSJKMFV-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)F)[C@H]1CCC[C@H](C)C1 ZINC000452065713 387723669 /nfs/dbraw/zinc/72/36/69/387723669.db2.gz IWBVFHZJHQLZFE-GUBZILKMSA-N 1 2 223.282 3.353 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)F)[C@@H]1CCC[C@H](C)C1 ZINC000452065714 387722380 /nfs/dbraw/zinc/72/23/80/387722380.db2.gz IWBVFHZJHQLZFE-LPEHRKFASA-N 1 2 223.282 3.353 20 0 BGADLO Cc1ccc2c(c1C)[N@@H+](CCC[C@@H](C)O)CCC2 ZINC000452069674 387723566 /nfs/dbraw/zinc/72/35/66/387723566.db2.gz FAGJIJKRRXBBSB-CYBMUJFWSA-N 1 2 247.382 3.217 20 0 BGADLO Cc1ccc2c(c1C)[N@H+](CCC[C@@H](C)O)CCC2 ZINC000452069674 387723563 /nfs/dbraw/zinc/72/35/63/387723563.db2.gz FAGJIJKRRXBBSB-CYBMUJFWSA-N 1 2 247.382 3.217 20 0 BGADLO Cc1ccc2c(c1C)[N@@H+](CCC[C@H](C)O)CCC2 ZINC000452069675 387721712 /nfs/dbraw/zinc/72/17/12/387721712.db2.gz FAGJIJKRRXBBSB-ZDUSSCGKSA-N 1 2 247.382 3.217 20 0 BGADLO Cc1ccc2c(c1C)[N@H+](CCC[C@H](C)O)CCC2 ZINC000452069675 387721706 /nfs/dbraw/zinc/72/17/06/387721706.db2.gz FAGJIJKRRXBBSB-ZDUSSCGKSA-N 1 2 247.382 3.217 20 0 BGADLO Cc1ccc2c(c1C)[N@H+](C[C@@H]1CCOC1)CCC2 ZINC000452073512 387724455 /nfs/dbraw/zinc/72/44/55/387724455.db2.gz XSNNOZWYEQHJPV-AWEZNQCLSA-N 1 2 245.366 3.093 20 0 BGADLO Cc1ccc2c(c1C)[N@@H+](C[C@@H]1CCOC1)CCC2 ZINC000452073512 387724451 /nfs/dbraw/zinc/72/44/51/387724451.db2.gz XSNNOZWYEQHJPV-AWEZNQCLSA-N 1 2 245.366 3.093 20 0 BGADLO Cc1ccc2c(c1C)[N@H+](C[C@H]1CCOC1)CCC2 ZINC000452073514 387724863 /nfs/dbraw/zinc/72/48/63/387724863.db2.gz XSNNOZWYEQHJPV-CQSZACIVSA-N 1 2 245.366 3.093 20 0 BGADLO Cc1ccc2c(c1C)[N@@H+](C[C@H]1CCOC1)CCC2 ZINC000452073514 387724857 /nfs/dbraw/zinc/72/48/57/387724857.db2.gz XSNNOZWYEQHJPV-CQSZACIVSA-N 1 2 245.366 3.093 20 0 BGADLO CC/C(C)=C\c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000453092886 387982527 /nfs/dbraw/zinc/98/25/27/387982527.db2.gz SMDYAMNSMIMUHW-YFHOEESVSA-N 1 2 243.310 3.177 20 0 BGADLO CCc1c[nH+]ccc1[C@H](C)[C@H](C)c1ccncn1 ZINC000453129890 387992868 /nfs/dbraw/zinc/99/28/68/387992868.db2.gz BKKWXPRFSKBKLW-NEPJUHHUSA-N 1 2 241.338 3.341 20 0 BGADLO CCc1c[nH+]ccc1[C@@H](C)[C@@H](C)c1ccncn1 ZINC000453129891 202703391 /nfs/dbraw/zinc/70/33/91/202703391.db2.gz BKKWXPRFSKBKLW-NWDGAFQWSA-N 1 2 241.338 3.341 20 0 BGADLO CCc1c[nH+]ccc1[C@@H](C)[C@H](C)c1ccncn1 ZINC000453129893 387992461 /nfs/dbraw/zinc/99/24/61/387992461.db2.gz BKKWXPRFSKBKLW-RYUDHWBXSA-N 1 2 241.338 3.341 20 0 BGADLO CCc1c[nH+]ccc1[C@H](C)[C@@H](C)c1ccncn1 ZINC000453129895 387992944 /nfs/dbraw/zinc/99/29/44/387992944.db2.gz BKKWXPRFSKBKLW-VXGBXAGGSA-N 1 2 241.338 3.341 20 0 BGADLO C[C@H](CCCc1cccnc1)Nc1cccc[nH+]1 ZINC000453172089 202705694 /nfs/dbraw/zinc/70/56/94/202705694.db2.gz GJEYORWVDHPVSL-CYBMUJFWSA-N 1 2 241.338 3.300 20 0 BGADLO C[C@@H](CCCc1cccnc1)Nc1cccc[nH+]1 ZINC000453172090 388002005 /nfs/dbraw/zinc/00/20/05/388002005.db2.gz GJEYORWVDHPVSL-ZDUSSCGKSA-N 1 2 241.338 3.300 20 0 BGADLO CC[C@H](Nc1ccc(C)[nH+]c1)c1ccncc1 ZINC000453174386 202705401 /nfs/dbraw/zinc/70/54/01/202705401.db2.gz NCGQXWDWYZMRCH-AWEZNQCLSA-N 1 2 227.311 3.348 20 0 BGADLO CC[C@@H](Nc1ccc(C)[nH+]c1)c1ccncc1 ZINC000453174387 388003399 /nfs/dbraw/zinc/00/33/99/388003399.db2.gz NCGQXWDWYZMRCH-CQSZACIVSA-N 1 2 227.311 3.348 20 0 BGADLO CCn1cc[nH+]c1[C@H](C)Nc1cscc1C ZINC000453174422 388003620 /nfs/dbraw/zinc/00/36/20/388003620.db2.gz NKAIFOPEOSAOKJ-JTQLQIEISA-N 1 2 235.356 3.446 20 0 BGADLO CCn1cc[nH+]c1[C@@H](C)Nc1cscc1C ZINC000453174423 202705657 /nfs/dbraw/zinc/70/56/57/202705657.db2.gz NKAIFOPEOSAOKJ-SNVBAGLBSA-N 1 2 235.356 3.446 20 0 BGADLO Cc1ccc(N[C@H](C2CC2)C2CCC2)c[nH+]1 ZINC000453179778 388002759 /nfs/dbraw/zinc/00/27/59/388002759.db2.gz XCIGJMMANKDDEB-AWEZNQCLSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1ccc(N[C@@H](C2CC2)C2CCC2)c[nH+]1 ZINC000453179780 388002886 /nfs/dbraw/zinc/00/28/86/388002886.db2.gz XCIGJMMANKDDEB-CQSZACIVSA-N 1 2 216.328 3.381 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccon2)cs1 ZINC000453193435 388006823 /nfs/dbraw/zinc/00/68/23/388006823.db2.gz HXLSKKKLXWXEFC-NXEZZACHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccon2)cs1 ZINC000453193436 388006161 /nfs/dbraw/zinc/00/61/61/388006161.db2.gz HXLSKKKLXWXEFC-UWVGGRQHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccon2)cs1 ZINC000453193437 388006651 /nfs/dbraw/zinc/00/66/51/388006651.db2.gz HXLSKKKLXWXEFC-VHSXEESVSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccon2)cs1 ZINC000453193438 388006830 /nfs/dbraw/zinc/00/68/30/388006830.db2.gz HXLSKKKLXWXEFC-ZJUUUORDSA-N 1 2 236.340 3.456 20 0 BGADLO CCc1cc(N[C@@H]2CCn3cc[nH+]c32)ccc1F ZINC000453214336 388011145 /nfs/dbraw/zinc/01/11/45/388011145.db2.gz QUARRWNMWYZDJQ-CYBMUJFWSA-N 1 2 245.301 3.142 20 0 BGADLO CCc1cc(N[C@H]2CCn3cc[nH+]c32)ccc1F ZINC000453214337 388012104 /nfs/dbraw/zinc/01/21/04/388012104.db2.gz QUARRWNMWYZDJQ-ZDUSSCGKSA-N 1 2 245.301 3.142 20 0 BGADLO CC[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)C(F)F ZINC000453227010 388016571 /nfs/dbraw/zinc/01/65/71/388016571.db2.gz AARFAOAHOGYKJH-NEPJUHHUSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C(F)F ZINC000453227011 388016013 /nfs/dbraw/zinc/01/60/13/388016013.db2.gz AARFAOAHOGYKJH-NWDGAFQWSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)C(F)F ZINC000453227012 388016150 /nfs/dbraw/zinc/01/61/50/388016150.db2.gz AARFAOAHOGYKJH-RYUDHWBXSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)C(F)F ZINC000453227013 388016169 /nfs/dbraw/zinc/01/61/69/388016169.db2.gz AARFAOAHOGYKJH-VXGBXAGGSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1ccccc1OC)C(F)F ZINC000453227082 388016459 /nfs/dbraw/zinc/01/64/59/388016459.db2.gz AKPMLWBSBXEUKZ-GXSJLCMTSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1ccccc1OC)C(F)F ZINC000453227083 388015681 /nfs/dbraw/zinc/01/56/81/388015681.db2.gz AKPMLWBSBXEUKZ-KOLCDFICSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1ccccc1OC)C(F)F ZINC000453227084 202712203 /nfs/dbraw/zinc/71/22/03/202712203.db2.gz AKPMLWBSBXEUKZ-MWLCHTKSSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1ccccc1OC)C(F)F ZINC000453227085 388016594 /nfs/dbraw/zinc/01/65/94/388016594.db2.gz AKPMLWBSBXEUKZ-ONGXEEELSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)C(F)F ZINC000453229552 488186397 /nfs/dbraw/zinc/18/63/97/488186397.db2.gz DEVMCJIXQGXTTQ-NEPJUHHUSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C(F)F ZINC000453229557 488186547 /nfs/dbraw/zinc/18/65/47/488186547.db2.gz DEVMCJIXQGXTTQ-NWDGAFQWSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C(F)F ZINC000453229561 488186336 /nfs/dbraw/zinc/18/63/36/488186336.db2.gz DEVMCJIXQGXTTQ-RYUDHWBXSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C(F)F ZINC000453229564 488186349 /nfs/dbraw/zinc/18/63/49/488186349.db2.gz DEVMCJIXQGXTTQ-VXGBXAGGSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1cncc(C)c1)C(F)F ZINC000453230524 388017486 /nfs/dbraw/zinc/01/74/86/388017486.db2.gz FJLDBDOUEGNAQS-GXSJLCMTSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1cncc(C)c1)C(F)F ZINC000453230526 388018105 /nfs/dbraw/zinc/01/81/05/388018105.db2.gz FJLDBDOUEGNAQS-KOLCDFICSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1cncc(C)c1)C(F)F ZINC000453230527 388017795 /nfs/dbraw/zinc/01/77/95/388017795.db2.gz FJLDBDOUEGNAQS-MWLCHTKSSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1cncc(C)c1)C(F)F ZINC000453230529 388017610 /nfs/dbraw/zinc/01/76/10/388017610.db2.gz FJLDBDOUEGNAQS-ONGXEEELSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1sc(C)nc1C)C(F)F ZINC000453243777 388023788 /nfs/dbraw/zinc/02/37/88/388023788.db2.gz JPPZJWVABDYUMG-APPZFPTMSA-N 1 2 248.342 3.454 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1sc(C)nc1C)C(F)F ZINC000453243782 388023117 /nfs/dbraw/zinc/02/31/17/388023117.db2.gz JPPZJWVABDYUMG-CBAPKCEASA-N 1 2 248.342 3.454 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1sc(C)nc1C)C(F)F ZINC000453243785 388023010 /nfs/dbraw/zinc/02/30/10/388023010.db2.gz JPPZJWVABDYUMG-IONNQARKSA-N 1 2 248.342 3.454 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1sc(C)nc1C)C(F)F ZINC000453243787 388024195 /nfs/dbraw/zinc/02/41/95/388024195.db2.gz JPPZJWVABDYUMG-VXNVDRBHSA-N 1 2 248.342 3.454 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1)C(F)F ZINC000453245534 388023029 /nfs/dbraw/zinc/02/30/29/388023029.db2.gz KYOLYJGFKSYEEV-BXKDBHETSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1)C(F)F ZINC000453245536 388023810 /nfs/dbraw/zinc/02/38/10/388023810.db2.gz KYOLYJGFKSYEEV-CABZTGNLSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1)C(F)F ZINC000453245537 388023505 /nfs/dbraw/zinc/02/35/05/388023505.db2.gz KYOLYJGFKSYEEV-JOYOIKCWSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1)C(F)F ZINC000453245539 388023982 /nfs/dbraw/zinc/02/39/82/388023982.db2.gz KYOLYJGFKSYEEV-SKDRFNHKSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1ccc(OC)cc1)C(F)F ZINC000453245612 386270686 /nfs/dbraw/zinc/27/06/86/386270686.db2.gz LLHUWUGPTFMZPQ-BXKDBHETSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1)C(F)F ZINC000453245613 386269919 /nfs/dbraw/zinc/26/99/19/386269919.db2.gz LLHUWUGPTFMZPQ-CABZTGNLSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)cc1)C(F)F ZINC000453245614 386269023 /nfs/dbraw/zinc/26/90/23/386269023.db2.gz LLHUWUGPTFMZPQ-JOYOIKCWSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1ccc(OC)cc1)C(F)F ZINC000453245615 386270281 /nfs/dbraw/zinc/27/02/81/386270281.db2.gz LLHUWUGPTFMZPQ-SKDRFNHKSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)C(F)F ZINC000453245694 388023740 /nfs/dbraw/zinc/02/37/40/388023740.db2.gz LTMAAGLRMPPDLF-BDAKNGLRSA-N 1 2 217.259 3.282 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)C(F)F ZINC000453245695 388024175 /nfs/dbraw/zinc/02/41/75/388024175.db2.gz LTMAAGLRMPPDLF-DTWKUNHWSA-N 1 2 217.259 3.282 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)C(F)F ZINC000453245697 388023298 /nfs/dbraw/zinc/02/32/98/388023298.db2.gz LTMAAGLRMPPDLF-IUCAKERBSA-N 1 2 217.259 3.282 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)C(F)F ZINC000453245698 388022990 /nfs/dbraw/zinc/02/29/90/388022990.db2.gz LTMAAGLRMPPDLF-RKDXNWHRSA-N 1 2 217.259 3.282 20 0 BGADLO CC[C@@H]([NH2+][C@@H]1CCCc2occc21)C(F)F ZINC000453246955 388025605 /nfs/dbraw/zinc/02/56/05/388025605.db2.gz NBYWHBUEXNBZII-NXEZZACHSA-N 1 2 229.270 3.290 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCCc2occc21)C(F)F ZINC000453246960 388024730 /nfs/dbraw/zinc/02/47/30/388024730.db2.gz NBYWHBUEXNBZII-UWVGGRQHSA-N 1 2 229.270 3.290 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCCc2occc21)C(F)F ZINC000453246963 388025054 /nfs/dbraw/zinc/02/50/54/388025054.db2.gz NBYWHBUEXNBZII-VHSXEESVSA-N 1 2 229.270 3.290 20 0 BGADLO CC[C@@H]([NH2+][C@H]1CCCc2occc21)C(F)F ZINC000453246966 388025183 /nfs/dbraw/zinc/02/51/83/388025183.db2.gz NBYWHBUEXNBZII-ZJUUUORDSA-N 1 2 229.270 3.290 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(F)F ZINC000453248097 388025074 /nfs/dbraw/zinc/02/50/74/388025074.db2.gz OIPMGLIPIOYKRU-GZMMTYOYSA-N 1 2 229.270 3.087 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1cccc(O)c1)C(F)F ZINC000453248100 388020233 /nfs/dbraw/zinc/02/02/33/388020233.db2.gz OIPMGLIPIOYKRU-KCJUWKMLSA-N 1 2 229.270 3.087 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(F)F ZINC000453248104 388020863 /nfs/dbraw/zinc/02/08/63/388020863.db2.gz OIPMGLIPIOYKRU-KWQFWETISA-N 1 2 229.270 3.087 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(F)F ZINC000453248109 388020992 /nfs/dbraw/zinc/02/09/92/388020992.db2.gz OIPMGLIPIOYKRU-LDYMZIIASA-N 1 2 229.270 3.087 20 0 BGADLO CCc1cccnc1[C@H](C)[NH2+][C@H](CC)C(F)F ZINC000453250079 388025187 /nfs/dbraw/zinc/02/51/87/388025187.db2.gz RJHHSAFTDPKXQS-GXSJLCMTSA-N 1 2 242.313 3.338 20 0 BGADLO CCc1cccnc1[C@@H](C)[NH2+][C@@H](CC)C(F)F ZINC000453250080 388025454 /nfs/dbraw/zinc/02/54/54/388025454.db2.gz RJHHSAFTDPKXQS-KOLCDFICSA-N 1 2 242.313 3.338 20 0 BGADLO CCc1cccnc1[C@@H](C)[NH2+][C@H](CC)C(F)F ZINC000453250081 388025201 /nfs/dbraw/zinc/02/52/01/388025201.db2.gz RJHHSAFTDPKXQS-MWLCHTKSSA-N 1 2 242.313 3.338 20 0 BGADLO CCc1cccnc1[C@H](C)[NH2+][C@@H](CC)C(F)F ZINC000453250082 388024749 /nfs/dbraw/zinc/02/47/49/388024749.db2.gz RJHHSAFTDPKXQS-ONGXEEELSA-N 1 2 242.313 3.338 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1cccs1)C(F)F ZINC000453250645 388025790 /nfs/dbraw/zinc/02/57/90/388025790.db2.gz SDJRGKSNCVYNRB-HTQZYQBOSA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1cccs1)C(F)F ZINC000453250648 388024972 /nfs/dbraw/zinc/02/49/72/388024972.db2.gz SDJRGKSNCVYNRB-JGVFFNPUSA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1cccs1)C(F)F ZINC000453250649 388025624 /nfs/dbraw/zinc/02/56/24/388025624.db2.gz SDJRGKSNCVYNRB-SFYZADRCSA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1cccs1)C(F)F ZINC000453250651 388025524 /nfs/dbraw/zinc/02/55/24/388025524.db2.gz SDJRGKSNCVYNRB-YUMQZZPRSA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)C(F)F ZINC000453252186 388026912 /nfs/dbraw/zinc/02/69/12/388026912.db2.gz VABBWRWWBXOVOU-GXSJLCMTSA-N 1 2 245.317 3.158 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)C(F)F ZINC000453252187 388026743 /nfs/dbraw/zinc/02/67/43/388026743.db2.gz VABBWRWWBXOVOU-KOLCDFICSA-N 1 2 245.317 3.158 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)C(F)F ZINC000453252188 388026681 /nfs/dbraw/zinc/02/66/81/388026681.db2.gz VABBWRWWBXOVOU-MWLCHTKSSA-N 1 2 245.317 3.158 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1cnn(C(C)C)c1)C(F)F ZINC000453252189 388026818 /nfs/dbraw/zinc/02/68/18/388026818.db2.gz VABBWRWWBXOVOU-ONGXEEELSA-N 1 2 245.317 3.158 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1sccc1OC)C(F)F ZINC000453252770 388027055 /nfs/dbraw/zinc/02/70/55/388027055.db2.gz VRKJQOVHVBUPHF-HTQZYQBOSA-N 1 2 249.326 3.451 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1sccc1OC)C(F)F ZINC000453252771 388026966 /nfs/dbraw/zinc/02/69/66/388026966.db2.gz VRKJQOVHVBUPHF-JGVFFNPUSA-N 1 2 249.326 3.451 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1sccc1OC)C(F)F ZINC000453252773 388026801 /nfs/dbraw/zinc/02/68/01/388026801.db2.gz VRKJQOVHVBUPHF-SFYZADRCSA-N 1 2 249.326 3.451 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1sccc1OC)C(F)F ZINC000453252775 388026869 /nfs/dbraw/zinc/02/68/69/388026869.db2.gz VRKJQOVHVBUPHF-YUMQZZPRSA-N 1 2 249.326 3.451 20 0 BGADLO CC[C@@H]([NH2+][C@H](CC)C(F)F)c1ccncc1 ZINC000453253276 388026255 /nfs/dbraw/zinc/02/62/55/388026255.db2.gz WMJSVTYXQFNGCB-GHMZBOCLSA-N 1 2 228.286 3.166 20 0 BGADLO CC[C@@H]([NH2+][C@@H](CC)C(F)F)c1ccncc1 ZINC000453253277 388026250 /nfs/dbraw/zinc/02/62/50/388026250.db2.gz WMJSVTYXQFNGCB-MNOVXSKESA-N 1 2 228.286 3.166 20 0 BGADLO CC[C@H]([NH2+][C@@H](CC)C(F)F)c1ccncc1 ZINC000453253278 386279847 /nfs/dbraw/zinc/27/98/47/386279847.db2.gz WMJSVTYXQFNGCB-QWRGUYRKSA-N 1 2 228.286 3.166 20 0 BGADLO CC[C@@H]([NH2+][C@@H](CC)c1ccncc1)C(F)F ZINC000453253279 529201074 /nfs/dbraw/zinc/20/10/74/529201074.db2.gz WMJSVTYXQFNGCB-WDEREUQCSA-N 1 2 228.286 3.166 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1cnccc1C)C(F)F ZINC000453253415 388026770 /nfs/dbraw/zinc/02/67/70/388026770.db2.gz XFFKOHYXSIRBDZ-GXSJLCMTSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1cnccc1C)C(F)F ZINC000453253417 388026573 /nfs/dbraw/zinc/02/65/73/388026573.db2.gz XFFKOHYXSIRBDZ-KOLCDFICSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1cnccc1C)C(F)F ZINC000453253419 219886665 /nfs/dbraw/zinc/88/66/65/219886665.db2.gz XFFKOHYXSIRBDZ-MWLCHTKSSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1cnccc1C)C(F)F ZINC000453253421 386282529 /nfs/dbraw/zinc/28/25/29/386282529.db2.gz XFFKOHYXSIRBDZ-ONGXEEELSA-N 1 2 228.286 3.084 20 0 BGADLO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2F)C(F)F ZINC000453254217 388026474 /nfs/dbraw/zinc/02/64/74/388026474.db2.gz XZGVRVJHLZNFGJ-NEPJUHHUSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2F)C(F)F ZINC000453254219 386284863 /nfs/dbraw/zinc/28/48/63/386284863.db2.gz XZGVRVJHLZNFGJ-NWDGAFQWSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCc2c1cccc2F)C(F)F ZINC000453254221 386285407 /nfs/dbraw/zinc/28/54/07/386285407.db2.gz XZGVRVJHLZNFGJ-RYUDHWBXSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)C(F)F ZINC000453254222 386283501 /nfs/dbraw/zinc/28/35/01/386283501.db2.gz XZGVRVJHLZNFGJ-VXGBXAGGSA-N 1 2 243.272 3.446 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1ccsc1)C(F)F ZINC000453255225 388026605 /nfs/dbraw/zinc/02/66/05/388026605.db2.gz ZKAMVBMQTHNJEH-APPZFPTMSA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1ccsc1)C(F)F ZINC000453255228 388027213 /nfs/dbraw/zinc/02/72/13/388027213.db2.gz ZKAMVBMQTHNJEH-CBAPKCEASA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1ccsc1)C(F)F ZINC000453255230 388026807 /nfs/dbraw/zinc/02/68/07/388026807.db2.gz ZKAMVBMQTHNJEH-IONNQARKSA-N 1 2 219.300 3.442 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1ccsc1)C(F)F ZINC000453255232 388027013 /nfs/dbraw/zinc/02/70/13/388027013.db2.gz ZKAMVBMQTHNJEH-VXNVDRBHSA-N 1 2 219.300 3.442 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)C(C)(F)F ZINC000453273919 488187802 /nfs/dbraw/zinc/18/78/02/488187802.db2.gz ADOZFYDFQUBFHX-PELKAZGASA-N 1 2 243.272 3.446 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C(C)(F)F ZINC000453273920 488187852 /nfs/dbraw/zinc/18/78/52/488187852.db2.gz ADOZFYDFQUBFHX-PRHODGIISA-N 1 2 243.272 3.446 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C(C)(F)F ZINC000453273925 488187865 /nfs/dbraw/zinc/18/78/65/488187865.db2.gz ADOZFYDFQUBFHX-QPUJVOFHSA-N 1 2 243.272 3.446 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C(C)(F)F ZINC000453273927 488187928 /nfs/dbraw/zinc/18/79/28/488187928.db2.gz ADOZFYDFQUBFHX-UFBFGSQYSA-N 1 2 243.272 3.446 20 0 BGADLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)cn1 ZINC000453279783 388032613 /nfs/dbraw/zinc/03/26/13/388032613.db2.gz GIEISZKLBKMGKJ-NXEZZACHSA-N 1 2 245.317 3.158 20 0 BGADLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)cn1 ZINC000453279784 388032859 /nfs/dbraw/zinc/03/28/59/388032859.db2.gz GIEISZKLBKMGKJ-UWVGGRQHSA-N 1 2 245.317 3.158 20 0 BGADLO CC(C)n1cc([C@H](C)[NH2+][C@H](C)C(C)(F)F)cn1 ZINC000453279785 388033346 /nfs/dbraw/zinc/03/33/46/388033346.db2.gz GIEISZKLBKMGKJ-VHSXEESVSA-N 1 2 245.317 3.158 20 0 BGADLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)cn1 ZINC000453279786 388033137 /nfs/dbraw/zinc/03/31/37/388033137.db2.gz GIEISZKLBKMGKJ-ZJUUUORDSA-N 1 2 245.317 3.158 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)C(C)(F)F)c1ccncc1 ZINC000453289018 388034703 /nfs/dbraw/zinc/03/47/03/388034703.db2.gz MEFAGZIYARHIIH-GXSJLCMTSA-N 1 2 228.286 3.166 20 0 BGADLO CC[C@H]([NH2+][C@H](C)C(C)(F)F)c1ccncc1 ZINC000453289020 388036241 /nfs/dbraw/zinc/03/62/41/388036241.db2.gz MEFAGZIYARHIIH-KOLCDFICSA-N 1 2 228.286 3.166 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)C(C)(F)F)c1ccncc1 ZINC000453289023 388035446 /nfs/dbraw/zinc/03/54/46/388035446.db2.gz MEFAGZIYARHIIH-MWLCHTKSSA-N 1 2 228.286 3.166 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)C(C)(F)F)c1ccncc1 ZINC000453289024 388035368 /nfs/dbraw/zinc/03/53/68/388035368.db2.gz MEFAGZIYARHIIH-ONGXEEELSA-N 1 2 228.286 3.166 20 0 BGADLO COc1ccsc1[C@@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000453290018 388035729 /nfs/dbraw/zinc/03/57/29/388035729.db2.gz NAEGHIMQBBFNTB-HTQZYQBOSA-N 1 2 249.326 3.451 20 0 BGADLO COc1ccsc1[C@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000453290020 388035326 /nfs/dbraw/zinc/03/53/26/388035326.db2.gz NAEGHIMQBBFNTB-JGVFFNPUSA-N 1 2 249.326 3.451 20 0 BGADLO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000453290021 388036204 /nfs/dbraw/zinc/03/62/04/388036204.db2.gz NAEGHIMQBBFNTB-SFYZADRCSA-N 1 2 249.326 3.451 20 0 BGADLO COc1ccsc1[C@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000453290023 388035760 /nfs/dbraw/zinc/03/57/60/388035760.db2.gz NAEGHIMQBBFNTB-YUMQZZPRSA-N 1 2 249.326 3.451 20 0 BGADLO CCc1cccnc1[C@@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000453295991 388036923 /nfs/dbraw/zinc/03/69/23/388036923.db2.gz QMJFBSQAFHLQDM-NXEZZACHSA-N 1 2 242.313 3.338 20 0 BGADLO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000453295995 388036469 /nfs/dbraw/zinc/03/64/69/388036469.db2.gz QMJFBSQAFHLQDM-UWVGGRQHSA-N 1 2 242.313 3.338 20 0 BGADLO CCc1cccnc1[C@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000453295999 202730526 /nfs/dbraw/zinc/73/05/26/202730526.db2.gz QMJFBSQAFHLQDM-VHSXEESVSA-N 1 2 242.313 3.338 20 0 BGADLO CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000453296002 388034344 /nfs/dbraw/zinc/03/43/44/388034344.db2.gz QMJFBSQAFHLQDM-ZJUUUORDSA-N 1 2 242.313 3.338 20 0 BGADLO Cc1cncc([C@@H](C)[NH2+][C@H](C)C(C)(F)F)c1 ZINC000453302365 388039602 /nfs/dbraw/zinc/03/96/02/388039602.db2.gz YUSRUFSCWSRKAQ-NXEZZACHSA-N 1 2 228.286 3.084 20 0 BGADLO Cc1cncc([C@H](C)[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000453302366 388035618 /nfs/dbraw/zinc/03/56/18/388035618.db2.gz YUSRUFSCWSRKAQ-UWVGGRQHSA-N 1 2 228.286 3.084 20 0 BGADLO Cc1cncc([C@H](C)[NH2+][C@H](C)C(C)(F)F)c1 ZINC000453302367 388035495 /nfs/dbraw/zinc/03/54/95/388035495.db2.gz YUSRUFSCWSRKAQ-VHSXEESVSA-N 1 2 228.286 3.084 20 0 BGADLO Cc1cncc([C@@H](C)[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000453302368 388036294 /nfs/dbraw/zinc/03/62/94/388036294.db2.gz YUSRUFSCWSRKAQ-ZJUUUORDSA-N 1 2 228.286 3.084 20 0 BGADLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000453302430 388039959 /nfs/dbraw/zinc/03/99/59/388039959.db2.gz ZFBQGZIBGMTJCX-NXEZZACHSA-N 1 2 228.286 3.084 20 0 BGADLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000453302431 388039638 /nfs/dbraw/zinc/03/96/38/388039638.db2.gz ZFBQGZIBGMTJCX-UWVGGRQHSA-N 1 2 228.286 3.084 20 0 BGADLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000453302432 388039748 /nfs/dbraw/zinc/03/97/48/388039748.db2.gz ZFBQGZIBGMTJCX-VHSXEESVSA-N 1 2 228.286 3.084 20 0 BGADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000453302433 388040137 /nfs/dbraw/zinc/04/01/37/388040137.db2.gz ZFBQGZIBGMTJCX-ZJUUUORDSA-N 1 2 228.286 3.084 20 0 BGADLO CC/C=C/C[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000453325651 388048350 /nfs/dbraw/zinc/04/83/50/388048350.db2.gz RIZLGINURXUIMA-LPZVBRGNSA-N 1 2 239.309 3.419 20 0 BGADLO CC/C=C/C[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000453325652 388048094 /nfs/dbraw/zinc/04/80/94/388048094.db2.gz RIZLGINURXUIMA-MXPWBENCSA-N 1 2 239.309 3.419 20 0 BGADLO CC/C=C\C[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000453325653 388047541 /nfs/dbraw/zinc/04/75/41/388047541.db2.gz RIZLGINURXUIMA-QTEJZOKPSA-N 1 2 239.309 3.419 20 0 BGADLO CC/C=C\C[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000453325654 388048344 /nfs/dbraw/zinc/04/83/44/388048344.db2.gz RIZLGINURXUIMA-RBWDJNPFSA-N 1 2 239.309 3.419 20 0 BGADLO CCc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1OC ZINC000453341543 488189180 /nfs/dbraw/zinc/18/91/80/488189180.db2.gz CITTZOGVDUSTDZ-JTQLQIEISA-N 1 2 245.326 3.154 20 0 BGADLO CCc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1OC ZINC000453341546 488189085 /nfs/dbraw/zinc/18/90/85/488189085.db2.gz CITTZOGVDUSTDZ-SNVBAGLBSA-N 1 2 245.326 3.154 20 0 BGADLO CCc1ncc(C[NH2+][C@@H](C)c2cc(C)c(C)o2)o1 ZINC000453350549 388055048 /nfs/dbraw/zinc/05/50/48/388055048.db2.gz BQJKYZBFKMRJMX-JTQLQIEISA-N 1 2 248.326 3.298 20 0 BGADLO CCc1ncc(C[NH2+][C@H](C)c2cc(C)c(C)o2)o1 ZINC000453350554 388055350 /nfs/dbraw/zinc/05/53/50/388055350.db2.gz BQJKYZBFKMRJMX-SNVBAGLBSA-N 1 2 248.326 3.298 20 0 BGADLO CCCc1ncc(C[NH2+][C@H](C)c2ccc(C)o2)o1 ZINC000453357015 386466088 /nfs/dbraw/zinc/46/60/88/386466088.db2.gz DQBHOZZJVCUUAL-LLVKDONJSA-N 1 2 248.326 3.379 20 0 BGADLO CCCc1ncc(C[NH2+][C@@H](C)c2ccc(C)o2)o1 ZINC000453357016 205802562 /nfs/dbraw/zinc/80/25/62/205802562.db2.gz DQBHOZZJVCUUAL-NSHDSACASA-N 1 2 248.326 3.379 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]Cc2cnc(C3CC3)o2)o1 ZINC000453369288 388061931 /nfs/dbraw/zinc/06/19/31/388061931.db2.gz TVJRIWBTEGFRRV-JTQLQIEISA-N 1 2 246.310 3.304 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(C3CC3)o2)o1 ZINC000453369290 388061962 /nfs/dbraw/zinc/06/19/62/388061962.db2.gz TVJRIWBTEGFRRV-SNVBAGLBSA-N 1 2 246.310 3.304 20 0 BGADLO CCCc1ncc(C[NH2+][C@@H](C)c2ccco2)o1 ZINC000453394203 388069272 /nfs/dbraw/zinc/06/92/72/388069272.db2.gz SHJFOFIOQTULQQ-JTQLQIEISA-N 1 2 234.299 3.071 20 0 BGADLO CCCc1ncc(C[NH2+][C@H](C)c2ccco2)o1 ZINC000453394204 388069277 /nfs/dbraw/zinc/06/92/77/388069277.db2.gz SHJFOFIOQTULQQ-SNVBAGLBSA-N 1 2 234.299 3.071 20 0 BGADLO CCc1ccc([C@H](C)[NH2+]Cc2cnc(CC)o2)o1 ZINC000453395187 388071090 /nfs/dbraw/zinc/07/10/90/388071090.db2.gz TWNPGFIBFHZLDB-JTQLQIEISA-N 1 2 248.326 3.243 20 0 BGADLO CCc1ccc([C@@H](C)[NH2+]Cc2cnc(CC)o2)o1 ZINC000453395188 202759827 /nfs/dbraw/zinc/75/98/27/202759827.db2.gz TWNPGFIBFHZLDB-SNVBAGLBSA-N 1 2 248.326 3.243 20 0 BGADLO CCC1C[NH+](Cc2ncc(C(C)C)s2)C1 ZINC000453599178 202781709 /nfs/dbraw/zinc/78/17/09/202781709.db2.gz CERXVHBSZNXDET-UHFFFAOYSA-N 1 2 224.373 3.108 20 0 BGADLO CCC1C[NH+](Cc2csc(C(C)(C)C)n2)C1 ZINC000453607322 388091435 /nfs/dbraw/zinc/09/14/35/388091435.db2.gz SFWXEQXHGBRLSJ-UHFFFAOYSA-N 1 2 238.400 3.282 20 0 BGADLO CCc1cccc([N@@H+](C)CC2CCOCC2)c1 ZINC000453613377 388091955 /nfs/dbraw/zinc/09/19/55/388091955.db2.gz LLPMGDMDDFLPRW-UHFFFAOYSA-N 1 2 233.355 3.112 20 0 BGADLO CCc1cccc([N@H+](C)CC2CCOCC2)c1 ZINC000453613377 388091953 /nfs/dbraw/zinc/09/19/53/388091953.db2.gz LLPMGDMDDFLPRW-UHFFFAOYSA-N 1 2 233.355 3.112 20 0 BGADLO CCc1cccc(N(C)Cc2[nH+]ccn2CC)c1 ZINC000453615790 388093233 /nfs/dbraw/zinc/09/32/33/388093233.db2.gz OPWAFZXNELRBSO-UHFFFAOYSA-N 1 2 243.354 3.102 20 0 BGADLO CC1(C)Cc2ccsc2C[N@H+]1Cc1cocn1 ZINC000453620585 388093259 /nfs/dbraw/zinc/09/32/59/388093259.db2.gz LLRPTRBUDNVLFR-UHFFFAOYSA-N 1 2 248.351 3.073 20 0 BGADLO CC1(C)Cc2ccsc2C[N@@H+]1Cc1cocn1 ZINC000453620585 388093257 /nfs/dbraw/zinc/09/32/57/388093257.db2.gz LLRPTRBUDNVLFR-UHFFFAOYSA-N 1 2 248.351 3.073 20 0 BGADLO CCC1C[NH+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000453624687 388094878 /nfs/dbraw/zinc/09/48/78/388094878.db2.gz YXRNUDHIYMFCQG-UHFFFAOYSA-N 1 2 238.400 3.282 20 0 BGADLO CCCN(CC)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455466934 202886985 /nfs/dbraw/zinc/88/69/85/202886985.db2.gz GDNWRJHVKDHDDM-UHFFFAOYSA-N 1 2 249.358 3.271 20 0 BGADLO CC/C=C\CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455523219 388161891 /nfs/dbraw/zinc/16/18/91/388161891.db2.gz NNNXYVDMYFKLOP-SREVYHEPSA-N 1 2 247.342 3.095 20 0 BGADLO CC/C=C/CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455523220 388162133 /nfs/dbraw/zinc/16/21/33/388162133.db2.gz NNNXYVDMYFKLOP-VOTSOKGWSA-N 1 2 247.342 3.095 20 0 BGADLO Cc1ccc(NC(=O)C2=CC[C@H](C)CC2)c(C)[nH+]1 ZINC000455908645 388170602 /nfs/dbraw/zinc/17/06/02/388170602.db2.gz AOBYQOGMEXRHFH-JTQLQIEISA-N 1 2 244.338 3.383 20 0 BGADLO Cc1ccc(NC(=O)C2=CC[C@@H](C)CC2)c(C)[nH+]1 ZINC000455908654 388170623 /nfs/dbraw/zinc/17/06/23/388170623.db2.gz AOBYQOGMEXRHFH-SNVBAGLBSA-N 1 2 244.338 3.383 20 0 BGADLO CCC(C)(C)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456833953 388226615 /nfs/dbraw/zinc/22/66/15/388226615.db2.gz HAAZDUJCJKOERX-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO Cc1cc(C)c(CNC(=O)CCCC(C)C)c[nH+]1 ZINC000456834728 388226134 /nfs/dbraw/zinc/22/61/34/388226134.db2.gz IFOLOHFMVSPAKD-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO Cc1cc(C)c(CNC(=O)CCC(C)(C)C)c[nH+]1 ZINC000456835646 388226609 /nfs/dbraw/zinc/22/66/09/388226609.db2.gz JCTYMJKKGIIIOF-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO CC[C@@H](C)CCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456835671 388226220 /nfs/dbraw/zinc/22/62/20/388226220.db2.gz JHCJGXPMFSLVAP-LLVKDONJSA-N 1 2 248.370 3.141 20 0 BGADLO CC[C@H](C)CCC(=O)NCc1c[nH+]c(C)cc1C ZINC000456835672 388226276 /nfs/dbraw/zinc/22/62/76/388226276.db2.gz JHCJGXPMFSLVAP-NSHDSACASA-N 1 2 248.370 3.141 20 0 BGADLO CCCC[C@@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456839403 388226612 /nfs/dbraw/zinc/22/66/12/388226612.db2.gz NCLVGNVWPOUDSH-LLVKDONJSA-N 1 2 248.370 3.141 20 0 BGADLO CCCC[C@H](C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000456839404 388226067 /nfs/dbraw/zinc/22/60/67/388226067.db2.gz NCLVGNVWPOUDSH-NSHDSACASA-N 1 2 248.370 3.141 20 0 BGADLO CCC(CC)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456842398 388227661 /nfs/dbraw/zinc/22/76/61/388227661.db2.gz PFGIUWRECSHQAY-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO CCC[C@@H](C)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456857947 388228066 /nfs/dbraw/zinc/22/80/66/388228066.db2.gz LJVBLIGFDWOSKU-LLVKDONJSA-N 1 2 248.370 3.141 20 0 BGADLO CCC[C@H](C)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000456857948 388228014 /nfs/dbraw/zinc/22/80/14/388228014.db2.gz LJVBLIGFDWOSKU-NSHDSACASA-N 1 2 248.370 3.141 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)CCCCC(C)C ZINC000457568996 203075425 /nfs/dbraw/zinc/07/54/25/203075425.db2.gz JUVGQLRZQWEMQT-UHFFFAOYSA-N 1 2 248.370 3.221 20 0 BGADLO Cc1cc(F)c(C[N@H+](C)C2CC2)c(Cl)c1 ZINC000459294617 203251162 /nfs/dbraw/zinc/25/11/62/203251162.db2.gz HDUMPWHXIBAFSQ-UHFFFAOYSA-N 1 2 227.710 3.382 20 0 BGADLO Cc1cc(F)c(C[N@@H+](C)C2CC2)c(Cl)c1 ZINC000459294617 203251159 /nfs/dbraw/zinc/25/11/59/203251159.db2.gz HDUMPWHXIBAFSQ-UHFFFAOYSA-N 1 2 227.710 3.382 20 0 BGADLO CCC[N@@H+](CCOCC1CCCC1)CC(F)F ZINC000459324941 203259311 /nfs/dbraw/zinc/25/93/11/203259311.db2.gz LOOKDLCWLROZJH-UHFFFAOYSA-N 1 2 249.345 3.170 20 0 BGADLO CCC[N@H+](CCOCC1CCCC1)CC(F)F ZINC000459324941 203259310 /nfs/dbraw/zinc/25/93/10/203259310.db2.gz LOOKDLCWLROZJH-UHFFFAOYSA-N 1 2 249.345 3.170 20 0 BGADLO C[N@@H+](CCc1cccc(Cl)c1)CC(F)F ZINC000459328485 203259092 /nfs/dbraw/zinc/25/90/92/203259092.db2.gz QAXWQKSMHJKMLD-UHFFFAOYSA-N 1 2 233.689 3.079 20 0 BGADLO C[N@H+](CCc1cccc(Cl)c1)CC(F)F ZINC000459328485 203259088 /nfs/dbraw/zinc/25/90/88/203259088.db2.gz QAXWQKSMHJKMLD-UHFFFAOYSA-N 1 2 233.689 3.079 20 0 BGADLO C[N@@H+](CC(F)F)CC1CCC(F)(F)CC1 ZINC000459335797 203262350 /nfs/dbraw/zinc/26/23/50/203262350.db2.gz IREYXDIPMFWACM-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@H+](CC(F)F)CC1CCC(F)(F)CC1 ZINC000459335797 203262348 /nfs/dbraw/zinc/26/23/48/203262348.db2.gz IREYXDIPMFWACM-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@@H+](Cc1ccon1)Cc1ccc(C2CC2)cc1 ZINC000459337758 203262645 /nfs/dbraw/zinc/26/26/45/203262645.db2.gz GAMWRAIYIIVDST-UHFFFAOYSA-N 1 2 242.322 3.184 20 0 BGADLO C[N@H+](Cc1ccon1)Cc1ccc(C2CC2)cc1 ZINC000459337758 203262642 /nfs/dbraw/zinc/26/26/42/203262642.db2.gz GAMWRAIYIIVDST-UHFFFAOYSA-N 1 2 242.322 3.184 20 0 BGADLO CC(C)[N@@H+](CCOCC1CCCC1)CC(F)F ZINC000459354404 203264606 /nfs/dbraw/zinc/26/46/06/203264606.db2.gz UYVHHUYXUALRSH-UHFFFAOYSA-N 1 2 249.345 3.169 20 0 BGADLO CC(C)[N@H+](CCOCC1CCCC1)CC(F)F ZINC000459354404 203264603 /nfs/dbraw/zinc/26/46/03/203264603.db2.gz UYVHHUYXUALRSH-UHFFFAOYSA-N 1 2 249.345 3.169 20 0 BGADLO FC1(F)CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000459401115 203275157 /nfs/dbraw/zinc/27/51/57/203275157.db2.gz NIJSTCKAXXCYTJ-UHFFFAOYSA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000459401115 203275155 /nfs/dbraw/zinc/27/51/55/203275155.db2.gz NIJSTCKAXXCYTJ-UHFFFAOYSA-N 1 2 239.256 3.153 20 0 BGADLO Cc1cc[nH+]cc1NC1CC2(CCC2)C1 ZINC000459440812 203282136 /nfs/dbraw/zinc/28/21/36/203282136.db2.gz AEYYMGNRXFUEMZ-UHFFFAOYSA-N 1 2 202.301 3.135 20 0 BGADLO Cc1[nH+]cccc1NC1CC2(CCC2)C1 ZINC000459449195 388244706 /nfs/dbraw/zinc/24/47/06/388244706.db2.gz MJMLIKSSUJJCPX-UHFFFAOYSA-N 1 2 202.301 3.135 20 0 BGADLO Cc1c[nH+]cc(NC2CC3(CCC3)C2)c1 ZINC000459449994 388245076 /nfs/dbraw/zinc/24/50/76/388245076.db2.gz NYAPEQLIPWOCEH-UHFFFAOYSA-N 1 2 202.301 3.135 20 0 BGADLO Cc1ccc(NC2CC3(CCC3)C2)c(C)[nH+]1 ZINC000459453718 203284885 /nfs/dbraw/zinc/28/48/85/203284885.db2.gz SWBXCMGQXDONEE-UHFFFAOYSA-N 1 2 216.328 3.443 20 0 BGADLO CC[N@@H+](CCc1cccc(Cl)c1)CC(F)F ZINC000459484866 203290027 /nfs/dbraw/zinc/29/00/27/203290027.db2.gz NXXBTVKFBHQRKH-UHFFFAOYSA-N 1 2 247.716 3.470 20 0 BGADLO CC[N@H+](CCc1cccc(Cl)c1)CC(F)F ZINC000459484866 203290023 /nfs/dbraw/zinc/29/00/23/203290023.db2.gz NXXBTVKFBHQRKH-UHFFFAOYSA-N 1 2 247.716 3.470 20 0 BGADLO CC(C)[C@H]([NH2+]C1CC2(CCC2)C1)C(F)(F)F ZINC000459490278 203291800 /nfs/dbraw/zinc/29/18/00/203291800.db2.gz BSJRFJDJPMQLKT-JTQLQIEISA-N 1 2 235.293 3.496 20 0 BGADLO Cc1cc(F)c(C[NH+]2CC(C)C2)c(Cl)c1 ZINC000459518753 203295703 /nfs/dbraw/zinc/29/57/03/203295703.db2.gz DXDJGCZVZRBTMA-UHFFFAOYSA-N 1 2 227.710 3.239 20 0 BGADLO FC(F)C1([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459535374 203297281 /nfs/dbraw/zinc/29/72/81/203297281.db2.gz GJCFRDVSQGCQAV-UHFFFAOYSA-N 1 2 245.700 3.270 20 0 BGADLO FC(F)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000459538864 324147771 /nfs/dbraw/zinc/14/77/71/324147771.db2.gz CDFSRLGAGWDCPY-UHFFFAOYSA-N 1 2 225.282 3.309 20 0 BGADLO FC(F)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000459541007 206133052 /nfs/dbraw/zinc/13/30/52/206133052.db2.gz FJQKFZVGHDKUGE-UHFFFAOYSA-N 1 2 245.216 3.122 20 0 BGADLO FC(F)C1([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000459545222 206132524 /nfs/dbraw/zinc/13/25/24/206132524.db2.gz OQZLCWSOOMHGJA-UHFFFAOYSA-N 1 2 245.700 3.270 20 0 BGADLO FC(F)C1([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459547030 203297840 /nfs/dbraw/zinc/29/78/40/203297840.db2.gz ROCPGPQFQWBFSX-UHFFFAOYSA-N 1 2 237.293 3.451 20 0 BGADLO Cc1ccc2[nH]c(C[NH2+]CC(F)F)cc2c1C ZINC000459547180 203299573 /nfs/dbraw/zinc/29/95/73/203299573.db2.gz OOQACPRZVDSFIP-UHFFFAOYSA-N 1 2 238.281 3.139 20 0 BGADLO FC(F)C[NH2+]Cc1cscc1C(F)(F)F ZINC000459549415 203298913 /nfs/dbraw/zinc/29/89/13/203298913.db2.gz RLSFQGXXOHEZNR-UHFFFAOYSA-N 1 2 245.216 3.122 20 0 BGADLO CC(C)COc1cccc(C[NH2+]CC(F)F)c1 ZINC000459552591 203299633 /nfs/dbraw/zinc/29/96/33/203299633.db2.gz ZZWNPNMVGLYWPS-UHFFFAOYSA-N 1 2 243.297 3.076 20 0 BGADLO C[C@@H]([NH2+]C(CF)CF)c1cc2ccccc2o1 ZINC000459559373 203302024 /nfs/dbraw/zinc/30/20/24/203302024.db2.gz BJSHGCZHVACBHU-SECBINFHSA-N 1 2 239.265 3.391 20 0 BGADLO C[C@H]([NH2+]C(CF)CF)c1cc2ccccc2o1 ZINC000459559375 203301032 /nfs/dbraw/zinc/30/10/32/203301032.db2.gz BJSHGCZHVACBHU-VIFPVBQESA-N 1 2 239.265 3.391 20 0 BGADLO Cc1cc(F)c(C[NH2+][C@H](C)CF)c(Cl)c1 ZINC000459566426 203304032 /nfs/dbraw/zinc/30/40/32/203304032.db2.gz IVLODBAMDUNCET-MRVPVSSYSA-N 1 2 233.689 3.235 20 0 BGADLO Cc1cc(F)c(C[NH2+][C@@H](C)CF)c(Cl)c1 ZINC000459566427 203302951 /nfs/dbraw/zinc/30/29/51/203302951.db2.gz IVLODBAMDUNCET-QMMMGPOBSA-N 1 2 233.689 3.235 20 0 BGADLO Cc1cc(F)c(C[NH+]2CC3(CC3)C2)c(Cl)c1 ZINC000459569863 487773839 /nfs/dbraw/zinc/77/38/39/487773839.db2.gz MGIAVDQZIVEVBZ-UHFFFAOYSA-N 1 2 239.721 3.383 20 0 BGADLO CCc1cccc([N@@H+](C)CC2CCC(=O)CC2)c1 ZINC000459584828 203307641 /nfs/dbraw/zinc/30/76/41/203307641.db2.gz ADVBIRWCIQVPIR-UHFFFAOYSA-N 1 2 245.366 3.445 20 0 BGADLO CCc1cccc([N@H+](C)CC2CCC(=O)CC2)c1 ZINC000459584828 203307638 /nfs/dbraw/zinc/30/76/38/203307638.db2.gz ADVBIRWCIQVPIR-UHFFFAOYSA-N 1 2 245.366 3.445 20 0 BGADLO CCC1(CC)CN(Cc2cc(OC)cc(C)[nH+]2)C1 ZINC000459591592 203309292 /nfs/dbraw/zinc/30/92/92/203309292.db2.gz FYTYJZXMBYEFPX-UHFFFAOYSA-N 1 2 248.370 3.021 20 0 BGADLO CCc1nc(C[NH+]2CC(CC)(CC)C2)cs1 ZINC000459600103 203312811 /nfs/dbraw/zinc/31/28/11/203312811.db2.gz RXJUIKMHVVEADP-UHFFFAOYSA-N 1 2 238.400 3.328 20 0 BGADLO CCOC1(C)C[NH+](Cc2ccc3occc3c2)C1 ZINC000459619179 203318783 /nfs/dbraw/zinc/31/87/83/203318783.db2.gz KJNRULOIUIXJEY-UHFFFAOYSA-N 1 2 245.322 3.044 20 0 BGADLO CCOC1(C)C[NH+](Cc2cc(Cl)cs2)C1 ZINC000459620554 203319058 /nfs/dbraw/zinc/31/90/58/203319058.db2.gz LVMQTJBLYJCIBQ-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CCOC1(C)C[NH+](Cc2cc3ccccc3o2)C1 ZINC000459625865 203321726 /nfs/dbraw/zinc/32/17/26/203321726.db2.gz TXAKMWQQOLDYTD-UHFFFAOYSA-N 1 2 245.322 3.044 20 0 BGADLO CCOC1(C)C[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC000459626524 387136549 /nfs/dbraw/zinc/13/65/49/387136549.db2.gz UUCISPFXJGKHMI-AAEUAGOBSA-N 1 2 249.354 3.014 20 0 BGADLO CCOC1(C)C[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC000459626525 387137184 /nfs/dbraw/zinc/13/71/84/387137184.db2.gz UUCISPFXJGKHMI-DGCLKSJQSA-N 1 2 249.354 3.014 20 0 BGADLO CCOC1(C)C[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000459626526 387136486 /nfs/dbraw/zinc/13/64/86/387136486.db2.gz UUCISPFXJGKHMI-WCQYABFASA-N 1 2 249.354 3.014 20 0 BGADLO CCOC1(C)C[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC000459626527 387139089 /nfs/dbraw/zinc/13/90/89/387139089.db2.gz UUCISPFXJGKHMI-YPMHNXCESA-N 1 2 249.354 3.014 20 0 BGADLO CCC1(C)C[NH+](Cc2cccc(O)c2Cl)C1 ZINC000459629165 203323043 /nfs/dbraw/zinc/32/30/43/203323043.db2.gz DCHMNUAULVYTOS-UHFFFAOYSA-N 1 2 239.746 3.278 20 0 BGADLO CCCc1csc(C[NH+]2CC(C)(CC)C2)n1 ZINC000459629306 203324724 /nfs/dbraw/zinc/32/47/24/203324724.db2.gz DOSPOKDWCJOOCI-UHFFFAOYSA-N 1 2 238.400 3.328 20 0 BGADLO CCC1(C)C[NH+](Cc2ncc(C(C)C)s2)C1 ZINC000459632398 203325149 /nfs/dbraw/zinc/32/51/49/203325149.db2.gz JSEQTKAVURZJGB-UHFFFAOYSA-N 1 2 238.400 3.498 20 0 BGADLO CCC1(C)C[NH+](Cc2c(F)cccc2F)C1 ZINC000459637486 203326900 /nfs/dbraw/zinc/32/69/00/203326900.db2.gz SHJDMGWLBQJZTM-UHFFFAOYSA-N 1 2 225.282 3.197 20 0 BGADLO CCC1(C)C[NH+](Cc2cc(F)c(F)cc2F)C1 ZINC000459638213 203326236 /nfs/dbraw/zinc/32/62/36/203326236.db2.gz SZEAMJRZEXKUQA-UHFFFAOYSA-N 1 2 243.272 3.336 20 0 BGADLO CC1(CC(F)(F)F)C[NH+](Cc2ccco2)C1 ZINC000459638877 203325864 /nfs/dbraw/zinc/32/58/64/203325864.db2.gz NSEZSWXKZHNLTG-UHFFFAOYSA-N 1 2 233.233 3.054 20 0 BGADLO CCC1(C)C[NH+](Cc2ccc(Cl)o2)C1 ZINC000459640033 203328310 /nfs/dbraw/zinc/32/83/10/203328310.db2.gz WWWOIFOYLOCXCY-UHFFFAOYSA-N 1 2 213.708 3.165 20 0 BGADLO CCC1(C)C[NH+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000459642373 203328126 /nfs/dbraw/zinc/32/81/26/203328126.db2.gz ZLCHZMJOVUIPGH-UHFFFAOYSA-N 1 2 243.272 3.336 20 0 BGADLO CC(C)(C)C1C[NH+](Cc2ncc(Cl)s2)C1 ZINC000459650206 203328586 /nfs/dbraw/zinc/32/85/86/203328586.db2.gz WZSZDJBTTCIIAR-UHFFFAOYSA-N 1 2 244.791 3.274 20 0 BGADLO Clc1cccc2c1C[N@@H+](Cc1ccco1)CC2 ZINC000459673951 203333368 /nfs/dbraw/zinc/33/33/68/203333368.db2.gz BBKKAKUKNRYWDY-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Clc1cccc2c1C[N@H+](Cc1ccco1)CC2 ZINC000459673951 203333365 /nfs/dbraw/zinc/33/33/65/203333365.db2.gz BBKKAKUKNRYWDY-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO CC(C)=CC[N@H+]1Cc2cccc(F)c2C1 ZINC000459697474 203338418 /nfs/dbraw/zinc/33/84/18/203338418.db2.gz BPWRAOLMQNDTPS-UHFFFAOYSA-N 1 2 205.276 3.108 20 0 BGADLO CC(C)=CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459697474 203338416 /nfs/dbraw/zinc/33/84/16/203338416.db2.gz BPWRAOLMQNDTPS-UHFFFAOYSA-N 1 2 205.276 3.108 20 0 BGADLO Cc1ccoc1C[N@H+]1Cc2cccc(F)c2C1 ZINC000459706735 203340504 /nfs/dbraw/zinc/34/05/04/203340504.db2.gz JBDFRNUPATXOFR-UHFFFAOYSA-N 1 2 231.270 3.243 20 0 BGADLO Cc1ccoc1C[N@@H+]1Cc2cccc(F)c2C1 ZINC000459706735 203340502 /nfs/dbraw/zinc/34/05/02/203340502.db2.gz JBDFRNUPATXOFR-UHFFFAOYSA-N 1 2 231.270 3.243 20 0 BGADLO CCc1ccc(C[N@H+]2Cc3cccc(F)c3C2)o1 ZINC000459708603 203338914 /nfs/dbraw/zinc/33/89/14/203338914.db2.gz KJIKRUDLTJPIFJ-UHFFFAOYSA-N 1 2 245.297 3.497 20 0 BGADLO CCc1ccc(C[N@@H+]2Cc3cccc(F)c3C2)o1 ZINC000459708603 203338912 /nfs/dbraw/zinc/33/89/12/203338912.db2.gz KJIKRUDLTJPIFJ-UHFFFAOYSA-N 1 2 245.297 3.497 20 0 BGADLO Cc1ccc(C[N@H+]2Cc3cccc(F)c3C2)o1 ZINC000459715449 387269785 /nfs/dbraw/zinc/26/97/85/387269785.db2.gz PIKNDLXJGVFDEB-UHFFFAOYSA-N 1 2 231.270 3.243 20 0 BGADLO Cc1ccc(C[N@@H+]2Cc3cccc(F)c3C2)o1 ZINC000459715449 387269782 /nfs/dbraw/zinc/26/97/82/387269782.db2.gz PIKNDLXJGVFDEB-UHFFFAOYSA-N 1 2 231.270 3.243 20 0 BGADLO Cn1cccc1C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459742194 203348470 /nfs/dbraw/zinc/34/84/70/203348470.db2.gz FUDSRHSTFCORQX-UHFFFAOYSA-N 1 2 246.741 3.194 20 0 BGADLO Cn1cccc1C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459742194 203348469 /nfs/dbraw/zinc/34/84/69/203348469.db2.gz FUDSRHSTFCORQX-UHFFFAOYSA-N 1 2 246.741 3.194 20 0 BGADLO Cn1ccc(C[N@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000459748298 203354301 /nfs/dbraw/zinc/35/43/01/203354301.db2.gz KDAISRHQWPJOGY-UHFFFAOYSA-N 1 2 246.741 3.194 20 0 BGADLO Cn1ccc(C[N@@H+]2Cc3ccc(Cl)cc3C2)c1 ZINC000459748298 203354298 /nfs/dbraw/zinc/35/42/98/203354298.db2.gz KDAISRHQWPJOGY-UHFFFAOYSA-N 1 2 246.741 3.194 20 0 BGADLO CC(C)OCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459753986 203356933 /nfs/dbraw/zinc/35/69/33/203356933.db2.gz DKOZYFQHIXEUCM-UHFFFAOYSA-N 1 2 239.746 3.081 20 0 BGADLO CC(C)OCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459753986 203356932 /nfs/dbraw/zinc/35/69/32/203356932.db2.gz DKOZYFQHIXEUCM-UHFFFAOYSA-N 1 2 239.746 3.081 20 0 BGADLO CC1(C)CC[C@H](C[N@H+]2Cc3cccc(F)c3C2)O1 ZINC000459755319 203355852 /nfs/dbraw/zinc/35/58/52/203355852.db2.gz QFNHRFVDXAUZRR-GFCCVEGCSA-N 1 2 249.329 3.099 20 0 BGADLO CC1(C)CC[C@H](C[N@@H+]2Cc3cccc(F)c3C2)O1 ZINC000459755319 203355848 /nfs/dbraw/zinc/35/58/48/203355848.db2.gz QFNHRFVDXAUZRR-GFCCVEGCSA-N 1 2 249.329 3.099 20 0 BGADLO CC1(C)CC[C@@H](C[N@H+]2Cc3cccc(F)c3C2)O1 ZINC000459755321 203355766 /nfs/dbraw/zinc/35/57/66/203355766.db2.gz QFNHRFVDXAUZRR-LBPRGKRZSA-N 1 2 249.329 3.099 20 0 BGADLO CC1(C)CC[C@@H](C[N@@H+]2Cc3cccc(F)c3C2)O1 ZINC000459755321 203355762 /nfs/dbraw/zinc/35/57/62/203355762.db2.gz QFNHRFVDXAUZRR-LBPRGKRZSA-N 1 2 249.329 3.099 20 0 BGADLO CC[C@@H](F)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459756836 203357780 /nfs/dbraw/zinc/35/77/80/203357780.db2.gz HEDSNPXSMWMKRU-GFCCVEGCSA-N 1 2 227.710 3.404 20 0 BGADLO CC[C@@H](F)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459756836 203357777 /nfs/dbraw/zinc/35/77/77/203357777.db2.gz HEDSNPXSMWMKRU-GFCCVEGCSA-N 1 2 227.710 3.404 20 0 BGADLO CC[C@H](F)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459756838 203357760 /nfs/dbraw/zinc/35/77/60/203357760.db2.gz HEDSNPXSMWMKRU-LBPRGKRZSA-N 1 2 227.710 3.404 20 0 BGADLO CC[C@H](F)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459756838 203357758 /nfs/dbraw/zinc/35/77/58/203357758.db2.gz HEDSNPXSMWMKRU-LBPRGKRZSA-N 1 2 227.710 3.404 20 0 BGADLO C=Cc1ccc(CCNc2cccc[nH+]2)cc1 ZINC000461877507 388262012 /nfs/dbraw/zinc/26/20/12/388262012.db2.gz UBMNWPFKGVGHKH-UHFFFAOYSA-N 1 2 224.307 3.379 20 0 BGADLO CC[N@@H+](CCC(C)(C)O)c1cccc(C)c1C ZINC000462313404 528405444 /nfs/dbraw/zinc/40/54/44/528405444.db2.gz MFOHTXUAUKWHNN-UHFFFAOYSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC(C)(C)O)c1cccc(C)c1C ZINC000462313404 528405437 /nfs/dbraw/zinc/40/54/37/528405437.db2.gz MFOHTXUAUKWHNN-UHFFFAOYSA-N 1 2 235.371 3.291 20 0 BGADLO Cc1cccc([N@H+](CCC(C)(C)O)C(C)C)c1 ZINC000462317254 388265955 /nfs/dbraw/zinc/26/59/55/388265955.db2.gz MFFBVUGIMOHGSA-UHFFFAOYSA-N 1 2 235.371 3.371 20 0 BGADLO Cc1cccc([N@@H+](CCC(C)(C)O)C(C)C)c1 ZINC000462317254 388265952 /nfs/dbraw/zinc/26/59/52/388265952.db2.gz MFFBVUGIMOHGSA-UHFFFAOYSA-N 1 2 235.371 3.371 20 0 BGADLO CC[N@@H+](CCC(C)(C)O)c1cc(C)ccc1C ZINC000462319071 388265377 /nfs/dbraw/zinc/26/53/77/388265377.db2.gz OCESMGXXTAVKIZ-UHFFFAOYSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC(C)(C)O)c1cc(C)ccc1C ZINC000462319071 388265376 /nfs/dbraw/zinc/26/53/76/388265376.db2.gz OCESMGXXTAVKIZ-UHFFFAOYSA-N 1 2 235.371 3.291 20 0 BGADLO Cc1ccccc1[N@H+](CCC(C)(C)O)C(C)C ZINC000462341913 384310372 /nfs/dbraw/zinc/31/03/72/384310372.db2.gz QUKFUNJVZRTHHV-UHFFFAOYSA-N 1 2 235.371 3.371 20 0 BGADLO Cc1ccccc1[N@@H+](CCC(C)(C)O)C(C)C ZINC000462341913 384310362 /nfs/dbraw/zinc/31/03/62/384310362.db2.gz QUKFUNJVZRTHHV-UHFFFAOYSA-N 1 2 235.371 3.371 20 0 BGADLO CC(C)(O)CC[N@H+]1CCCCCc2ccccc21 ZINC000462349279 388267291 /nfs/dbraw/zinc/26/72/91/388267291.db2.gz QCUHIAYAIIFLSC-UHFFFAOYSA-N 1 2 247.382 3.380 20 0 BGADLO CC(C)(O)CC[N@@H+]1CCCCCc2ccccc21 ZINC000462349279 388267288 /nfs/dbraw/zinc/26/72/88/388267288.db2.gz QCUHIAYAIIFLSC-UHFFFAOYSA-N 1 2 247.382 3.380 20 0 BGADLO CC(C)=CC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000462828406 388272634 /nfs/dbraw/zinc/27/26/34/388272634.db2.gz NHRSNEFKLSNXHQ-UHFFFAOYSA-N 1 2 240.350 3.423 20 0 BGADLO CC(C)=CC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000462828406 388272633 /nfs/dbraw/zinc/27/26/33/388272633.db2.gz NHRSNEFKLSNXHQ-UHFFFAOYSA-N 1 2 240.350 3.423 20 0 BGADLO CC(C)c1nc(N[C@H](C)C2CCCCC2)cc[nH+]1 ZINC000462859820 388273820 /nfs/dbraw/zinc/27/38/20/388273820.db2.gz YRFPZNQOFKOBNN-GFCCVEGCSA-N 1 2 247.386 3.403 20 0 BGADLO CC(C)c1nc(N[C@@H](C)C2CCCCC2)cc[nH+]1 ZINC000462859821 388273488 /nfs/dbraw/zinc/27/34/88/388273488.db2.gz YRFPZNQOFKOBNN-LBPRGKRZSA-N 1 2 247.386 3.403 20 0 BGADLO CC(C)c1nc(N2CCC(C(C)C)CC2)cc[nH+]1 ZINC000462904971 411344272 /nfs/dbraw/zinc/34/42/72/411344272.db2.gz IENNKIGXUKOWEJ-UHFFFAOYSA-N 1 2 247.386 3.472 20 0 BGADLO CCC[C@@H]1C[C@H]1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000463259465 388090013 /nfs/dbraw/zinc/09/00/13/388090013.db2.gz OKQXTXDJCBRMFH-CHWSQXEVSA-N 1 2 246.354 3.382 20 0 BGADLO CCCC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000463345677 388091427 /nfs/dbraw/zinc/09/14/27/388091427.db2.gz QHTGIVOTYYKDAG-UHFFFAOYSA-N 1 2 228.339 3.257 20 0 BGADLO CCCC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000463345677 388091423 /nfs/dbraw/zinc/09/14/23/388091423.db2.gz QHTGIVOTYYKDAG-UHFFFAOYSA-N 1 2 228.339 3.257 20 0 BGADLO c1ccc([N@@H+](CC2CCC2)C[C@@H]2CCOC2)cc1 ZINC000464679729 388102191 /nfs/dbraw/zinc/10/21/91/388102191.db2.gz XMMUAVRILHSWJC-HNNXBMFYSA-N 1 2 245.366 3.330 20 0 BGADLO c1ccc([N@H+](CC2CCC2)C[C@@H]2CCOC2)cc1 ZINC000464679729 388102189 /nfs/dbraw/zinc/10/21/89/388102189.db2.gz XMMUAVRILHSWJC-HNNXBMFYSA-N 1 2 245.366 3.330 20 0 BGADLO c1ccc([N@@H+](CC2CCC2)C[C@H]2CCOC2)cc1 ZINC000464679730 388102028 /nfs/dbraw/zinc/10/20/28/388102028.db2.gz XMMUAVRILHSWJC-OAHLLOKOSA-N 1 2 245.366 3.330 20 0 BGADLO c1ccc([N@H+](CC2CCC2)C[C@H]2CCOC2)cc1 ZINC000464679730 388102027 /nfs/dbraw/zinc/10/20/27/388102027.db2.gz XMMUAVRILHSWJC-OAHLLOKOSA-N 1 2 245.366 3.330 20 0 BGADLO c1ccc2c(c1)CCCCC[N@@H+]2C[C@@H]1CCOC1 ZINC000464688577 388102087 /nfs/dbraw/zinc/10/20/87/388102087.db2.gz HVZDIZCTRHHXQX-AWEZNQCLSA-N 1 2 245.366 3.256 20 0 BGADLO c1ccc2c(c1)CCCCC[N@H+]2C[C@@H]1CCOC1 ZINC000464688577 388102084 /nfs/dbraw/zinc/10/20/84/388102084.db2.gz HVZDIZCTRHHXQX-AWEZNQCLSA-N 1 2 245.366 3.256 20 0 BGADLO c1ccc2c(c1)CCCCC[N@@H+]2C[C@H]1CCOC1 ZINC000464688578 388102216 /nfs/dbraw/zinc/10/22/16/388102216.db2.gz HVZDIZCTRHHXQX-CQSZACIVSA-N 1 2 245.366 3.256 20 0 BGADLO c1ccc2c(c1)CCCCC[N@H+]2C[C@H]1CCOC1 ZINC000464688578 388102213 /nfs/dbraw/zinc/10/22/13/388102213.db2.gz HVZDIZCTRHHXQX-CQSZACIVSA-N 1 2 245.366 3.256 20 0 BGADLO C[C@@H]1CCC[C@H](CC[N@@H+](C)CC(F)F)C1 ZINC000464865817 388107545 /nfs/dbraw/zinc/10/75/45/388107545.db2.gz MWCMQIKHLOSUMJ-GHMZBOCLSA-N 1 2 219.319 3.400 20 0 BGADLO C[C@@H]1CCC[C@H](CC[N@H+](C)CC(F)F)C1 ZINC000464865817 388107541 /nfs/dbraw/zinc/10/75/41/388107541.db2.gz MWCMQIKHLOSUMJ-GHMZBOCLSA-N 1 2 219.319 3.400 20 0 BGADLO C[C@@H]1CCC[C@@H](CC[N@@H+](C)CC(F)F)C1 ZINC000464865818 388106977 /nfs/dbraw/zinc/10/69/77/388106977.db2.gz MWCMQIKHLOSUMJ-MNOVXSKESA-N 1 2 219.319 3.400 20 0 BGADLO C[C@@H]1CCC[C@@H](CC[N@H+](C)CC(F)F)C1 ZINC000464865818 388106976 /nfs/dbraw/zinc/10/69/76/388106976.db2.gz MWCMQIKHLOSUMJ-MNOVXSKESA-N 1 2 219.319 3.400 20 0 BGADLO C[C@H]1CCC[C@@H](CC[N@@H+](C)CC(F)F)C1 ZINC000464865819 388107694 /nfs/dbraw/zinc/10/76/94/388107694.db2.gz MWCMQIKHLOSUMJ-QWRGUYRKSA-N 1 2 219.319 3.400 20 0 BGADLO C[C@H]1CCC[C@@H](CC[N@H+](C)CC(F)F)C1 ZINC000464865819 388107692 /nfs/dbraw/zinc/10/76/92/388107692.db2.gz MWCMQIKHLOSUMJ-QWRGUYRKSA-N 1 2 219.319 3.400 20 0 BGADLO C[C@H]1CCC[C@H](CC[N@@H+](C)CC(F)F)C1 ZINC000464865820 388107494 /nfs/dbraw/zinc/10/74/94/388107494.db2.gz MWCMQIKHLOSUMJ-WDEREUQCSA-N 1 2 219.319 3.400 20 0 BGADLO C[C@H]1CCC[C@H](CC[N@H+](C)CC(F)F)C1 ZINC000464865820 388107491 /nfs/dbraw/zinc/10/74/91/388107491.db2.gz MWCMQIKHLOSUMJ-WDEREUQCSA-N 1 2 219.319 3.400 20 0 BGADLO CC[C@H]1CCC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000465052716 388109144 /nfs/dbraw/zinc/10/91/44/388109144.db2.gz LHELXOGKNRXXLT-AAEUAGOBSA-N 1 2 241.338 3.042 20 0 BGADLO CC[C@@H]1CCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000465052717 388109161 /nfs/dbraw/zinc/10/91/61/388109161.db2.gz LHELXOGKNRXXLT-DGCLKSJQSA-N 1 2 241.338 3.042 20 0 BGADLO CC[C@H]1CCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000465052718 388109114 /nfs/dbraw/zinc/10/91/14/388109114.db2.gz LHELXOGKNRXXLT-WCQYABFASA-N 1 2 241.338 3.042 20 0 BGADLO CC[C@@H]1CCC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000465052719 388109489 /nfs/dbraw/zinc/10/94/89/388109489.db2.gz LHELXOGKNRXXLT-YPMHNXCESA-N 1 2 241.338 3.042 20 0 BGADLO Cc1cc(N2C[C@@H](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000465058571 388109377 /nfs/dbraw/zinc/10/93/77/388109377.db2.gz RJDHNGZWJLLVFG-CMPLNLGQSA-N 1 2 233.359 3.143 20 0 BGADLO Cc1cc(N2C[C@@H](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000465058577 388109050 /nfs/dbraw/zinc/10/90/50/388109050.db2.gz RJDHNGZWJLLVFG-JQWIXIFHSA-N 1 2 233.359 3.143 20 0 BGADLO Cc1cc(N2C[C@H](C)C[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000465058579 388109324 /nfs/dbraw/zinc/10/93/24/388109324.db2.gz RJDHNGZWJLLVFG-PWSUYJOCSA-N 1 2 233.359 3.143 20 0 BGADLO Cc1cc(N2C[C@H](C)C[C@H]2C)nc(C(C)C)[nH+]1 ZINC000465058581 388109120 /nfs/dbraw/zinc/10/91/20/388109120.db2.gz RJDHNGZWJLLVFG-ZYHUDNBSSA-N 1 2 233.359 3.143 20 0 BGADLO CC1(C)CN(c2cccc[nH+]2)CC(C)(C)C1 ZINC000466449077 388118629 /nfs/dbraw/zinc/11/86/29/388118629.db2.gz PBLGZCFFJBNPDF-UHFFFAOYSA-N 1 2 218.344 3.344 20 0 BGADLO CC[C@H]1C[C@@H](C)CN1c1cc[nH+]c(C(C)C)n1 ZINC000466630363 388120338 /nfs/dbraw/zinc/12/03/38/388120338.db2.gz ZCECXUFAXFKXLI-NEPJUHHUSA-N 1 2 233.359 3.225 20 0 BGADLO CC[C@@H]1C[C@H](C)CN1c1cc[nH+]c(C(C)C)n1 ZINC000466630364 388120485 /nfs/dbraw/zinc/12/04/85/388120485.db2.gz ZCECXUFAXFKXLI-NWDGAFQWSA-N 1 2 233.359 3.225 20 0 BGADLO CC[C@H]1C[C@H](C)CN1c1cc[nH+]c(C(C)C)n1 ZINC000466630365 388120471 /nfs/dbraw/zinc/12/04/71/388120471.db2.gz ZCECXUFAXFKXLI-RYUDHWBXSA-N 1 2 233.359 3.225 20 0 BGADLO CC[C@@H]1C[C@@H](C)CN1c1cc[nH+]c(C(C)C)n1 ZINC000466630366 388120727 /nfs/dbraw/zinc/12/07/27/388120727.db2.gz ZCECXUFAXFKXLI-VXGBXAGGSA-N 1 2 233.359 3.225 20 0 BGADLO CC[C@H]1C[C@H](C)CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000466652993 388120492 /nfs/dbraw/zinc/12/04/92/388120492.db2.gz CBOALZKMQBIFNS-GWCFXTLKSA-N 1 2 245.370 3.287 20 0 BGADLO CC[C@@H]1C[C@H](C)CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000466652994 388120403 /nfs/dbraw/zinc/12/04/03/388120403.db2.gz CBOALZKMQBIFNS-GXFFZTMASA-N 1 2 245.370 3.287 20 0 BGADLO CC[C@H]1C[C@@H](C)CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000466652995 388120772 /nfs/dbraw/zinc/12/07/72/388120772.db2.gz CBOALZKMQBIFNS-MFKMUULPSA-N 1 2 245.370 3.287 20 0 BGADLO CC[C@@H]1C[C@@H](C)CN1c1cc(C)[nH+]c(C2CC2)n1 ZINC000466652996 388120687 /nfs/dbraw/zinc/12/06/87/388120687.db2.gz CBOALZKMQBIFNS-ZWNOBZJWSA-N 1 2 245.370 3.287 20 0 BGADLO CC(C)C[C@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000467016352 528597081 /nfs/dbraw/zinc/59/70/81/528597081.db2.gz WGFQAHGEMHNCLI-CYBMUJFWSA-N 1 2 247.386 3.472 20 0 BGADLO CC(C)C[C@@H]1CCN(c2cc[nH+]c(C(C)C)n2)C1 ZINC000467016353 528389160 /nfs/dbraw/zinc/38/91/60/528389160.db2.gz WGFQAHGEMHNCLI-ZDUSSCGKSA-N 1 2 247.386 3.472 20 0 BGADLO CC[N@@H+](C[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000470202622 528752580 /nfs/dbraw/zinc/75/25/80/528752580.db2.gz JXYYHRMQOMPETB-KBPBESRZSA-N 1 2 233.355 3.328 20 0 BGADLO CC[N@H+](C[C@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000470202622 528752577 /nfs/dbraw/zinc/75/25/77/528752577.db2.gz JXYYHRMQOMPETB-KBPBESRZSA-N 1 2 233.355 3.328 20 0 BGADLO CC[N@@H+](C[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000470202623 528752483 /nfs/dbraw/zinc/75/24/83/528752483.db2.gz JXYYHRMQOMPETB-KGLIPLIRSA-N 1 2 233.355 3.328 20 0 BGADLO CC[N@H+](C[C@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000470202623 528752481 /nfs/dbraw/zinc/75/24/81/528752481.db2.gz JXYYHRMQOMPETB-KGLIPLIRSA-N 1 2 233.355 3.328 20 0 BGADLO CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000470202624 528682257 /nfs/dbraw/zinc/68/22/57/528682257.db2.gz JXYYHRMQOMPETB-UONOGXRCSA-N 1 2 233.355 3.328 20 0 BGADLO CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)c1ccccc1 ZINC000470202624 528682254 /nfs/dbraw/zinc/68/22/54/528682254.db2.gz JXYYHRMQOMPETB-UONOGXRCSA-N 1 2 233.355 3.328 20 0 BGADLO CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000470202625 528681866 /nfs/dbraw/zinc/68/18/66/528681866.db2.gz JXYYHRMQOMPETB-ZIAGYGMSSA-N 1 2 233.355 3.328 20 0 BGADLO CC[N@H+](C[C@@H]1CCO[C@H](C)C1)c1ccccc1 ZINC000470202625 528681862 /nfs/dbraw/zinc/68/18/62/528681862.db2.gz JXYYHRMQOMPETB-ZIAGYGMSSA-N 1 2 233.355 3.328 20 0 BGADLO CC(C)c1ccc(CC[NH+]2CC(F)C2)cc1 ZINC000470313506 528087223 /nfs/dbraw/zinc/08/72/23/528087223.db2.gz MVPXDUARJSITIM-UHFFFAOYSA-N 1 2 221.319 3.006 20 0 BGADLO Cc1cc(N2CC[C@@H](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000471051878 225063144 /nfs/dbraw/zinc/06/31/44/225063144.db2.gz DFCZXOCMAQUKOL-CYBMUJFWSA-N 1 2 247.386 3.391 20 0 BGADLO Cc1cc(N2CC[C@H](C(C)C)C2)nc(C(C)C)[nH+]1 ZINC000471051879 225063724 /nfs/dbraw/zinc/06/37/24/225063724.db2.gz DFCZXOCMAQUKOL-ZDUSSCGKSA-N 1 2 247.386 3.391 20 0 BGADLO CSc1cccc(C)c1NCc1c[nH+]cn1C ZINC000471956741 225091198 /nfs/dbraw/zinc/09/11/98/225091198.db2.gz VDGJYAPCOSATGU-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO CCCC1(C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000471956871 528032730 /nfs/dbraw/zinc/03/27/30/528032730.db2.gz GYINJFQBSAGNER-UHFFFAOYSA-N 1 2 232.327 3.217 20 0 BGADLO CC[N@@H+](C[C@@H]1CCCOC1)c1ccccc1C ZINC000473276956 528680960 /nfs/dbraw/zinc/68/09/60/528680960.db2.gz MRFNKAHTEAXUOL-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](C[C@@H]1CCCOC1)c1ccccc1C ZINC000473276956 528680953 /nfs/dbraw/zinc/68/09/53/528680953.db2.gz MRFNKAHTEAXUOL-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@@H+](C[C@H]1CCCOC1)c1ccccc1C ZINC000473276962 528751017 /nfs/dbraw/zinc/75/10/17/528751017.db2.gz MRFNKAHTEAXUOL-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](C[C@H]1CCCOC1)c1ccccc1C ZINC000473276962 528751008 /nfs/dbraw/zinc/75/10/08/528751008.db2.gz MRFNKAHTEAXUOL-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO CC(C)[C@H](C[NH+]1CC(F)C1)c1ccccc1 ZINC000474936542 528995302 /nfs/dbraw/zinc/99/53/02/528995302.db2.gz WTXOHQGBUPSTRK-AWEZNQCLSA-N 1 2 221.319 3.080 20 0 BGADLO CC(C)[C@@H](C[NH+]1CC(F)C1)c1ccccc1 ZINC000474936548 528445176 /nfs/dbraw/zinc/44/51/76/528445176.db2.gz WTXOHQGBUPSTRK-CQSZACIVSA-N 1 2 221.319 3.080 20 0 BGADLO C[C@H](O)CCC[N@H+]1CCCCCc2ccccc21 ZINC000474975879 225123441 /nfs/dbraw/zinc/12/34/41/225123441.db2.gz WYQWNMFLQYVEHT-AWEZNQCLSA-N 1 2 247.382 3.380 20 0 BGADLO C[C@H](O)CCC[N@@H+]1CCCCCc2ccccc21 ZINC000474975879 225123437 /nfs/dbraw/zinc/12/34/37/225123437.db2.gz WYQWNMFLQYVEHT-AWEZNQCLSA-N 1 2 247.382 3.380 20 0 BGADLO C[C@@H](O)CCC[N@H+]1CCCCCc2ccccc21 ZINC000474975880 533588853 /nfs/dbraw/zinc/58/88/53/533588853.db2.gz WYQWNMFLQYVEHT-CQSZACIVSA-N 1 2 247.382 3.380 20 0 BGADLO C[C@@H](O)CCC[N@@H+]1CCCCCc2ccccc21 ZINC000474975880 533588844 /nfs/dbraw/zinc/58/88/44/533588844.db2.gz WYQWNMFLQYVEHT-CQSZACIVSA-N 1 2 247.382 3.380 20 0 BGADLO Cc1cc(C)c2c(c1)[N@@H+](CCC[C@H](C)O)CCC2 ZINC000475023138 225126325 /nfs/dbraw/zinc/12/63/25/225126325.db2.gz MUELOPYZKQTKNF-AWEZNQCLSA-N 1 2 247.382 3.217 20 0 BGADLO Cc1cc(C)c2c(c1)[N@H+](CCC[C@H](C)O)CCC2 ZINC000475023138 225126315 /nfs/dbraw/zinc/12/63/15/225126315.db2.gz MUELOPYZKQTKNF-AWEZNQCLSA-N 1 2 247.382 3.217 20 0 BGADLO Cc1cc(C)c2c(c1)[N@@H+](CCC[C@@H](C)O)CCC2 ZINC000475023143 225126361 /nfs/dbraw/zinc/12/63/61/225126361.db2.gz MUELOPYZKQTKNF-CQSZACIVSA-N 1 2 247.382 3.217 20 0 BGADLO Cc1cc(C)c2c(c1)[N@H+](CCC[C@@H](C)O)CCC2 ZINC000475023143 225126356 /nfs/dbraw/zinc/12/63/56/225126356.db2.gz MUELOPYZKQTKNF-CQSZACIVSA-N 1 2 247.382 3.217 20 0 BGADLO CC[N@@H+](CCC[C@H](C)O)c1cc(C)cc(C)c1 ZINC000475028488 528472872 /nfs/dbraw/zinc/47/28/72/528472872.db2.gz ANPIVCIHGXUQDG-AWEZNQCLSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC[C@H](C)O)c1cc(C)cc(C)c1 ZINC000475028488 528472868 /nfs/dbraw/zinc/47/28/68/528472868.db2.gz ANPIVCIHGXUQDG-AWEZNQCLSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@@H+](CCC[C@@H](C)O)c1cc(C)cc(C)c1 ZINC000475028489 528472378 /nfs/dbraw/zinc/47/23/78/528472378.db2.gz ANPIVCIHGXUQDG-CQSZACIVSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC[C@@H](C)O)c1cc(C)cc(C)c1 ZINC000475028489 528472375 /nfs/dbraw/zinc/47/23/75/528472375.db2.gz ANPIVCIHGXUQDG-CQSZACIVSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@@H+](CCC[C@H](C)O)c1cc(C)ccc1C ZINC000475034742 528472824 /nfs/dbraw/zinc/47/28/24/528472824.db2.gz WXIZKCXVPXPJMO-AWEZNQCLSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC[C@H](C)O)c1cc(C)ccc1C ZINC000475034742 528472822 /nfs/dbraw/zinc/47/28/22/528472822.db2.gz WXIZKCXVPXPJMO-AWEZNQCLSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@@H+](CCC[C@@H](C)O)c1cc(C)ccc1C ZINC000475034746 528472412 /nfs/dbraw/zinc/47/24/12/528472412.db2.gz WXIZKCXVPXPJMO-CQSZACIVSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC[C@@H](C)O)c1cc(C)ccc1C ZINC000475034746 528472407 /nfs/dbraw/zinc/47/24/07/528472407.db2.gz WXIZKCXVPXPJMO-CQSZACIVSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@@H+](CC[C@H]1CCOC1)c1ccccc1C ZINC000475129936 528587026 /nfs/dbraw/zinc/58/70/26/528587026.db2.gz LNLXQALIZOLTOG-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](CC[C@H]1CCOC1)c1ccccc1C ZINC000475129936 528587024 /nfs/dbraw/zinc/58/70/24/528587024.db2.gz LNLXQALIZOLTOG-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@@H+](CC[C@@H]1CCOC1)c1ccccc1C ZINC000475129937 528584617 /nfs/dbraw/zinc/58/46/17/528584617.db2.gz LNLXQALIZOLTOG-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](CC[C@@H]1CCOC1)c1ccccc1C ZINC000475129937 528584608 /nfs/dbraw/zinc/58/46/08/528584608.db2.gz LNLXQALIZOLTOG-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO C[C@@H]1CCCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000475729626 534156356 /nfs/dbraw/zinc/15/63/56/534156356.db2.gz OHLKGSBTYSLZFM-GFCCVEGCSA-N 1 2 243.354 3.200 20 0 BGADLO C[C@H]1CCCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000475729627 225141408 /nfs/dbraw/zinc/14/14/08/225141408.db2.gz OHLKGSBTYSLZFM-LBPRGKRZSA-N 1 2 243.354 3.200 20 0 BGADLO Cc1cc(NCC(C)(C)C2=CCCCC2)nc[nH+]1 ZINC000475733326 225142292 /nfs/dbraw/zinc/14/22/92/225142292.db2.gz KOCSSMLQFRCGRH-UHFFFAOYSA-N 1 2 245.370 3.145 20 0 BGADLO Cc1cc[nH+]cc1CCCN(C)c1ccccc1 ZINC000476010716 225144881 /nfs/dbraw/zinc/14/48/81/225144881.db2.gz ODGILAWLWIXGKU-UHFFFAOYSA-N 1 2 240.350 3.459 20 0 BGADLO Cc1cccc(CCC[N@H+](C)CC(F)F)c1 ZINC000480700007 225205478 /nfs/dbraw/zinc/20/54/78/225205478.db2.gz GWKMGIRCYGBCTJ-UHFFFAOYSA-N 1 2 227.298 3.125 20 0 BGADLO Cc1cccc(CCC[N@@H+](C)CC(F)F)c1 ZINC000480700007 225205474 /nfs/dbraw/zinc/20/54/74/225205474.db2.gz GWKMGIRCYGBCTJ-UHFFFAOYSA-N 1 2 227.298 3.125 20 0 BGADLO FC1(F)CC[N@@H+](CCCCc2ccccc2)C1 ZINC000480885347 225208581 /nfs/dbraw/zinc/20/85/81/225208581.db2.gz ZVIQKOSCSULDHV-UHFFFAOYSA-N 1 2 239.309 3.350 20 0 BGADLO FC1(F)CC[N@H+](CCCCc2ccccc2)C1 ZINC000480885347 225208578 /nfs/dbraw/zinc/20/85/78/225208578.db2.gz ZVIQKOSCSULDHV-UHFFFAOYSA-N 1 2 239.309 3.350 20 0 BGADLO Cc1cc(N2CCC(C)=C(C)C2)nc(C(C)C)[nH+]1 ZINC000481070346 225212044 /nfs/dbraw/zinc/21/20/44/225212044.db2.gz GVABBGCEBGOWEG-UHFFFAOYSA-N 1 2 245.370 3.455 20 0 BGADLO CC1=C(C)CN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000481077218 528092660 /nfs/dbraw/zinc/09/26/60/528092660.db2.gz SNXVMHMUMHKQCD-UHFFFAOYSA-N 1 2 227.311 3.109 20 0 BGADLO CC1=C(C)CN(c2[nH+]c3ccccc3n2C)CC1 ZINC000481090107 528092216 /nfs/dbraw/zinc/09/22/16/528092216.db2.gz LPLOGIZDVWJJAV-UHFFFAOYSA-N 1 2 241.338 3.120 20 0 BGADLO Cc1cccc(CCC[N@H+]2CCC(F)(F)C2)c1 ZINC000481256229 225213519 /nfs/dbraw/zinc/21/35/19/225213519.db2.gz LTBVUSZHTJRVHV-UHFFFAOYSA-N 1 2 239.309 3.269 20 0 BGADLO Cc1cccc(CCC[N@@H+]2CCC(F)(F)C2)c1 ZINC000481256229 225213517 /nfs/dbraw/zinc/21/35/17/225213517.db2.gz LTBVUSZHTJRVHV-UHFFFAOYSA-N 1 2 239.309 3.269 20 0 BGADLO C[C@H](Cc1ccccc1)C[N@H+]1CCC(F)(F)C1 ZINC000482034395 225221681 /nfs/dbraw/zinc/22/16/81/225221681.db2.gz KVVYAUQWRXRNQP-GFCCVEGCSA-N 1 2 239.309 3.206 20 0 BGADLO C[C@H](Cc1ccccc1)C[N@@H+]1CCC(F)(F)C1 ZINC000482034395 225221677 /nfs/dbraw/zinc/22/16/77/225221677.db2.gz KVVYAUQWRXRNQP-GFCCVEGCSA-N 1 2 239.309 3.206 20 0 BGADLO C[C@@H](Cc1ccccc1)C[N@H+]1CCC(F)(F)C1 ZINC000482034396 534246946 /nfs/dbraw/zinc/24/69/46/534246946.db2.gz KVVYAUQWRXRNQP-LBPRGKRZSA-N 1 2 239.309 3.206 20 0 BGADLO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC(F)(F)C1 ZINC000482034396 534246943 /nfs/dbraw/zinc/24/69/43/534246943.db2.gz KVVYAUQWRXRNQP-LBPRGKRZSA-N 1 2 239.309 3.206 20 0 BGADLO COCC[N@@H+](CCC1CCCCC1)CC(F)F ZINC000483269746 225237530 /nfs/dbraw/zinc/23/75/30/225237530.db2.gz MXZWCCFSHBPVAY-UHFFFAOYSA-N 1 2 249.345 3.170 20 0 BGADLO COCC[N@H+](CCC1CCCCC1)CC(F)F ZINC000483269746 225237527 /nfs/dbraw/zinc/23/75/27/225237527.db2.gz MXZWCCFSHBPVAY-UHFFFAOYSA-N 1 2 249.345 3.170 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H](C)C(C)C ZINC000485541337 225256318 /nfs/dbraw/zinc/25/63/18/225256318.db2.gz ICUFZMDWTNCTHB-LLVKDONJSA-N 1 2 249.358 3.112 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NC[C@H](C)C(C)C ZINC000485541344 225255386 /nfs/dbraw/zinc/25/53/86/225255386.db2.gz ICUFZMDWTNCTHB-NSHDSACASA-N 1 2 249.358 3.112 20 0 BGADLO CCCC(C)(C)CC(=O)Nc1cc[nH+]cc1CC ZINC000485544886 527978389 /nfs/dbraw/zinc/97/83/89/527978389.db2.gz NUXCQLQDVGLYAU-UHFFFAOYSA-N 1 2 248.370 3.221 20 0 BGADLO CC(C)c1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000486347730 528094462 /nfs/dbraw/zinc/09/44/62/528094462.db2.gz VHJKIYOKUQHTMF-UHFFFAOYSA-N 1 2 244.313 3.378 20 0 BGADLO C[C@H]1CCCC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000486458842 225264544 /nfs/dbraw/zinc/26/45/44/225264544.db2.gz JUBQBRVCVHDGIC-AAEUAGOBSA-N 1 2 241.338 3.042 20 0 BGADLO C[C@@H]1CCCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000486458843 533606720 /nfs/dbraw/zinc/60/67/20/533606720.db2.gz JUBQBRVCVHDGIC-DGCLKSJQSA-N 1 2 241.338 3.042 20 0 BGADLO C[C@H]1CCCC[C@H]1Nc1cc[nH+]c2ccncc12 ZINC000486458844 225265049 /nfs/dbraw/zinc/26/50/49/225265049.db2.gz JUBQBRVCVHDGIC-WCQYABFASA-N 1 2 241.338 3.042 20 0 BGADLO C[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c2ccncc12 ZINC000486458845 225265307 /nfs/dbraw/zinc/26/53/07/225265307.db2.gz JUBQBRVCVHDGIC-YPMHNXCESA-N 1 2 241.338 3.042 20 0 BGADLO c1cc2[nH+]ccc(NC3CCCCCC3)c2cn1 ZINC000486493228 225266887 /nfs/dbraw/zinc/26/68/87/225266887.db2.gz AZBLVUOOYSDMIP-UHFFFAOYSA-N 1 2 241.338 3.186 20 0 BGADLO CCCCC[C@@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000486886282 528261185 /nfs/dbraw/zinc/26/11/85/528261185.db2.gz WKQBUAVAVAJOHZ-CYBMUJFWSA-N 1 2 233.359 3.334 20 0 BGADLO CCCCC[C@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000486886287 528274762 /nfs/dbraw/zinc/27/47/62/528274762.db2.gz WKQBUAVAVAJOHZ-ZDUSSCGKSA-N 1 2 233.359 3.334 20 0 BGADLO c1[nH+]c2c(cc1NC[C@H]1CCSC1)CCCC2 ZINC000487546486 225313815 /nfs/dbraw/zinc/31/38/15/225313815.db2.gz CVQPUXSMSNDQSI-LLVKDONJSA-N 1 2 248.395 3.125 20 0 BGADLO c1[nH+]c2c(cc1NC[C@@H]1CCSC1)CCCC2 ZINC000487546487 225313308 /nfs/dbraw/zinc/31/33/08/225313308.db2.gz CVQPUXSMSNDQSI-NSHDSACASA-N 1 2 248.395 3.125 20 0 BGADLO Cc1ccc(NC/C=C\c2ccncc2)c(C)[nH+]1 ZINC000487563454 225314213 /nfs/dbraw/zinc/31/42/13/225314213.db2.gz UYRWJQUDFDMGKP-ARJAWSKDSA-N 1 2 239.322 3.219 20 0 BGADLO Cc1ccc(NC/C=C/c2ccncc2)c(C)[nH+]1 ZINC000487563455 225314292 /nfs/dbraw/zinc/31/42/92/225314292.db2.gz UYRWJQUDFDMGKP-ONEGZZNKSA-N 1 2 239.322 3.219 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2ccc(F)cc2C)o1 ZINC000488076971 225346754 /nfs/dbraw/zinc/34/67/54/225346754.db2.gz QINWFLGIBFYJOD-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2ccc(F)cc2C)o1 ZINC000488076971 225346750 /nfs/dbraw/zinc/34/67/50/225346750.db2.gz QINWFLGIBFYJOD-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Clc1ccc(Cl)c(CCn2cc[nH+]c2)c1 ZINC000488241679 534640193 /nfs/dbraw/zinc/64/01/93/534640193.db2.gz FOEDYUUPFWHDAM-UHFFFAOYSA-N 1 2 241.121 3.433 20 0 BGADLO c1cn(Cc2ccc(C3CCC3)cc2)c[nH+]1 ZINC000488242147 225358148 /nfs/dbraw/zinc/35/81/48/225358148.db2.gz GOLFKQYRHNILCL-UHFFFAOYSA-N 1 2 212.296 3.199 20 0 BGADLO COCCOc1cc(C)ccc1[NH2+]C[C@H]1C[C@H]1C ZINC000488312914 533218116 /nfs/dbraw/zinc/21/81/16/533218116.db2.gz MABUGJRRMQNWKX-CHWSQXEVSA-N 1 2 249.354 3.088 20 0 BGADLO COCCOc1cc(C)ccc1[NH2+]C[C@@H]1C[C@H]1C ZINC000488312917 533218276 /nfs/dbraw/zinc/21/82/76/533218276.db2.gz MABUGJRRMQNWKX-OLZOCXBDSA-N 1 2 249.354 3.088 20 0 BGADLO COCCOc1cc(C)ccc1[NH2+]C[C@H]1C[C@@H]1C ZINC000488312918 533218371 /nfs/dbraw/zinc/21/83/71/533218371.db2.gz MABUGJRRMQNWKX-QWHCGFSZSA-N 1 2 249.354 3.088 20 0 BGADLO COCCOc1cc(C)ccc1[NH2+]C[C@@H]1C[C@@H]1C ZINC000488312920 533217796 /nfs/dbraw/zinc/21/77/96/533217796.db2.gz MABUGJRRMQNWKX-STQMWFEESA-N 1 2 249.354 3.088 20 0 BGADLO C[C@@H]1C[C@@H]1CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000488330687 533730992 /nfs/dbraw/zinc/73/09/92/533730992.db2.gz ZRTVFHZXLOCHJE-GHMZBOCLSA-N 1 2 245.301 3.079 20 0 BGADLO C[C@@H]1C[C@H]1CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000488330688 225376083 /nfs/dbraw/zinc/37/60/83/225376083.db2.gz ZRTVFHZXLOCHJE-MNOVXSKESA-N 1 2 245.301 3.079 20 0 BGADLO C[C@H]1C[C@H]1CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000488330689 225374762 /nfs/dbraw/zinc/37/47/62/225374762.db2.gz ZRTVFHZXLOCHJE-QWRGUYRKSA-N 1 2 245.301 3.079 20 0 BGADLO C[C@H]1C[C@@H]1CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000488330690 225376050 /nfs/dbraw/zinc/37/60/50/225376050.db2.gz ZRTVFHZXLOCHJE-WDEREUQCSA-N 1 2 245.301 3.079 20 0 BGADLO C[C@H]1C[C@H]1CNc1cccc(-c2[nH+]ccn2C)c1 ZINC000488357128 225385535 /nfs/dbraw/zinc/38/55/35/225385535.db2.gz OBTSEHCRGXPYOE-AAEUAGOBSA-N 1 2 241.338 3.155 20 0 BGADLO C[C@@H]1C[C@@H]1CNc1cccc(-c2[nH+]ccn2C)c1 ZINC000488357129 533730680 /nfs/dbraw/zinc/73/06/80/533730680.db2.gz OBTSEHCRGXPYOE-DGCLKSJQSA-N 1 2 241.338 3.155 20 0 BGADLO C[C@H]1C[C@@H]1CNc1cccc(-c2[nH+]ccn2C)c1 ZINC000488357130 225385711 /nfs/dbraw/zinc/38/57/11/225385711.db2.gz OBTSEHCRGXPYOE-WCQYABFASA-N 1 2 241.338 3.155 20 0 BGADLO C[C@@H]1C[C@H]1CNc1cccc(-c2[nH+]ccn2C)c1 ZINC000488357131 534030915 /nfs/dbraw/zinc/03/09/15/534030915.db2.gz OBTSEHCRGXPYOE-YPMHNXCESA-N 1 2 241.338 3.155 20 0 BGADLO Cc1cc(N(C)Cc2cccc(C)c2C)nc[nH+]1 ZINC000488437196 225399453 /nfs/dbraw/zinc/39/94/53/225399453.db2.gz VSHLPXCWPRYDSO-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO Cc1cccc(CN(C)c2cc[nH+]c(C)n2)c1C ZINC000488457917 388180350 /nfs/dbraw/zinc/18/03/50/388180350.db2.gz BGXJKHHARGTVEL-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO Cc1cccc(CN(C)c2cccc[nH+]2)c1C ZINC000488461036 388181399 /nfs/dbraw/zinc/18/13/99/388181399.db2.gz NJAZMMQJYRZZFZ-UHFFFAOYSA-N 1 2 226.323 3.335 20 0 BGADLO C[C@@H]1C[C@@H]1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000488522599 388184334 /nfs/dbraw/zinc/18/43/34/388184334.db2.gz ZIJPOMGYQWMUJK-CHWSQXEVSA-N 1 2 245.370 3.140 20 0 BGADLO C[C@@H]1C[C@H]1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000488522600 388184170 /nfs/dbraw/zinc/18/41/70/388184170.db2.gz ZIJPOMGYQWMUJK-OLZOCXBDSA-N 1 2 245.370 3.140 20 0 BGADLO C[C@H]1C[C@@H]1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000488522601 388184424 /nfs/dbraw/zinc/18/44/24/388184424.db2.gz ZIJPOMGYQWMUJK-QWHCGFSZSA-N 1 2 245.370 3.140 20 0 BGADLO C[C@H]1C[C@H]1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000488522602 388184414 /nfs/dbraw/zinc/18/44/14/388184414.db2.gz ZIJPOMGYQWMUJK-STQMWFEESA-N 1 2 245.370 3.140 20 0 BGADLO Fc1ccc2cc(C[N@@H+]3CCC=C(F)C3)[nH]c2c1 ZINC000488531367 388185324 /nfs/dbraw/zinc/18/53/24/388185324.db2.gz MCTAPVSIACRCCL-UHFFFAOYSA-N 1 2 248.276 3.366 20 0 BGADLO Fc1ccc2cc(C[N@H+]3CCC=C(F)C3)[nH]c2c1 ZINC000488531367 388185322 /nfs/dbraw/zinc/18/53/22/388185322.db2.gz MCTAPVSIACRCCL-UHFFFAOYSA-N 1 2 248.276 3.366 20 0 BGADLO Cc1ccoc1CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000488719047 388191950 /nfs/dbraw/zinc/19/19/50/388191950.db2.gz WCUDKMHEVTZIKU-UHFFFAOYSA-N 1 2 241.294 3.101 20 0 BGADLO Cc1ccoc1CN(C)c1cc[nH+]c(C(C)C)n1 ZINC000488749407 388193476 /nfs/dbraw/zinc/19/34/76/388193476.db2.gz MBKVYNQNKFAJJQ-UHFFFAOYSA-N 1 2 245.326 3.138 20 0 BGADLO CC(C)C[N@@H+](C[C@@H]1CCOC1)c1ccccc1 ZINC000489298238 388207486 /nfs/dbraw/zinc/20/74/86/388207486.db2.gz YCJNGOORBULXLE-AWEZNQCLSA-N 1 2 233.355 3.186 20 0 BGADLO CC(C)C[N@H+](C[C@@H]1CCOC1)c1ccccc1 ZINC000489298238 388207482 /nfs/dbraw/zinc/20/74/82/388207482.db2.gz YCJNGOORBULXLE-AWEZNQCLSA-N 1 2 233.355 3.186 20 0 BGADLO CC(C)C[N@@H+](C[C@H]1CCOC1)c1ccccc1 ZINC000489298239 388207854 /nfs/dbraw/zinc/20/78/54/388207854.db2.gz YCJNGOORBULXLE-CQSZACIVSA-N 1 2 233.355 3.186 20 0 BGADLO CC(C)C[N@H+](C[C@H]1CCOC1)c1ccccc1 ZINC000489298239 388207852 /nfs/dbraw/zinc/20/78/52/388207852.db2.gz YCJNGOORBULXLE-CQSZACIVSA-N 1 2 233.355 3.186 20 0 BGADLO Cc1nc(N2CCC(C)(C(C)C)CC2)cc[nH+]1 ZINC000489902316 388228169 /nfs/dbraw/zinc/22/81/69/388228169.db2.gz ZIWCOIZSEFREIT-UHFFFAOYSA-N 1 2 233.359 3.048 20 0 BGADLO CCOC[C@H](C)Nc1[nH+]ccc2ccc(F)cc21 ZINC000489921473 388228345 /nfs/dbraw/zinc/22/83/45/388228345.db2.gz JVCPQSCEOJXZOF-JTQLQIEISA-N 1 2 248.301 3.211 20 0 BGADLO Cc1cc(N2CC3(C2)CCCC3)nc(C(C)C)[nH+]1 ZINC000489922859 388227870 /nfs/dbraw/zinc/22/78/70/388227870.db2.gz MMCSOPKORDKJDN-UHFFFAOYSA-N 1 2 245.370 3.289 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000489929225 388229324 /nfs/dbraw/zinc/22/93/24/388229324.db2.gz AOTYOGYWWHMFGG-GRYCIOLGSA-N 1 2 247.304 3.496 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000489929230 388229046 /nfs/dbraw/zinc/22/90/46/388229046.db2.gz AOTYOGYWWHMFGG-IJLUTSLNSA-N 1 2 247.304 3.496 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000489929231 388228941 /nfs/dbraw/zinc/22/89/41/388228941.db2.gz AOTYOGYWWHMFGG-QJPTWQEYSA-N 1 2 247.304 3.496 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000489929232 388228989 /nfs/dbraw/zinc/22/89/89/388228989.db2.gz AOTYOGYWWHMFGG-SDDRHHMPSA-N 1 2 247.304 3.496 20 0 BGADLO Cc1cc(N2CC[C@@H]3CCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000490026920 388231698 /nfs/dbraw/zinc/23/16/98/388231698.db2.gz PUORDXHBAIVPPZ-AAEUAGOBSA-N 1 2 243.354 3.041 20 0 BGADLO Cc1cc(N2CC[C@H]3CCC[C@H]32)nc(C2CC2)[nH+]1 ZINC000490026922 388231515 /nfs/dbraw/zinc/23/15/15/388231515.db2.gz PUORDXHBAIVPPZ-DGCLKSJQSA-N 1 2 243.354 3.041 20 0 BGADLO Cc1cc(N2CC[C@@H]3CCC[C@H]32)nc(C2CC2)[nH+]1 ZINC000490026924 388231539 /nfs/dbraw/zinc/23/15/39/388231539.db2.gz PUORDXHBAIVPPZ-WCQYABFASA-N 1 2 243.354 3.041 20 0 BGADLO Cc1cc(N2CC[C@H]3CCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000490026926 388231376 /nfs/dbraw/zinc/23/13/76/388231376.db2.gz PUORDXHBAIVPPZ-YPMHNXCESA-N 1 2 243.354 3.041 20 0 BGADLO Cc1cc(N2CC[C@H]3CCC[C@H]32)nc(C(C)C)[nH+]1 ZINC000490044933 388232616 /nfs/dbraw/zinc/23/26/16/388232616.db2.gz NXAKJXOXGMANHU-CHWSQXEVSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2CC[C@H]3CCC[C@@H]32)nc(C(C)C)[nH+]1 ZINC000490044934 388232467 /nfs/dbraw/zinc/23/24/67/388232467.db2.gz NXAKJXOXGMANHU-OLZOCXBDSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2CC[C@@H]3CCC[C@H]32)nc(C(C)C)[nH+]1 ZINC000490044935 388232450 /nfs/dbraw/zinc/23/24/50/388232450.db2.gz NXAKJXOXGMANHU-QWHCGFSZSA-N 1 2 245.370 3.287 20 0 BGADLO Cc1cc(N2CC[C@@H]3CCC[C@@H]32)nc(C(C)C)[nH+]1 ZINC000490044936 388232560 /nfs/dbraw/zinc/23/25/60/388232560.db2.gz NXAKJXOXGMANHU-STQMWFEESA-N 1 2 245.370 3.287 20 0 BGADLO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CC(F)F ZINC000491484415 388298202 /nfs/dbraw/zinc/29/82/02/388298202.db2.gz JXHPNYURPOFUKU-JTQLQIEISA-N 1 2 239.309 3.433 20 0 BGADLO C[C@@H](c1ccc2c(c1)CCC2)[N@H+](C)CC(F)F ZINC000491484415 388298200 /nfs/dbraw/zinc/29/82/00/388298200.db2.gz JXHPNYURPOFUKU-JTQLQIEISA-N 1 2 239.309 3.433 20 0 BGADLO C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CC(F)F ZINC000491484416 388298136 /nfs/dbraw/zinc/29/81/36/388298136.db2.gz JXHPNYURPOFUKU-SNVBAGLBSA-N 1 2 239.309 3.433 20 0 BGADLO C[C@H](c1ccc2c(c1)CCC2)[N@H+](C)CC(F)F ZINC000491484416 388298135 /nfs/dbraw/zinc/29/81/35/388298135.db2.gz JXHPNYURPOFUKU-SNVBAGLBSA-N 1 2 239.309 3.433 20 0 BGADLO CCCc1csc(CNc2ccc[nH+]c2C)n1 ZINC000491894452 528671923 /nfs/dbraw/zinc/67/19/23/528671923.db2.gz QSJZTSYONDFJJP-UHFFFAOYSA-N 1 2 247.367 3.411 20 0 BGADLO CCCc1csc(CNc2ccc(C)[nH+]c2)n1 ZINC000491955818 388329689 /nfs/dbraw/zinc/32/96/89/388329689.db2.gz LUJCOVFRJQPMFF-UHFFFAOYSA-N 1 2 247.367 3.411 20 0 BGADLO CCCc1csc(CNc2c[nH+]cc(C)c2)n1 ZINC000492060604 388333404 /nfs/dbraw/zinc/33/34/04/388333404.db2.gz JENMNGCXQQIQEN-UHFFFAOYSA-N 1 2 247.367 3.411 20 0 BGADLO COCC(C)(C)CNc1c[nH+]c2c(c1)CCCC2 ZINC000492207935 388338333 /nfs/dbraw/zinc/33/83/33/388338333.db2.gz HIQQICBVTJNFJK-UHFFFAOYSA-N 1 2 248.370 3.045 20 0 BGADLO CCCc1nc(C)c(C[NH2+]Cc2occc2C)o1 ZINC000492278113 388340246 /nfs/dbraw/zinc/34/02/46/388340246.db2.gz UUOXLMKVKWIGLL-UHFFFAOYSA-N 1 2 248.326 3.127 20 0 BGADLO CCCc1csc(CNc2c[nH+]ccc2C)n1 ZINC000492287708 388340413 /nfs/dbraw/zinc/34/04/13/388340413.db2.gz AUIMYGFUPDTIAY-UHFFFAOYSA-N 1 2 247.367 3.411 20 0 BGADLO Fc1cccc(CCC[N@H+]2CCC(F)(F)C2)c1 ZINC000492785461 534516342 /nfs/dbraw/zinc/51/63/42/534516342.db2.gz TYVQYIHEDZCDNE-UHFFFAOYSA-N 1 2 243.272 3.099 20 0 BGADLO Fc1cccc(CCC[N@@H+]2CCC(F)(F)C2)c1 ZINC000492785461 534516338 /nfs/dbraw/zinc/51/63/38/534516338.db2.gz TYVQYIHEDZCDNE-UHFFFAOYSA-N 1 2 243.272 3.099 20 0 BGADLO CCc1cccc(OCC[N@H+]2CCC=C(F)C2)c1 ZINC000492812592 529542720 /nfs/dbraw/zinc/54/27/20/529542720.db2.gz ZDKFHYYYWKWGRM-UHFFFAOYSA-N 1 2 249.329 3.187 20 0 BGADLO CCc1cccc(OCC[N@@H+]2CCC=C(F)C2)c1 ZINC000492812592 529542716 /nfs/dbraw/zinc/54/27/16/529542716.db2.gz ZDKFHYYYWKWGRM-UHFFFAOYSA-N 1 2 249.329 3.187 20 0 BGADLO Cc1ccc(C)c(OCC[N@H+]2CCC=C(F)C2)c1 ZINC000492838587 226064273 /nfs/dbraw/zinc/06/42/73/226064273.db2.gz YGPNIJLTQDMSJY-UHFFFAOYSA-N 1 2 249.329 3.241 20 0 BGADLO Cc1ccc(C)c(OCC[N@@H+]2CCC=C(F)C2)c1 ZINC000492838587 226064269 /nfs/dbraw/zinc/06/42/69/226064269.db2.gz YGPNIJLTQDMSJY-UHFFFAOYSA-N 1 2 249.329 3.241 20 0 BGADLO Cc1ccc(NC(=O)/C=C/C2CCCC2)c(C)[nH+]1 ZINC000493204090 226154960 /nfs/dbraw/zinc/15/49/60/226154960.db2.gz IVRUDMJGBRKPJY-CSKARUKUSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1ccc(NC(=O)/C=C\C2CCCC2)c(C)[nH+]1 ZINC000493204092 226154605 /nfs/dbraw/zinc/15/46/05/226154605.db2.gz IVRUDMJGBRKPJY-NTMALXAHSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)/C=C/C1CCCC1 ZINC000493290974 534385123 /nfs/dbraw/zinc/38/51/23/534385123.db2.gz ANOVYAMWRPQGLB-BQYQJAHWSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)/C=C\C1CCCC1 ZINC000493290976 534385794 /nfs/dbraw/zinc/38/57/94/534385794.db2.gz ANOVYAMWRPQGLB-FPLPWBNLSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1cc(N[C@H](C)CCCC(F)(F)F)nc[nH+]1 ZINC000493601650 226245587 /nfs/dbraw/zinc/24/55/87/226245587.db2.gz CYAIBYCOWOXWGZ-MRVPVSSYSA-N 1 2 247.264 3.318 20 0 BGADLO Cc1cc(N[C@@H](C)CCCC(F)(F)F)nc[nH+]1 ZINC000493601651 226245563 /nfs/dbraw/zinc/24/55/63/226245563.db2.gz CYAIBYCOWOXWGZ-QMMMGPOBSA-N 1 2 247.264 3.318 20 0 BGADLO CN(Cc1cccc2[nH]ccc21)c1cccc[nH+]1 ZINC000493606611 529996104 /nfs/dbraw/zinc/99/61/04/529996104.db2.gz QMMCXSGTAHREBH-UHFFFAOYSA-N 1 2 237.306 3.199 20 0 BGADLO CC[N@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494019582 527904575 /nfs/dbraw/zinc/90/45/75/527904575.db2.gz UZFAUAFYIBGRJL-UHFFFAOYSA-N 1 2 234.730 3.130 20 0 BGADLO CC[N@@H+]1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000494019582 527904568 /nfs/dbraw/zinc/90/45/68/527904568.db2.gz UZFAUAFYIBGRJL-UHFFFAOYSA-N 1 2 234.730 3.130 20 0 BGADLO CC(C)CCOCC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494206978 527747900 /nfs/dbraw/zinc/74/79/00/527747900.db2.gz AJWVTXZIFJVMSZ-GFCCVEGCSA-N 1 2 249.345 3.026 20 0 BGADLO CC(C)CCOCC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494206978 527747895 /nfs/dbraw/zinc/74/78/95/527747895.db2.gz AJWVTXZIFJVMSZ-GFCCVEGCSA-N 1 2 249.345 3.026 20 0 BGADLO CC(C)CCOCC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494206979 527747463 /nfs/dbraw/zinc/74/74/63/527747463.db2.gz AJWVTXZIFJVMSZ-LBPRGKRZSA-N 1 2 249.345 3.026 20 0 BGADLO CC(C)CCOCC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494206979 527747460 /nfs/dbraw/zinc/74/74/60/527747460.db2.gz AJWVTXZIFJVMSZ-LBPRGKRZSA-N 1 2 249.345 3.026 20 0 BGADLO CC/C=C\CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494219044 528789010 /nfs/dbraw/zinc/78/90/10/528789010.db2.gz GZIRGAWUOSWAQL-DOGVGXBMSA-N 1 2 217.303 3.320 20 0 BGADLO CC/C=C\CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494219044 528789006 /nfs/dbraw/zinc/78/90/06/528789006.db2.gz GZIRGAWUOSWAQL-DOGVGXBMSA-N 1 2 217.303 3.320 20 0 BGADLO CC/C=C/CC[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494219045 528772190 /nfs/dbraw/zinc/77/21/90/528772190.db2.gz GZIRGAWUOSWAQL-SGUJLRQBSA-N 1 2 217.303 3.320 20 0 BGADLO CC/C=C/CC[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494219045 528772185 /nfs/dbraw/zinc/77/21/85/528772185.db2.gz GZIRGAWUOSWAQL-SGUJLRQBSA-N 1 2 217.303 3.320 20 0 BGADLO CC/C=C\CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494219046 528789183 /nfs/dbraw/zinc/78/91/83/528789183.db2.gz GZIRGAWUOSWAQL-WYGGZMRJSA-N 1 2 217.303 3.320 20 0 BGADLO CC/C=C\CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494219046 528789180 /nfs/dbraw/zinc/78/91/80/528789180.db2.gz GZIRGAWUOSWAQL-WYGGZMRJSA-N 1 2 217.303 3.320 20 0 BGADLO CC/C=C/CC[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494219047 528771635 /nfs/dbraw/zinc/77/16/35/528771635.db2.gz GZIRGAWUOSWAQL-ZWNMCFTASA-N 1 2 217.303 3.320 20 0 BGADLO CC/C=C/CC[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494219047 528771631 /nfs/dbraw/zinc/77/16/31/528771631.db2.gz GZIRGAWUOSWAQL-ZWNMCFTASA-N 1 2 217.303 3.320 20 0 BGADLO Cc1ccc(C[N@@H+]2CC[C@@H](C)C(F)(F)C2)cc1 ZINC000494219329 533941745 /nfs/dbraw/zinc/94/17/45/533941745.db2.gz IVBPETMHEKEZCK-GFCCVEGCSA-N 1 2 239.309 3.472 20 0 BGADLO Cc1ccc(C[N@H+]2CC[C@@H](C)C(F)(F)C2)cc1 ZINC000494219329 533941740 /nfs/dbraw/zinc/94/17/40/533941740.db2.gz IVBPETMHEKEZCK-GFCCVEGCSA-N 1 2 239.309 3.472 20 0 BGADLO Cc1ccc(C[N@@H+]2CC[C@H](C)C(F)(F)C2)cc1 ZINC000494219330 533950784 /nfs/dbraw/zinc/95/07/84/533950784.db2.gz IVBPETMHEKEZCK-LBPRGKRZSA-N 1 2 239.309 3.472 20 0 BGADLO Cc1ccc(C[N@H+]2CC[C@H](C)C(F)(F)C2)cc1 ZINC000494219330 533950783 /nfs/dbraw/zinc/95/07/83/533950783.db2.gz IVBPETMHEKEZCK-LBPRGKRZSA-N 1 2 239.309 3.472 20 0 BGADLO Cc1ccccc1C[N@@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494229640 226262747 /nfs/dbraw/zinc/26/27/47/226262747.db2.gz DPZNIQPQAXUOSJ-GFCCVEGCSA-N 1 2 239.309 3.472 20 0 BGADLO Cc1ccccc1C[N@H+]1CC[C@@H](C)C(F)(F)C1 ZINC000494229640 226262746 /nfs/dbraw/zinc/26/27/46/226262746.db2.gz DPZNIQPQAXUOSJ-GFCCVEGCSA-N 1 2 239.309 3.472 20 0 BGADLO Cc1ccccc1C[N@@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494229641 226262852 /nfs/dbraw/zinc/26/28/52/226262852.db2.gz DPZNIQPQAXUOSJ-LBPRGKRZSA-N 1 2 239.309 3.472 20 0 BGADLO Cc1ccccc1C[N@H+]1CC[C@H](C)C(F)(F)C1 ZINC000494229641 226262851 /nfs/dbraw/zinc/26/28/51/226262851.db2.gz DPZNIQPQAXUOSJ-LBPRGKRZSA-N 1 2 239.309 3.472 20 0 BGADLO Cc1cccc(C[N@@H+]2CC[C@@H](C)C(F)(F)C2)c1 ZINC000494230171 534712182 /nfs/dbraw/zinc/71/21/82/534712182.db2.gz IFACJJCUSNGVDG-GFCCVEGCSA-N 1 2 239.309 3.472 20 0 BGADLO Cc1cccc(C[N@H+]2CC[C@@H](C)C(F)(F)C2)c1 ZINC000494230171 534712181 /nfs/dbraw/zinc/71/21/81/534712181.db2.gz IFACJJCUSNGVDG-GFCCVEGCSA-N 1 2 239.309 3.472 20 0 BGADLO Cc1cccc(C[N@@H+]2CC[C@H](C)C(F)(F)C2)c1 ZINC000494230172 534711056 /nfs/dbraw/zinc/71/10/56/534711056.db2.gz IFACJJCUSNGVDG-LBPRGKRZSA-N 1 2 239.309 3.472 20 0 BGADLO Cc1cccc(C[N@H+]2CC[C@H](C)C(F)(F)C2)c1 ZINC000494230172 534711051 /nfs/dbraw/zinc/71/10/51/534711051.db2.gz IFACJJCUSNGVDG-LBPRGKRZSA-N 1 2 239.309 3.472 20 0 BGADLO C[C@@H]1CC[N@@H+](CCc2ccccc2)CC1(F)F ZINC000494251756 534033144 /nfs/dbraw/zinc/03/31/44/534033144.db2.gz SNCISSULBZSPLZ-GFCCVEGCSA-N 1 2 239.309 3.206 20 0 BGADLO C[C@@H]1CC[N@H+](CCc2ccccc2)CC1(F)F ZINC000494251756 534033133 /nfs/dbraw/zinc/03/31/33/534033133.db2.gz SNCISSULBZSPLZ-GFCCVEGCSA-N 1 2 239.309 3.206 20 0 BGADLO C[C@H]1CC[N@@H+](CCc2ccccc2)CC1(F)F ZINC000494251757 226263162 /nfs/dbraw/zinc/26/31/62/226263162.db2.gz SNCISSULBZSPLZ-LBPRGKRZSA-N 1 2 239.309 3.206 20 0 BGADLO C[C@H]1CC[N@H+](CCc2ccccc2)CC1(F)F ZINC000494251757 226263161 /nfs/dbraw/zinc/26/31/61/226263161.db2.gz SNCISSULBZSPLZ-LBPRGKRZSA-N 1 2 239.309 3.206 20 0 BGADLO C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)CC1(F)F ZINC000494273146 534054701 /nfs/dbraw/zinc/05/47/01/534054701.db2.gz FWCIKLAJNIOZTH-GHMZBOCLSA-N 1 2 215.287 3.072 20 0 BGADLO C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)CC1(F)F ZINC000494273146 534054696 /nfs/dbraw/zinc/05/46/96/534054696.db2.gz FWCIKLAJNIOZTH-GHMZBOCLSA-N 1 2 215.287 3.072 20 0 BGADLO C[C@@H]1CC[N@H+]([C@H]2C=CCCC2)CC1(F)F ZINC000494273147 534054894 /nfs/dbraw/zinc/05/48/94/534054894.db2.gz FWCIKLAJNIOZTH-MNOVXSKESA-N 1 2 215.287 3.072 20 0 BGADLO C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)CC1(F)F ZINC000494273147 534054883 /nfs/dbraw/zinc/05/48/83/534054883.db2.gz FWCIKLAJNIOZTH-MNOVXSKESA-N 1 2 215.287 3.072 20 0 BGADLO C[C@H]1CC[N@H+]([C@H]2C=CCCC2)CC1(F)F ZINC000494273148 226263484 /nfs/dbraw/zinc/26/34/84/226263484.db2.gz FWCIKLAJNIOZTH-QWRGUYRKSA-N 1 2 215.287 3.072 20 0 BGADLO C[C@H]1CC[N@@H+]([C@H]2C=CCCC2)CC1(F)F ZINC000494273148 226263483 /nfs/dbraw/zinc/26/34/83/226263483.db2.gz FWCIKLAJNIOZTH-QWRGUYRKSA-N 1 2 215.287 3.072 20 0 BGADLO C[C@H]1CC[N@H+]([C@@H]2C=CCCC2)CC1(F)F ZINC000494273149 226263426 /nfs/dbraw/zinc/26/34/26/226263426.db2.gz FWCIKLAJNIOZTH-WDEREUQCSA-N 1 2 215.287 3.072 20 0 BGADLO C[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)CC1(F)F ZINC000494273149 226263425 /nfs/dbraw/zinc/26/34/25/226263425.db2.gz FWCIKLAJNIOZTH-WDEREUQCSA-N 1 2 215.287 3.072 20 0 BGADLO CC(C)[N@@H+](C/C=C\c1ccncc1)CC(F)F ZINC000494931179 528855808 /nfs/dbraw/zinc/85/58/08/528855808.db2.gz QLGXPAXUELUEJO-ARJAWSKDSA-N 1 2 240.297 3.070 20 0 BGADLO CC(C)[N@H+](C/C=C\c1ccncc1)CC(F)F ZINC000494931179 528855802 /nfs/dbraw/zinc/85/58/02/528855802.db2.gz QLGXPAXUELUEJO-ARJAWSKDSA-N 1 2 240.297 3.070 20 0 BGADLO CC(C)[N@@H+](C/C=C/c1ccncc1)CC(F)F ZINC000494931180 528856019 /nfs/dbraw/zinc/85/60/19/528856019.db2.gz QLGXPAXUELUEJO-ONEGZZNKSA-N 1 2 240.297 3.070 20 0 BGADLO CC(C)[N@H+](C/C=C/c1ccncc1)CC(F)F ZINC000494931180 528856014 /nfs/dbraw/zinc/85/60/14/528856014.db2.gz QLGXPAXUELUEJO-ONEGZZNKSA-N 1 2 240.297 3.070 20 0 BGADLO CCC[N@@H+](C/C=C\c1ccncc1)CC(F)F ZINC000494944974 527868717 /nfs/dbraw/zinc/86/87/17/527868717.db2.gz FCUKUYIVYWARSX-ARJAWSKDSA-N 1 2 240.297 3.072 20 0 BGADLO CCC[N@H+](C/C=C\c1ccncc1)CC(F)F ZINC000494944974 527868708 /nfs/dbraw/zinc/86/87/08/527868708.db2.gz FCUKUYIVYWARSX-ARJAWSKDSA-N 1 2 240.297 3.072 20 0 BGADLO CCC[N@@H+](C/C=C/c1ccncc1)CC(F)F ZINC000494944975 527868639 /nfs/dbraw/zinc/86/86/39/527868639.db2.gz FCUKUYIVYWARSX-ONEGZZNKSA-N 1 2 240.297 3.072 20 0 BGADLO CCC[N@H+](C/C=C/c1ccncc1)CC(F)F ZINC000494944975 527868629 /nfs/dbraw/zinc/86/86/29/527868629.db2.gz FCUKUYIVYWARSX-ONEGZZNKSA-N 1 2 240.297 3.072 20 0 BGADLO C[C@]1(F)CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000494981987 226273610 /nfs/dbraw/zinc/27/36/10/226273610.db2.gz UVFHHYNYBJOXMX-JTQLQIEISA-N 1 2 233.739 3.335 20 0 BGADLO C[C@]1(F)CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494981987 226273609 /nfs/dbraw/zinc/27/36/09/226273609.db2.gz UVFHHYNYBJOXMX-JTQLQIEISA-N 1 2 233.739 3.335 20 0 BGADLO C[C@@]1(F)CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000494982002 226273711 /nfs/dbraw/zinc/27/37/11/226273711.db2.gz UVFHHYNYBJOXMX-SNVBAGLBSA-N 1 2 233.739 3.335 20 0 BGADLO C[C@@]1(F)CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000494982002 226273710 /nfs/dbraw/zinc/27/37/10/226273710.db2.gz UVFHHYNYBJOXMX-SNVBAGLBSA-N 1 2 233.739 3.335 20 0 BGADLO C[N@@H+](Cc1ccco1)Cc1scnc1C1CC1 ZINC000495075472 538927338 /nfs/dbraw/zinc/92/73/38/538927338.db2.gz ROXJXBGTROSJOI-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@H+](Cc1ccco1)Cc1scnc1C1CC1 ZINC000495075472 538927337 /nfs/dbraw/zinc/92/73/37/538927337.db2.gz ROXJXBGTROSJOI-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc(N3CCCC3)c[nH+]2)[C@@H]1C ZINC000495079288 533969534 /nfs/dbraw/zinc/96/95/34/533969534.db2.gz NFRNCLCYJKLEPL-BZPMIXESSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc(N3CCCC3)c[nH+]2)[C@H]1C ZINC000495079289 533968726 /nfs/dbraw/zinc/96/87/26/533968726.db2.gz NFRNCLCYJKLEPL-DYEKYZERSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc(N3CCCC3)c[nH+]2)[C@H]1C ZINC000495079290 533660192 /nfs/dbraw/zinc/66/01/92/533660192.db2.gz NFRNCLCYJKLEPL-MBNYWOFBSA-N 1 2 245.370 3.138 20 0 BGADLO C[C@@H]1C[C@@H](Nc2ccc(N3CCCC3)c[nH+]2)[C@@H]1C ZINC000495079291 533661960 /nfs/dbraw/zinc/66/19/60/533661960.db2.gz NFRNCLCYJKLEPL-YRGRVCCFSA-N 1 2 245.370 3.138 20 0 BGADLO C[N@@H+](Cc1ccoc1)Cc1scnc1C1CC1 ZINC000495165767 538927932 /nfs/dbraw/zinc/92/79/32/538927932.db2.gz SQUZQSOILMSKSE-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@H+](Cc1ccoc1)Cc1scnc1C1CC1 ZINC000495165767 538927931 /nfs/dbraw/zinc/92/79/31/538927931.db2.gz SQUZQSOILMSKSE-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO CC[N@@H+](C[C@@H]1CCOC1)c1cc(C)ccc1C ZINC000497738706 385342698 /nfs/dbraw/zinc/34/26/98/385342698.db2.gz VFMWRVVYJFILNB-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@H+](C[C@@H]1CCOC1)c1cc(C)ccc1C ZINC000497738706 385342694 /nfs/dbraw/zinc/34/26/94/385342694.db2.gz VFMWRVVYJFILNB-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@@H+](C[C@H]1CCOC1)c1cc(C)ccc1C ZINC000497738708 385343892 /nfs/dbraw/zinc/34/38/92/385343892.db2.gz VFMWRVVYJFILNB-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@H+](C[C@H]1CCOC1)c1cc(C)ccc1C ZINC000497738708 385343884 /nfs/dbraw/zinc/34/38/84/385343884.db2.gz VFMWRVVYJFILNB-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cc(Oc2ccn3cc[nH+]c3c2)ccc1N ZINC000498050565 226330050 /nfs/dbraw/zinc/33/00/50/226330050.db2.gz NRWQFAZZGWFFIT-UHFFFAOYSA-N 1 2 239.278 3.017 20 0 BGADLO CCCCN(CCCC)c1cc(C)[nH+]cn1 ZINC000498805874 528407615 /nfs/dbraw/zinc/40/76/15/528407615.db2.gz KWLDOIAEFQMKND-UHFFFAOYSA-N 1 2 221.348 3.192 20 0 BGADLO C[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C[C@@H]1C ZINC000499671673 534061562 /nfs/dbraw/zinc/06/15/62/534061562.db2.gz PTIQNMCUDOPYJT-NEPJUHHUSA-N 1 2 243.354 3.056 20 0 BGADLO C[C@H]1CCN(c2[nH+]c3ccccc3n2C)C[C@H]1C ZINC000499671676 533653861 /nfs/dbraw/zinc/65/38/61/533653861.db2.gz PTIQNMCUDOPYJT-NWDGAFQWSA-N 1 2 243.354 3.056 20 0 BGADLO C[C@H]1CN(c2[nH+]c3ccccc3n2C)CC[C@@H]1C ZINC000499671677 533988783 /nfs/dbraw/zinc/98/87/83/533988783.db2.gz PTIQNMCUDOPYJT-RYUDHWBXSA-N 1 2 243.354 3.056 20 0 BGADLO C[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C[C@H]1C ZINC000499671678 534061986 /nfs/dbraw/zinc/06/19/86/534061986.db2.gz PTIQNMCUDOPYJT-VXGBXAGGSA-N 1 2 243.354 3.056 20 0 BGADLO Cc1cc(NC(=O)CC2CCCCCC2)cc[nH+]1 ZINC000500308574 226325303 /nfs/dbraw/zinc/32/53/03/226325303.db2.gz YZBYYFFJSTYYOG-UHFFFAOYSA-N 1 2 246.354 3.111 20 0 BGADLO CC(C)OC[C@@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000500453955 527999700 /nfs/dbraw/zinc/99/97/00/527999700.db2.gz XEUUOUGCPPDZTE-GFCCVEGCSA-N 1 2 248.370 3.186 20 0 BGADLO CC(C)OC[C@H](C)Nc1c[nH+]c2c(c1)CCCC2 ZINC000500453956 528015806 /nfs/dbraw/zinc/01/58/06/528015806.db2.gz XEUUOUGCPPDZTE-LBPRGKRZSA-N 1 2 248.370 3.186 20 0 BGADLO Cc1cc(C)c(C[NH2+]C2(C(F)F)CC2)cc1C ZINC000500464859 226325920 /nfs/dbraw/zinc/32/59/20/226325920.db2.gz XXHUFEHAYCTNFS-UHFFFAOYSA-N 1 2 239.309 3.499 20 0 BGADLO C/C(=C/c1ccccc1)C[NH2+]C1(C(F)F)CC1 ZINC000500528176 527506891 /nfs/dbraw/zinc/50/68/91/527506891.db2.gz FAQBLQHKRKSTQE-LUAWRHEFSA-N 1 2 237.293 3.477 20 0 BGADLO C/C(=C\c1ccccc1)C[NH2+]C1(C(F)F)CC1 ZINC000500528196 527534143 /nfs/dbraw/zinc/53/41/43/527534143.db2.gz FAQBLQHKRKSTQE-PKNBQFBNSA-N 1 2 237.293 3.477 20 0 BGADLO Fc1ccc(/C=C/C[NH2+]C2(C(F)F)CC2)cc1 ZINC000500547953 534460148 /nfs/dbraw/zinc/46/01/48/534460148.db2.gz SJAGBAUSYOXIFR-OWOJBTEDSA-N 1 2 241.256 3.226 20 0 BGADLO Fc1ccc(/C=C\C[NH2+]C2(C(F)F)CC2)cc1 ZINC000500548053 226325819 /nfs/dbraw/zinc/32/58/19/226325819.db2.gz SJAGBAUSYOXIFR-UPHRSURJSA-N 1 2 241.256 3.226 20 0 BGADLO CCC[N@H+](Cc1ccc(C)cc1)CC(F)F ZINC000500955063 528135060 /nfs/dbraw/zinc/13/50/60/528135060.db2.gz BAIPLCNPJMAYQJ-UHFFFAOYSA-N 1 2 227.298 3.472 20 0 BGADLO CCC[N@@H+](Cc1ccc(C)cc1)CC(F)F ZINC000500955063 528135055 /nfs/dbraw/zinc/13/50/55/528135055.db2.gz BAIPLCNPJMAYQJ-UHFFFAOYSA-N 1 2 227.298 3.472 20 0 BGADLO FC1(F)CC[N@@H+](CCSC2CCCCC2)C1 ZINC000500989090 226326597 /nfs/dbraw/zinc/32/65/97/226326597.db2.gz KXJILRBSSHVJGU-UHFFFAOYSA-N 1 2 249.370 3.393 20 0 BGADLO FC1(F)CC[N@H+](CCSC2CCCCC2)C1 ZINC000500989090 226326596 /nfs/dbraw/zinc/32/65/96/226326596.db2.gz KXJILRBSSHVJGU-UHFFFAOYSA-N 1 2 249.370 3.393 20 0 BGADLO CCc1ccc(C[N@@H+](CC)CC(F)F)cc1 ZINC000501089924 529637182 /nfs/dbraw/zinc/63/71/82/529637182.db2.gz KUWVORGXWWTFDP-UHFFFAOYSA-N 1 2 227.298 3.336 20 0 BGADLO CCc1ccc(C[N@H+](CC)CC(F)F)cc1 ZINC000501089924 529637180 /nfs/dbraw/zinc/63/71/80/529637180.db2.gz KUWVORGXWWTFDP-UHFFFAOYSA-N 1 2 227.298 3.336 20 0 BGADLO CCC[N@@H+](CCc1ccccc1)CC(F)F ZINC000501091028 528107192 /nfs/dbraw/zinc/10/71/92/528107192.db2.gz UGKOFHBOHBXKLA-UHFFFAOYSA-N 1 2 227.298 3.206 20 0 BGADLO CCC[N@H+](CCc1ccccc1)CC(F)F ZINC000501091028 528107190 /nfs/dbraw/zinc/10/71/90/528107190.db2.gz UGKOFHBOHBXKLA-UHFFFAOYSA-N 1 2 227.298 3.206 20 0 BGADLO CCC[N@H+](Cc1cccc(C)c1)CC(F)F ZINC000501095956 528140671 /nfs/dbraw/zinc/14/06/71/528140671.db2.gz UNSARHKUNUAPOZ-UHFFFAOYSA-N 1 2 227.298 3.472 20 0 BGADLO CCC[N@@H+](Cc1cccc(C)c1)CC(F)F ZINC000501095956 528140662 /nfs/dbraw/zinc/14/06/62/528140662.db2.gz UNSARHKUNUAPOZ-UHFFFAOYSA-N 1 2 227.298 3.472 20 0 BGADLO CCC[N@H+](Cc1ccccc1C)CC(F)F ZINC000501096795 528146893 /nfs/dbraw/zinc/14/68/93/528146893.db2.gz YESGCGAGJCOSNO-UHFFFAOYSA-N 1 2 227.298 3.472 20 0 BGADLO CCC[N@@H+](Cc1ccccc1C)CC(F)F ZINC000501096795 528146886 /nfs/dbraw/zinc/14/68/86/528146886.db2.gz YESGCGAGJCOSNO-UHFFFAOYSA-N 1 2 227.298 3.472 20 0 BGADLO CC[N@H+](Cc1ccc(C)cc1C)CC(F)F ZINC000501145382 528776660 /nfs/dbraw/zinc/77/66/60/528776660.db2.gz XUARXAGMEDIZKB-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO CC[N@@H+](Cc1ccc(C)cc1C)CC(F)F ZINC000501145382 528776655 /nfs/dbraw/zinc/77/66/55/528776655.db2.gz XUARXAGMEDIZKB-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO FC(F)[C@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000502845303 226331149 /nfs/dbraw/zinc/33/11/49/226331149.db2.gz QGYPHOVCEXZPPT-CYBMUJFWSA-N 1 2 239.309 3.349 20 0 BGADLO FC(F)[C@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000502845303 226331148 /nfs/dbraw/zinc/33/11/48/226331148.db2.gz QGYPHOVCEXZPPT-CYBMUJFWSA-N 1 2 239.309 3.349 20 0 BGADLO FC(F)[C@@H]1CCCC[N@H+]1CCc1ccccc1 ZINC000502845304 226331183 /nfs/dbraw/zinc/33/11/83/226331183.db2.gz QGYPHOVCEXZPPT-ZDUSSCGKSA-N 1 2 239.309 3.349 20 0 BGADLO FC(F)[C@@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000502845304 226331182 /nfs/dbraw/zinc/33/11/82/226331182.db2.gz QGYPHOVCEXZPPT-ZDUSSCGKSA-N 1 2 239.309 3.349 20 0 BGADLO C[C@@H](F)CCSc1[nH+]cc2ccccn21 ZINC000505428107 534279696 /nfs/dbraw/zinc/27/96/96/534279696.db2.gz PZWIRSQFYKPRSX-SECBINFHSA-N 1 2 224.304 3.175 20 0 BGADLO C[C@H](F)CCSc1[nH+]cc2ccccn21 ZINC000505428109 226355151 /nfs/dbraw/zinc/35/51/51/226355151.db2.gz PZWIRSQFYKPRSX-VIFPVBQESA-N 1 2 224.304 3.175 20 0 BGADLO FCCCCSc1[nH+]cc2ccccn21 ZINC000505429466 534429964 /nfs/dbraw/zinc/42/99/64/534429964.db2.gz XYOHPWSUAQEPLM-UHFFFAOYSA-N 1 2 224.304 3.176 20 0 BGADLO COc1ccc2c(c1)[nH+]ccc2OCCCCF ZINC000505545966 533313566 /nfs/dbraw/zinc/31/35/66/533313566.db2.gz AKXDWQDQOXRDRV-UHFFFAOYSA-N 1 2 249.285 3.372 20 0 BGADLO COc1ccc2c(c1)[nH+]ccc2OCC[C@H](C)F ZINC000505546177 533313636 /nfs/dbraw/zinc/31/36/36/533313636.db2.gz CNFWQELHEZYGOK-JTQLQIEISA-N 1 2 249.285 3.370 20 0 BGADLO COc1ccc2c(c1)[nH+]ccc2OCC[C@@H](C)F ZINC000505546178 533313699 /nfs/dbraw/zinc/31/36/99/533313699.db2.gz CNFWQELHEZYGOK-SNVBAGLBSA-N 1 2 249.285 3.370 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2ccccc2F)nc1 ZINC000505609277 533877569 /nfs/dbraw/zinc/87/75/69/533877569.db2.gz MXSILSQFPANAQB-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2ccccc2F)nc1 ZINC000505609277 533877562 /nfs/dbraw/zinc/87/75/62/533877562.db2.gz MXSILSQFPANAQB-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1cc2[nH+]cn(CC[C@@H](C)F)c2cc1C ZINC000505656003 534137975 /nfs/dbraw/zinc/13/79/75/534137975.db2.gz CILSHSRVQVCCLE-LLVKDONJSA-N 1 2 220.291 3.401 20 0 BGADLO Cc1cc2[nH+]cn(CC[C@H](C)F)c2cc1C ZINC000505656006 534138023 /nfs/dbraw/zinc/13/80/23/534138023.db2.gz CILSHSRVQVCCLE-NSHDSACASA-N 1 2 220.291 3.401 20 0 BGADLO CCc1ccc(Nc2cc(C)[nH+]c(C)n2)cc1 ZINC000505669155 529689951 /nfs/dbraw/zinc/68/99/51/529689951.db2.gz DVVJLIHLXUOCMU-UHFFFAOYSA-N 1 2 227.311 3.399 20 0 BGADLO CCc1cccc(Nc2cc(C)[nH+]c(C)n2)c1 ZINC000505671280 529543489 /nfs/dbraw/zinc/54/34/89/529543489.db2.gz HGVXRQGTOKGTHN-UHFFFAOYSA-N 1 2 227.311 3.399 20 0 BGADLO CN(CCC1CCCCC1)c1cccc[nH+]1 ZINC000506781573 529877569 /nfs/dbraw/zinc/87/75/69/529877569.db2.gz RGMMMPABRBDWLD-UHFFFAOYSA-N 1 2 218.344 3.488 20 0 BGADLO COCCCCSCc1ccc(C)[nH+]c1C ZINC000507117187 226365416 /nfs/dbraw/zinc/36/54/16/226365416.db2.gz PCIKNQIBAGEILE-UHFFFAOYSA-N 1 2 239.384 3.358 20 0 BGADLO FCCCCSCc1cn2ccccc2[nH+]1 ZINC000507121496 534429812 /nfs/dbraw/zinc/42/98/12/534429812.db2.gz PCYOALOAPRRGIT-UHFFFAOYSA-N 1 2 238.331 3.317 20 0 BGADLO Cc1nocc1C[N@H+](C)[C@H](C)c1ccccc1F ZINC000507151196 226366102 /nfs/dbraw/zinc/36/61/02/226366102.db2.gz BMOBCOARHABHAI-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1nocc1C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000507151196 226366101 /nfs/dbraw/zinc/36/61/01/226366101.db2.gz BMOBCOARHABHAI-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1nocc1C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000507151197 226366290 /nfs/dbraw/zinc/36/62/90/226366290.db2.gz BMOBCOARHABHAI-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1nocc1C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000507151197 226366289 /nfs/dbraw/zinc/36/62/89/226366289.db2.gz BMOBCOARHABHAI-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO CCc1nocc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000507192525 226367253 /nfs/dbraw/zinc/36/72/53/226367253.db2.gz SCKAVGXIZKICQH-JTQLQIEISA-N 1 2 234.299 3.023 20 0 BGADLO CCc1nocc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000507192525 226367252 /nfs/dbraw/zinc/36/72/52/226367252.db2.gz SCKAVGXIZKICQH-JTQLQIEISA-N 1 2 234.299 3.023 20 0 BGADLO CCc1nocc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000507192526 226367197 /nfs/dbraw/zinc/36/71/97/226367197.db2.gz SCKAVGXIZKICQH-SNVBAGLBSA-N 1 2 234.299 3.023 20 0 BGADLO CCc1nocc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000507192526 226367196 /nfs/dbraw/zinc/36/71/96/226367196.db2.gz SCKAVGXIZKICQH-SNVBAGLBSA-N 1 2 234.299 3.023 20 0 BGADLO COc1cc(C)ccc1[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000507422066 533684536 /nfs/dbraw/zinc/68/45/36/533684536.db2.gz NBUKOHGVVCWPAB-CHWSQXEVSA-N 1 2 249.354 3.231 20 0 BGADLO COc1cc(C)ccc1[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000507422068 533687050 /nfs/dbraw/zinc/68/70/50/533687050.db2.gz NBUKOHGVVCWPAB-OLZOCXBDSA-N 1 2 249.354 3.231 20 0 BGADLO COc1cc(C)ccc1[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000507422072 533683953 /nfs/dbraw/zinc/68/39/53/533683953.db2.gz NBUKOHGVVCWPAB-QWHCGFSZSA-N 1 2 249.354 3.231 20 0 BGADLO COc1cc(C)ccc1[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000507422074 533683569 /nfs/dbraw/zinc/68/35/69/533683569.db2.gz NBUKOHGVVCWPAB-STQMWFEESA-N 1 2 249.354 3.231 20 0 BGADLO CCc1cccc(Nc2[nH+]cnc3[nH]ccc32)c1 ZINC000507957314 529542769 /nfs/dbraw/zinc/54/27/69/529542769.db2.gz RLVUINLINDRMLN-UHFFFAOYSA-N 1 2 238.294 3.264 20 0 BGADLO Fc1ccc(/C=C/C[N@@H+]2CCC=C(F)C2)cc1 ZINC000508633803 534460185 /nfs/dbraw/zinc/46/01/85/534460185.db2.gz YJSYSYLHNMLUPR-HNQUOIGGSA-N 1 2 235.277 3.398 20 0 BGADLO Fc1ccc(/C=C/C[N@H+]2CCC=C(F)C2)cc1 ZINC000508633803 534460178 /nfs/dbraw/zinc/46/01/78/534460178.db2.gz YJSYSYLHNMLUPR-HNQUOIGGSA-N 1 2 235.277 3.398 20 0 BGADLO Fc1ccc(/C=C\C[N@@H+]2CCC=C(F)C2)cc1 ZINC000508633804 226373488 /nfs/dbraw/zinc/37/34/88/226373488.db2.gz YJSYSYLHNMLUPR-IWQZZHSRSA-N 1 2 235.277 3.398 20 0 BGADLO Fc1ccc(/C=C\C[N@H+]2CCC=C(F)C2)cc1 ZINC000508633804 226373487 /nfs/dbraw/zinc/37/34/87/226373487.db2.gz YJSYSYLHNMLUPR-IWQZZHSRSA-N 1 2 235.277 3.398 20 0 BGADLO COc1ccc2[nH+]c(C)cc(OCC3CC3)c2c1 ZINC000508992519 226374109 /nfs/dbraw/zinc/37/41/09/226374109.db2.gz CRVTZTBJNCBIHN-UHFFFAOYSA-N 1 2 243.306 3.341 20 0 BGADLO Cc1cccc([N@@H+](C)CCCCF)c1C ZINC000509309029 534743332 /nfs/dbraw/zinc/74/33/32/534743332.db2.gz AJCRMSINNBJMMF-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO Cc1cccc([N@H+](C)CCCCF)c1C ZINC000509309029 534743327 /nfs/dbraw/zinc/74/33/27/534743327.db2.gz AJCRMSINNBJMMF-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO Cc1ccc(C)c([N@@H+](C)CCCCF)c1 ZINC000509311226 229270676 /nfs/dbraw/zinc/27/06/76/229270676.db2.gz RHZQXIPJEYAOEL-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO Cc1ccc(C)c([N@H+](C)CCCCF)c1 ZINC000509311226 229270671 /nfs/dbraw/zinc/27/06/71/229270671.db2.gz RHZQXIPJEYAOEL-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO Cc1cc(C)cc([N@@H+](C)CCCCF)c1 ZINC000509312967 229269936 /nfs/dbraw/zinc/26/99/36/229269936.db2.gz ZYXSJKBDXBHSRL-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO Cc1cc(C)cc([N@H+](C)CCCCF)c1 ZINC000509312967 229269930 /nfs/dbraw/zinc/26/99/30/229269930.db2.gz ZYXSJKBDXBHSRL-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO COCCCC[N@H+]1CCCc2c(C)cc(C)cc21 ZINC000509348065 229272074 /nfs/dbraw/zinc/27/20/74/229272074.db2.gz JQWAPNATMXDIPJ-UHFFFAOYSA-N 1 2 247.382 3.483 20 0 BGADLO COCCCC[N@@H+]1CCCc2c(C)cc(C)cc21 ZINC000509348065 229272071 /nfs/dbraw/zinc/27/20/71/229272071.db2.gz JQWAPNATMXDIPJ-UHFFFAOYSA-N 1 2 247.382 3.483 20 0 BGADLO CCCC(CCC)C(=O)Nc1cc[nH+]cc1CC ZINC000510530954 527993861 /nfs/dbraw/zinc/99/38/61/527993861.db2.gz KDRDVOGTQHSHCR-UHFFFAOYSA-N 1 2 248.370 3.221 20 0 BGADLO CCCC[C@@H](CC)C(=O)Nc1cc[nH+]cc1CC ZINC000510956409 528768233 /nfs/dbraw/zinc/76/82/33/528768233.db2.gz XPHKWSYVYOJFFR-GFCCVEGCSA-N 1 2 248.370 3.221 20 0 BGADLO CCCC[C@H](CC)C(=O)Nc1cc[nH+]cc1CC ZINC000510956410 528899783 /nfs/dbraw/zinc/89/97/83/528899783.db2.gz XPHKWSYVYOJFFR-LBPRGKRZSA-N 1 2 248.370 3.221 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@@H](CC)C(C)C ZINC000511879450 529502339 /nfs/dbraw/zinc/50/23/39/529502339.db2.gz LJKQFDHHHHOSOI-GFCCVEGCSA-N 1 2 248.370 3.077 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C[C@H](CC)C(C)C ZINC000511879451 529502450 /nfs/dbraw/zinc/50/24/50/529502450.db2.gz LJKQFDHHHHOSOI-LBPRGKRZSA-N 1 2 248.370 3.077 20 0 BGADLO CC[C@H](C[N@@H+](C)CC(F)F)c1ccccc1 ZINC000512036349 529332526 /nfs/dbraw/zinc/33/25/26/529332526.db2.gz HNFORRMYQLFTPB-LLVKDONJSA-N 1 2 227.298 3.377 20 0 BGADLO CC[C@H](C[N@H+](C)CC(F)F)c1ccccc1 ZINC000512036349 529332522 /nfs/dbraw/zinc/33/25/22/529332522.db2.gz HNFORRMYQLFTPB-LLVKDONJSA-N 1 2 227.298 3.377 20 0 BGADLO CC[C@@H](C[N@@H+](C)CC(F)F)c1ccccc1 ZINC000512036350 529471424 /nfs/dbraw/zinc/47/14/24/529471424.db2.gz HNFORRMYQLFTPB-NSHDSACASA-N 1 2 227.298 3.377 20 0 BGADLO CC[C@@H](C[N@H+](C)CC(F)F)c1ccccc1 ZINC000512036350 529471422 /nfs/dbraw/zinc/47/14/22/529471422.db2.gz HNFORRMYQLFTPB-NSHDSACASA-N 1 2 227.298 3.377 20 0 BGADLO Fc1ccc(/C=C\CNc2cccc[nH+]2)cc1F ZINC000512085222 229333385 /nfs/dbraw/zinc/33/33/85/229333385.db2.gz UQCPCXSGRFDBHX-ARJAWSKDSA-N 1 2 246.260 3.485 20 0 BGADLO Fc1ccc(/C=C/CNc2cccc[nH+]2)cc1F ZINC000512085223 229333764 /nfs/dbraw/zinc/33/37/64/229333764.db2.gz UQCPCXSGRFDBHX-ONEGZZNKSA-N 1 2 246.260 3.485 20 0 BGADLO c1ccc2[nH+]c(NC[C@@H]3CC=CCC3)ccc2c1 ZINC000512955574 229381341 /nfs/dbraw/zinc/38/13/41/229381341.db2.gz RTYIIFWJYBSXOM-CYBMUJFWSA-N 1 2 238.334 3.425 20 0 BGADLO c1ccc2[nH+]c(NC[C@H]3CC=CCC3)ccc2c1 ZINC000512955575 229380943 /nfs/dbraw/zinc/38/09/43/229380943.db2.gz RTYIIFWJYBSXOM-ZDUSSCGKSA-N 1 2 238.334 3.425 20 0 BGADLO COCC[N@@H+](CC(F)F)CC1CCCCCC1 ZINC000513145398 533324913 /nfs/dbraw/zinc/32/49/13/533324913.db2.gz SKDDOVXCGFUNIS-UHFFFAOYSA-N 1 2 249.345 3.170 20 0 BGADLO COCC[N@H+](CC(F)F)CC1CCCCCC1 ZINC000513145398 533324905 /nfs/dbraw/zinc/32/49/05/533324905.db2.gz SKDDOVXCGFUNIS-UHFFFAOYSA-N 1 2 249.345 3.170 20 0 BGADLO CCc1ccc(C[N@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000513188131 529640585 /nfs/dbraw/zinc/64/05/85/529640585.db2.gz MNHUYTAYGKVUOY-CYBMUJFWSA-N 1 2 239.309 3.479 20 0 BGADLO CCc1ccc(C[N@@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000513188131 529640583 /nfs/dbraw/zinc/64/05/83/529640583.db2.gz MNHUYTAYGKVUOY-CYBMUJFWSA-N 1 2 239.309 3.479 20 0 BGADLO Cc1ccc(CC[N@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000513210352 533787018 /nfs/dbraw/zinc/78/70/18/533787018.db2.gz OTDAIUZGOQIQAP-CYBMUJFWSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1ccc(CC[N@@H+]2CCC[C@@H]2C(F)F)cc1 ZINC000513210352 533787009 /nfs/dbraw/zinc/78/70/09/533787009.db2.gz OTDAIUZGOQIQAP-CYBMUJFWSA-N 1 2 239.309 3.267 20 0 BGADLO CCc1cccc(C[N@H+]2CCC[C@@H]2C(F)F)c1 ZINC000513213346 529168611 /nfs/dbraw/zinc/16/86/11/529168611.db2.gz CMZNLXQHOVYIHA-CYBMUJFWSA-N 1 2 239.309 3.479 20 0 BGADLO CCc1cccc(C[N@@H+]2CCC[C@@H]2C(F)F)c1 ZINC000513213346 529168610 /nfs/dbraw/zinc/16/86/10/529168610.db2.gz CMZNLXQHOVYIHA-CYBMUJFWSA-N 1 2 239.309 3.479 20 0 BGADLO CCc1ccccc1C[N@H+]1CCC[C@@H]1C(F)F ZINC000513216220 529579522 /nfs/dbraw/zinc/57/95/22/529579522.db2.gz YRVAKFXZMMSCOM-CYBMUJFWSA-N 1 2 239.309 3.479 20 0 BGADLO CCc1ccccc1C[N@@H+]1CCC[C@@H]1C(F)F ZINC000513216220 529579518 /nfs/dbraw/zinc/57/95/18/529579518.db2.gz YRVAKFXZMMSCOM-CYBMUJFWSA-N 1 2 239.309 3.479 20 0 BGADLO FC(F)[C@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000513223837 229397126 /nfs/dbraw/zinc/39/71/26/229397126.db2.gz PSQCZOUJMGJASU-FLUIGGAXSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000513223837 229397123 /nfs/dbraw/zinc/39/71/23/229397123.db2.gz PSQCZOUJMGJASU-FLUIGGAXSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC000513223838 229396805 /nfs/dbraw/zinc/39/68/05/229396805.db2.gz PSQCZOUJMGJASU-IBSXUBTNSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000513223838 229396803 /nfs/dbraw/zinc/39/68/03/229396803.db2.gz PSQCZOUJMGJASU-IBSXUBTNSA-N 1 2 237.293 3.429 20 0 BGADLO CCc1cnc(C[N@H+](CC)Cc2occc2C)o1 ZINC000514780655 387287516 /nfs/dbraw/zinc/28/75/16/387287516.db2.gz AHTHDHQLPZWIJF-UHFFFAOYSA-N 1 2 248.326 3.161 20 0 BGADLO CCc1cnc(C[N@@H+](CC)Cc2occc2C)o1 ZINC000514780655 387287511 /nfs/dbraw/zinc/28/75/11/387287511.db2.gz AHTHDHQLPZWIJF-UHFFFAOYSA-N 1 2 248.326 3.161 20 0 BGADLO c1[nH]cc(N[C@@H]2CCC[C@@H]2c2ccccc2)[nH+]1 ZINC000514786710 491158430 /nfs/dbraw/zinc/15/84/30/491158430.db2.gz XHDOADIMVRNRCM-CHWSQXEVSA-N 1 2 227.311 3.158 20 0 BGADLO c1[nH]cc(N[C@H]2CCC[C@@H]2c2ccccc2)[nH+]1 ZINC000514786711 491158391 /nfs/dbraw/zinc/15/83/91/491158391.db2.gz XHDOADIMVRNRCM-OLZOCXBDSA-N 1 2 227.311 3.158 20 0 BGADLO c1[nH]cc(N[C@@H]2CCC[C@H]2c2ccccc2)[nH+]1 ZINC000514786712 491158394 /nfs/dbraw/zinc/15/83/94/491158394.db2.gz XHDOADIMVRNRCM-QWHCGFSZSA-N 1 2 227.311 3.158 20 0 BGADLO c1[nH]cc(N[C@H]2CCC[C@H]2c2ccccc2)[nH+]1 ZINC000514786713 491158435 /nfs/dbraw/zinc/15/84/35/491158435.db2.gz XHDOADIMVRNRCM-STQMWFEESA-N 1 2 227.311 3.158 20 0 BGADLO CC(C)Oc1ccccc1C[NH2+]CC(C)(F)F ZINC000514878014 256724661 /nfs/dbraw/zinc/72/46/61/256724661.db2.gz KZULDSXEHFBLGH-UHFFFAOYSA-N 1 2 243.297 3.219 20 0 BGADLO CCCCOc1ccccc1CNc1c[nH]c[nH+]1 ZINC000514980002 491100452 /nfs/dbraw/zinc/10/04/52/491100452.db2.gz PDUVWDSPZWXQTK-UHFFFAOYSA-N 1 2 245.326 3.201 20 0 BGADLO CC1(CNc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000514984080 387321463 /nfs/dbraw/zinc/32/14/63/387321463.db2.gz KRZBOJYGWNJHTK-UHFFFAOYSA-N 1 2 245.301 3.223 20 0 BGADLO C[C@H](CCc1ccccc1)CNc1c[nH]c[nH+]1 ZINC000515007138 538782403 /nfs/dbraw/zinc/78/24/03/538782403.db2.gz HHMNQJCQCKIUSI-GFCCVEGCSA-N 1 2 229.327 3.091 20 0 BGADLO C[C@@H](CCc1ccccc1)CNc1c[nH]c[nH+]1 ZINC000515007139 538782657 /nfs/dbraw/zinc/78/26/57/538782657.db2.gz HHMNQJCQCKIUSI-LBPRGKRZSA-N 1 2 229.327 3.091 20 0 BGADLO Cc1ccsc1CN(C)c1nc(C)[nH+]cc1C ZINC000515071137 387332475 /nfs/dbraw/zinc/33/24/75/387332475.db2.gz BYGKUSUUPGINNV-UHFFFAOYSA-N 1 2 247.367 3.100 20 0 BGADLO Cc1ccccc1CN(C)c1nc(C)[nH+]cc1C ZINC000515097951 387335716 /nfs/dbraw/zinc/33/57/16/387335716.db2.gz YUZHVXRKMRLJNQ-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO Clc1ccc(C2CC(Nc3c[nH]c[nH+]3)C2)cc1 ZINC000515334590 491161104 /nfs/dbraw/zinc/16/11/04/491161104.db2.gz LENUOEPSMKEANT-UHFFFAOYSA-N 1 2 247.729 3.421 20 0 BGADLO c1[nH]cc(N[C@@H]2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000515335157 491161106 /nfs/dbraw/zinc/16/11/06/491161106.db2.gz XSEYBTDPXZXOKL-CHWSQXEVSA-N 1 2 227.311 3.158 20 0 BGADLO c1[nH]cc(N[C@H]2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000515335158 491161110 /nfs/dbraw/zinc/16/11/10/491161110.db2.gz XSEYBTDPXZXOKL-OLZOCXBDSA-N 1 2 227.311 3.158 20 0 BGADLO c1[nH]cc(N[C@@H]2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000515335159 491161108 /nfs/dbraw/zinc/16/11/08/491161108.db2.gz XSEYBTDPXZXOKL-QWHCGFSZSA-N 1 2 227.311 3.158 20 0 BGADLO c1[nH]cc(N[C@H]2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000515335160 491161112 /nfs/dbraw/zinc/16/11/12/491161112.db2.gz XSEYBTDPXZXOKL-STQMWFEESA-N 1 2 227.311 3.158 20 0 BGADLO Cc1ccc([C@@H]2C[C@H]2Nc2cc(C)[nH+]cn2)cc1 ZINC000515469426 387383789 /nfs/dbraw/zinc/38/37/89/387383789.db2.gz NWBCQCVCTXAPQR-UONOGXRCSA-N 1 2 239.322 3.061 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[C@@H](F)C1 ZINC000515904852 387437333 /nfs/dbraw/zinc/43/73/33/387437333.db2.gz BJSHPKXCVMAEAO-CHWSQXEVSA-N 1 2 244.313 3.268 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CC[C@@H](F)C1 ZINC000515904853 387436993 /nfs/dbraw/zinc/43/69/93/387436993.db2.gz BJSHPKXCVMAEAO-OLZOCXBDSA-N 1 2 244.313 3.268 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@@H]1CC[C@H](F)C1 ZINC000515904854 387438210 /nfs/dbraw/zinc/43/82/10/387438210.db2.gz BJSHPKXCVMAEAO-QWHCGFSZSA-N 1 2 244.313 3.268 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N[C@H]1CC[C@H](F)C1 ZINC000515904855 387437109 /nfs/dbraw/zinc/43/71/09/387437109.db2.gz BJSHPKXCVMAEAO-STQMWFEESA-N 1 2 244.313 3.268 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000516071724 387454247 /nfs/dbraw/zinc/45/42/47/387454247.db2.gz OGXOAJQKMYYIQE-QWHCGFSZSA-N 1 2 244.338 3.073 20 0 BGADLO CCc1cccc(C[N@@H+](CC)CC(F)F)c1 ZINC000516128048 387460746 /nfs/dbraw/zinc/46/07/46/387460746.db2.gz WIJFHMVLABFGSK-UHFFFAOYSA-N 1 2 227.298 3.336 20 0 BGADLO CCc1cccc(C[N@H+](CC)CC(F)F)c1 ZINC000516128048 387460743 /nfs/dbraw/zinc/46/07/43/387460743.db2.gz WIJFHMVLABFGSK-UHFFFAOYSA-N 1 2 227.298 3.336 20 0 BGADLO CCc1ccc(C[NH2+][C@@H](CC)C(F)F)s1 ZINC000516146932 387464258 /nfs/dbraw/zinc/46/42/58/387464258.db2.gz DENGELDVSIWPRG-JTQLQIEISA-N 1 2 233.327 3.444 20 0 BGADLO CCc1ccc(C[NH2+][C@H](CC)C(F)F)s1 ZINC000516146933 387463118 /nfs/dbraw/zinc/46/31/18/387463118.db2.gz DENGELDVSIWPRG-SNVBAGLBSA-N 1 2 233.327 3.444 20 0 BGADLO Cc1cc(CSCCc2cccc(C)[nH+]2)on1 ZINC000516181923 387468225 /nfs/dbraw/zinc/46/82/25/387468225.db2.gz BEYCTSUDYMHOKI-UHFFFAOYSA-N 1 2 248.351 3.162 20 0 BGADLO COCCCSCCc1[nH+]cc(C)cc1C ZINC000516182172 387467916 /nfs/dbraw/zinc/46/79/16/387467916.db2.gz LMGFRIMGXWJNSK-UHFFFAOYSA-N 1 2 239.384 3.011 20 0 BGADLO Cc1ccc([C@@H]2CCC[C@@H]2Nc2c[nH]c[nH+]2)cc1 ZINC000516357872 541487847 /nfs/dbraw/zinc/48/78/47/541487847.db2.gz NAAQHHXYVRRCBJ-KBPBESRZSA-N 1 2 241.338 3.466 20 0 BGADLO Cc1ccc([C@H]2CCC[C@@H]2Nc2c[nH]c[nH+]2)cc1 ZINC000516357873 538112685 /nfs/dbraw/zinc/11/26/85/538112685.db2.gz NAAQHHXYVRRCBJ-KGLIPLIRSA-N 1 2 241.338 3.466 20 0 BGADLO Cc1ccc([C@@H]2CCC[C@H]2Nc2c[nH]c[nH+]2)cc1 ZINC000516357874 538112736 /nfs/dbraw/zinc/11/27/36/538112736.db2.gz NAAQHHXYVRRCBJ-UONOGXRCSA-N 1 2 241.338 3.466 20 0 BGADLO Cc1ccc([C@H]2CCC[C@H]2Nc2c[nH]c[nH+]2)cc1 ZINC000516357875 538112607 /nfs/dbraw/zinc/11/26/07/538112607.db2.gz NAAQHHXYVRRCBJ-ZIAGYGMSSA-N 1 2 241.338 3.466 20 0 BGADLO Cc1ccc(C[N@H+]2Cc3cccnc3C2)c(C)c1 ZINC000516458164 387512283 /nfs/dbraw/zinc/51/22/83/387512283.db2.gz MZNHUJQZWSUGHW-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO Cc1ccc(C[N@@H+]2Cc3cccnc3C2)c(C)c1 ZINC000516458164 387512280 /nfs/dbraw/zinc/51/22/80/387512280.db2.gz MZNHUJQZWSUGHW-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO CCc1ccc(C[N@H+]2Cc3cccnc3C2)cc1 ZINC000516458272 387512757 /nfs/dbraw/zinc/51/27/57/387512757.db2.gz UUSNQPQFQQIORA-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO CCc1ccc(C[N@@H+]2Cc3cccnc3C2)cc1 ZINC000516458272 387512755 /nfs/dbraw/zinc/51/27/55/387512755.db2.gz UUSNQPQFQQIORA-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO COc1ccc(C[N@@H+](C)Cc2ccco2)c(F)c1 ZINC000516479330 387514081 /nfs/dbraw/zinc/51/40/81/387514081.db2.gz VNBWOPOANFIZKP-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO COc1ccc(C[N@H+](C)Cc2ccco2)c(F)c1 ZINC000516479330 387514076 /nfs/dbraw/zinc/51/40/76/387514076.db2.gz VNBWOPOANFIZKP-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO FC(F)C1([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000516490429 256776776 /nfs/dbraw/zinc/77/67/76/256776776.db2.gz IGVRGDDGLKXCRL-UHFFFAOYSA-N 1 2 236.265 3.055 20 0 BGADLO Cc1c[nH+]cc(NC2CCC3(CCCO3)CC2)c1 ZINC000516901449 388524188 /nfs/dbraw/zinc/52/41/88/388524188.db2.gz QTMIBDYFAUNNQL-UHFFFAOYSA-N 1 2 246.354 3.294 20 0 BGADLO Cc1c[nH+]c(C)nc1NC1CCC(F)(F)CC1 ZINC000517588896 388556065 /nfs/dbraw/zinc/55/60/65/388556065.db2.gz ULPMLNRDYKBZOG-UHFFFAOYSA-N 1 2 241.285 3.083 20 0 BGADLO Clc1cccc(C2CC(Nc3c[nH]c[nH+]3)C2)c1 ZINC000518020198 538115214 /nfs/dbraw/zinc/11/52/14/538115214.db2.gz TVEWEWNUJDLZLY-UHFFFAOYSA-N 1 2 247.729 3.421 20 0 BGADLO Fc1ccc(C[NH+]2CC(CC(F)F)C2)c(F)c1 ZINC000518172153 384762790 /nfs/dbraw/zinc/76/27/90/384762790.db2.gz ATUUMEGTIATVOV-UHFFFAOYSA-N 1 2 247.235 3.052 20 0 BGADLO Cc1cc(CSCCc2cccc(C)[nH+]2)no1 ZINC000518188037 384782693 /nfs/dbraw/zinc/78/26/93/384782693.db2.gz VHHJNZQRYQJDDW-UHFFFAOYSA-N 1 2 248.351 3.162 20 0 BGADLO Cc1ccc(C[NH2+]C(CF)CF)c(Cl)c1 ZINC000518198513 384793350 /nfs/dbraw/zinc/79/33/50/384793350.db2.gz ZDDYPABOMQCOKY-UHFFFAOYSA-N 1 2 233.689 3.046 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc[nH+]1 ZINC000518349468 384969626 /nfs/dbraw/zinc/96/96/26/384969626.db2.gz UGSPFMPVJMRQOJ-FRRDWIJNSA-N 1 2 247.386 3.259 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCC[C@@H](C)[C@H]2C)cc[nH+]1 ZINC000518349469 384973460 /nfs/dbraw/zinc/97/34/60/384973460.db2.gz UGSPFMPVJMRQOJ-JHJVBQTASA-N 1 2 247.386 3.259 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCC[C@H](C)[C@@H]2C)cc[nH+]1 ZINC000518349470 256568361 /nfs/dbraw/zinc/56/83/61/256568361.db2.gz UGSPFMPVJMRQOJ-RWMBFGLXSA-N 1 2 247.386 3.259 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCC[C@H](C)[C@H]2C)cc[nH+]1 ZINC000518349471 384973622 /nfs/dbraw/zinc/97/36/22/384973622.db2.gz UGSPFMPVJMRQOJ-YNEHKIRRSA-N 1 2 247.386 3.259 20 0 BGADLO CC(C)c1nc(N2CC=CC2)cc(C(C)(C)C)[nH+]1 ZINC000518383390 385022275 /nfs/dbraw/zinc/02/22/75/385022275.db2.gz LJQKEQMFESKENJ-UHFFFAOYSA-N 1 2 245.370 3.274 20 0 BGADLO Cc1c[nH+]c(CCSCCCF)c(C)c1 ZINC000518534341 383987989 /nfs/dbraw/zinc/98/79/89/383987989.db2.gz FRALONNCEKFSFO-UHFFFAOYSA-N 1 2 227.348 3.334 20 0 BGADLO CC(C)c1nc(N[C@H]2CC[C@H](C)CC2)cc[nH+]1 ZINC000518922489 323187899 /nfs/dbraw/zinc/18/78/99/323187899.db2.gz SOUFMUVGHRHQQJ-HAQNSBGRSA-N 1 2 233.359 3.013 20 0 BGADLO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(F)F ZINC000519007571 386985714 /nfs/dbraw/zinc/98/57/14/386985714.db2.gz YBOVQDFOEDUZIV-CMPLNLGQSA-N 1 2 243.297 3.007 20 0 BGADLO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(F)F ZINC000519007572 386985776 /nfs/dbraw/zinc/98/57/76/386985776.db2.gz YBOVQDFOEDUZIV-JQWIXIFHSA-N 1 2 243.297 3.007 20 0 BGADLO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC(C)(F)F ZINC000519007573 386986095 /nfs/dbraw/zinc/98/60/95/386986095.db2.gz YBOVQDFOEDUZIV-PWSUYJOCSA-N 1 2 243.297 3.007 20 0 BGADLO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC(C)(F)F ZINC000519007574 256641308 /nfs/dbraw/zinc/64/13/08/256641308.db2.gz YBOVQDFOEDUZIV-ZYHUDNBSSA-N 1 2 243.297 3.007 20 0 BGADLO Cc1cccc(C[N@H+]2CCC[C@@H](F)C2)c1F ZINC000519166079 387024663 /nfs/dbraw/zinc/02/46/63/387024663.db2.gz QDDIVTRZHWEFGS-GFCCVEGCSA-N 1 2 225.282 3.068 20 0 BGADLO Cc1cccc(C[N@@H+]2CCC[C@@H](F)C2)c1F ZINC000519166079 387024661 /nfs/dbraw/zinc/02/46/61/387024661.db2.gz QDDIVTRZHWEFGS-GFCCVEGCSA-N 1 2 225.282 3.068 20 0 BGADLO Cc1cccc(C[N@H+]2CCC[C@H](F)C2)c1F ZINC000519166080 387024588 /nfs/dbraw/zinc/02/45/88/387024588.db2.gz QDDIVTRZHWEFGS-LBPRGKRZSA-N 1 2 225.282 3.068 20 0 BGADLO Cc1cccc(C[N@@H+]2CCC[C@H](F)C2)c1F ZINC000519166080 387024583 /nfs/dbraw/zinc/02/45/83/387024583.db2.gz QDDIVTRZHWEFGS-LBPRGKRZSA-N 1 2 225.282 3.068 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1ccc2c(c1)CCC2 ZINC000519548058 386483515 /nfs/dbraw/zinc/48/35/15/386483515.db2.gz BADQNTVQDRXLBB-JTQLQIEISA-N 1 2 239.309 3.481 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc2c(c1)CCC2 ZINC000519548159 386484043 /nfs/dbraw/zinc/48/40/43/386484043.db2.gz BADQNTVQDRXLBB-SNVBAGLBSA-N 1 2 239.309 3.481 20 0 BGADLO CC[C@H](C)c1nc(CCc2[nH+]cccc2C)no1 ZINC000519583107 386500545 /nfs/dbraw/zinc/50/05/45/386500545.db2.gz SUNFIOUVJCWCCR-JTQLQIEISA-N 1 2 245.326 3.072 20 0 BGADLO CC[C@@H](C)c1nc(CCc2[nH+]cccc2C)no1 ZINC000519583108 386500324 /nfs/dbraw/zinc/50/03/24/386500324.db2.gz SUNFIOUVJCWCCR-SNVBAGLBSA-N 1 2 245.326 3.072 20 0 BGADLO Cc1ccc(SCCc2cccc(C)[nH+]2)nc1 ZINC000519640799 386515096 /nfs/dbraw/zinc/51/50/96/386515096.db2.gz BRYQVJJHZZSCPN-UHFFFAOYSA-N 1 2 244.363 3.428 20 0 BGADLO CCC[C@H](Cc1ccccc1)Nc1c[nH]c[nH+]1 ZINC000519788833 491101532 /nfs/dbraw/zinc/10/15/32/491101532.db2.gz GNRXIMQJNBGRSG-CYBMUJFWSA-N 1 2 229.327 3.233 20 0 BGADLO CCC[C@@H](Cc1ccccc1)Nc1c[nH]c[nH+]1 ZINC000519788865 541368830 /nfs/dbraw/zinc/36/88/30/541368830.db2.gz GNRXIMQJNBGRSG-ZDUSSCGKSA-N 1 2 229.327 3.233 20 0 BGADLO CCCOc1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000519838611 355873329 /nfs/dbraw/zinc/87/33/29/355873329.db2.gz QTYMIGYSYKMAHI-UHFFFAOYSA-N 1 2 243.297 3.220 20 0 BGADLO CC1CCC(COc2cc[nH+]cc2)CC1 ZINC000519858172 386570665 /nfs/dbraw/zinc/57/06/65/386570665.db2.gz KHEIVAZQVSZXOX-UHFFFAOYSA-N 1 2 205.301 3.287 20 0 BGADLO CC[C@@H]1CC[C@@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000520236259 386612950 /nfs/dbraw/zinc/61/29/50/386612950.db2.gz RLKSHRGUDWARPJ-DOMZBBRYSA-N 1 2 241.338 3.473 20 0 BGADLO CC[C@@H]1CC[C@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000520236260 386613162 /nfs/dbraw/zinc/61/31/62/386613162.db2.gz RLKSHRGUDWARPJ-IUODEOHRSA-N 1 2 241.338 3.473 20 0 BGADLO CC[C@H]1CC[C@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000520236261 386613941 /nfs/dbraw/zinc/61/39/41/386613941.db2.gz RLKSHRGUDWARPJ-SWLSCSKDSA-N 1 2 241.338 3.473 20 0 BGADLO CC[C@H]1CC[C@@H]1Nc1cccc(-n2cc[nH+]c2)c1 ZINC000520236262 386614247 /nfs/dbraw/zinc/61/42/47/386614247.db2.gz RLKSHRGUDWARPJ-WFASDCNBSA-N 1 2 241.338 3.473 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)C(C)(C)C ZINC000520413355 386669820 /nfs/dbraw/zinc/66/98/20/386669820.db2.gz VGWBXJNXKOMWJR-LLVKDONJSA-N 1 2 249.358 3.255 20 0 BGADLO Cc1oc2ccccc2c1C[NH2+]CC(C)(F)F ZINC000520435120 386675077 /nfs/dbraw/zinc/67/50/77/386675077.db2.gz SNPRGRMBCAMURB-UHFFFAOYSA-N 1 2 239.265 3.486 20 0 BGADLO CC(C)c1nc(NCCC2=CCCCC2)cc[nH+]1 ZINC000520703754 386760036 /nfs/dbraw/zinc/76/00/36/386760036.db2.gz RXLCKUBBLJWZGS-UHFFFAOYSA-N 1 2 245.370 3.324 20 0 BGADLO CCC(CC)[N@@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000520761546 358446319 /nfs/dbraw/zinc/44/63/19/358446319.db2.gz QNBKHYSMAAPNBW-UHFFFAOYSA-N 1 2 249.358 3.100 20 0 BGADLO CCC(CC)[N@H+](Cc1noc(C2CC2)n1)C1CC1 ZINC000520761546 358446318 /nfs/dbraw/zinc/44/63/18/358446318.db2.gz QNBKHYSMAAPNBW-UHFFFAOYSA-N 1 2 249.358 3.100 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(F)F ZINC000520838390 388537407 /nfs/dbraw/zinc/53/74/07/388537407.db2.gz ZJESFIVMWMOMMY-LLVKDONJSA-N 1 2 238.281 3.301 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(F)F ZINC000520838391 388537088 /nfs/dbraw/zinc/53/70/88/388537088.db2.gz ZJESFIVMWMOMMY-NSHDSACASA-N 1 2 238.281 3.301 20 0 BGADLO COc1ccc([C@@H](C)[NH2+]CC(C)(F)F)cc1F ZINC000521077822 388561887 /nfs/dbraw/zinc/56/18/87/388561887.db2.gz RTOHDQZPTAINSK-MRVPVSSYSA-N 1 2 247.260 3.140 20 0 BGADLO COc1ccc([C@H](C)[NH2+]CC(C)(F)F)cc1F ZINC000521077823 388562470 /nfs/dbraw/zinc/56/24/70/388562470.db2.gz RTOHDQZPTAINSK-QMMMGPOBSA-N 1 2 247.260 3.140 20 0 BGADLO Cc1ccc(NCC2Cc3ccccc3C2)c[nH+]1 ZINC000521128109 388562943 /nfs/dbraw/zinc/56/29/43/388562943.db2.gz RAFRNVYDYMLJOU-UHFFFAOYSA-N 1 2 238.334 3.217 20 0 BGADLO FC(F)(F)c1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000521128123 491101735 /nfs/dbraw/zinc/10/17/35/491101735.db2.gz RHVPAFNUHLNKPC-UHFFFAOYSA-N 1 2 241.216 3.041 20 0 BGADLO Cc1cc(N[C@H]2CCc3c2cccc3C)nc[nH+]1 ZINC000521364306 384423203 /nfs/dbraw/zinc/42/32/03/384423203.db2.gz OYEKRWGTQUSQSD-AWEZNQCLSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1cc(N[C@@H]2CCc3c2cccc3C)nc[nH+]1 ZINC000521364311 384421298 /nfs/dbraw/zinc/42/12/98/384421298.db2.gz OYEKRWGTQUSQSD-CQSZACIVSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1cccc(CCSCC2CC2)[nH+]1 ZINC000521626662 388620396 /nfs/dbraw/zinc/62/03/96/388620396.db2.gz UTPDKYGLNARRQV-UHFFFAOYSA-N 1 2 207.342 3.076 20 0 BGADLO C[C@@H]1CN(c2[nH+]ccc3cc(F)ccc32)C[C@H]1C ZINC000521867097 388636130 /nfs/dbraw/zinc/63/61/30/388636130.db2.gz CXXKYOMRENHSIH-GHMZBOCLSA-N 1 2 244.313 3.466 20 0 BGADLO C[C@H]1CN(c2[nH+]ccc3cc(F)ccc32)C[C@H]1C ZINC000521867106 388636432 /nfs/dbraw/zinc/63/64/32/388636432.db2.gz CXXKYOMRENHSIH-PHIMTYICSA-N 1 2 244.313 3.466 20 0 BGADLO C[C@H]1CN(c2[nH+]ccc3cc(F)ccc32)C[C@@H]1C ZINC000521867107 259554765 /nfs/dbraw/zinc/55/47/65/259554765.db2.gz CXXKYOMRENHSIH-QWRGUYRKSA-N 1 2 244.313 3.466 20 0 BGADLO C/C=C\CSCCc1cccc(C)[nH+]1 ZINC000521876224 388638612 /nfs/dbraw/zinc/63/86/12/388638612.db2.gz RKPFFRBCGPCVQL-ARJAWSKDSA-N 1 2 207.342 3.242 20 0 BGADLO C/C=C/CSCCc1cccc(C)[nH+]1 ZINC000521876225 388638403 /nfs/dbraw/zinc/63/84/03/388638403.db2.gz RKPFFRBCGPCVQL-ONEGZZNKSA-N 1 2 207.342 3.242 20 0 BGADLO CC(C)(C)c1ccc(CCNc2c[nH]c[nH+]2)cc1 ZINC000521947016 491085469 /nfs/dbraw/zinc/08/54/69/491085469.db2.gz RGBTUXAWJXCFPA-UHFFFAOYSA-N 1 2 243.354 3.362 20 0 BGADLO CCN(Cc1ccc(C)cc1)c1cc(C)[nH+]cn1 ZINC000522154812 388708104 /nfs/dbraw/zinc/70/81/04/388708104.db2.gz PFRYQWLSDOZRSQ-UHFFFAOYSA-N 1 2 241.338 3.120 20 0 BGADLO C[C@H](N(C)c1cc[nH+]c(C2CC2)n1)C(C)(C)C ZINC000522182745 388716126 /nfs/dbraw/zinc/71/61/26/388716126.db2.gz LJDGMKLIVCFCOD-JTQLQIEISA-N 1 2 233.359 3.225 20 0 BGADLO C[C@@H](N(C)c1cc[nH+]c(C2CC2)n1)C(C)(C)C ZINC000522182746 388715474 /nfs/dbraw/zinc/71/54/74/388715474.db2.gz LJDGMKLIVCFCOD-SNVBAGLBSA-N 1 2 233.359 3.225 20 0 BGADLO Cc1cc(NCCCC(C)(C)C)nc(C2CC2)[nH+]1 ZINC000523516006 388845181 /nfs/dbraw/zinc/84/51/81/388845181.db2.gz IBRWRHLGBOXQQG-UHFFFAOYSA-N 1 2 247.386 3.323 20 0 BGADLO CC(C)(C)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000523516085 388845068 /nfs/dbraw/zinc/84/50/68/388845068.db2.gz LLUKGQCGADJMPO-UHFFFAOYSA-N 1 2 233.359 3.014 20 0 BGADLO CCc1cnc(C[N@@H+](Cc2ccco2)C(C)C)o1 ZINC000524753423 388407100 /nfs/dbraw/zinc/40/71/00/388407100.db2.gz ZKUCUIGSGPDIFT-UHFFFAOYSA-N 1 2 248.326 3.241 20 0 BGADLO CCc1cnc(C[N@H+](Cc2ccco2)C(C)C)o1 ZINC000524753423 388407099 /nfs/dbraw/zinc/40/70/99/388407099.db2.gz ZKUCUIGSGPDIFT-UHFFFAOYSA-N 1 2 248.326 3.241 20 0 BGADLO CCc1cnc(C[N@@H+](C)Cc2ccc(C)cc2)o1 ZINC000524759207 388408350 /nfs/dbraw/zinc/40/83/50/388408350.db2.gz QLWWERXQSVQJBA-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1cnc(C[N@H+](C)Cc2ccc(C)cc2)o1 ZINC000524759207 388408349 /nfs/dbraw/zinc/40/83/49/388408349.db2.gz QLWWERXQSVQJBA-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1cnc(C[N@@H+](C)Cc2ccc(F)cc2)o1 ZINC000525270411 388423051 /nfs/dbraw/zinc/42/30/51/388423051.db2.gz KNQMLKMUIQKZSO-UHFFFAOYSA-N 1 2 248.301 3.008 20 0 BGADLO CCc1cnc(C[N@H+](C)Cc2ccc(F)cc2)o1 ZINC000525270411 388423047 /nfs/dbraw/zinc/42/30/47/388423047.db2.gz KNQMLKMUIQKZSO-UHFFFAOYSA-N 1 2 248.301 3.008 20 0 BGADLO CCc1cnc(C[N@H+](CC)Cc2ccccc2)o1 ZINC000525271118 388423575 /nfs/dbraw/zinc/42/35/75/388423575.db2.gz QNRCLBBPEBPLTR-UHFFFAOYSA-N 1 2 244.338 3.259 20 0 BGADLO CCc1cnc(C[N@@H+](CC)Cc2ccccc2)o1 ZINC000525271118 388423574 /nfs/dbraw/zinc/42/35/74/388423574.db2.gz QNRCLBBPEBPLTR-UHFFFAOYSA-N 1 2 244.338 3.259 20 0 BGADLO CCc1cnc(C[N@@H+](C)Cc2cccc(C)c2)o1 ZINC000525782669 259395612 /nfs/dbraw/zinc/39/56/12/259395612.db2.gz SMWDBXAGKNRJHK-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1cnc(C[N@H+](C)Cc2cccc(C)c2)o1 ZINC000525782669 259395611 /nfs/dbraw/zinc/39/56/11/259395611.db2.gz SMWDBXAGKNRJHK-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1cnc(C[N@@H+](C)Cc2cccc(F)c2)o1 ZINC000525788267 259397961 /nfs/dbraw/zinc/39/79/61/259397961.db2.gz YZCMXPFMMNVNKB-UHFFFAOYSA-N 1 2 248.301 3.008 20 0 BGADLO CCc1cnc(C[N@H+](C)Cc2cccc(F)c2)o1 ZINC000525788267 259397959 /nfs/dbraw/zinc/39/79/59/259397959.db2.gz YZCMXPFMMNVNKB-UHFFFAOYSA-N 1 2 248.301 3.008 20 0 BGADLO c1cn(-c2ccccc2OCCC2CC2)c[nH+]1 ZINC000525865170 487526665 /nfs/dbraw/zinc/52/66/65/487526665.db2.gz TYTOMLGOBVTTHF-UHFFFAOYSA-N 1 2 228.295 3.051 20 0 BGADLO CC[N@@H+](Cc1c(F)cccc1F)CC1(F)CC1 ZINC000525977839 388441209 /nfs/dbraw/zinc/44/12/09/388441209.db2.gz SPJWVAVZGDSCPZ-UHFFFAOYSA-N 1 2 243.272 3.289 20 0 BGADLO CC[N@H+](Cc1c(F)cccc1F)CC1(F)CC1 ZINC000525977839 388441208 /nfs/dbraw/zinc/44/12/08/388441208.db2.gz SPJWVAVZGDSCPZ-UHFFFAOYSA-N 1 2 243.272 3.289 20 0 BGADLO C[N@@H+](Cc1ccc(F)cc1Cl)CC1(F)CC1 ZINC000525977848 388441081 /nfs/dbraw/zinc/44/10/81/388441081.db2.gz TYHGQXYKOFTFMN-UHFFFAOYSA-N 1 2 245.700 3.413 20 0 BGADLO C[N@H+](Cc1ccc(F)cc1Cl)CC1(F)CC1 ZINC000525977848 388441079 /nfs/dbraw/zinc/44/10/79/388441079.db2.gz TYHGQXYKOFTFMN-UHFFFAOYSA-N 1 2 245.700 3.413 20 0 BGADLO FC1(C[N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC000525978410 388442073 /nfs/dbraw/zinc/44/20/73/388442073.db2.gz XCQRYYVDYBJULE-UHFFFAOYSA-N 1 2 239.721 3.200 20 0 BGADLO FC1(C[N@@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC000525978410 388442071 /nfs/dbraw/zinc/44/20/71/388442071.db2.gz XCQRYYVDYBJULE-UHFFFAOYSA-N 1 2 239.721 3.200 20 0 BGADLO FC1(C[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000525978929 388398404 /nfs/dbraw/zinc/39/84/04/388398404.db2.gz CAPJBKLVKTZYDP-UHFFFAOYSA-N 1 2 239.721 3.200 20 0 BGADLO FC1(C[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000525978929 388398400 /nfs/dbraw/zinc/39/84/00/388398400.db2.gz CAPJBKLVKTZYDP-UHFFFAOYSA-N 1 2 239.721 3.200 20 0 BGADLO Cc1cc(NC(=O)C2(C)CCCCC2)c(C)c[nH+]1 ZINC000526087539 262766975 /nfs/dbraw/zinc/76/69/75/262766975.db2.gz DLONPTONJWAANV-UHFFFAOYSA-N 1 2 246.354 3.029 20 0 BGADLO Cn1cc[nH+]c1-c1cccc(NCC2(F)CC2)c1 ZINC000526972555 487608194 /nfs/dbraw/zinc/60/81/94/487608194.db2.gz DNDNFGCLCNXRBB-UHFFFAOYSA-N 1 2 245.301 3.001 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(F)c(F)cc1F ZINC000526989355 386726805 /nfs/dbraw/zinc/72/68/05/386726805.db2.gz QMIXSNFIURUFIS-HTQZYQBOSA-N 1 2 229.245 3.087 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000526989356 386726771 /nfs/dbraw/zinc/72/67/71/386726771.db2.gz QMIXSNFIURUFIS-OCAPTIKFSA-N 1 2 229.245 3.087 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(F)c(F)cc1F ZINC000526989356 386726768 /nfs/dbraw/zinc/72/67/68/386726768.db2.gz QMIXSNFIURUFIS-OCAPTIKFSA-N 1 2 229.245 3.087 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1cc(F)c(F)cc1F ZINC000526989357 386726726 /nfs/dbraw/zinc/72/67/26/386726726.db2.gz QMIXSNFIURUFIS-YUMQZZPRSA-N 1 2 229.245 3.087 20 0 BGADLO CCc1ccccc1C[N@H+]1CCC(F)(F)C1 ZINC000527074944 386775233 /nfs/dbraw/zinc/77/52/33/386775233.db2.gz JSQXBWTWQXCDMK-UHFFFAOYSA-N 1 2 225.282 3.090 20 0 BGADLO CCc1ccccc1C[N@@H+]1CCC(F)(F)C1 ZINC000527074944 386775227 /nfs/dbraw/zinc/77/52/27/386775227.db2.gz JSQXBWTWQXCDMK-UHFFFAOYSA-N 1 2 225.282 3.090 20 0 BGADLO FC1(C[N@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000527218578 387539289 /nfs/dbraw/zinc/53/92/89/387539289.db2.gz IEZVWSOKTNFUBV-UHFFFAOYSA-N 1 2 244.313 3.028 20 0 BGADLO FC1(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000527218578 387539283 /nfs/dbraw/zinc/53/92/83/387539283.db2.gz IEZVWSOKTNFUBV-UHFFFAOYSA-N 1 2 244.313 3.028 20 0 BGADLO C[N@@H+](Cc1cc(Cl)ccc1F)CC1(F)CC1 ZINC000527237564 387545433 /nfs/dbraw/zinc/54/54/33/387545433.db2.gz MCSVRWJRAZNMRK-UHFFFAOYSA-N 1 2 245.700 3.413 20 0 BGADLO C[N@H+](Cc1cc(Cl)ccc1F)CC1(F)CC1 ZINC000527237564 387545430 /nfs/dbraw/zinc/54/54/30/387545430.db2.gz MCSVRWJRAZNMRK-UHFFFAOYSA-N 1 2 245.700 3.413 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000527238517 387545197 /nfs/dbraw/zinc/54/51/97/387545197.db2.gz GGDJHGJGUPTEIS-AOOOYVTPSA-N 1 2 238.400 3.423 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000527238517 387545190 /nfs/dbraw/zinc/54/51/90/387545190.db2.gz GGDJHGJGUPTEIS-AOOOYVTPSA-N 1 2 238.400 3.423 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ncc(C(C)(C)C)s1 ZINC000527238519 387546278 /nfs/dbraw/zinc/54/62/78/387546278.db2.gz GGDJHGJGUPTEIS-NXEZZACHSA-N 1 2 238.400 3.423 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1ncc(C(C)(C)C)s1 ZINC000527238521 387545751 /nfs/dbraw/zinc/54/57/51/387545751.db2.gz GGDJHGJGUPTEIS-UWVGGRQHSA-N 1 2 238.400 3.423 20 0 BGADLO C[N@@H+](Cc1ccccc1Cl)CC1(F)CC1 ZINC000527509311 387586521 /nfs/dbraw/zinc/58/65/21/387586521.db2.gz OFVFRZGMESDGRN-UHFFFAOYSA-N 1 2 227.710 3.274 20 0 BGADLO C[N@H+](Cc1ccccc1Cl)CC1(F)CC1 ZINC000527509311 387586515 /nfs/dbraw/zinc/58/65/15/387586515.db2.gz OFVFRZGMESDGRN-UHFFFAOYSA-N 1 2 227.710 3.274 20 0 BGADLO C[N@@H+](Cc1c(F)cccc1Cl)CC1(F)CC1 ZINC000527510170 387588775 /nfs/dbraw/zinc/58/87/75/387588775.db2.gz XHBQJODCMCRRRL-UHFFFAOYSA-N 1 2 245.700 3.413 20 0 BGADLO C[N@H+](Cc1c(F)cccc1Cl)CC1(F)CC1 ZINC000527510170 387588771 /nfs/dbraw/zinc/58/87/71/387588771.db2.gz XHBQJODCMCRRRL-UHFFFAOYSA-N 1 2 245.700 3.413 20 0 BGADLO CC[N@@H+](CCC(C)(C)C(=O)OC)c1ccccc1 ZINC000527524619 387595272 /nfs/dbraw/zinc/59/52/72/387595272.db2.gz PZUOYALYTZXMKL-UHFFFAOYSA-N 1 2 249.354 3.102 20 0 BGADLO CC[N@H+](CCC(C)(C)C(=O)OC)c1ccccc1 ZINC000527524619 387595267 /nfs/dbraw/zinc/59/52/67/387595267.db2.gz PZUOYALYTZXMKL-UHFFFAOYSA-N 1 2 249.354 3.102 20 0 BGADLO Cc1nc([C@H]2CCC[N@H+]2CC2(F)CC2)cs1 ZINC000527524753 387596507 /nfs/dbraw/zinc/59/65/07/387596507.db2.gz WOLBVGRJRNHSJM-LLVKDONJSA-N 1 2 240.347 3.091 20 0 BGADLO Cc1nc([C@H]2CCC[N@@H+]2CC2(F)CC2)cs1 ZINC000527524753 387596505 /nfs/dbraw/zinc/59/65/05/387596505.db2.gz WOLBVGRJRNHSJM-LLVKDONJSA-N 1 2 240.347 3.091 20 0 BGADLO FC1(C[N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC000527528227 398170954 /nfs/dbraw/zinc/17/09/54/398170954.db2.gz JTJXAVSQXYWKHQ-UHFFFAOYSA-N 1 2 239.721 3.200 20 0 BGADLO FC1(C[N@@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC000527528227 398170951 /nfs/dbraw/zinc/17/09/51/398170951.db2.gz JTJXAVSQXYWKHQ-UHFFFAOYSA-N 1 2 239.721 3.200 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(F)c(F)c(F)c1 ZINC000527529592 387597977 /nfs/dbraw/zinc/59/79/77/387597977.db2.gz FSJFFLZGTBYJTF-HTQZYQBOSA-N 1 2 229.245 3.087 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000527529593 387598131 /nfs/dbraw/zinc/59/81/31/387598131.db2.gz FSJFFLZGTBYJTF-OCAPTIKFSA-N 1 2 229.245 3.087 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000527529593 387598126 /nfs/dbraw/zinc/59/81/26/387598126.db2.gz FSJFFLZGTBYJTF-OCAPTIKFSA-N 1 2 229.245 3.087 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1cc(F)c(F)c(F)c1 ZINC000527529594 387598105 /nfs/dbraw/zinc/59/81/05/387598105.db2.gz FSJFFLZGTBYJTF-YUMQZZPRSA-N 1 2 229.245 3.087 20 0 BGADLO Cc1cc(C[N@H+]2Cc3cccc(F)c3C2)ccn1 ZINC000527539201 387609407 /nfs/dbraw/zinc/60/94/07/387609407.db2.gz JNVSKFKJZWRECR-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cc(C[N@@H+]2Cc3cccc(F)c3C2)ccn1 ZINC000527539201 387609403 /nfs/dbraw/zinc/60/94/03/387609403.db2.gz JNVSKFKJZWRECR-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Fc1ccc(F)c(C[NH+]2CCCC2)c1Cl ZINC000527633972 387645477 /nfs/dbraw/zinc/64/54/77/387645477.db2.gz SKVXUXJZRVRRET-UHFFFAOYSA-N 1 2 231.673 3.214 20 0 BGADLO Cc1ccc(N[C@@H](C)[C@@H]2C[C@H]2C2CC2)c[nH+]1 ZINC000527675624 387655319 /nfs/dbraw/zinc/65/53/19/387655319.db2.gz OEVVGLAWUVFKIQ-BPNCWPANSA-N 1 2 216.328 3.237 20 0 BGADLO Cc1ccc(N[C@H](C)[C@@H]2C[C@H]2C2CC2)c[nH+]1 ZINC000527675627 387656772 /nfs/dbraw/zinc/65/67/72/387656772.db2.gz OEVVGLAWUVFKIQ-SWHYSGLUSA-N 1 2 216.328 3.237 20 0 BGADLO Cc1cc(CNc2ccc(C)[nH+]c2C)ccn1 ZINC000527680704 387655283 /nfs/dbraw/zinc/65/52/83/387655283.db2.gz FZHANGULOXNZAZ-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000527681324 387656333 /nfs/dbraw/zinc/65/63/33/387656333.db2.gz OBCDHTISPDYARY-BPNCWPANSA-N 1 2 216.328 3.237 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000527681326 387656992 /nfs/dbraw/zinc/65/69/92/387656992.db2.gz OBCDHTISPDYARY-SWHYSGLUSA-N 1 2 216.328 3.237 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527682140 387655413 /nfs/dbraw/zinc/65/54/13/387655413.db2.gz RHDUCJNOQYQTGI-ICCXJUOJSA-N 1 2 216.328 3.237 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527682145 387657010 /nfs/dbraw/zinc/65/70/10/387657010.db2.gz RHDUCJNOQYQTGI-XDTLVQLUSA-N 1 2 216.328 3.237 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C(F)(F)F ZINC000527696457 387686556 /nfs/dbraw/zinc/68/65/56/387686556.db2.gz JKDRVAYHEQCISY-ASXGKARISA-N 1 2 235.293 3.352 20 0 BGADLO CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C(F)(F)F ZINC000527696459 387687836 /nfs/dbraw/zinc/68/78/36/387687836.db2.gz JKDRVAYHEQCISY-PXIYARARSA-N 1 2 235.293 3.352 20 0 BGADLO FC(F)C1([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527705671 387668174 /nfs/dbraw/zinc/66/81/74/387668174.db2.gz XYSBCFMOXQJHBQ-UHFFFAOYSA-N 1 2 236.265 3.055 20 0 BGADLO C[C@H]([NH2+][C@@H](C1CC1)C(F)(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000527709273 387670251 /nfs/dbraw/zinc/67/02/51/387670251.db2.gz LIBSJDSLYUNOHV-BVALORAHSA-N 1 2 247.304 3.352 20 0 BGADLO C[C@@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000527709276 387670269 /nfs/dbraw/zinc/67/02/69/387670269.db2.gz LIBSJDSLYUNOHV-GMEFYDFLSA-N 1 2 247.304 3.352 20 0 BGADLO C[C@@H]([NH2+][C@@H](C1CC1)C(F)(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000527709277 387669841 /nfs/dbraw/zinc/66/98/41/387669841.db2.gz LIBSJDSLYUNOHV-VNLLXPHSSA-N 1 2 247.304 3.352 20 0 BGADLO C[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@@H]1C[C@H]1C1CC1 ZINC000527709280 387669601 /nfs/dbraw/zinc/66/96/01/387669601.db2.gz LIBSJDSLYUNOHV-ZZKLTDFHSA-N 1 2 247.304 3.352 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(F)F ZINC000527714627 387671905 /nfs/dbraw/zinc/67/19/05/387671905.db2.gz YEJXLZQECASDMS-LLVKDONJSA-N 1 2 238.281 3.301 20 0 BGADLO CC[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(F)F ZINC000527714628 387671861 /nfs/dbraw/zinc/67/18/61/387671861.db2.gz YEJXLZQECASDMS-NSHDSACASA-N 1 2 238.281 3.301 20 0 BGADLO Clc1cc2c(cc1NCc1[nH]cc[nH+]1)CCC2 ZINC000527806529 387731959 /nfs/dbraw/zinc/73/19/59/387731959.db2.gz JFKRYJPSSQVIBG-UHFFFAOYSA-N 1 2 247.729 3.164 20 0 BGADLO Cc1cccc([C@@H]([NH2+]Cc2ccn[nH]2)C(C)C)c1 ZINC000527813365 387734005 /nfs/dbraw/zinc/73/40/05/387734005.db2.gz LCOIPOJUOMVLAZ-HNNXBMFYSA-N 1 2 243.354 3.205 20 0 BGADLO Cc1cccc([C@H]([NH2+]Cc2ccn[nH]2)C(C)C)c1 ZINC000527813368 387734427 /nfs/dbraw/zinc/73/44/27/387734427.db2.gz LCOIPOJUOMVLAZ-OAHLLOKOSA-N 1 2 243.354 3.205 20 0 BGADLO CC[C@H]([NH2+]Cc1ccn[nH]1)c1cc(C)ccc1C ZINC000527823131 387746681 /nfs/dbraw/zinc/74/66/81/387746681.db2.gz RXWLYASOPXDALO-HNNXBMFYSA-N 1 2 243.354 3.267 20 0 BGADLO CC[C@@H]([NH2+]Cc1ccn[nH]1)c1cc(C)ccc1C ZINC000527823133 387746858 /nfs/dbraw/zinc/74/68/58/387746858.db2.gz RXWLYASOPXDALO-OAHLLOKOSA-N 1 2 243.354 3.267 20 0 BGADLO C[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527824591 387745489 /nfs/dbraw/zinc/74/54/89/387745489.db2.gz ZQCATUNOCYNYMQ-GFCCVEGCSA-N 1 2 226.323 3.471 20 0 BGADLO C[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527824592 387745385 /nfs/dbraw/zinc/74/53/85/387745385.db2.gz ZQCATUNOCYNYMQ-LBPRGKRZSA-N 1 2 226.323 3.471 20 0 BGADLO CCc1ccc(C[NH2+][C@@H](C)c2ncccc2F)o1 ZINC000527825482 387745729 /nfs/dbraw/zinc/74/57/29/387745729.db2.gz BYFCIQJGGBHQEN-JTQLQIEISA-N 1 2 248.301 3.227 20 0 BGADLO COc1ccc[nH+]c1N(C)Cc1ccccc1C ZINC000527826431 387745165 /nfs/dbraw/zinc/74/51/65/387745165.db2.gz LORXVNSGCAHHCC-UHFFFAOYSA-N 1 2 242.322 3.035 20 0 BGADLO COc1ccc[nH+]c1N(C)Cc1sccc1C ZINC000527832628 387748418 /nfs/dbraw/zinc/74/84/18/387748418.db2.gz QTZUGFLNXBNKCR-UHFFFAOYSA-N 1 2 248.351 3.097 20 0 BGADLO CN(CC1CC1)c1[nH+]ccc2ccccc21 ZINC000527850678 323706766 /nfs/dbraw/zinc/70/67/66/323706766.db2.gz KAKNVFHEEOAEDO-UHFFFAOYSA-N 1 2 212.296 3.081 20 0 BGADLO CC(C)c1cccc([C@@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000527860207 387760965 /nfs/dbraw/zinc/76/09/65/387760965.db2.gz VEJUUKHJHJDOQH-GFCCVEGCSA-N 1 2 243.354 3.384 20 0 BGADLO CC(C)c1cccc([C@H](C)[NH2+]Cc2ccn[nH]2)c1 ZINC000527860208 387760354 /nfs/dbraw/zinc/76/03/54/387760354.db2.gz VEJUUKHJHJDOQH-LBPRGKRZSA-N 1 2 243.354 3.384 20 0 BGADLO CCCN(C)c1[nH+]ccc2ccccc21 ZINC000527863529 387738741 /nfs/dbraw/zinc/73/87/41/387738741.db2.gz IGOIRNPCXFVQBT-UHFFFAOYSA-N 1 2 200.285 3.081 20 0 BGADLO CC(C)CN(C)c1[nH+]ccc2ccccc21 ZINC000527869684 387740272 /nfs/dbraw/zinc/74/02/72/387740272.db2.gz VTODGUQKZMPIJI-UHFFFAOYSA-N 1 2 214.312 3.327 20 0 BGADLO C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527875085 387767383 /nfs/dbraw/zinc/76/73/83/387767383.db2.gz JXAPONDXEFMVSB-LLVKDONJSA-N 1 2 212.296 3.081 20 0 BGADLO C[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527875087 387766995 /nfs/dbraw/zinc/76/69/95/387766995.db2.gz JXAPONDXEFMVSB-NSHDSACASA-N 1 2 212.296 3.081 20 0 BGADLO COc1ccc[nH+]c1N(C)Cc1ccc(C)s1 ZINC000527883612 387770702 /nfs/dbraw/zinc/77/07/02/387770702.db2.gz VDMILHOUUHVKHP-UHFFFAOYSA-N 1 2 248.351 3.097 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC12CC2)C(F)(F)F ZINC000527892770 387776020 /nfs/dbraw/zinc/77/60/20/387776020.db2.gz LPMUENUZDWENPA-AEJSXWLSSA-N 1 2 235.293 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC12CC2)C(F)(F)F ZINC000527892771 387775472 /nfs/dbraw/zinc/77/54/72/387775472.db2.gz LPMUENUZDWENPA-BBBLOLIVSA-N 1 2 235.293 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)C(F)(F)F ZINC000527892772 387776514 /nfs/dbraw/zinc/77/65/14/387776514.db2.gz LPMUENUZDWENPA-GUBZILKMSA-N 1 2 235.293 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC12CC2)C(F)(F)F ZINC000527892773 262891877 /nfs/dbraw/zinc/89/18/77/262891877.db2.gz LPMUENUZDWENPA-UTLUCORTSA-N 1 2 235.293 3.352 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)C(F)(F)F ZINC000527893149 387776794 /nfs/dbraw/zinc/77/67/94/387776794.db2.gz MTKIWWLZCSKUFH-CIUDSAMLSA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@H]([NH2+][C@H](C)[C@H]1CC12CC2)C(F)(F)F ZINC000527893152 387776209 /nfs/dbraw/zinc/77/62/09/387776209.db2.gz MTKIWWLZCSKUFH-HLTSFMKQSA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@H]([NH2+][C@H](C)[C@@H]1CC12CC2)C(F)(F)F ZINC000527893155 387775832 /nfs/dbraw/zinc/77/58/32/387775832.db2.gz MTKIWWLZCSKUFH-VGMNWLOBSA-N 1 2 221.266 3.106 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)[C@H]1CC12CC2)C(F)(F)F ZINC000527893157 387776433 /nfs/dbraw/zinc/77/64/33/387776433.db2.gz MTKIWWLZCSKUFH-YIZRAAEISA-N 1 2 221.266 3.106 20 0 BGADLO C[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@H]1CC12CC2 ZINC000527897278 387778176 /nfs/dbraw/zinc/77/81/76/387778176.db2.gz FWFJUZFFRCZVHW-FXBDTBDDSA-N 1 2 233.277 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H](C1CC1)C(F)(F)F)[C@@H]1CC12CC2 ZINC000527897284 387778085 /nfs/dbraw/zinc/77/80/85/387778085.db2.gz FWFJUZFFRCZVHW-HGNGGELXSA-N 1 2 233.277 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H](C1CC1)C(F)(F)F)[C@H]1CC12CC2 ZINC000527897286 387778293 /nfs/dbraw/zinc/77/82/93/387778293.db2.gz FWFJUZFFRCZVHW-SFGNSQDASA-N 1 2 233.277 3.106 20 0 BGADLO C[C@H]([NH2+][C@H](C1CC1)C(F)(F)F)[C@@H]1CC12CC2 ZINC000527897289 387777533 /nfs/dbraw/zinc/77/75/33/387777533.db2.gz FWFJUZFFRCZVHW-UJNFCWOMSA-N 1 2 233.277 3.106 20 0 BGADLO COc1ccc[nH+]c1N1CCC2(CCCC2)CC1 ZINC000527897847 387778304 /nfs/dbraw/zinc/77/83/04/387778304.db2.gz GPYOZLMGDYTDLL-UHFFFAOYSA-N 1 2 246.354 3.251 20 0 BGADLO COc1ccc[nH+]c1N1CCC2(C1)CCCCC2 ZINC000527906855 387762120 /nfs/dbraw/zinc/76/21/20/387762120.db2.gz AMJPUXPLQRAJKT-UHFFFAOYSA-N 1 2 246.354 3.251 20 0 BGADLO C[C@H]1CN(c2[nH+]ccc3ccccc32)C[C@@H]1C ZINC000527908915 387764181 /nfs/dbraw/zinc/76/41/81/387764181.db2.gz GTLJIWSPPUUWDY-RYUDHWBXSA-N 1 2 226.323 3.327 20 0 BGADLO C[C@H]1CN(c2[nH+]ccc3ccccc32)C[C@H]1C ZINC000527908917 323718868 /nfs/dbraw/zinc/71/88/68/323718868.db2.gz GTLJIWSPPUUWDY-TXEJJXNPSA-N 1 2 226.323 3.327 20 0 BGADLO C[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@H]1C ZINC000527908919 323718726 /nfs/dbraw/zinc/71/87/26/323718726.db2.gz GTLJIWSPPUUWDY-VXGBXAGGSA-N 1 2 226.323 3.327 20 0 BGADLO CC1(C)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527909404 387764027 /nfs/dbraw/zinc/76/40/27/387764027.db2.gz JHABOQYRBUCRGK-UHFFFAOYSA-N 1 2 226.323 3.471 20 0 BGADLO C[C@@H]1CCN(c2[nH+]ccc3ccccc32)[C@H]1C ZINC000527912243 323720268 /nfs/dbraw/zinc/72/02/68/323720268.db2.gz LLDAMWWXPLHKOI-NEPJUHHUSA-N 1 2 226.323 3.470 20 0 BGADLO C[C@@H]1[C@@H](C)CCN1c1[nH+]ccc2ccccc21 ZINC000527912249 323719829 /nfs/dbraw/zinc/71/98/29/323719829.db2.gz LLDAMWWXPLHKOI-NWDGAFQWSA-N 1 2 226.323 3.470 20 0 BGADLO C[C@H]1CCN(c2[nH+]ccc3ccccc32)[C@H]1C ZINC000527912253 387765105 /nfs/dbraw/zinc/76/51/05/387765105.db2.gz LLDAMWWXPLHKOI-RYUDHWBXSA-N 1 2 226.323 3.470 20 0 BGADLO C[C@@H]1CCN(c2[nH+]ccc3ccccc32)[C@@H]1C ZINC000527912258 387764219 /nfs/dbraw/zinc/76/42/19/387764219.db2.gz LLDAMWWXPLHKOI-VXGBXAGGSA-N 1 2 226.323 3.470 20 0 BGADLO COc1ccc[nH+]c1N1Cc2ccccc2[C@H]1C ZINC000527915653 387786047 /nfs/dbraw/zinc/78/60/47/387786047.db2.gz PVCYLFSPAPIWMY-LLVKDONJSA-N 1 2 240.306 3.171 20 0 BGADLO COc1ccc[nH+]c1N1Cc2ccccc2[C@@H]1C ZINC000527915656 262894129 /nfs/dbraw/zinc/89/41/29/262894129.db2.gz PVCYLFSPAPIWMY-NSHDSACASA-N 1 2 240.306 3.171 20 0 BGADLO CC1(C)[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]21 ZINC000527915688 387786895 /nfs/dbraw/zinc/78/68/95/387786895.db2.gz PBNOGQBBZFOQHU-OKILXGFUSA-N 1 2 238.334 3.327 20 0 BGADLO CC[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527915872 387786535 /nfs/dbraw/zinc/78/65/35/387786535.db2.gz HCFZWSYXNMVWLP-GFCCVEGCSA-N 1 2 226.323 3.471 20 0 BGADLO CC[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000527915873 387786782 /nfs/dbraw/zinc/78/67/82/387786782.db2.gz HCFZWSYXNMVWLP-LBPRGKRZSA-N 1 2 226.323 3.471 20 0 BGADLO CCC1(CC)CCN(c2[nH+]cccc2OC)C1 ZINC000527918896 387788195 /nfs/dbraw/zinc/78/81/95/387788195.db2.gz OUPKNEPYRDGPCF-UHFFFAOYSA-N 1 2 234.343 3.107 20 0 BGADLO c1ccc2c(c1)cc[nH+]c2N1C[C@@H]2CCC[C@H]2C1 ZINC000527919762 387790473 /nfs/dbraw/zinc/79/04/73/387790473.db2.gz KBCWVRBVKRLEDU-KBPBESRZSA-N 1 2 238.334 3.471 20 0 BGADLO c1ccc2c(c1)cc[nH+]c2N1C[C@@H]2CCC[C@@H]2C1 ZINC000527919763 387790437 /nfs/dbraw/zinc/79/04/37/387790437.db2.gz KBCWVRBVKRLEDU-OKILXGFUSA-N 1 2 238.334 3.471 20 0 BGADLO c1ccc2c(c1)cc[nH+]c2N1C[C@H]2CCC[C@@H]2C1 ZINC000527919766 387790374 /nfs/dbraw/zinc/79/03/74/387790374.db2.gz KBCWVRBVKRLEDU-ZIAGYGMSSA-N 1 2 238.334 3.471 20 0 BGADLO COC(C)(C)CN(C)c1[nH+]ccc2ccccc21 ZINC000527922316 387789844 /nfs/dbraw/zinc/78/98/44/387789844.db2.gz FQCZNPKMHAVAFY-UHFFFAOYSA-N 1 2 244.338 3.096 20 0 BGADLO COc1ccc[nH+]c1N[C@@H]1CCCC(F)(F)C1 ZINC000527936681 387796593 /nfs/dbraw/zinc/79/65/93/387796593.db2.gz XKKNSYZZWPDHFC-SECBINFHSA-N 1 2 242.269 3.080 20 0 BGADLO COc1ccc[nH+]c1N[C@H]1CCCC(F)(F)C1 ZINC000527936690 387796747 /nfs/dbraw/zinc/79/67/47/387796747.db2.gz XKKNSYZZWPDHFC-VIFPVBQESA-N 1 2 242.269 3.080 20 0 BGADLO CC1=CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527937756 387781761 /nfs/dbraw/zinc/78/17/61/387781761.db2.gz DRDZDZUSZIPFQS-UHFFFAOYSA-N 1 2 224.307 3.391 20 0 BGADLO c1ccc2c(c1)cc[nH+]c2N1CC[C@H](C2CC2)C1 ZINC000527945614 387780763 /nfs/dbraw/zinc/78/07/63/387780763.db2.gz TUSFCSVTLMDVOY-AWEZNQCLSA-N 1 2 238.334 3.471 20 0 BGADLO c1ccc2c(c1)cc[nH+]c2N1CC[C@@H](C2CC2)C1 ZINC000527945617 323724365 /nfs/dbraw/zinc/72/43/65/323724365.db2.gz TUSFCSVTLMDVOY-CQSZACIVSA-N 1 2 238.334 3.471 20 0 BGADLO COc1ccc[nH+]c1NCCc1sccc1C ZINC000527947883 387782663 /nfs/dbraw/zinc/78/26/63/387782663.db2.gz OLRYLEVTHBHJQX-UHFFFAOYSA-N 1 2 248.351 3.115 20 0 BGADLO COc1ccc[nH+]c1NCCCc1cccs1 ZINC000527951288 323726336 /nfs/dbraw/zinc/72/63/36/323726336.db2.gz QWBOIFCGCSYPGM-UHFFFAOYSA-N 1 2 248.351 3.196 20 0 BGADLO COc1ccc[nH+]c1N1CC[C@@H](C)C2(CCC2)C1 ZINC000527952795 387784364 /nfs/dbraw/zinc/78/43/64/387784364.db2.gz UTAMOGYYEHLLEN-GFCCVEGCSA-N 1 2 246.354 3.107 20 0 BGADLO COc1ccc[nH+]c1N1CC[C@H](C)C2(CCC2)C1 ZINC000527952798 387784134 /nfs/dbraw/zinc/78/41/34/387784134.db2.gz UTAMOGYYEHLLEN-LBPRGKRZSA-N 1 2 246.354 3.107 20 0 BGADLO COc1ccc[nH+]c1N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000527957412 387784045 /nfs/dbraw/zinc/78/40/45/387784045.db2.gz NUQTZCXJDPMTQZ-DOMZBBRYSA-N 1 2 246.354 3.107 20 0 BGADLO COc1ccc[nH+]c1N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000527957413 387784691 /nfs/dbraw/zinc/78/46/91/387784691.db2.gz NUQTZCXJDPMTQZ-IUODEOHRSA-N 1 2 246.354 3.107 20 0 BGADLO COc1ccc[nH+]c1N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000527957414 387784421 /nfs/dbraw/zinc/78/44/21/387784421.db2.gz NUQTZCXJDPMTQZ-SWLSCSKDSA-N 1 2 246.354 3.107 20 0 BGADLO COc1ccc[nH+]c1N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000527957416 387784972 /nfs/dbraw/zinc/78/49/72/387784972.db2.gz NUQTZCXJDPMTQZ-WFASDCNBSA-N 1 2 246.354 3.107 20 0 BGADLO C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C[C@H]1F ZINC000527958528 387786662 /nfs/dbraw/zinc/78/66/62/387786662.db2.gz WGPAOYBZDKVICK-BXUZGUMPSA-N 1 2 244.313 3.419 20 0 BGADLO C[C@H]1CCN(c2[nH+]ccc3ccccc32)C[C@@H]1F ZINC000527958532 387786026 /nfs/dbraw/zinc/78/60/26/387786026.db2.gz WGPAOYBZDKVICK-FZMZJTMJSA-N 1 2 244.313 3.419 20 0 BGADLO C[C@@H]1CCN(c2[nH+]ccc3ccccc32)C[C@@H]1F ZINC000527958536 387786958 /nfs/dbraw/zinc/78/69/58/387786958.db2.gz WGPAOYBZDKVICK-RISCZKNCSA-N 1 2 244.313 3.419 20 0 BGADLO C[C@H]1CCN(c2[nH+]ccc3ccccc32)C[C@H]1F ZINC000527958540 387786175 /nfs/dbraw/zinc/78/61/75/387786175.db2.gz WGPAOYBZDKVICK-SMDDNHRTSA-N 1 2 244.313 3.419 20 0 BGADLO CC[C@H](CC(F)(F)F)Nc1[nH+]cccc1OC ZINC000527961343 387809097 /nfs/dbraw/zinc/80/90/97/387809097.db2.gz AAEFRVSTLPPVPD-MRVPVSSYSA-N 1 2 248.248 3.233 20 0 BGADLO CC[C@@H](CC(F)(F)F)Nc1[nH+]cccc1OC ZINC000527961344 387809785 /nfs/dbraw/zinc/80/97/85/387809785.db2.gz AAEFRVSTLPPVPD-QMMMGPOBSA-N 1 2 248.248 3.233 20 0 BGADLO FC1(F)CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000527993183 387806285 /nfs/dbraw/zinc/80/62/85/387806285.db2.gz DCENLXRENRWRDC-UHFFFAOYSA-N 1 2 248.276 3.470 20 0 BGADLO F[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527995662 262899141 /nfs/dbraw/zinc/89/91/41/262899141.db2.gz BBOYWKUMPPRJIY-GFCCVEGCSA-N 1 2 230.286 3.173 20 0 BGADLO F[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527995664 387805270 /nfs/dbraw/zinc/80/52/70/387805270.db2.gz BBOYWKUMPPRJIY-LBPRGKRZSA-N 1 2 230.286 3.173 20 0 BGADLO CC1=CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000527996959 387806431 /nfs/dbraw/zinc/80/64/31/387806431.db2.gz RZSNVEVQNSGPOQ-UHFFFAOYSA-N 1 2 224.307 3.391 20 0 BGADLO COc1ccc[nH+]c1NCC(C)(C)C(F)(F)F ZINC000527999281 387808318 /nfs/dbraw/zinc/80/83/18/387808318.db2.gz GIVSQNUSRKUMOV-UHFFFAOYSA-N 1 2 248.248 3.091 20 0 BGADLO c1ccc2c(c1)cc[nH+]c2N1CCC2(CC2)C1 ZINC000528003128 323737311 /nfs/dbraw/zinc/73/73/11/323737311.db2.gz AVHPDBBSKPKKRC-UHFFFAOYSA-N 1 2 224.307 3.225 20 0 BGADLO FC(F)[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000528003867 387809829 /nfs/dbraw/zinc/80/98/29/387809829.db2.gz DHONLHFERQRBJT-LLVKDONJSA-N 1 2 248.276 3.326 20 0 BGADLO FC(F)[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000528003868 387809461 /nfs/dbraw/zinc/80/94/61/387809461.db2.gz DHONLHFERQRBJT-NSHDSACASA-N 1 2 248.276 3.326 20 0 BGADLO COc1ccc[nH+]c1N1CCC(C)(C2CC2)CC1 ZINC000528021269 387826093 /nfs/dbraw/zinc/82/60/93/387826093.db2.gz CGIBUJJWBYJGEJ-UHFFFAOYSA-N 1 2 246.354 3.107 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccccn1 ZINC000528035376 387818001 /nfs/dbraw/zinc/81/80/01/387818001.db2.gz GVGMJAHHIQQGNU-MNOVXSKESA-N 1 2 245.301 3.028 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccccn1 ZINC000528035377 323743813 /nfs/dbraw/zinc/74/38/13/323743813.db2.gz GVGMJAHHIQQGNU-QWRGUYRKSA-N 1 2 245.301 3.028 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccco1 ZINC000528035483 387818294 /nfs/dbraw/zinc/81/82/94/387818294.db2.gz HNJFMDPYUZEMLH-UWVGGRQHSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccco1 ZINC000528035484 387818192 /nfs/dbraw/zinc/81/81/92/387818192.db2.gz HNJFMDPYUZEMLH-ZJUUUORDSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1ncccc1F)c1ccoc1 ZINC000528036673 387818117 /nfs/dbraw/zinc/81/81/17/387818117.db2.gz XBIRCKVXSMIWPA-UWVGGRQHSA-N 1 2 234.274 3.226 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ncccc1F)c1ccoc1 ZINC000528036674 387817725 /nfs/dbraw/zinc/81/77/25/387817725.db2.gz XBIRCKVXSMIWPA-ZJUUUORDSA-N 1 2 234.274 3.226 20 0 BGADLO COc1ccc[nH+]c1N1CC[C@@H](C2CCCC2)C1 ZINC000528039070 323744571 /nfs/dbraw/zinc/74/45/71/323744571.db2.gz YOJBDUFWCNQBGR-CYBMUJFWSA-N 1 2 246.354 3.107 20 0 BGADLO COc1ccc[nH+]c1N1CC[C@H](C2CCCC2)C1 ZINC000528039075 323745230 /nfs/dbraw/zinc/74/52/30/323745230.db2.gz YOJBDUFWCNQBGR-ZDUSSCGKSA-N 1 2 246.354 3.107 20 0 BGADLO FC1(F)CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000528044611 387838180 /nfs/dbraw/zinc/83/81/80/387838180.db2.gz YMTCDXMCTTTWJJ-UHFFFAOYSA-N 1 2 248.276 3.470 20 0 BGADLO CC12CC(C1)CN2c1[nH+]ccc2ccccc21 ZINC000528059612 323754126 /nfs/dbraw/zinc/75/41/26/323754126.db2.gz VTYCAEBBOQXSDI-UHFFFAOYSA-N 1 2 224.307 3.224 20 0 BGADLO c1ccc2c(c1)cc[nH+]c2N1CC[C@@H]2C[C@@H]2C1 ZINC000528060181 387839258 /nfs/dbraw/zinc/83/92/58/387839258.db2.gz YCDURNNZCZCMDZ-CHWSQXEVSA-N 1 2 224.307 3.081 20 0 BGADLO c1ccc2c(c1)cc[nH+]c2N1CC[C@H]2C[C@H]2C1 ZINC000528060188 323755201 /nfs/dbraw/zinc/75/52/01/323755201.db2.gz YCDURNNZCZCMDZ-STQMWFEESA-N 1 2 224.307 3.081 20 0 BGADLO FC(F)(F)c1cc[nH+]c(NCC2CC=CC2)c1 ZINC000528112254 387847966 /nfs/dbraw/zinc/84/79/66/387847966.db2.gz COHQCARGPRFGEU-UHFFFAOYSA-N 1 2 242.244 3.479 20 0 BGADLO CCO[C@@]1(C)C[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000528158243 387856752 /nfs/dbraw/zinc/85/67/52/387856752.db2.gz NSGOAXWJKKCIKA-HIFRSBDPSA-N 1 2 242.322 3.214 20 0 BGADLO c1ccc(NCC[C@@H]2CC=CCC2)[nH+]c1 ZINC000528183685 387873371 /nfs/dbraw/zinc/87/33/71/387873371.db2.gz RATKOAOFWWGDET-GFCCVEGCSA-N 1 2 202.301 3.240 20 0 BGADLO c1ccc(NCC[C@H]2CC=CCC2)[nH+]c1 ZINC000528183687 387873542 /nfs/dbraw/zinc/87/35/42/387873542.db2.gz RATKOAOFWWGDET-LBPRGKRZSA-N 1 2 202.301 3.240 20 0 BGADLO C/C(Cl)=C\C[N@H+](C)Cc1ccccc1F ZINC000528337814 387894463 /nfs/dbraw/zinc/89/44/63/387894463.db2.gz KTCYTOZHESTXLG-JXMROGBWSA-N 1 2 227.710 3.400 20 0 BGADLO C/C(Cl)=C\C[N@@H+](C)Cc1ccccc1F ZINC000528337814 387894460 /nfs/dbraw/zinc/89/44/60/387894460.db2.gz KTCYTOZHESTXLG-JXMROGBWSA-N 1 2 227.710 3.400 20 0 BGADLO C/C(Cl)=C/C[N@H+](C)Cc1ccccc1F ZINC000528337823 387895604 /nfs/dbraw/zinc/89/56/04/387895604.db2.gz KTCYTOZHESTXLG-YFHOEESVSA-N 1 2 227.710 3.400 20 0 BGADLO C/C(Cl)=C/C[N@@H+](C)Cc1ccccc1F ZINC000528337823 387895600 /nfs/dbraw/zinc/89/56/00/387895600.db2.gz KTCYTOZHESTXLG-YFHOEESVSA-N 1 2 227.710 3.400 20 0 BGADLO C/C(Cl)=C\C[N@H+](C)Cc1cnc(C)s1 ZINC000528358667 387908077 /nfs/dbraw/zinc/90/80/77/387908077.db2.gz QPVRJVZAJZBQFO-XBXARRHUSA-N 1 2 230.764 3.026 20 0 BGADLO C/C(Cl)=C\C[N@@H+](C)Cc1cnc(C)s1 ZINC000528358667 387908073 /nfs/dbraw/zinc/90/80/73/387908073.db2.gz QPVRJVZAJZBQFO-XBXARRHUSA-N 1 2 230.764 3.026 20 0 BGADLO C/C(Cl)=C/C[N@H+](C)Cc1cnc(C)s1 ZINC000528358681 387909312 /nfs/dbraw/zinc/90/93/12/387909312.db2.gz QPVRJVZAJZBQFO-YWEYNIOJSA-N 1 2 230.764 3.026 20 0 BGADLO C/C(Cl)=C/C[N@@H+](C)Cc1cnc(C)s1 ZINC000528358681 387909309 /nfs/dbraw/zinc/90/93/09/387909309.db2.gz QPVRJVZAJZBQFO-YWEYNIOJSA-N 1 2 230.764 3.026 20 0 BGADLO CC1(C)CC(C[N@@H+](CC(F)F)C2CC2)C1 ZINC000528375805 384961317 /nfs/dbraw/zinc/96/13/17/384961317.db2.gz DAUXUYIBGRGUAJ-UHFFFAOYSA-N 1 2 217.303 3.152 20 0 BGADLO CC1(C)CC(C[N@H+](CC(F)F)C2CC2)C1 ZINC000528375805 384961304 /nfs/dbraw/zinc/96/13/04/384961304.db2.gz DAUXUYIBGRGUAJ-UHFFFAOYSA-N 1 2 217.303 3.152 20 0 BGADLO CCc1cnc(C[N@@H+](C)C/C=C(/C)Cl)s1 ZINC000528398548 388519823 /nfs/dbraw/zinc/51/98/23/388519823.db2.gz HOBOMWLHGGAFLV-UITAMQMPSA-N 1 2 244.791 3.280 20 0 BGADLO CCc1cnc(C[N@H+](C)C/C=C(/C)Cl)s1 ZINC000528398548 388519822 /nfs/dbraw/zinc/51/98/22/388519822.db2.gz HOBOMWLHGGAFLV-UITAMQMPSA-N 1 2 244.791 3.280 20 0 BGADLO CCc1cnc(C[N@@H+](C)C/C=C(\C)Cl)s1 ZINC000528398551 388519751 /nfs/dbraw/zinc/51/97/51/388519751.db2.gz HOBOMWLHGGAFLV-WEVVVXLNSA-N 1 2 244.791 3.280 20 0 BGADLO CCc1cnc(C[N@H+](C)C/C=C(\C)Cl)s1 ZINC000528398551 388519748 /nfs/dbraw/zinc/51/97/48/388519748.db2.gz HOBOMWLHGGAFLV-WEVVVXLNSA-N 1 2 244.791 3.280 20 0 BGADLO C/C(Cl)=C\C[N@H+](C)Cc1cc(Cl)cn1C ZINC000528401358 387620898 /nfs/dbraw/zinc/62/08/98/387620898.db2.gz AXKCQIQQCSDFTI-RUDMXATFSA-N 1 2 247.169 3.253 20 0 BGADLO C/C(Cl)=C\C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000528401358 387620894 /nfs/dbraw/zinc/62/08/94/387620894.db2.gz AXKCQIQQCSDFTI-RUDMXATFSA-N 1 2 247.169 3.253 20 0 BGADLO C/C(Cl)=C/C[N@H+](C)Cc1cc(Cl)cn1C ZINC000528401360 387619702 /nfs/dbraw/zinc/61/97/02/387619702.db2.gz AXKCQIQQCSDFTI-WTKPLQERSA-N 1 2 247.169 3.253 20 0 BGADLO C/C(Cl)=C/C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000528401360 387619698 /nfs/dbraw/zinc/61/96/98/387619698.db2.gz AXKCQIQQCSDFTI-WTKPLQERSA-N 1 2 247.169 3.253 20 0 BGADLO C/C(Cl)=C\C[N@H+]1CCc2cccc(F)c2C1 ZINC000528430279 388523913 /nfs/dbraw/zinc/52/39/13/388523913.db2.gz MJZKSCHVUNUPBJ-BJMVGYQFSA-N 1 2 239.721 3.326 20 0 BGADLO C/C(Cl)=C\C[N@@H+]1CCc2cccc(F)c2C1 ZINC000528430279 388523911 /nfs/dbraw/zinc/52/39/11/388523911.db2.gz MJZKSCHVUNUPBJ-BJMVGYQFSA-N 1 2 239.721 3.326 20 0 BGADLO C/C(Cl)=C/C[N@H+]1CCc2cccc(F)c2C1 ZINC000528430282 388523667 /nfs/dbraw/zinc/52/36/67/388523667.db2.gz MJZKSCHVUNUPBJ-YHYXMXQVSA-N 1 2 239.721 3.326 20 0 BGADLO C/C(Cl)=C/C[N@@H+]1CCc2cccc(F)c2C1 ZINC000528430282 388523666 /nfs/dbraw/zinc/52/36/66/388523666.db2.gz MJZKSCHVUNUPBJ-YHYXMXQVSA-N 1 2 239.721 3.326 20 0 BGADLO C/C(Cl)=C/C[N@@H+](Cc1ccccn1)C1CC1 ZINC000528430517 388524437 /nfs/dbraw/zinc/52/44/37/388524437.db2.gz JZCGHNSIAJGYII-XFFZJAGNSA-N 1 2 236.746 3.189 20 0 BGADLO C/C(Cl)=C/C[N@H+](Cc1ccccn1)C1CC1 ZINC000528430517 388524436 /nfs/dbraw/zinc/52/44/36/388524436.db2.gz JZCGHNSIAJGYII-XFFZJAGNSA-N 1 2 236.746 3.189 20 0 BGADLO C/C(Cl)=C\C[N@@H+](Cc1ccccn1)C1CC1 ZINC000528430521 388525534 /nfs/dbraw/zinc/52/55/34/388525534.db2.gz JZCGHNSIAJGYII-YRNVUSSQSA-N 1 2 236.746 3.189 20 0 BGADLO C/C(Cl)=C\C[N@H+](Cc1ccccn1)C1CC1 ZINC000528430521 388525532 /nfs/dbraw/zinc/52/55/32/388525532.db2.gz JZCGHNSIAJGYII-YRNVUSSQSA-N 1 2 236.746 3.189 20 0 BGADLO C/C(Cl)=C\C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000528507650 388537297 /nfs/dbraw/zinc/53/72/97/388537297.db2.gz OGEGWSXIYGHHAN-GCZGVDRJSA-N 1 2 239.750 3.079 20 0 BGADLO C/C(Cl)=C\C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000528507650 388537294 /nfs/dbraw/zinc/53/72/94/388537294.db2.gz OGEGWSXIYGHHAN-GCZGVDRJSA-N 1 2 239.750 3.079 20 0 BGADLO C/C(Cl)=C/C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000528507652 388537733 /nfs/dbraw/zinc/53/77/33/388537733.db2.gz OGEGWSXIYGHHAN-GYGFLDJKSA-N 1 2 239.750 3.079 20 0 BGADLO C/C(Cl)=C/C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000528507652 388537731 /nfs/dbraw/zinc/53/77/31/388537731.db2.gz OGEGWSXIYGHHAN-GYGFLDJKSA-N 1 2 239.750 3.079 20 0 BGADLO C/C(Cl)=C\C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000528507655 388536198 /nfs/dbraw/zinc/53/61/98/388536198.db2.gz OGEGWSXIYGHHAN-JXPAYYINSA-N 1 2 239.750 3.079 20 0 BGADLO C/C(Cl)=C\C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000528507655 388536196 /nfs/dbraw/zinc/53/61/96/388536196.db2.gz OGEGWSXIYGHHAN-JXPAYYINSA-N 1 2 239.750 3.079 20 0 BGADLO C/C(Cl)=C/C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000528507658 388537772 /nfs/dbraw/zinc/53/77/72/388537772.db2.gz OGEGWSXIYGHHAN-XTOZHPGHSA-N 1 2 239.750 3.079 20 0 BGADLO C/C(Cl)=C/C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000528507658 388537771 /nfs/dbraw/zinc/53/77/71/388537771.db2.gz OGEGWSXIYGHHAN-XTOZHPGHSA-N 1 2 239.750 3.079 20 0 BGADLO C/C(Cl)=C/C[N@H+]1Cc2cccc(F)c2C1 ZINC000528522731 388542594 /nfs/dbraw/zinc/54/25/94/388542594.db2.gz UWQRLYLHZJMSAN-UITAMQMPSA-N 1 2 225.694 3.284 20 0 BGADLO C/C(Cl)=C/C[N@@H+]1Cc2cccc(F)c2C1 ZINC000528522731 388542593 /nfs/dbraw/zinc/54/25/93/388542593.db2.gz UWQRLYLHZJMSAN-UITAMQMPSA-N 1 2 225.694 3.284 20 0 BGADLO C/C(Cl)=C\C[N@H+]1Cc2cccc(F)c2C1 ZINC000528522734 388542501 /nfs/dbraw/zinc/54/25/01/388542501.db2.gz UWQRLYLHZJMSAN-WEVVVXLNSA-N 1 2 225.694 3.284 20 0 BGADLO C/C(Cl)=C\C[N@@H+]1Cc2cccc(F)c2C1 ZINC000528522734 388542496 /nfs/dbraw/zinc/54/24/96/388542496.db2.gz UWQRLYLHZJMSAN-WEVVVXLNSA-N 1 2 225.694 3.284 20 0 BGADLO Cc1nc(C[N@@H+]2CCC(F)(F)C[C@H]2C)cs1 ZINC000528764070 388569050 /nfs/dbraw/zinc/56/90/50/388569050.db2.gz CPMMENUCBQURKH-MRVPVSSYSA-N 1 2 246.326 3.071 20 0 BGADLO Cc1nc(C[N@H+]2CCC(F)(F)C[C@H]2C)cs1 ZINC000528764070 388569047 /nfs/dbraw/zinc/56/90/47/388569047.db2.gz CPMMENUCBQURKH-MRVPVSSYSA-N 1 2 246.326 3.071 20 0 BGADLO Cc1nc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)cs1 ZINC000528764073 388569696 /nfs/dbraw/zinc/56/96/96/388569696.db2.gz CPMMENUCBQURKH-QMMMGPOBSA-N 1 2 246.326 3.071 20 0 BGADLO Cc1nc(C[N@H+]2CCC(F)(F)C[C@@H]2C)cs1 ZINC000528764073 388569692 /nfs/dbraw/zinc/56/96/92/388569692.db2.gz CPMMENUCBQURKH-QMMMGPOBSA-N 1 2 246.326 3.071 20 0 BGADLO Cc1csc(C[N@@H+]2CCC(F)(F)C[C@H]2C)n1 ZINC000528769032 387640172 /nfs/dbraw/zinc/64/01/72/387640172.db2.gz PRBLEZVLSPHTMF-SECBINFHSA-N 1 2 246.326 3.071 20 0 BGADLO Cc1csc(C[N@H+]2CCC(F)(F)C[C@H]2C)n1 ZINC000528769032 387640170 /nfs/dbraw/zinc/64/01/70/387640170.db2.gz PRBLEZVLSPHTMF-SECBINFHSA-N 1 2 246.326 3.071 20 0 BGADLO Cc1csc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)n1 ZINC000528769035 387638972 /nfs/dbraw/zinc/63/89/72/387638972.db2.gz PRBLEZVLSPHTMF-VIFPVBQESA-N 1 2 246.326 3.071 20 0 BGADLO Cc1csc(C[N@H+]2CCC(F)(F)C[C@@H]2C)n1 ZINC000528769035 387638970 /nfs/dbraw/zinc/63/89/70/387638970.db2.gz PRBLEZVLSPHTMF-VIFPVBQESA-N 1 2 246.326 3.071 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CCCC23CC3)c(C)[nH+]1 ZINC000528816308 388575745 /nfs/dbraw/zinc/57/57/45/388575745.db2.gz UQDFPWPLKGYNIC-GFCCVEGCSA-N 1 2 244.338 3.217 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CCCC23CC3)c(C)[nH+]1 ZINC000528816319 388575608 /nfs/dbraw/zinc/57/56/08/388575608.db2.gz UQDFPWPLKGYNIC-LBPRGKRZSA-N 1 2 244.338 3.217 20 0 BGADLO CC(C)[N@@H+](C)Cc1c(F)ccc(F)c1Cl ZINC000529518155 324322180 /nfs/dbraw/zinc/32/21/80/324322180.db2.gz SAZLAJJJEDPDGD-UHFFFAOYSA-N 1 2 233.689 3.458 20 0 BGADLO CC(C)[N@H+](C)Cc1c(F)ccc(F)c1Cl ZINC000529518155 324322178 /nfs/dbraw/zinc/32/21/78/324322178.db2.gz SAZLAJJJEDPDGD-UHFFFAOYSA-N 1 2 233.689 3.458 20 0 BGADLO CC[N@@H+](C)Cc1c(F)ccc(F)c1Cl ZINC000529522658 324323145 /nfs/dbraw/zinc/32/31/45/324323145.db2.gz XNOHKWZCOJEURQ-UHFFFAOYSA-N 1 2 219.662 3.070 20 0 BGADLO CC[N@H+](C)Cc1c(F)ccc(F)c1Cl ZINC000529522658 324323143 /nfs/dbraw/zinc/32/31/43/324323143.db2.gz XNOHKWZCOJEURQ-UHFFFAOYSA-N 1 2 219.662 3.070 20 0 BGADLO C[N@@H+](Cc1c(F)ccc(F)c1Cl)C1CC1 ZINC000529522886 324323537 /nfs/dbraw/zinc/32/35/37/324323537.db2.gz JCTCMZVXSZYPLO-UHFFFAOYSA-N 1 2 231.673 3.212 20 0 BGADLO C[N@H+](Cc1c(F)ccc(F)c1Cl)C1CC1 ZINC000529522886 324323529 /nfs/dbraw/zinc/32/35/29/324323529.db2.gz JCTCMZVXSZYPLO-UHFFFAOYSA-N 1 2 231.673 3.212 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)C2CC(F)(F)C2)c1 ZINC000529538980 324331193 /nfs/dbraw/zinc/33/11/93/324331193.db2.gz AXPFKYHVOUAGCS-SECBINFHSA-N 1 2 226.270 3.236 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)C2CC(F)(F)C2)c1 ZINC000529538981 324331129 /nfs/dbraw/zinc/33/11/29/324331129.db2.gz AXPFKYHVOUAGCS-VIFPVBQESA-N 1 2 226.270 3.236 20 0 BGADLO Cc1ccc(N[C@H](C)C2CC(F)(F)C2)c[nH+]1 ZINC000529539002 324330998 /nfs/dbraw/zinc/33/09/98/324330998.db2.gz BDWXLYUNCMVKPJ-SECBINFHSA-N 1 2 226.270 3.236 20 0 BGADLO Cc1ccc(N[C@@H](C)C2CC(F)(F)C2)c[nH+]1 ZINC000529539003 324331198 /nfs/dbraw/zinc/33/11/98/324331198.db2.gz BDWXLYUNCMVKPJ-VIFPVBQESA-N 1 2 226.270 3.236 20 0 BGADLO CC[N@H+](Cc1ccc2cc[nH]c2c1)CC(F)F ZINC000529540683 324331950 /nfs/dbraw/zinc/33/19/50/324331950.db2.gz GRFJMCJDQZAYBC-UHFFFAOYSA-N 1 2 238.281 3.255 20 0 BGADLO CC[N@@H+](Cc1ccc2cc[nH]c2c1)CC(F)F ZINC000529540683 324331947 /nfs/dbraw/zinc/33/19/47/324331947.db2.gz GRFJMCJDQZAYBC-UHFFFAOYSA-N 1 2 238.281 3.255 20 0 BGADLO Fc1ccc(F)c(C[N@@H+]2CC=CCC2)c1Cl ZINC000529542605 324332469 /nfs/dbraw/zinc/33/24/69/324332469.db2.gz QLGCHKVHFDVDJP-UHFFFAOYSA-N 1 2 243.684 3.380 20 0 BGADLO Fc1ccc(F)c(C[N@H+]2CC=CCC2)c1Cl ZINC000529542605 324332465 /nfs/dbraw/zinc/33/24/65/324332465.db2.gz QLGCHKVHFDVDJP-UHFFFAOYSA-N 1 2 243.684 3.380 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)C1CC(F)(F)C1 ZINC000529546670 324336069 /nfs/dbraw/zinc/33/60/69/324336069.db2.gz UQDQZCYMSZYWPQ-MRVPVSSYSA-N 1 2 226.270 3.236 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)C1CC(F)(F)C1 ZINC000529546671 324335965 /nfs/dbraw/zinc/33/59/65/324335965.db2.gz UQDQZCYMSZYWPQ-QMMMGPOBSA-N 1 2 226.270 3.236 20 0 BGADLO CC1C[NH+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000529557243 324341699 /nfs/dbraw/zinc/34/16/99/324341699.db2.gz LTIIIXGZKYNWFB-UHFFFAOYSA-N 1 2 231.673 3.070 20 0 BGADLO CC1C[NH+](Cc2ccsc2C(F)(F)F)C1 ZINC000529558740 324341740 /nfs/dbraw/zinc/34/17/40/324341740.db2.gz SOXYRILSCBATQY-UHFFFAOYSA-N 1 2 235.274 3.219 20 0 BGADLO Fc1cc2c(cc1Cl)[C@@H]([NH2+]CC(F)F)CC2 ZINC000529567979 324345770 /nfs/dbraw/zinc/34/57/70/324345770.db2.gz YNFRFTRJSNECFV-JTQLQIEISA-N 1 2 249.663 3.321 20 0 BGADLO Fc1cc2c(cc1Cl)[C@H]([NH2+]CC(F)F)CC2 ZINC000529567980 324345797 /nfs/dbraw/zinc/34/57/97/324345797.db2.gz YNFRFTRJSNECFV-SNVBAGLBSA-N 1 2 249.663 3.321 20 0 BGADLO Fc1ccc(F)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1Cl ZINC000529638970 324368605 /nfs/dbraw/zinc/36/86/05/324368605.db2.gz LRKAERNKDMRARQ-OCAPTIKFSA-N 1 2 243.684 3.070 20 0 BGADLO Fc1ccc(F)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1Cl ZINC000529638970 324368601 /nfs/dbraw/zinc/36/86/01/324368601.db2.gz LRKAERNKDMRARQ-OCAPTIKFSA-N 1 2 243.684 3.070 20 0 BGADLO CCC(C)(C)OC1C[NH+](Cc2cccs2)C1 ZINC000529639334 324368665 /nfs/dbraw/zinc/36/86/65/324368665.db2.gz BGPJAAKLYVFFJH-UHFFFAOYSA-N 1 2 239.384 3.138 20 0 BGADLO CCC(C)(C)OC1C[NH+](Cc2ccsc2)C1 ZINC000529642431 324369883 /nfs/dbraw/zinc/36/98/83/324369883.db2.gz RRDSHLQOPNUNGI-UHFFFAOYSA-N 1 2 239.384 3.138 20 0 BGADLO CCCOCn1c[nH+]c2cc(C)c(C)cc21 ZINC000530108006 388609454 /nfs/dbraw/zinc/60/94/54/388609454.db2.gz MERBSIDYNPCMQE-UHFFFAOYSA-N 1 2 218.300 3.037 20 0 BGADLO Cc1[nH+]cc(-c2ccc(OC3CC3)cc2)cc1N ZINC000530248074 388639640 /nfs/dbraw/zinc/63/96/40/388639640.db2.gz HNGMQULLVBEGRZ-UHFFFAOYSA-N 1 2 240.306 3.180 20 0 BGADLO CCc1cnc(COc2ccc(C)[nH+]c2CC)o1 ZINC000530383823 324590866 /nfs/dbraw/zinc/59/08/66/324590866.db2.gz PKJJSUAWIDPNGR-UHFFFAOYSA-N 1 2 246.310 3.082 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2ncccc2F)c(C)o1 ZINC000530476465 384109573 /nfs/dbraw/zinc/10/95/73/384109573.db2.gz JFOVKUJXYRIOOA-JTQLQIEISA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2ncccc2F)c(C)o1 ZINC000530476466 322814717 /nfs/dbraw/zinc/81/47/17/322814717.db2.gz JFOVKUJXYRIOOA-SNVBAGLBSA-N 1 2 248.301 3.281 20 0 BGADLO CC[N@@H+](C[C@@H](C)COC)c1ccccc1C ZINC000530496004 384157686 /nfs/dbraw/zinc/15/76/86/384157686.db2.gz SXSTXDASAGFHMQ-GFCCVEGCSA-N 1 2 221.344 3.104 20 0 BGADLO CC[N@H+](C[C@@H](C)COC)c1ccccc1C ZINC000530496004 384157683 /nfs/dbraw/zinc/15/76/83/384157683.db2.gz SXSTXDASAGFHMQ-GFCCVEGCSA-N 1 2 221.344 3.104 20 0 BGADLO CC[N@@H+](C[C@H](C)COC)c1ccccc1C ZINC000530496005 384157764 /nfs/dbraw/zinc/15/77/64/384157764.db2.gz SXSTXDASAGFHMQ-LBPRGKRZSA-N 1 2 221.344 3.104 20 0 BGADLO CC[N@H+](C[C@H](C)COC)c1ccccc1C ZINC000530496005 384157760 /nfs/dbraw/zinc/15/77/60/384157760.db2.gz SXSTXDASAGFHMQ-LBPRGKRZSA-N 1 2 221.344 3.104 20 0 BGADLO CSCCCOc1ccccc1-n1cc[nH+]c1 ZINC000530956208 322903423 /nfs/dbraw/zinc/90/34/23/322903423.db2.gz RMLOTKDCPIYWLW-UHFFFAOYSA-N 1 2 248.351 3.004 20 0 BGADLO CC(C)=CC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000530992536 384300343 /nfs/dbraw/zinc/30/03/43/384300343.db2.gz CGKGEQFHKHRSMT-UHFFFAOYSA-N 1 2 237.293 3.289 20 0 BGADLO CC(C)=CC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000530992536 384300339 /nfs/dbraw/zinc/30/03/39/384300339.db2.gz CGKGEQFHKHRSMT-UHFFFAOYSA-N 1 2 237.293 3.289 20 0 BGADLO CC(C)(C)CC[N@@H+](CCCO)c1ccccc1 ZINC000531016546 384662302 /nfs/dbraw/zinc/66/23/02/384662302.db2.gz VKUUCKOOZPBJJW-UHFFFAOYSA-N 1 2 235.371 3.312 20 0 BGADLO CC(C)(C)CC[N@H+](CCCO)c1ccccc1 ZINC000531016546 384662299 /nfs/dbraw/zinc/66/22/99/384662299.db2.gz VKUUCKOOZPBJJW-UHFFFAOYSA-N 1 2 235.371 3.312 20 0 BGADLO CCc1cnc(C[NH2+]C(C)(C)c2ccccc2)o1 ZINC000531346341 323087839 /nfs/dbraw/zinc/08/78/39/323087839.db2.gz QCQQRSOPUIUHFJ-UHFFFAOYSA-N 1 2 244.338 3.262 20 0 BGADLO CCc1cnc(C[N@H+]2CC[C@H]2c2ccccc2)o1 ZINC000531378547 323088331 /nfs/dbraw/zinc/08/83/31/323088331.db2.gz RXMBXNUDZTXMAE-AWEZNQCLSA-N 1 2 242.322 3.184 20 0 BGADLO CCc1cnc(C[N@@H+]2CC[C@H]2c2ccccc2)o1 ZINC000531378547 323088330 /nfs/dbraw/zinc/08/83/30/323088330.db2.gz RXMBXNUDZTXMAE-AWEZNQCLSA-N 1 2 242.322 3.184 20 0 BGADLO CCc1cnc(C[N@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000531378548 323088350 /nfs/dbraw/zinc/08/83/50/323088350.db2.gz RXMBXNUDZTXMAE-CQSZACIVSA-N 1 2 242.322 3.184 20 0 BGADLO CCc1cnc(C[N@@H+]2CC[C@@H]2c2ccccc2)o1 ZINC000531378548 323088349 /nfs/dbraw/zinc/08/83/49/323088349.db2.gz RXMBXNUDZTXMAE-CQSZACIVSA-N 1 2 242.322 3.184 20 0 BGADLO CC[C@@H](C)COc1ccccc1-n1cc[nH+]c1 ZINC000531692042 323111608 /nfs/dbraw/zinc/11/16/08/323111608.db2.gz BJJXCQGVDGZVLK-GFCCVEGCSA-N 1 2 230.311 3.297 20 0 BGADLO CC[C@H](C)COc1ccccc1-n1cc[nH+]c1 ZINC000531692043 323111689 /nfs/dbraw/zinc/11/16/89/323111689.db2.gz BJJXCQGVDGZVLK-LBPRGKRZSA-N 1 2 230.311 3.297 20 0 BGADLO CCc1cc(C[NH2+][C@@H](C)c2ccccc2F)on1 ZINC000531721233 323112310 /nfs/dbraw/zinc/11/23/10/323112310.db2.gz WOVWZPFJSGHOMZ-JTQLQIEISA-N 1 2 248.301 3.227 20 0 BGADLO CCc1cc(C[NH2+][C@H](C)c2ccccc2F)on1 ZINC000531721234 323112177 /nfs/dbraw/zinc/11/21/77/323112177.db2.gz WOVWZPFJSGHOMZ-SNVBAGLBSA-N 1 2 248.301 3.227 20 0 BGADLO CCc1cc(C[NH2+][C@@H](C)c2ccc(CC)o2)on1 ZINC000531976967 323161849 /nfs/dbraw/zinc/16/18/49/323161849.db2.gz AMAMQAJGEPORMW-JTQLQIEISA-N 1 2 248.326 3.243 20 0 BGADLO CCc1cc(C[NH2+][C@H](C)c2ccc(CC)o2)on1 ZINC000531976968 323161924 /nfs/dbraw/zinc/16/19/24/323161924.db2.gz AMAMQAJGEPORMW-SNVBAGLBSA-N 1 2 248.326 3.243 20 0 BGADLO Cc1nc(N2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc[nH+]1 ZINC000532043088 323169307 /nfs/dbraw/zinc/16/93/07/323169307.db2.gz DLDUTSPVANIOKL-FPMFFAJLSA-N 1 2 245.370 3.190 20 0 BGADLO Cc1nc(N2CC[C@H](C)[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000532043089 323169305 /nfs/dbraw/zinc/16/93/05/323169305.db2.gz DLDUTSPVANIOKL-IACUBPJLSA-N 1 2 245.370 3.190 20 0 BGADLO Cc1nc(N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000532043090 323169256 /nfs/dbraw/zinc/16/92/56/323169256.db2.gz DLDUTSPVANIOKL-UBHSHLNASA-N 1 2 245.370 3.190 20 0 BGADLO C[C@@H]1C[C@H](C)N(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000532054309 323170247 /nfs/dbraw/zinc/17/02/47/323170247.db2.gz FJNVQNSMXFIESO-BDAKNGLRSA-N 1 2 244.260 3.335 20 0 BGADLO C[C@@H]1C[C@H](C)CN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000532054310 323170186 /nfs/dbraw/zinc/17/01/86/323170186.db2.gz FJNVQNSMXFIESO-DTWKUNHWSA-N 1 2 244.260 3.335 20 0 BGADLO C[C@H]1C[C@H](C)N(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000532054311 323170192 /nfs/dbraw/zinc/17/01/92/323170192.db2.gz FJNVQNSMXFIESO-IUCAKERBSA-N 1 2 244.260 3.335 20 0 BGADLO C[C@@H]1C[C@@H](C)N(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000532054312 323170233 /nfs/dbraw/zinc/17/02/33/323170233.db2.gz FJNVQNSMXFIESO-RKDXNWHRSA-N 1 2 244.260 3.335 20 0 BGADLO Cc1cc(N2C3CCC2CC3)nc(C(C)C)[nH+]1 ZINC000532115597 323206375 /nfs/dbraw/zinc/20/63/75/323206375.db2.gz UHAKCDWPFZBQBS-UHFFFAOYSA-N 1 2 231.343 3.040 20 0 BGADLO COc1ccc(CNc2cccc[nH+]2)c(C)c1 ZINC000532217053 323210204 /nfs/dbraw/zinc/21/02/04/323210204.db2.gz FRRXUXJJEQLBJH-UHFFFAOYSA-N 1 2 228.295 3.011 20 0 BGADLO CC(C)=CC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000532268235 323212697 /nfs/dbraw/zinc/21/26/97/323212697.db2.gz USRYZOYPAWFXPH-UHFFFAOYSA-N 1 2 237.293 3.289 20 0 BGADLO CC(C)=CC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000532268235 323212696 /nfs/dbraw/zinc/21/26/96/323212696.db2.gz USRYZOYPAWFXPH-UHFFFAOYSA-N 1 2 237.293 3.289 20 0 BGADLO Cc1cc(N2CC[C@H](C)[C@@H]3CCCC[C@H]32)nc[nH+]1 ZINC000532296647 323214130 /nfs/dbraw/zinc/21/41/30/323214130.db2.gz QPSYEDYDHRJLSX-FPMFFAJLSA-N 1 2 245.370 3.190 20 0 BGADLO Cc1cc(N2CC[C@H](C)[C@H]3CCCC[C@H]32)nc[nH+]1 ZINC000532296651 323214101 /nfs/dbraw/zinc/21/41/01/323214101.db2.gz QPSYEDYDHRJLSX-IACUBPJLSA-N 1 2 245.370 3.190 20 0 BGADLO Cc1cc(N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000532296652 323214138 /nfs/dbraw/zinc/21/41/38/323214138.db2.gz QPSYEDYDHRJLSX-UBHSHLNASA-N 1 2 245.370 3.190 20 0 BGADLO Cc1cc(N2CC[C@H](C)[C@H]3CCCC[C@@H]32)nc[nH+]1 ZINC000532296653 323213960 /nfs/dbraw/zinc/21/39/60/323213960.db2.gz QPSYEDYDHRJLSX-YUTCNCBUSA-N 1 2 245.370 3.190 20 0 BGADLO c1cn(-c2ccccc2OCC2CCCC2)c[nH+]1 ZINC000532500161 323270839 /nfs/dbraw/zinc/27/08/39/323270839.db2.gz XBNRQCZSEULABE-UHFFFAOYSA-N 1 2 242.322 3.441 20 0 BGADLO c1cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)[nH]n1 ZINC000532514478 323272678 /nfs/dbraw/zinc/27/26/78/323272678.db2.gz NNLBPGSIEVQGLT-HNNXBMFYSA-N 1 2 241.338 3.041 20 0 BGADLO c1cc(C[NH2+][C@H](CC2CC2)c2ccccc2)[nH]n1 ZINC000532514479 323272523 /nfs/dbraw/zinc/27/25/23/323272523.db2.gz NNLBPGSIEVQGLT-OAHLLOKOSA-N 1 2 241.338 3.041 20 0 BGADLO CC[N@@H+](C[C@@H]1CCOC1)c1cc(C)cc(C)c1 ZINC000532655385 323286838 /nfs/dbraw/zinc/28/68/38/323286838.db2.gz NGNVDGGMGQZSGK-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@H+](C[C@@H]1CCOC1)c1cc(C)cc(C)c1 ZINC000532655385 323286835 /nfs/dbraw/zinc/28/68/35/323286835.db2.gz NGNVDGGMGQZSGK-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@@H+](C[C@H]1CCOC1)c1cc(C)cc(C)c1 ZINC000532655386 323286573 /nfs/dbraw/zinc/28/65/73/323286573.db2.gz NGNVDGGMGQZSGK-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@H+](C[C@H]1CCOC1)c1cc(C)cc(C)c1 ZINC000532655386 323286571 /nfs/dbraw/zinc/28/65/71/323286571.db2.gz NGNVDGGMGQZSGK-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1cccc([N@H+](C[C@@H]2CCOC2)C(C)C)c1 ZINC000532682448 323287888 /nfs/dbraw/zinc/28/78/88/323287888.db2.gz NEHZLEVRTNJMIV-AWEZNQCLSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cccc([N@@H+](C[C@@H]2CCOC2)C(C)C)c1 ZINC000532682448 323287885 /nfs/dbraw/zinc/28/78/85/323287885.db2.gz NEHZLEVRTNJMIV-AWEZNQCLSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cccc([N@H+](C[C@H]2CCOC2)C(C)C)c1 ZINC000532682449 323288356 /nfs/dbraw/zinc/28/83/56/323288356.db2.gz NEHZLEVRTNJMIV-CQSZACIVSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cccc([N@@H+](C[C@H]2CCOC2)C(C)C)c1 ZINC000532682449 323288352 /nfs/dbraw/zinc/28/83/52/323288352.db2.gz NEHZLEVRTNJMIV-CQSZACIVSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@H+](C[C@@H]1CCOC1)C(C)C ZINC000532701495 323289832 /nfs/dbraw/zinc/28/98/32/323289832.db2.gz BPTTVLMVDQZTND-AWEZNQCLSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@@H+](C[C@@H]1CCOC1)C(C)C ZINC000532701495 323289829 /nfs/dbraw/zinc/28/98/29/323289829.db2.gz BPTTVLMVDQZTND-AWEZNQCLSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@H+](C[C@H]1CCOC1)C(C)C ZINC000532701496 323289757 /nfs/dbraw/zinc/28/97/57/323289757.db2.gz BPTTVLMVDQZTND-CQSZACIVSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@@H+](C[C@H]1CCOC1)C(C)C ZINC000532701496 323289755 /nfs/dbraw/zinc/28/97/55/323289755.db2.gz BPTTVLMVDQZTND-CQSZACIVSA-N 1 2 233.355 3.246 20 0 BGADLO c1cn(-c2ccccc2OCC2CCC2)c[nH+]1 ZINC000532798630 323299508 /nfs/dbraw/zinc/29/95/08/323299508.db2.gz YNCWRXBCJJDXMQ-UHFFFAOYSA-N 1 2 228.295 3.051 20 0 BGADLO CC(C)c1nc(C[N@@H+](C)[C@@H](C)C(C)(C)C)no1 ZINC000532929444 323397988 /nfs/dbraw/zinc/39/79/88/323397988.db2.gz QGBLOQWWWFQCCE-JTQLQIEISA-N 1 2 239.363 3.059 20 0 BGADLO CC(C)c1nc(C[N@H+](C)[C@@H](C)C(C)(C)C)no1 ZINC000532929444 323397982 /nfs/dbraw/zinc/39/79/82/323397982.db2.gz QGBLOQWWWFQCCE-JTQLQIEISA-N 1 2 239.363 3.059 20 0 BGADLO CC(C)c1nc(C[N@@H+](C)[C@H](C)C(C)(C)C)no1 ZINC000532929445 323398205 /nfs/dbraw/zinc/39/82/05/323398205.db2.gz QGBLOQWWWFQCCE-SNVBAGLBSA-N 1 2 239.363 3.059 20 0 BGADLO CC(C)c1nc(C[N@H+](C)[C@H](C)C(C)(C)C)no1 ZINC000532929445 323398204 /nfs/dbraw/zinc/39/82/04/323398204.db2.gz QGBLOQWWWFQCCE-SNVBAGLBSA-N 1 2 239.363 3.059 20 0 BGADLO CC[N@@H+](C[C@@H]1CCCOC1)c1cccc(C)c1 ZINC000533027200 387920721 /nfs/dbraw/zinc/92/07/21/387920721.db2.gz ZQXFPZHLHFTGJC-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](C[C@@H]1CCCOC1)c1cccc(C)c1 ZINC000533027200 387920716 /nfs/dbraw/zinc/92/07/16/387920716.db2.gz ZQXFPZHLHFTGJC-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@@H+](C[C@H]1CCCOC1)c1cccc(C)c1 ZINC000533027207 387921100 /nfs/dbraw/zinc/92/11/00/387921100.db2.gz ZQXFPZHLHFTGJC-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](C[C@H]1CCCOC1)c1cccc(C)c1 ZINC000533027207 387921096 /nfs/dbraw/zinc/92/10/96/387921096.db2.gz ZQXFPZHLHFTGJC-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccno1 ZINC000533240753 388033301 /nfs/dbraw/zinc/03/33/01/388033301.db2.gz VAVRDDFKJDOXAF-JTQLQIEISA-N 1 2 234.274 3.007 20 0 BGADLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccno1 ZINC000533240753 388033296 /nfs/dbraw/zinc/03/32/96/388033296.db2.gz VAVRDDFKJDOXAF-JTQLQIEISA-N 1 2 234.274 3.007 20 0 BGADLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccno1 ZINC000533240754 388033759 /nfs/dbraw/zinc/03/37/59/388033759.db2.gz VAVRDDFKJDOXAF-SNVBAGLBSA-N 1 2 234.274 3.007 20 0 BGADLO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccno1 ZINC000533240754 388033754 /nfs/dbraw/zinc/03/37/54/388033754.db2.gz VAVRDDFKJDOXAF-SNVBAGLBSA-N 1 2 234.274 3.007 20 0 BGADLO CC[N@@H+](C[C@@H]1CCOC1)c1cccc(C)c1C ZINC000533485345 384365865 /nfs/dbraw/zinc/36/58/65/384365865.db2.gz RIQGNZVDMKDVFP-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@H+](C[C@@H]1CCOC1)c1cccc(C)c1C ZINC000533485345 384365862 /nfs/dbraw/zinc/36/58/62/384365862.db2.gz RIQGNZVDMKDVFP-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@@H+](C[C@H]1CCOC1)c1cccc(C)c1C ZINC000533485346 384366299 /nfs/dbraw/zinc/36/62/99/384366299.db2.gz RIQGNZVDMKDVFP-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@H+](C[C@H]1CCOC1)c1cccc(C)c1C ZINC000533485346 384366293 /nfs/dbraw/zinc/36/62/93/384366293.db2.gz RIQGNZVDMKDVFP-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@@H+](CC1CCOCC1)c1cccc(C)c1 ZINC000533486316 384365558 /nfs/dbraw/zinc/36/55/58/384365558.db2.gz OGBKBBAKIJRKCB-UHFFFAOYSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](CC1CCOCC1)c1cccc(C)c1 ZINC000533486316 384365552 /nfs/dbraw/zinc/36/55/52/384365552.db2.gz OGBKBBAKIJRKCB-UHFFFAOYSA-N 1 2 233.355 3.248 20 0 BGADLO c1ccc([N@@H+](C[C@@H]2CCOC2)C2CCCC2)cc1 ZINC000533521135 384453921 /nfs/dbraw/zinc/45/39/21/384453921.db2.gz XVPMDKDEEFIMST-AWEZNQCLSA-N 1 2 245.366 3.472 20 0 BGADLO c1ccc([N@H+](C[C@@H]2CCOC2)C2CCCC2)cc1 ZINC000533521135 384453914 /nfs/dbraw/zinc/45/39/14/384453914.db2.gz XVPMDKDEEFIMST-AWEZNQCLSA-N 1 2 245.366 3.472 20 0 BGADLO c1ccc([N@@H+](C[C@H]2CCOC2)C2CCCC2)cc1 ZINC000533521136 384452055 /nfs/dbraw/zinc/45/20/55/384452055.db2.gz XVPMDKDEEFIMST-CQSZACIVSA-N 1 2 245.366 3.472 20 0 BGADLO c1ccc([N@H+](C[C@H]2CCOC2)C2CCCC2)cc1 ZINC000533521136 384452050 /nfs/dbraw/zinc/45/20/50/384452050.db2.gz XVPMDKDEEFIMST-CQSZACIVSA-N 1 2 245.366 3.472 20 0 BGADLO c1ccc([N@@H+](CC2CC2)C[C@@H]2CCCOC2)cc1 ZINC000533534146 384495945 /nfs/dbraw/zinc/49/59/45/384495945.db2.gz ZWQFZDIFMLKTDU-HNNXBMFYSA-N 1 2 245.366 3.330 20 0 BGADLO c1ccc([N@H+](CC2CC2)C[C@@H]2CCCOC2)cc1 ZINC000533534146 384495942 /nfs/dbraw/zinc/49/59/42/384495942.db2.gz ZWQFZDIFMLKTDU-HNNXBMFYSA-N 1 2 245.366 3.330 20 0 BGADLO c1ccc([N@@H+](CC2CC2)C[C@H]2CCCOC2)cc1 ZINC000533534147 384495026 /nfs/dbraw/zinc/49/50/26/384495026.db2.gz ZWQFZDIFMLKTDU-OAHLLOKOSA-N 1 2 245.366 3.330 20 0 BGADLO c1ccc([N@H+](CC2CC2)C[C@H]2CCCOC2)cc1 ZINC000533534147 384495022 /nfs/dbraw/zinc/49/50/22/384495022.db2.gz ZWQFZDIFMLKTDU-OAHLLOKOSA-N 1 2 245.366 3.330 20 0 BGADLO CC1(C)CN(c2cccc[nH+]2)Cc2ccccc21 ZINC000533910639 323075861 /nfs/dbraw/zinc/07/58/61/323075861.db2.gz UROHLBZSINSNFC-UHFFFAOYSA-N 1 2 238.334 3.379 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@H](C)C(CC)CC ZINC000534169317 323114231 /nfs/dbraw/zinc/11/42/31/323114231.db2.gz PDRHWDYYMBFIQT-LLVKDONJSA-N 1 2 248.370 3.077 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)C(CC)CC ZINC000534169323 323114308 /nfs/dbraw/zinc/11/43/08/323114308.db2.gz PDRHWDYYMBFIQT-NSHDSACASA-N 1 2 248.370 3.077 20 0 BGADLO CC(C)[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000534242224 323114876 /nfs/dbraw/zinc/11/48/76/323114876.db2.gz JUWQCBCEBSNOLV-LLVKDONJSA-N 1 2 229.327 3.045 20 0 BGADLO CC(C)[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000534242225 323114869 /nfs/dbraw/zinc/11/48/69/323114869.db2.gz JUWQCBCEBSNOLV-NSHDSACASA-N 1 2 229.327 3.045 20 0 BGADLO CCC[C@@H](C)N(C)c1[nH+]c2ccccc2n1C ZINC000534243311 323114963 /nfs/dbraw/zinc/11/49/63/323114963.db2.gz RUENCFXQSDTNQT-LLVKDONJSA-N 1 2 231.343 3.198 20 0 BGADLO CCC[C@H](C)N(C)c1[nH+]c2ccccc2n1C ZINC000534243312 323114886 /nfs/dbraw/zinc/11/48/86/323114886.db2.gz RUENCFXQSDTNQT-NSHDSACASA-N 1 2 231.343 3.198 20 0 BGADLO CCC1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000534244423 323115051 /nfs/dbraw/zinc/11/50/51/323115051.db2.gz PLFUFJQAYQSNMT-UHFFFAOYSA-N 1 2 243.354 3.200 20 0 BGADLO CCCC(CCC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000534299649 323115925 /nfs/dbraw/zinc/11/59/25/323115925.db2.gz CWIFGIZSSVORAL-UHFFFAOYSA-N 1 2 248.370 3.275 20 0 BGADLO CCCC1(C(=O)Nc2cc(C)[nH+]cc2C)CCC1 ZINC000534299751 323115819 /nfs/dbraw/zinc/11/58/19/323115819.db2.gz BOEZNPJUOBKLCS-UHFFFAOYSA-N 1 2 246.354 3.029 20 0 BGADLO CCC1(C(=O)Nc2cc(C)[nH+]cc2C)CCCC1 ZINC000534299853 323115782 /nfs/dbraw/zinc/11/57/82/323115782.db2.gz GWQLIRDOHBQEOC-UHFFFAOYSA-N 1 2 246.354 3.029 20 0 BGADLO CCCC[C@@H](CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000534300191 323115913 /nfs/dbraw/zinc/11/59/13/323115913.db2.gz NNFMOHKLSLNTMQ-CYBMUJFWSA-N 1 2 248.370 3.275 20 0 BGADLO CCCC[C@H](CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000534300192 323115896 /nfs/dbraw/zinc/11/58/96/323115896.db2.gz NNFMOHKLSLNTMQ-ZDUSSCGKSA-N 1 2 248.370 3.275 20 0 BGADLO CC[C@@]1(C)CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000534979424 323162419 /nfs/dbraw/zinc/16/24/19/323162419.db2.gz BXESOSLSJLZUQR-HNNXBMFYSA-N 1 2 243.354 3.200 20 0 BGADLO CC[C@]1(C)CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000534979426 323162470 /nfs/dbraw/zinc/16/24/70/323162470.db2.gz BXESOSLSJLZUQR-OAHLLOKOSA-N 1 2 243.354 3.200 20 0 BGADLO CC[N@@H+](Cc1cn[nH]c1C)Cc1ccc(C)cc1 ZINC000535072365 323165598 /nfs/dbraw/zinc/16/55/98/323165598.db2.gz NPBRMRGPEKXMMN-UHFFFAOYSA-N 1 2 243.354 3.049 20 0 BGADLO CC[N@H+](Cc1cn[nH]c1C)Cc1ccc(C)cc1 ZINC000535072365 323165597 /nfs/dbraw/zinc/16/55/97/323165597.db2.gz NPBRMRGPEKXMMN-UHFFFAOYSA-N 1 2 243.354 3.049 20 0 BGADLO CC[N@@H+](Cc1cscn1)Cc1ccc(C)cc1 ZINC000535072447 323165416 /nfs/dbraw/zinc/16/54/16/323165416.db2.gz PGJFBSIAUKJWBL-UHFFFAOYSA-N 1 2 246.379 3.474 20 0 BGADLO CC[N@H+](Cc1cscn1)Cc1ccc(C)cc1 ZINC000535072447 323165415 /nfs/dbraw/zinc/16/54/15/323165415.db2.gz PGJFBSIAUKJWBL-UHFFFAOYSA-N 1 2 246.379 3.474 20 0 BGADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000535073317 323165527 /nfs/dbraw/zinc/16/55/27/323165527.db2.gz AGLLFDDOYMUSPG-CQDKDKBSSA-N 1 2 247.386 3.119 20 0 BGADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000535073317 323165526 /nfs/dbraw/zinc/16/55/26/323165526.db2.gz AGLLFDDOYMUSPG-CQDKDKBSSA-N 1 2 247.386 3.119 20 0 BGADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000535073320 323165426 /nfs/dbraw/zinc/16/54/26/323165426.db2.gz AGLLFDDOYMUSPG-GLQYFDAESA-N 1 2 247.386 3.119 20 0 BGADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000535073320 323165425 /nfs/dbraw/zinc/16/54/25/323165425.db2.gz AGLLFDDOYMUSPG-GLQYFDAESA-N 1 2 247.386 3.119 20 0 BGADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000535073321 323165553 /nfs/dbraw/zinc/16/55/53/323165553.db2.gz AGLLFDDOYMUSPG-NILFDRSVSA-N 1 2 247.386 3.119 20 0 BGADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000535073321 323165552 /nfs/dbraw/zinc/16/55/52/323165552.db2.gz AGLLFDDOYMUSPG-NILFDRSVSA-N 1 2 247.386 3.119 20 0 BGADLO Cc1[nH]ncc1C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000535073322 323165403 /nfs/dbraw/zinc/16/54/03/323165403.db2.gz AGLLFDDOYMUSPG-TUKIKUTGSA-N 1 2 247.386 3.119 20 0 BGADLO Cc1[nH]ncc1C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000535073322 323165402 /nfs/dbraw/zinc/16/54/02/323165402.db2.gz AGLLFDDOYMUSPG-TUKIKUTGSA-N 1 2 247.386 3.119 20 0 BGADLO CCOc1cc(CC)[nH+]c2ccccc21 ZINC000535621564 323187263 /nfs/dbraw/zinc/18/72/63/323187263.db2.gz RJNHPCBXNRRFHZ-UHFFFAOYSA-N 1 2 201.269 3.196 20 0 BGADLO CC(C)=CC[N@@H+](CC(F)F)CC1CCC1 ZINC000535623166 323187174 /nfs/dbraw/zinc/18/71/74/323187174.db2.gz MHZJLESXFRIBJO-UHFFFAOYSA-N 1 2 217.303 3.320 20 0 BGADLO CC(C)=CC[N@H+](CC(F)F)CC1CCC1 ZINC000535623166 323187173 /nfs/dbraw/zinc/18/71/73/323187173.db2.gz MHZJLESXFRIBJO-UHFFFAOYSA-N 1 2 217.303 3.320 20 0 BGADLO CC[C@@H]1CCCCN1c1[nH+]c2ccccc2n1C ZINC000535689486 323188680 /nfs/dbraw/zinc/18/86/80/323188680.db2.gz ITNGCKSTNKYEDI-GFCCVEGCSA-N 1 2 243.354 3.342 20 0 BGADLO CC[C@H]1CCCCN1c1[nH+]c2ccccc2n1C ZINC000535689495 323188665 /nfs/dbraw/zinc/18/86/65/323188665.db2.gz ITNGCKSTNKYEDI-LBPRGKRZSA-N 1 2 243.354 3.342 20 0 BGADLO CC[C@@H](C)CN(C)c1[nH+]c2ccccc2n1C ZINC000535690510 323188651 /nfs/dbraw/zinc/18/86/51/323188651.db2.gz WYWLYBAZWUZYFG-LLVKDONJSA-N 1 2 231.343 3.056 20 0 BGADLO CC[C@H](C)CN(C)c1[nH+]c2ccccc2n1C ZINC000535690519 323188699 /nfs/dbraw/zinc/18/86/99/323188699.db2.gz WYWLYBAZWUZYFG-NSHDSACASA-N 1 2 231.343 3.056 20 0 BGADLO CCC[C@H](C)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000535691955 323188746 /nfs/dbraw/zinc/18/87/46/323188746.db2.gz SDPPNCHMZOMQFM-JTQLQIEISA-N 1 2 217.316 3.188 20 0 BGADLO CCC[C@@H](C)N(C)c1[nH]c2ccccc2[nH+]1 ZINC000535691956 323188733 /nfs/dbraw/zinc/18/87/33/323188733.db2.gz SDPPNCHMZOMQFM-SNVBAGLBSA-N 1 2 217.316 3.188 20 0 BGADLO Cc1cc(NC(=O)C(C)(C)CC(C)C)c(C)c[nH+]1 ZINC000535748598 323190399 /nfs/dbraw/zinc/19/03/99/323190399.db2.gz RYVQCDKIKUUHCR-UHFFFAOYSA-N 1 2 248.370 3.131 20 0 BGADLO CCCCCOc1ccccc1-n1cc[nH+]c1 ZINC000535755182 323190447 /nfs/dbraw/zinc/19/04/47/323190447.db2.gz IPUSLCYEZVDMFK-UHFFFAOYSA-N 1 2 230.311 3.441 20 0 BGADLO C[N@H+](Cc1ccoc1)Cc1cnc(C2CC2)s1 ZINC000535796484 323191736 /nfs/dbraw/zinc/19/17/36/323191736.db2.gz UKIMRONRLHVLAR-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@@H+](Cc1ccoc1)Cc1cnc(C2CC2)s1 ZINC000535796484 323191735 /nfs/dbraw/zinc/19/17/35/323191735.db2.gz UKIMRONRLHVLAR-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO CC(C)[C@@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000536501226 322975679 /nfs/dbraw/zinc/97/56/79/322975679.db2.gz FUZBNRDYTXWGHF-GFCCVEGCSA-N 1 2 243.354 3.056 20 0 BGADLO CC(C)[C@H]1CCN(c2[nH+]c3ccccc3n2C)C1 ZINC000536501237 384880645 /nfs/dbraw/zinc/88/06/45/384880645.db2.gz FUZBNRDYTXWGHF-LBPRGKRZSA-N 1 2 243.354 3.056 20 0 BGADLO C[C@@H](N(C)c1[nH+]c2ccccc2n1C)C(C)(C)C ZINC000536501598 384880627 /nfs/dbraw/zinc/88/06/27/384880627.db2.gz IFSBWOWUHYNZST-LLVKDONJSA-N 1 2 245.370 3.444 20 0 BGADLO C[C@H](N(C)c1[nH+]c2ccccc2n1C)C(C)(C)C ZINC000536501610 384880293 /nfs/dbraw/zinc/88/02/93/384880293.db2.gz IFSBWOWUHYNZST-NSHDSACASA-N 1 2 245.370 3.444 20 0 BGADLO CCCCN(CC)c1[nH+]c2ccccc2n1C ZINC000536503488 384880661 /nfs/dbraw/zinc/88/06/61/384880661.db2.gz YOCBZVUJACTBRY-UHFFFAOYSA-N 1 2 231.343 3.200 20 0 BGADLO Cc1cc(NC(=O)C2CCCCCC2)c(C)c[nH+]1 ZINC000536574470 323197951 /nfs/dbraw/zinc/19/79/51/323197951.db2.gz TUUCPSPNSRNKPD-UHFFFAOYSA-N 1 2 246.354 3.029 20 0 BGADLO CCC(CC)[C@@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536574645 323198018 /nfs/dbraw/zinc/19/80/18/323198018.db2.gz JFIXGAVKDZSOQV-GFCCVEGCSA-N 1 2 248.370 3.131 20 0 BGADLO CCC(CC)[C@H](C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000536574646 323198083 /nfs/dbraw/zinc/19/80/83/323198083.db2.gz JFIXGAVKDZSOQV-LBPRGKRZSA-N 1 2 248.370 3.131 20 0 BGADLO CCC[C@@H](C(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000536575146 323198065 /nfs/dbraw/zinc/19/80/65/323198065.db2.gz FSTJGXRQZBPJQU-CYBMUJFWSA-N 1 2 248.370 3.131 20 0 BGADLO CCC[C@H](C(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000536575148 323198157 /nfs/dbraw/zinc/19/81/57/323198157.db2.gz FSTJGXRQZBPJQU-ZDUSSCGKSA-N 1 2 248.370 3.131 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CC[C@](C)(F)C1 ZINC000536578216 323198205 /nfs/dbraw/zinc/19/82/05/323198205.db2.gz BCQGQTGUCUKOLT-HNNXBMFYSA-N 1 2 244.313 3.482 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CC[C@@](C)(F)C1 ZINC000536578217 323198277 /nfs/dbraw/zinc/19/82/77/323198277.db2.gz BCQGQTGUCUKOLT-OAHLLOKOSA-N 1 2 244.313 3.482 20 0 BGADLO C[N@@H+](CC(F)F)C[C@H]1CCCC(C)(C)C1 ZINC000536654430 323199655 /nfs/dbraw/zinc/19/96/55/323199655.db2.gz CWDZOAQHXJVXGK-JTQLQIEISA-N 1 2 219.319 3.400 20 0 BGADLO C[N@H+](CC(F)F)C[C@H]1CCCC(C)(C)C1 ZINC000536654430 323199654 /nfs/dbraw/zinc/19/96/54/323199654.db2.gz CWDZOAQHXJVXGK-JTQLQIEISA-N 1 2 219.319 3.400 20 0 BGADLO C[N@@H+](CC(F)F)C[C@@H]1CCCC(C)(C)C1 ZINC000536654431 323199648 /nfs/dbraw/zinc/19/96/48/323199648.db2.gz CWDZOAQHXJVXGK-SNVBAGLBSA-N 1 2 219.319 3.400 20 0 BGADLO C[N@H+](CC(F)F)C[C@@H]1CCCC(C)(C)C1 ZINC000536654431 323199647 /nfs/dbraw/zinc/19/96/47/323199647.db2.gz CWDZOAQHXJVXGK-SNVBAGLBSA-N 1 2 219.319 3.400 20 0 BGADLO CC[C@H](c1ccccc1)[N@H+]1CCC(F)(F)C1 ZINC000537368850 324067362 /nfs/dbraw/zinc/06/73/62/324067362.db2.gz OFNJPOMSHGIMJQ-GFCCVEGCSA-N 1 2 225.282 3.479 20 0 BGADLO CC[C@H](c1ccccc1)[N@@H+]1CCC(F)(F)C1 ZINC000537368850 324067359 /nfs/dbraw/zinc/06/73/59/324067359.db2.gz OFNJPOMSHGIMJQ-GFCCVEGCSA-N 1 2 225.282 3.479 20 0 BGADLO CC[C@@H](c1ccccc1)[N@H+]1CCC(F)(F)C1 ZINC000537368860 324067469 /nfs/dbraw/zinc/06/74/69/324067469.db2.gz OFNJPOMSHGIMJQ-LBPRGKRZSA-N 1 2 225.282 3.479 20 0 BGADLO CC[C@@H](c1ccccc1)[N@@H+]1CCC(F)(F)C1 ZINC000537368860 324067464 /nfs/dbraw/zinc/06/74/64/324067464.db2.gz OFNJPOMSHGIMJQ-LBPRGKRZSA-N 1 2 225.282 3.479 20 0 BGADLO CCc1ccc(CC[N@H+]2CCC(F)(F)C2)cc1 ZINC000537372771 324067539 /nfs/dbraw/zinc/06/75/39/324067539.db2.gz JOQMVPHTUBSROA-UHFFFAOYSA-N 1 2 239.309 3.133 20 0 BGADLO CCc1ccc(CC[N@@H+]2CCC(F)(F)C2)cc1 ZINC000537372771 324067535 /nfs/dbraw/zinc/06/75/35/324067535.db2.gz JOQMVPHTUBSROA-UHFFFAOYSA-N 1 2 239.309 3.133 20 0 BGADLO CCCCSCc1cc(OC)cc(C)[nH+]1 ZINC000537421693 324070706 /nfs/dbraw/zinc/07/07/06/324070706.db2.gz APQMIBXTIHMCMX-UHFFFAOYSA-N 1 2 225.357 3.432 20 0 BGADLO CC1(C)CC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000537634324 324091882 /nfs/dbraw/zinc/09/18/82/324091882.db2.gz ICGNYZYMAISNPP-UHFFFAOYSA-N 1 2 229.245 3.088 20 0 BGADLO CC1(C)CC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000537634324 324091878 /nfs/dbraw/zinc/09/18/78/324091878.db2.gz ICGNYZYMAISNPP-UHFFFAOYSA-N 1 2 229.245 3.088 20 0 BGADLO Cc1cc(C)c(C[N@H+]2CCC(F)(F)C2)cc1C ZINC000538493703 388697493 /nfs/dbraw/zinc/69/74/93/388697493.db2.gz AZYHPQMPWVEAGB-UHFFFAOYSA-N 1 2 239.309 3.453 20 0 BGADLO Cc1cc(C)c(C[N@@H+]2CCC(F)(F)C2)cc1C ZINC000538493703 388697491 /nfs/dbraw/zinc/69/74/91/388697491.db2.gz AZYHPQMPWVEAGB-UHFFFAOYSA-N 1 2 239.309 3.453 20 0 BGADLO CC[C@H]1CC[C@@H](C)N1c1[nH+]c2ccccc2n1C ZINC000538978855 388743438 /nfs/dbraw/zinc/74/34/38/388743438.db2.gz GUJFOMVFZKSMNV-NEPJUHHUSA-N 1 2 243.354 3.341 20 0 BGADLO CC[C@@H]1CC[C@H](C)N1c1[nH+]c2ccccc2n1C ZINC000538978865 388743386 /nfs/dbraw/zinc/74/33/86/388743386.db2.gz GUJFOMVFZKSMNV-NWDGAFQWSA-N 1 2 243.354 3.341 20 0 BGADLO CC[C@H]1CC[C@H](C)N1c1[nH+]c2ccccc2n1C ZINC000538978866 388742996 /nfs/dbraw/zinc/74/29/96/388742996.db2.gz GUJFOMVFZKSMNV-RYUDHWBXSA-N 1 2 243.354 3.341 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N1c1[nH+]c2ccccc2n1C ZINC000538978867 388743085 /nfs/dbraw/zinc/74/30/85/388743085.db2.gz GUJFOMVFZKSMNV-VXGBXAGGSA-N 1 2 243.354 3.341 20 0 BGADLO C[C@H](CCc1ccccc1)C[N@@H+](C)CC(F)F ZINC000539409372 388758328 /nfs/dbraw/zinc/75/83/28/388758328.db2.gz TVQWEWYZVNBFMK-GFCCVEGCSA-N 1 2 241.325 3.452 20 0 BGADLO C[C@H](CCc1ccccc1)C[N@H+](C)CC(F)F ZINC000539409372 388758327 /nfs/dbraw/zinc/75/83/27/388758327.db2.gz TVQWEWYZVNBFMK-GFCCVEGCSA-N 1 2 241.325 3.452 20 0 BGADLO C[C@@H](CCc1ccccc1)C[N@@H+](C)CC(F)F ZINC000539409373 388758124 /nfs/dbraw/zinc/75/81/24/388758124.db2.gz TVQWEWYZVNBFMK-LBPRGKRZSA-N 1 2 241.325 3.452 20 0 BGADLO C[C@@H](CCc1ccccc1)C[N@H+](C)CC(F)F ZINC000539409373 388758119 /nfs/dbraw/zinc/75/81/19/388758119.db2.gz TVQWEWYZVNBFMK-LBPRGKRZSA-N 1 2 241.325 3.452 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CCC(F)(F)C1 ZINC000539549108 388764663 /nfs/dbraw/zinc/76/46/63/388764663.db2.gz VNCWUURMHKEYHU-UHFFFAOYSA-N 1 2 248.276 3.389 20 0 BGADLO Cc1cc(C)c(C[N@H+]2CCC(F)(F)C2)c(C)c1 ZINC000539571226 388765982 /nfs/dbraw/zinc/76/59/82/388765982.db2.gz AGDUTOXWCCUEJV-UHFFFAOYSA-N 1 2 239.309 3.453 20 0 BGADLO Cc1cc(C)c(C[N@@H+]2CCC(F)(F)C2)c(C)c1 ZINC000539571226 388765980 /nfs/dbraw/zinc/76/59/80/388765980.db2.gz AGDUTOXWCCUEJV-UHFFFAOYSA-N 1 2 239.309 3.453 20 0 BGADLO C[C@H](CCc1ccccc1)[N@H+]1CCC(F)(F)C1 ZINC000539571774 388766680 /nfs/dbraw/zinc/76/66/80/388766680.db2.gz BIVFCAGGJJYGBP-GFCCVEGCSA-N 1 2 239.309 3.349 20 0 BGADLO C[C@H](CCc1ccccc1)[N@@H+]1CCC(F)(F)C1 ZINC000539571774 388766679 /nfs/dbraw/zinc/76/66/79/388766679.db2.gz BIVFCAGGJJYGBP-GFCCVEGCSA-N 1 2 239.309 3.349 20 0 BGADLO C[C@@H](CCc1ccccc1)[N@H+]1CCC(F)(F)C1 ZINC000539571775 388766642 /nfs/dbraw/zinc/76/66/42/388766642.db2.gz BIVFCAGGJJYGBP-LBPRGKRZSA-N 1 2 239.309 3.349 20 0 BGADLO C[C@@H](CCc1ccccc1)[N@@H+]1CCC(F)(F)C1 ZINC000539571775 388766641 /nfs/dbraw/zinc/76/66/41/388766641.db2.gz BIVFCAGGJJYGBP-LBPRGKRZSA-N 1 2 239.309 3.349 20 0 BGADLO C[C@H](C[N@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000539577163 388766559 /nfs/dbraw/zinc/76/65/59/388766559.db2.gz KKMJEZDZWYGWRS-LLVKDONJSA-N 1 2 225.282 3.131 20 0 BGADLO C[C@H](C[N@@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000539577163 388766558 /nfs/dbraw/zinc/76/65/58/388766558.db2.gz KKMJEZDZWYGWRS-LLVKDONJSA-N 1 2 225.282 3.131 20 0 BGADLO C[C@@H](C[N@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000539577164 388766777 /nfs/dbraw/zinc/76/67/77/388766777.db2.gz KKMJEZDZWYGWRS-NSHDSACASA-N 1 2 225.282 3.131 20 0 BGADLO C[C@@H](C[N@@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000539577164 388766775 /nfs/dbraw/zinc/76/67/75/388766775.db2.gz KKMJEZDZWYGWRS-NSHDSACASA-N 1 2 225.282 3.131 20 0 BGADLO CC[C@H](Nc1ccc(C)[nH+]c1)C1CCOCC1 ZINC000539651006 324850532 /nfs/dbraw/zinc/85/05/32/324850532.db2.gz UDBRZFOYYJBBJX-AWEZNQCLSA-N 1 2 234.343 3.007 20 0 BGADLO CC[C@@H](Nc1ccc(C)[nH+]c1)C1CCOCC1 ZINC000539651007 388770178 /nfs/dbraw/zinc/77/01/78/388770178.db2.gz UDBRZFOYYJBBJX-CQSZACIVSA-N 1 2 234.343 3.007 20 0 BGADLO CC(C)(C)c1nc(C[N@H+]2CCC2(C)C)cs1 ZINC000539835190 388783721 /nfs/dbraw/zinc/78/37/21/388783721.db2.gz VCAZZSALFHTJQK-UHFFFAOYSA-N 1 2 238.400 3.425 20 0 BGADLO CC(C)(C)c1nc(C[N@@H+]2CCC2(C)C)cs1 ZINC000539835190 388783720 /nfs/dbraw/zinc/78/37/20/388783720.db2.gz VCAZZSALFHTJQK-UHFFFAOYSA-N 1 2 238.400 3.425 20 0 BGADLO CC1(C)CC[N@H+]1Cc1csc(C2CC2)n1 ZINC000539835944 388782922 /nfs/dbraw/zinc/78/29/22/388782922.db2.gz OCBDMYCWCGMONQ-UHFFFAOYSA-N 1 2 222.357 3.005 20 0 BGADLO CC1(C)CC[N@@H+]1Cc1csc(C2CC2)n1 ZINC000539835944 388782917 /nfs/dbraw/zinc/78/29/17/388782917.db2.gz OCBDMYCWCGMONQ-UHFFFAOYSA-N 1 2 222.357 3.005 20 0 BGADLO Cc1ccccc1CCC[N@H+]1CCC(F)(F)C1 ZINC000540676901 388815742 /nfs/dbraw/zinc/81/57/42/388815742.db2.gz ZDBSLKONYANICW-UHFFFAOYSA-N 1 2 239.309 3.269 20 0 BGADLO Cc1ccccc1CCC[N@@H+]1CCC(F)(F)C1 ZINC000540676901 388815738 /nfs/dbraw/zinc/81/57/38/388815738.db2.gz ZDBSLKONYANICW-UHFFFAOYSA-N 1 2 239.309 3.269 20 0 BGADLO CCC(CC)(CC)C[N@@H+](C)CC(F)F ZINC000541091023 388837461 /nfs/dbraw/zinc/83/74/61/388837461.db2.gz UMLKTEJPKRIQIQ-UHFFFAOYSA-N 1 2 207.308 3.400 20 0 BGADLO CCC(CC)(CC)C[N@H+](C)CC(F)F ZINC000541091023 388837456 /nfs/dbraw/zinc/83/74/56/388837456.db2.gz UMLKTEJPKRIQIQ-UHFFFAOYSA-N 1 2 207.308 3.400 20 0 BGADLO c1[nH+]c2c(cc1N[C@@H]1CCCSC1)CCCC2 ZINC000541255977 388846287 /nfs/dbraw/zinc/84/62/87/388846287.db2.gz RXLKMPRIMCHAEP-GFCCVEGCSA-N 1 2 248.395 3.268 20 0 BGADLO c1[nH+]c2c(cc1N[C@H]1CCCSC1)CCCC2 ZINC000541255978 324952351 /nfs/dbraw/zinc/95/23/51/324952351.db2.gz RXLKMPRIMCHAEP-LBPRGKRZSA-N 1 2 248.395 3.268 20 0 BGADLO c1[nH+]c2c(cc1NC1CCSCC1)CCCC2 ZINC000541256138 388846165 /nfs/dbraw/zinc/84/61/65/388846165.db2.gz ZYAGMLHDIPZRMA-UHFFFAOYSA-N 1 2 248.395 3.268 20 0 BGADLO Cc1cccc([C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000541344192 324956454 /nfs/dbraw/zinc/95/64/54/324956454.db2.gz BFULHHXQTJZSSN-HNNXBMFYSA-N 1 2 238.334 3.384 20 0 BGADLO Cc1cccc([C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000541344202 388849656 /nfs/dbraw/zinc/84/96/56/388849656.db2.gz BFULHHXQTJZSSN-OAHLLOKOSA-N 1 2 238.334 3.384 20 0 BGADLO CC(C)(O)CC[N@@H+](CC1CCC1)c1ccccc1 ZINC000541586899 388858758 /nfs/dbraw/zinc/85/87/58/388858758.db2.gz BRDGHULKEBYTPX-UHFFFAOYSA-N 1 2 247.382 3.454 20 0 BGADLO CC(C)(O)CC[N@H+](CC1CCC1)c1ccccc1 ZINC000541586899 388858754 /nfs/dbraw/zinc/85/87/54/388858754.db2.gz BRDGHULKEBYTPX-UHFFFAOYSA-N 1 2 247.382 3.454 20 0 BGADLO CC[C@@H]1CCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC000542020256 325004625 /nfs/dbraw/zinc/00/46/25/325004625.db2.gz XCJIRJBAUKIAGB-GFCCVEGCSA-N 1 2 245.370 3.043 20 0 BGADLO CC[C@H]1CCCN1c1nc(C)[nH+]c2c1CCCC2 ZINC000542020257 325004711 /nfs/dbraw/zinc/00/47/11/325004711.db2.gz XCJIRJBAUKIAGB-LBPRGKRZSA-N 1 2 245.370 3.043 20 0 BGADLO C[C@H](Cc1ccsc1)[N@@H+](CC(F)F)C1CC1 ZINC000542166808 325012350 /nfs/dbraw/zinc/01/23/50/325012350.db2.gz CGMSARQPFMNYKP-SECBINFHSA-N 1 2 245.338 3.409 20 0 BGADLO C[C@H](Cc1ccsc1)[N@H+](CC(F)F)C1CC1 ZINC000542166808 325012347 /nfs/dbraw/zinc/01/23/47/325012347.db2.gz CGMSARQPFMNYKP-SECBINFHSA-N 1 2 245.338 3.409 20 0 BGADLO C[C@@H](Cc1ccsc1)[N@@H+](CC(F)F)C1CC1 ZINC000542166809 325012332 /nfs/dbraw/zinc/01/23/32/325012332.db2.gz CGMSARQPFMNYKP-VIFPVBQESA-N 1 2 245.338 3.409 20 0 BGADLO C[C@@H](Cc1ccsc1)[N@H+](CC(F)F)C1CC1 ZINC000542166809 325012330 /nfs/dbraw/zinc/01/23/30/325012330.db2.gz CGMSARQPFMNYKP-VIFPVBQESA-N 1 2 245.338 3.409 20 0 BGADLO CC(C)(C)[C@@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000542268831 325017672 /nfs/dbraw/zinc/01/76/72/325017672.db2.gz AIAWMPWNZAKAFR-LLVKDONJSA-N 1 2 243.354 3.435 20 0 BGADLO CC(C)(C)[C@H]1CCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000542268835 325017683 /nfs/dbraw/zinc/01/76/83/325017683.db2.gz AIAWMPWNZAKAFR-NSHDSACASA-N 1 2 243.354 3.435 20 0 BGADLO Cc1ccc(CCC[N@H+](C)CC(F)F)cc1 ZINC000542277486 325017790 /nfs/dbraw/zinc/01/77/90/325017790.db2.gz SOOFINPJENFRKQ-UHFFFAOYSA-N 1 2 227.298 3.125 20 0 BGADLO Cc1ccc(CCC[N@@H+](C)CC(F)F)cc1 ZINC000542277486 325017787 /nfs/dbraw/zinc/01/77/87/325017787.db2.gz SOOFINPJENFRKQ-UHFFFAOYSA-N 1 2 227.298 3.125 20 0 BGADLO CC[C@@H]1CCC[C@@H](C[N@@H+](C)CC(F)F)C1 ZINC000542464707 325028934 /nfs/dbraw/zinc/02/89/34/325028934.db2.gz GANXWUKSDSCJNK-GHMZBOCLSA-N 1 2 219.319 3.400 20 0 BGADLO CC[C@@H]1CCC[C@@H](C[N@H+](C)CC(F)F)C1 ZINC000542464707 325028933 /nfs/dbraw/zinc/02/89/33/325028933.db2.gz GANXWUKSDSCJNK-GHMZBOCLSA-N 1 2 219.319 3.400 20 0 BGADLO CC[C@@H]1CCC[C@H](C[N@@H+](C)CC(F)F)C1 ZINC000542464715 325029181 /nfs/dbraw/zinc/02/91/81/325029181.db2.gz GANXWUKSDSCJNK-MNOVXSKESA-N 1 2 219.319 3.400 20 0 BGADLO CC[C@@H]1CCC[C@H](C[N@H+](C)CC(F)F)C1 ZINC000542464715 325029176 /nfs/dbraw/zinc/02/91/76/325029176.db2.gz GANXWUKSDSCJNK-MNOVXSKESA-N 1 2 219.319 3.400 20 0 BGADLO CC[C@H]1CCC[C@H](C[N@@H+](C)CC(F)F)C1 ZINC000542464716 325029149 /nfs/dbraw/zinc/02/91/49/325029149.db2.gz GANXWUKSDSCJNK-QWRGUYRKSA-N 1 2 219.319 3.400 20 0 BGADLO CC[C@H]1CCC[C@H](C[N@H+](C)CC(F)F)C1 ZINC000542464716 325029145 /nfs/dbraw/zinc/02/91/45/325029145.db2.gz GANXWUKSDSCJNK-QWRGUYRKSA-N 1 2 219.319 3.400 20 0 BGADLO CC[C@H]1CCC[C@@H](C[N@@H+](C)CC(F)F)C1 ZINC000542464717 325028393 /nfs/dbraw/zinc/02/83/93/325028393.db2.gz GANXWUKSDSCJNK-WDEREUQCSA-N 1 2 219.319 3.400 20 0 BGADLO CC[C@H]1CCC[C@@H](C[N@H+](C)CC(F)F)C1 ZINC000542464717 325028390 /nfs/dbraw/zinc/02/83/90/325028390.db2.gz GANXWUKSDSCJNK-WDEREUQCSA-N 1 2 219.319 3.400 20 0 BGADLO CC[N@@H+](CCC(C)(C)O)c1cc(C)cc(C)c1 ZINC000542515369 325032354 /nfs/dbraw/zinc/03/23/54/325032354.db2.gz ZWFCGBSGBBYAFZ-UHFFFAOYSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC(C)(C)O)c1cc(C)cc(C)c1 ZINC000542515369 325032352 /nfs/dbraw/zinc/03/23/52/325032352.db2.gz ZWFCGBSGBBYAFZ-UHFFFAOYSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](Cc1cc(C)cc(C)c1)CC(F)F ZINC000542690395 325042665 /nfs/dbraw/zinc/04/26/65/325042665.db2.gz BFGKIFADHUCIKW-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO CC[N@@H+](Cc1cc(C)cc(C)c1)CC(F)F ZINC000542690395 325042662 /nfs/dbraw/zinc/04/26/62/325042662.db2.gz BFGKIFADHUCIKW-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO CC[N@H+](Cc1ccc(C)c(C)c1)CC(F)F ZINC000542692995 325041647 /nfs/dbraw/zinc/04/16/47/325041647.db2.gz SRZSCAOTGDTYTB-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO CC[N@@H+](Cc1ccc(C)c(C)c1)CC(F)F ZINC000542692995 325041644 /nfs/dbraw/zinc/04/16/44/325041644.db2.gz SRZSCAOTGDTYTB-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO CC[N@H+](Cc1cc(C)ccc1C)CC(F)F ZINC000542693256 325042467 /nfs/dbraw/zinc/04/24/67/325042467.db2.gz POXZDTALYGYYLZ-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO CC[N@@H+](Cc1cc(C)ccc1C)CC(F)F ZINC000542693256 325042463 /nfs/dbraw/zinc/04/24/63/325042463.db2.gz POXZDTALYGYYLZ-UHFFFAOYSA-N 1 2 227.298 3.390 20 0 BGADLO CCc1cc(Nc2ccccc2)nc(C)[nH+]1 ZINC000542906148 388085095 /nfs/dbraw/zinc/08/50/95/388085095.db2.gz AANPXIPPFFXNOU-UHFFFAOYSA-N 1 2 213.284 3.091 20 0 BGADLO C[C@@H](CCc1cccc(F)c1)[N@@H+](C)CC(F)F ZINC000543080524 398193786 /nfs/dbraw/zinc/19/37/86/398193786.db2.gz ADCITEYALVDCPE-JTQLQIEISA-N 1 2 245.288 3.344 20 0 BGADLO C[C@@H](CCc1cccc(F)c1)[N@H+](C)CC(F)F ZINC000543080524 398193782 /nfs/dbraw/zinc/19/37/82/398193782.db2.gz ADCITEYALVDCPE-JTQLQIEISA-N 1 2 245.288 3.344 20 0 BGADLO C[C@H](CCc1cccc(F)c1)[N@@H+](C)CC(F)F ZINC000543080525 398193823 /nfs/dbraw/zinc/19/38/23/398193823.db2.gz ADCITEYALVDCPE-SNVBAGLBSA-N 1 2 245.288 3.344 20 0 BGADLO C[C@H](CCc1cccc(F)c1)[N@H+](C)CC(F)F ZINC000543080525 398193822 /nfs/dbraw/zinc/19/38/22/398193822.db2.gz ADCITEYALVDCPE-SNVBAGLBSA-N 1 2 245.288 3.344 20 0 BGADLO Cc1ccc(CCC[N@H+]2CCC(F)(F)C2)cc1 ZINC000543185806 325076519 /nfs/dbraw/zinc/07/65/19/325076519.db2.gz PRRZADWWCPOAFI-UHFFFAOYSA-N 1 2 239.309 3.269 20 0 BGADLO Cc1ccc(CCC[N@@H+]2CCC(F)(F)C2)cc1 ZINC000543185806 325076518 /nfs/dbraw/zinc/07/65/18/325076518.db2.gz PRRZADWWCPOAFI-UHFFFAOYSA-N 1 2 239.309 3.269 20 0 BGADLO C[N@@H+](CCCc1ccccc1Cl)CC(F)F ZINC000543202724 325077250 /nfs/dbraw/zinc/07/72/50/325077250.db2.gz LOHSEVTZLQIIJJ-UHFFFAOYSA-N 1 2 247.716 3.470 20 0 BGADLO C[N@H+](CCCc1ccccc1Cl)CC(F)F ZINC000543202724 325077248 /nfs/dbraw/zinc/07/72/48/325077248.db2.gz LOHSEVTZLQIIJJ-UHFFFAOYSA-N 1 2 247.716 3.470 20 0 BGADLO CC(C)c1nc(N2CC[C@@H](C(C)(C)C)C2)cc[nH+]1 ZINC000543203994 325074939 /nfs/dbraw/zinc/07/49/39/325074939.db2.gz VLFQTAXELCKXCF-GFCCVEGCSA-N 1 2 247.386 3.472 20 0 BGADLO CC(C)c1nc(N2CC[C@H](C(C)(C)C)C2)cc[nH+]1 ZINC000543203996 325075073 /nfs/dbraw/zinc/07/50/73/325075073.db2.gz VLFQTAXELCKXCF-LBPRGKRZSA-N 1 2 247.386 3.472 20 0 BGADLO CCc1cnc(C[N@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000543989643 325125072 /nfs/dbraw/zinc/12/50/72/325125072.db2.gz UGFFZQYYQCQQQS-LLVKDONJSA-N 1 2 242.322 3.314 20 0 BGADLO CCc1cnc(C[N@@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000543989643 325125070 /nfs/dbraw/zinc/12/50/70/325125070.db2.gz UGFFZQYYQCQQQS-LLVKDONJSA-N 1 2 242.322 3.314 20 0 BGADLO CCc1cnc(C[N@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000543989644 325125255 /nfs/dbraw/zinc/12/52/55/325125255.db2.gz UGFFZQYYQCQQQS-NSHDSACASA-N 1 2 242.322 3.314 20 0 BGADLO CCc1cnc(C[N@@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000543989644 325125251 /nfs/dbraw/zinc/12/52/51/325125251.db2.gz UGFFZQYYQCQQQS-NSHDSACASA-N 1 2 242.322 3.314 20 0 BGADLO C[C@H](Cc1ccsc1)[N@H+]1CCC(F)(F)C1 ZINC000543992746 325126360 /nfs/dbraw/zinc/12/63/60/325126360.db2.gz ODYYKKUQJAHXNV-SECBINFHSA-N 1 2 231.311 3.020 20 0 BGADLO C[C@H](Cc1ccsc1)[N@@H+]1CCC(F)(F)C1 ZINC000543992746 325126357 /nfs/dbraw/zinc/12/63/57/325126357.db2.gz ODYYKKUQJAHXNV-SECBINFHSA-N 1 2 231.311 3.020 20 0 BGADLO C[C@@H](Cc1ccsc1)[N@H+]1CCC(F)(F)C1 ZINC000543992748 325125836 /nfs/dbraw/zinc/12/58/36/325125836.db2.gz ODYYKKUQJAHXNV-VIFPVBQESA-N 1 2 231.311 3.020 20 0 BGADLO C[C@@H](Cc1ccsc1)[N@@H+]1CCC(F)(F)C1 ZINC000543992748 325125833 /nfs/dbraw/zinc/12/58/33/325125833.db2.gz ODYYKKUQJAHXNV-VIFPVBQESA-N 1 2 231.311 3.020 20 0 BGADLO CCC[C@H](C[NH+]1CC(F)C1)c1ccccc1 ZINC000544369532 325139728 /nfs/dbraw/zinc/13/97/28/325139728.db2.gz YUYOPAWVRVDTTO-CYBMUJFWSA-N 1 2 221.319 3.224 20 0 BGADLO CCC[C@@H](C[NH+]1CC(F)C1)c1ccccc1 ZINC000544369533 325139761 /nfs/dbraw/zinc/13/97/61/325139761.db2.gz YUYOPAWVRVDTTO-ZDUSSCGKSA-N 1 2 221.319 3.224 20 0 BGADLO CCCC[C@H](CC)C[N@@H+](C)CC(F)F ZINC000545517783 325225975 /nfs/dbraw/zinc/22/59/75/325225975.db2.gz YVDWGVVNIKJULX-JTQLQIEISA-N 1 2 207.308 3.400 20 0 BGADLO CCCC[C@H](CC)C[N@H+](C)CC(F)F ZINC000545517783 325225971 /nfs/dbraw/zinc/22/59/71/325225971.db2.gz YVDWGVVNIKJULX-JTQLQIEISA-N 1 2 207.308 3.400 20 0 BGADLO CCCC[C@@H](CC)C[N@@H+](C)CC(F)F ZINC000545517784 325225997 /nfs/dbraw/zinc/22/59/97/325225997.db2.gz YVDWGVVNIKJULX-SNVBAGLBSA-N 1 2 207.308 3.400 20 0 BGADLO CCCC[C@@H](CC)C[N@H+](C)CC(F)F ZINC000545517784 325225993 /nfs/dbraw/zinc/22/59/93/325225993.db2.gz YVDWGVVNIKJULX-SNVBAGLBSA-N 1 2 207.308 3.400 20 0 BGADLO CCSCCOc1ccccc1-n1cc[nH+]c1 ZINC000545890001 325242301 /nfs/dbraw/zinc/24/23/01/325242301.db2.gz SCZGPDSCQOKFQG-UHFFFAOYSA-N 1 2 248.351 3.004 20 0 BGADLO FC1=CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000546035150 325261480 /nfs/dbraw/zinc/26/14/80/325261480.db2.gz DHGOGHHBLUWAFJ-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO FC1=CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000546035150 325261478 /nfs/dbraw/zinc/26/14/78/325261478.db2.gz DHGOGHHBLUWAFJ-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO CCc1ccc(C[N@H+]2CCC=C(F)C2)s1 ZINC000546035363 325261881 /nfs/dbraw/zinc/26/18/81/325261881.db2.gz MAWXKNYSHXPGNR-UHFFFAOYSA-N 1 2 225.332 3.370 20 0 BGADLO CCc1ccc(C[N@@H+]2CCC=C(F)C2)s1 ZINC000546035363 325261878 /nfs/dbraw/zinc/26/18/78/325261878.db2.gz MAWXKNYSHXPGNR-UHFFFAOYSA-N 1 2 225.332 3.370 20 0 BGADLO CC(C)c1nc(C[N@@H+]2[C@H](C)C[C@@H]2C)cs1 ZINC000548096276 388510762 /nfs/dbraw/zinc/51/07/62/388510762.db2.gz LTOPWYAPQPCMEY-AOOOYVTPSA-N 1 2 224.373 3.249 20 0 BGADLO CC(C)c1nc(C[N@H+]2[C@H](C)C[C@@H]2C)cs1 ZINC000548096276 388510760 /nfs/dbraw/zinc/51/07/60/388510760.db2.gz LTOPWYAPQPCMEY-AOOOYVTPSA-N 1 2 224.373 3.249 20 0 BGADLO CC(C)c1nc(C[NH+]2[C@H](C)C[C@H]2C)cs1 ZINC000548096277 388510421 /nfs/dbraw/zinc/51/04/21/388510421.db2.gz LTOPWYAPQPCMEY-NXEZZACHSA-N 1 2 224.373 3.249 20 0 BGADLO CC(C)c1nc(C[NH+]2[C@@H](C)C[C@@H]2C)cs1 ZINC000548096278 325428863 /nfs/dbraw/zinc/42/88/63/325428863.db2.gz LTOPWYAPQPCMEY-UWVGGRQHSA-N 1 2 224.373 3.249 20 0 BGADLO CCCC[C@H](COC)Nc1ccc(C)[nH+]c1C ZINC000548523614 388546729 /nfs/dbraw/zinc/54/67/29/388546729.db2.gz DJRHOQBGPVEYPQ-CYBMUJFWSA-N 1 2 236.359 3.316 20 0 BGADLO CCCC[C@@H](COC)Nc1ccc(C)[nH+]c1C ZINC000548523615 388546690 /nfs/dbraw/zinc/54/66/90/388546690.db2.gz DJRHOQBGPVEYPQ-ZDUSSCGKSA-N 1 2 236.359 3.316 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1csc(C(C)(C)C)n1 ZINC000548754294 388556974 /nfs/dbraw/zinc/55/69/74/388556974.db2.gz RFWKPVCPAHOVPA-AOOOYVTPSA-N 1 2 238.400 3.423 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1csc(C(C)(C)C)n1 ZINC000548754294 388556972 /nfs/dbraw/zinc/55/69/72/388556972.db2.gz RFWKPVCPAHOVPA-AOOOYVTPSA-N 1 2 238.400 3.423 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1csc(C(C)(C)C)n1 ZINC000548754295 325479358 /nfs/dbraw/zinc/47/93/58/325479358.db2.gz RFWKPVCPAHOVPA-NXEZZACHSA-N 1 2 238.400 3.423 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1csc(C(C)(C)C)n1 ZINC000548754296 388557531 /nfs/dbraw/zinc/55/75/31/388557531.db2.gz RFWKPVCPAHOVPA-UWVGGRQHSA-N 1 2 238.400 3.423 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2ncccc2F)oc1C ZINC000548792827 325484686 /nfs/dbraw/zinc/48/46/86/325484686.db2.gz UWYCXROCWQIPKY-JTQLQIEISA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2ncccc2F)oc1C ZINC000548792831 388563877 /nfs/dbraw/zinc/56/38/77/388563877.db2.gz UWYCXROCWQIPKY-SNVBAGLBSA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NCC[C@@H](C)F ZINC000549233028 325498864 /nfs/dbraw/zinc/49/88/64/325498864.db2.gz ROMITONJAKSIEK-LLVKDONJSA-N 1 2 232.302 3.125 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NCC[C@H](C)F ZINC000549233033 388576027 /nfs/dbraw/zinc/57/60/27/388576027.db2.gz ROMITONJAKSIEK-NSHDSACASA-N 1 2 232.302 3.125 20 0 BGADLO CC1C[NH+](Cc2ccc(Cl)cc2Cl)C1 ZINC000549408098 388579004 /nfs/dbraw/zinc/57/90/04/388579004.db2.gz KPOFFEZJZHZYSE-UHFFFAOYSA-N 1 2 230.138 3.445 20 0 BGADLO c1nc([C@H]2CCC[N@H+]2[C@@H]2C=CCCCCC2)no1 ZINC000549801138 388591431 /nfs/dbraw/zinc/59/14/31/388591431.db2.gz PCTNHBNMAVNUBA-CHWSQXEVSA-N 1 2 247.342 3.095 20 0 BGADLO c1nc([C@H]2CCC[N@@H+]2[C@@H]2C=CCCCCC2)no1 ZINC000549801138 388591429 /nfs/dbraw/zinc/59/14/29/388591429.db2.gz PCTNHBNMAVNUBA-CHWSQXEVSA-N 1 2 247.342 3.095 20 0 BGADLO c1nc([C@@H]2CCC[N@H+]2[C@@H]2C=CCCCCC2)no1 ZINC000549801148 388591919 /nfs/dbraw/zinc/59/19/19/388591919.db2.gz PCTNHBNMAVNUBA-OLZOCXBDSA-N 1 2 247.342 3.095 20 0 BGADLO c1nc([C@@H]2CCC[N@@H+]2[C@@H]2C=CCCCCC2)no1 ZINC000549801148 388591918 /nfs/dbraw/zinc/59/19/18/388591918.db2.gz PCTNHBNMAVNUBA-OLZOCXBDSA-N 1 2 247.342 3.095 20 0 BGADLO c1nc([C@H]2CCC[N@H+]2[C@H]2C=CCCCCC2)no1 ZINC000549801150 388591299 /nfs/dbraw/zinc/59/12/99/388591299.db2.gz PCTNHBNMAVNUBA-QWHCGFSZSA-N 1 2 247.342 3.095 20 0 BGADLO c1nc([C@H]2CCC[N@@H+]2[C@H]2C=CCCCCC2)no1 ZINC000549801150 388591295 /nfs/dbraw/zinc/59/12/95/388591295.db2.gz PCTNHBNMAVNUBA-QWHCGFSZSA-N 1 2 247.342 3.095 20 0 BGADLO c1nc([C@@H]2CCC[N@H+]2[C@H]2C=CCCCCC2)no1 ZINC000549801151 388591361 /nfs/dbraw/zinc/59/13/61/388591361.db2.gz PCTNHBNMAVNUBA-STQMWFEESA-N 1 2 247.342 3.095 20 0 BGADLO c1nc([C@@H]2CCC[N@@H+]2[C@H]2C=CCCCCC2)no1 ZINC000549801151 388591360 /nfs/dbraw/zinc/59/13/60/388591360.db2.gz PCTNHBNMAVNUBA-STQMWFEESA-N 1 2 247.342 3.095 20 0 BGADLO C[N@@H+](CC(F)F)[C@H]1C=CCCCCC1 ZINC000549806527 388591609 /nfs/dbraw/zinc/59/16/09/388591609.db2.gz OQEMEGRPSFKHSU-JTQLQIEISA-N 1 2 203.276 3.072 20 0 BGADLO C[N@H+](CC(F)F)[C@H]1C=CCCCCC1 ZINC000549806527 388591608 /nfs/dbraw/zinc/59/16/08/388591608.db2.gz OQEMEGRPSFKHSU-JTQLQIEISA-N 1 2 203.276 3.072 20 0 BGADLO C[N@@H+](CC(F)F)[C@@H]1C=CCCCCC1 ZINC000549806528 388591672 /nfs/dbraw/zinc/59/16/72/388591672.db2.gz OQEMEGRPSFKHSU-SNVBAGLBSA-N 1 2 203.276 3.072 20 0 BGADLO C[N@H+](CC(F)F)[C@@H]1C=CCCCCC1 ZINC000549806528 388591670 /nfs/dbraw/zinc/59/16/70/388591670.db2.gz OQEMEGRPSFKHSU-SNVBAGLBSA-N 1 2 203.276 3.072 20 0 BGADLO CC(C)Oc1ccc(C[NH2+]CC(C)(F)F)cc1 ZINC000549862965 388593353 /nfs/dbraw/zinc/59/33/53/388593353.db2.gz JSEDPSOIUBNHPL-UHFFFAOYSA-N 1 2 243.297 3.219 20 0 BGADLO CC(F)(F)C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000549862980 325517588 /nfs/dbraw/zinc/51/75/88/325517588.db2.gz KOJKIUPXFSBPFI-UHFFFAOYSA-N 1 2 239.309 3.310 20 0 BGADLO CC(F)(F)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000549863853 325517593 /nfs/dbraw/zinc/51/75/93/325517593.db2.gz HAGHOQVVKQQEDZ-UHFFFAOYSA-N 1 2 242.244 3.052 20 0 BGADLO CCc1cc(OC)ccc1C[NH2+]CC(C)(F)F ZINC000550256139 325526992 /nfs/dbraw/zinc/52/69/92/325526992.db2.gz RDKARCNWPHQDII-UHFFFAOYSA-N 1 2 243.297 3.002 20 0 BGADLO CC(C)CCn1cccc1C[NH2+]CC(C)(F)F ZINC000550261592 388603285 /nfs/dbraw/zinc/60/32/85/388603285.db2.gz NXXVNBQPVLWOPB-UHFFFAOYSA-N 1 2 244.329 3.279 20 0 BGADLO CC(C)=CC[N@H+](C)Cc1c(F)cccc1F ZINC000550333289 388606457 /nfs/dbraw/zinc/60/64/57/388606457.db2.gz XGGIATLHOWBWND-UHFFFAOYSA-N 1 2 225.282 3.363 20 0 BGADLO CC(C)=CC[N@@H+](C)Cc1c(F)cccc1F ZINC000550333289 388606456 /nfs/dbraw/zinc/60/64/56/388606456.db2.gz XGGIATLHOWBWND-UHFFFAOYSA-N 1 2 225.282 3.363 20 0 BGADLO C[C@H](c1ccccc1)[N@H+]1Cc2cccnc2C1 ZINC000550652574 388612691 /nfs/dbraw/zinc/61/26/91/388612691.db2.gz MPZLBSINLBZFSJ-GFCCVEGCSA-N 1 2 224.307 3.158 20 0 BGADLO C[C@H](c1ccccc1)[N@@H+]1Cc2cccnc2C1 ZINC000550652574 388612688 /nfs/dbraw/zinc/61/26/88/388612688.db2.gz MPZLBSINLBZFSJ-GFCCVEGCSA-N 1 2 224.307 3.158 20 0 BGADLO C[C@@H](c1ccccc1)[N@H+]1Cc2cccnc2C1 ZINC000550652575 388612582 /nfs/dbraw/zinc/61/25/82/388612582.db2.gz MPZLBSINLBZFSJ-LBPRGKRZSA-N 1 2 224.307 3.158 20 0 BGADLO C[C@@H](c1ccccc1)[N@@H+]1Cc2cccnc2C1 ZINC000550652575 388612579 /nfs/dbraw/zinc/61/25/79/388612579.db2.gz MPZLBSINLBZFSJ-LBPRGKRZSA-N 1 2 224.307 3.158 20 0 BGADLO C[C@H](c1cccc(F)c1)[N@H+]1Cc2cccnc2C1 ZINC000550653852 388612079 /nfs/dbraw/zinc/61/20/79/388612079.db2.gz PAXZQBWGQUUYGU-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H](c1cccc(F)c1)[N@@H+]1Cc2cccnc2C1 ZINC000550653852 388612078 /nfs/dbraw/zinc/61/20/78/388612078.db2.gz PAXZQBWGQUUYGU-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1cccc(F)c1)[N@H+]1Cc2cccnc2C1 ZINC000550653853 388612904 /nfs/dbraw/zinc/61/29/04/388612904.db2.gz PAXZQBWGQUUYGU-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1cccc(F)c1)[N@@H+]1Cc2cccnc2C1 ZINC000550653853 388612901 /nfs/dbraw/zinc/61/29/01/388612901.db2.gz PAXZQBWGQUUYGU-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000550860309 325541384 /nfs/dbraw/zinc/54/13/84/325541384.db2.gz JAWYIBWSSUWXRB-GFCCVEGCSA-N 1 2 240.297 3.178 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000550860310 325541501 /nfs/dbraw/zinc/54/15/01/325541501.db2.gz JAWYIBWSSUWXRB-LBPRGKRZSA-N 1 2 240.297 3.178 20 0 BGADLO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC(C)(F)F ZINC000550875839 388616294 /nfs/dbraw/zinc/61/62/94/388616294.db2.gz XACGPOQRIZNMGZ-PELKAZGASA-N 1 2 243.272 3.304 20 0 BGADLO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC(C)(F)F ZINC000550875840 325541833 /nfs/dbraw/zinc/54/18/33/325541833.db2.gz XACGPOQRIZNMGZ-PRHODGIISA-N 1 2 243.272 3.304 20 0 BGADLO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CC(C)(F)F ZINC000550875841 325541738 /nfs/dbraw/zinc/54/17/38/325541738.db2.gz XACGPOQRIZNMGZ-QPUJVOFHSA-N 1 2 243.272 3.304 20 0 BGADLO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CC(C)(F)F ZINC000550875842 388616156 /nfs/dbraw/zinc/61/61/56/388616156.db2.gz XACGPOQRIZNMGZ-UFBFGSQYSA-N 1 2 243.272 3.304 20 0 BGADLO CC[C@@H]([NH2+]CC(C)(F)F)c1cccc(OC)c1 ZINC000550882371 388616374 /nfs/dbraw/zinc/61/63/74/388616374.db2.gz MNSSNIOWQMITPY-GFCCVEGCSA-N 1 2 243.297 3.391 20 0 BGADLO CC[C@H]([NH2+]CC(C)(F)F)c1cccc(OC)c1 ZINC000550882375 388616459 /nfs/dbraw/zinc/61/64/59/388616459.db2.gz MNSSNIOWQMITPY-LBPRGKRZSA-N 1 2 243.297 3.391 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1ccccc1N(C)C ZINC000550882836 388616173 /nfs/dbraw/zinc/61/61/73/388616173.db2.gz PVLPGBYHIUJQKE-JTQLQIEISA-N 1 2 242.313 3.058 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccccc1N(C)C ZINC000550882841 388616304 /nfs/dbraw/zinc/61/63/04/388616304.db2.gz PVLPGBYHIUJQKE-SNVBAGLBSA-N 1 2 242.313 3.058 20 0 BGADLO Cc1cc(C[N@H+]2Cc3cccnc3C2)c(C)s1 ZINC000551039771 388619628 /nfs/dbraw/zinc/61/96/28/388619628.db2.gz UKVRKGLOASPHEP-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO Cc1cc(C[N@@H+]2Cc3cccnc3C2)c(C)s1 ZINC000551039771 388619625 /nfs/dbraw/zinc/61/96/25/388619625.db2.gz UKVRKGLOASPHEP-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO CC(F)(F)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000551240633 388623982 /nfs/dbraw/zinc/62/39/82/388623982.db2.gz DKMGJUAZQDYBRL-GFCCVEGCSA-N 1 2 240.297 3.168 20 0 BGADLO CC(F)(F)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000551240634 388623509 /nfs/dbraw/zinc/62/35/09/388623509.db2.gz DKMGJUAZQDYBRL-LBPRGKRZSA-N 1 2 240.297 3.168 20 0 BGADLO CC(C)[C@@H]([NH2+]CC(C)(F)F)c1ccc(F)cn1 ZINC000551240719 388623708 /nfs/dbraw/zinc/62/37/08/388623708.db2.gz GKYKVQOCKKVLRB-LLVKDONJSA-N 1 2 246.276 3.163 20 0 BGADLO CC(C)[C@H]([NH2+]CC(C)(F)F)c1ccc(F)cn1 ZINC000551240720 388623392 /nfs/dbraw/zinc/62/33/92/388623392.db2.gz GKYKVQOCKKVLRB-NSHDSACASA-N 1 2 246.276 3.163 20 0 BGADLO Cc1c([C@@H](C)[NH2+]CC(C)(F)F)cnn1C(C)C ZINC000551255304 388624400 /nfs/dbraw/zinc/62/44/00/388624400.db2.gz PEVOYSMWPISMIE-SECBINFHSA-N 1 2 245.317 3.078 20 0 BGADLO Cc1c([C@H](C)[NH2+]CC(C)(F)F)cnn1C(C)C ZINC000551255305 388624234 /nfs/dbraw/zinc/62/42/34/388624234.db2.gz PEVOYSMWPISMIE-VIFPVBQESA-N 1 2 245.317 3.078 20 0 BGADLO Cc1ccccc1C1CC(Nc2c[nH]c[nH+]2)C1 ZINC000551329013 388627006 /nfs/dbraw/zinc/62/70/06/388627006.db2.gz XVMFMEBRWZAHPB-UHFFFAOYSA-N 1 2 227.311 3.076 20 0 BGADLO FCCCCCOc1ccccc1-n1cc[nH+]c1 ZINC000551364883 388628431 /nfs/dbraw/zinc/62/84/31/388628431.db2.gz BXYPOEVUOPEOID-UHFFFAOYSA-N 1 2 248.301 3.391 20 0 BGADLO CCC1CC([NH2+]c2ccc(-n3cccn3)cc2)C1 ZINC000551529810 325560067 /nfs/dbraw/zinc/56/00/67/325560067.db2.gz JPRMSJQQMQAPEC-UHFFFAOYSA-N 1 2 241.338 3.473 20 0 BGADLO CCC1CC(Nc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000551788618 325569600 /nfs/dbraw/zinc/56/96/00/325569600.db2.gz JGAZIJMBOZNVBM-UHFFFAOYSA-N 1 2 241.338 3.473 20 0 BGADLO CCC1CC(Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000551788666 388641546 /nfs/dbraw/zinc/64/15/46/388641546.db2.gz DXEISVJJNMNUKW-UHFFFAOYSA-N 1 2 245.370 3.282 20 0 BGADLO Cc1cc(NC(=O)C(C)(C)C(C)(C)C)c(C)c[nH+]1 ZINC000551898063 325573427 /nfs/dbraw/zinc/57/34/27/325573427.db2.gz ZWTZXEDXVPGYTN-UHFFFAOYSA-N 1 2 248.370 3.131 20 0 BGADLO FCCCCOc1ccccc1-n1cc[nH+]c1 ZINC000551924537 388647399 /nfs/dbraw/zinc/64/73/99/388647399.db2.gz AMQFOBJVFRRGEV-UHFFFAOYSA-N 1 2 234.274 3.001 20 0 BGADLO CC[C@H]([NH2+][C@H]1CC=C(C)CC1)C(F)(F)F ZINC000552021532 325587776 /nfs/dbraw/zinc/58/77/76/325587776.db2.gz XXPCHDSYAMYOKS-UWVGGRQHSA-N 1 2 221.266 3.416 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CC=C(C)CC1)C(F)(F)F ZINC000552021533 388660663 /nfs/dbraw/zinc/66/06/63/388660663.db2.gz XXPCHDSYAMYOKS-ZJUUUORDSA-N 1 2 221.266 3.416 20 0 BGADLO c1[nH]cc(N[C@@H]2CCCCC23CCCC3)[nH+]1 ZINC000552029133 325588745 /nfs/dbraw/zinc/58/87/45/325588745.db2.gz ITULHWSKVXDGIO-LLVKDONJSA-N 1 2 219.332 3.325 20 0 BGADLO c1[nH]cc(N[C@H]2CCCCC23CCCC3)[nH+]1 ZINC000552029134 325588961 /nfs/dbraw/zinc/58/89/61/325588961.db2.gz ITULHWSKVXDGIO-NSHDSACASA-N 1 2 219.332 3.325 20 0 BGADLO CSCc1cccc(N[C@@H](C)c2[nH]cc[nH+]2)c1 ZINC000552066406 388666662 /nfs/dbraw/zinc/66/66/62/388666662.db2.gz ISBQDYYDTUXUFL-JTQLQIEISA-N 1 2 247.367 3.446 20 0 BGADLO CSCc1cccc(N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000552066407 325593545 /nfs/dbraw/zinc/59/35/45/325593545.db2.gz ISBQDYYDTUXUFL-SNVBAGLBSA-N 1 2 247.367 3.446 20 0 BGADLO CC1=CC[C@@H](Nc2ccc[nH+]c2C)CC1 ZINC000552151712 388674339 /nfs/dbraw/zinc/67/43/39/388674339.db2.gz WWSQFPSNUZDSNV-GFCCVEGCSA-N 1 2 202.301 3.301 20 0 BGADLO CC1=CC[C@H](Nc2ccc[nH+]c2C)CC1 ZINC000552151713 388674599 /nfs/dbraw/zinc/67/45/99/388674599.db2.gz WWSQFPSNUZDSNV-LBPRGKRZSA-N 1 2 202.301 3.301 20 0 BGADLO Clc1ccccc1C1CC(Nc2c[nH]c[nH+]2)C1 ZINC000552214796 388682282 /nfs/dbraw/zinc/68/22/82/388682282.db2.gz KYTOGBCOXDPMCE-UHFFFAOYSA-N 1 2 247.729 3.421 20 0 BGADLO c1[nH]cc(NCc2ccc(C3CCC3)cc2)[nH+]1 ZINC000552214968 490190116 /nfs/dbraw/zinc/19/01/16/490190116.db2.gz ZUTGGFASVMCRFT-UHFFFAOYSA-N 1 2 227.311 3.289 20 0 BGADLO CC1=CC[C@@H]([NH2+][C@H](C2CC2)C(F)(F)F)CC1 ZINC000552256467 325615174 /nfs/dbraw/zinc/61/51/74/325615174.db2.gz MFSUFBQZJMCNAF-GHMZBOCLSA-N 1 2 233.277 3.416 20 0 BGADLO CC1=CC[C@@H]([NH2+][C@@H](C2CC2)C(F)(F)F)CC1 ZINC000552256468 388686685 /nfs/dbraw/zinc/68/66/85/388686685.db2.gz MFSUFBQZJMCNAF-MNOVXSKESA-N 1 2 233.277 3.416 20 0 BGADLO CC1=CC[C@H]([NH2+][C@@H](C2CC2)C(F)(F)F)CC1 ZINC000552256469 325615191 /nfs/dbraw/zinc/61/51/91/325615191.db2.gz MFSUFBQZJMCNAF-QWRGUYRKSA-N 1 2 233.277 3.416 20 0 BGADLO CC1=CC[C@H]([NH2+][C@H](C2CC2)C(F)(F)F)CC1 ZINC000552256470 388686660 /nfs/dbraw/zinc/68/66/60/388686660.db2.gz MFSUFBQZJMCNAF-WDEREUQCSA-N 1 2 233.277 3.416 20 0 BGADLO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000552384720 388700008 /nfs/dbraw/zinc/70/00/08/388700008.db2.gz NQNDFANSEBHLBL-GHMZBOCLSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000552384721 388699491 /nfs/dbraw/zinc/69/94/91/388699491.db2.gz NQNDFANSEBHLBL-MNOVXSKESA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000552384722 325628719 /nfs/dbraw/zinc/62/87/19/325628719.db2.gz NQNDFANSEBHLBL-QWRGUYRKSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000552384723 388699257 /nfs/dbraw/zinc/69/92/57/388699257.db2.gz NQNDFANSEBHLBL-WDEREUQCSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1cc(NC(=O)CCCCC(C)(C)C)cc[nH+]1 ZINC000552992960 388744063 /nfs/dbraw/zinc/74/40/63/388744063.db2.gz HMFXJSNCECTNFX-UHFFFAOYSA-N 1 2 248.370 3.357 20 0 BGADLO Cc1ccc2oc(C[NH2+]Cc3cocn3)cc2c1 ZINC000553485280 325693379 /nfs/dbraw/zinc/69/33/79/325693379.db2.gz HUWKRHYYWWZDNM-UHFFFAOYSA-N 1 2 242.278 3.019 20 0 BGADLO FC1(F)CC[N@@H+](CCC2CCCCC2)C1 ZINC000554072586 388797757 /nfs/dbraw/zinc/79/77/57/388797757.db2.gz GUIQVAOGQHGCCT-UHFFFAOYSA-N 1 2 217.303 3.298 20 0 BGADLO FC1(F)CC[N@H+](CCC2CCCCC2)C1 ZINC000554072586 388797752 /nfs/dbraw/zinc/79/77/52/388797752.db2.gz GUIQVAOGQHGCCT-UHFFFAOYSA-N 1 2 217.303 3.298 20 0 BGADLO Cc1cc(N(C)[C@H](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000554164326 388802670 /nfs/dbraw/zinc/80/26/70/388802670.db2.gz YURGBHOIDLHCCA-LLVKDONJSA-N 1 2 233.359 3.143 20 0 BGADLO Cc1cc(N(C)[C@@H](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000554164328 388802901 /nfs/dbraw/zinc/80/29/01/388802901.db2.gz YURGBHOIDLHCCA-NSHDSACASA-N 1 2 233.359 3.143 20 0 BGADLO COc1ccc[nH+]c1N[C@@H]1CCc2ccccc21 ZINC000554263183 388806792 /nfs/dbraw/zinc/80/67/92/388806792.db2.gz GXWOJPJMNDUQKW-CYBMUJFWSA-N 1 2 240.306 3.190 20 0 BGADLO Cc1nc(N2CCCC2(C)C)c2c([nH+]1)CCCC2 ZINC000554639016 325731826 /nfs/dbraw/zinc/73/18/26/325731826.db2.gz LPKNPPOHYZEEOE-UHFFFAOYSA-N 1 2 245.370 3.043 20 0 BGADLO COc1ccc[nH+]c1N[C@H]1CC[C@@H]1C1CCC1 ZINC000554718395 388828989 /nfs/dbraw/zinc/82/89/89/388828989.db2.gz WZKSHRFVDMNMIT-NEPJUHHUSA-N 1 2 232.327 3.081 20 0 BGADLO COc1ccc[nH+]c1N[C@@H]1CC[C@H]1C1CCC1 ZINC000554718396 384853792 /nfs/dbraw/zinc/85/37/92/384853792.db2.gz WZKSHRFVDMNMIT-NWDGAFQWSA-N 1 2 232.327 3.081 20 0 BGADLO COc1ccc[nH+]c1N[C@H]1CC[C@H]1C1CCC1 ZINC000554718399 384853608 /nfs/dbraw/zinc/85/36/08/384853608.db2.gz WZKSHRFVDMNMIT-RYUDHWBXSA-N 1 2 232.327 3.081 20 0 BGADLO COc1ccc[nH+]c1N[C@@H]1CC[C@@H]1C1CCC1 ZINC000554718400 322975320 /nfs/dbraw/zinc/97/53/20/322975320.db2.gz WZKSHRFVDMNMIT-VXGBXAGGSA-N 1 2 232.327 3.081 20 0 BGADLO Cc1ccc(F)cc1C[NH+]1CC(C(F)(F)F)C1 ZINC000554851185 384867446 /nfs/dbraw/zinc/86/74/46/384867446.db2.gz ADVDXFBJYYZPJQ-UHFFFAOYSA-N 1 2 247.235 3.128 20 0 BGADLO c1ccc2c(c1)CCCC[N@@H+]2C[C@@H]1CCCOC1 ZINC000554863603 388834560 /nfs/dbraw/zinc/83/45/60/388834560.db2.gz GXUTUZZENUUNJX-AWEZNQCLSA-N 1 2 245.366 3.256 20 0 BGADLO c1ccc2c(c1)CCCC[N@H+]2C[C@@H]1CCCOC1 ZINC000554863603 388834559 /nfs/dbraw/zinc/83/45/59/388834559.db2.gz GXUTUZZENUUNJX-AWEZNQCLSA-N 1 2 245.366 3.256 20 0 BGADLO c1ccc2c(c1)CCCC[N@@H+]2C[C@H]1CCCOC1 ZINC000554863604 388834861 /nfs/dbraw/zinc/83/48/61/388834861.db2.gz GXUTUZZENUUNJX-CQSZACIVSA-N 1 2 245.366 3.256 20 0 BGADLO c1ccc2c(c1)CCCC[N@H+]2C[C@H]1CCCOC1 ZINC000554863604 388834858 /nfs/dbraw/zinc/83/48/58/388834858.db2.gz GXUTUZZENUUNJX-CQSZACIVSA-N 1 2 245.366 3.256 20 0 BGADLO C[C@@H](Cc1ccsc1)[N@H+]1CCC[C@@H]1C(F)F ZINC000554878477 388834396 /nfs/dbraw/zinc/83/43/96/388834396.db2.gz UFEBZILVPQLWTF-GXSJLCMTSA-N 1 2 245.338 3.409 20 0 BGADLO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H]1C(F)F ZINC000554878477 388834394 /nfs/dbraw/zinc/83/43/94/388834394.db2.gz UFEBZILVPQLWTF-GXSJLCMTSA-N 1 2 245.338 3.409 20 0 BGADLO C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H]1C(F)F ZINC000554878478 388835084 /nfs/dbraw/zinc/83/50/84/388835084.db2.gz UFEBZILVPQLWTF-MWLCHTKSSA-N 1 2 245.338 3.409 20 0 BGADLO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H]1C(F)F ZINC000554878478 388835082 /nfs/dbraw/zinc/83/50/82/388835082.db2.gz UFEBZILVPQLWTF-MWLCHTKSSA-N 1 2 245.338 3.409 20 0 BGADLO CC(=O)CSCc1ccc(C(C)C)[nH+]c1C ZINC000555036416 325743452 /nfs/dbraw/zinc/74/34/52/325743452.db2.gz JVXJFSYTBNVHKE-UHFFFAOYSA-N 1 2 237.368 3.336 20 0 BGADLO c1[nH]cc(NCc2ccc3ccccc3c2)[nH+]1 ZINC000555104674 325747075 /nfs/dbraw/zinc/74/70/75/325747075.db2.gz PPRPULCWOKNTGF-UHFFFAOYSA-N 1 2 223.279 3.175 20 0 BGADLO CC(C)[C@@H](CNc1c[nH]c[nH+]1)c1ccccc1 ZINC000555105026 325747023 /nfs/dbraw/zinc/74/70/23/325747023.db2.gz ZKGSFKRPECXOEN-CYBMUJFWSA-N 1 2 229.327 3.261 20 0 BGADLO CC(C)[C@H](CNc1c[nH]c[nH+]1)c1ccccc1 ZINC000555105027 487770499 /nfs/dbraw/zinc/77/04/99/487770499.db2.gz ZKGSFKRPECXOEN-ZDUSSCGKSA-N 1 2 229.327 3.261 20 0 BGADLO CC(F)(F)CNc1[nH+]ccc2ccc(F)cc21 ZINC000555203944 388842655 /nfs/dbraw/zinc/84/26/55/388842655.db2.gz IFNPVNSCPHQYGM-UHFFFAOYSA-N 1 2 240.228 3.441 20 0 BGADLO CC1C[NH+](Cc2c(Cl)cccc2Cl)C1 ZINC000555340664 325754183 /nfs/dbraw/zinc/75/41/83/325754183.db2.gz LPFDVLSCRUHCSV-UHFFFAOYSA-N 1 2 230.138 3.445 20 0 BGADLO FC1(F)CC[N@H+]([C@@H]2C=CCCCCC2)C1 ZINC000555421786 388850732 /nfs/dbraw/zinc/85/07/32/388850732.db2.gz MGLJCINUUNOTGZ-LLVKDONJSA-N 1 2 215.287 3.216 20 0 BGADLO FC1(F)CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000555421786 388850731 /nfs/dbraw/zinc/85/07/31/388850731.db2.gz MGLJCINUUNOTGZ-LLVKDONJSA-N 1 2 215.287 3.216 20 0 BGADLO FC1(F)CC[N@H+]([C@H]2C=CCCCCC2)C1 ZINC000555421787 388850255 /nfs/dbraw/zinc/85/02/55/388850255.db2.gz MGLJCINUUNOTGZ-NSHDSACASA-N 1 2 215.287 3.216 20 0 BGADLO FC1(F)CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000555421787 388850253 /nfs/dbraw/zinc/85/02/53/388850253.db2.gz MGLJCINUUNOTGZ-NSHDSACASA-N 1 2 215.287 3.216 20 0 BGADLO CC(F)(F)C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000555609347 388856913 /nfs/dbraw/zinc/85/69/13/388856913.db2.gz ROAILYLTOQVEAU-UHFFFAOYSA-N 1 2 243.228 3.317 20 0 BGADLO Cc1cc(C)cc(C[N@H+]2Cc3cccnc3C2)c1 ZINC000556088607 388867188 /nfs/dbraw/zinc/86/71/88/388867188.db2.gz LKWZXRIIYOWJAV-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO Cc1cc(C)cc(C[N@@H+]2Cc3cccnc3C2)c1 ZINC000556088607 388867187 /nfs/dbraw/zinc/86/71/87/388867187.db2.gz LKWZXRIIYOWJAV-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO Cc1ccc(F)cc1C[N@H+]1Cc2cccnc2C1 ZINC000556089075 388866507 /nfs/dbraw/zinc/86/65/07/388866507.db2.gz UVTZBVHFNZOMOB-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1ccc(F)cc1C[N@@H+]1Cc2cccnc2C1 ZINC000556089075 388866503 /nfs/dbraw/zinc/86/65/03/388866503.db2.gz UVTZBVHFNZOMOB-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO COc1cc([C@@H](C)[NH2+]CC(C)(F)F)ccc1F ZINC000556225539 388872283 /nfs/dbraw/zinc/87/22/83/388872283.db2.gz WYJQIACMSONYCF-MRVPVSSYSA-N 1 2 247.260 3.140 20 0 BGADLO COc1cc([C@H](C)[NH2+]CC(C)(F)F)ccc1F ZINC000556225541 388872092 /nfs/dbraw/zinc/87/20/92/388872092.db2.gz WYJQIACMSONYCF-QMMMGPOBSA-N 1 2 247.260 3.140 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1C[C@@H](F)[C@@H](F)C1 ZINC000556242521 325786992 /nfs/dbraw/zinc/78/69/92/325786992.db2.gz WPKDEQXNSRIMBT-TXEJJXNPSA-N 1 2 248.276 3.039 20 0 BGADLO CC(C)c1nc(NC2CCCCCC2)cc[nH+]1 ZINC000557325293 384911572 /nfs/dbraw/zinc/91/15/72/384911572.db2.gz SIBOMPCTDSUQIZ-UHFFFAOYSA-N 1 2 233.359 3.157 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CC=C(C)CC2)c1 ZINC000557387419 384923564 /nfs/dbraw/zinc/92/35/64/384923564.db2.gz OIGJIJRZABXRNV-GFCCVEGCSA-N 1 2 202.301 3.301 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CC=C(C)CC2)c1 ZINC000557387431 384924762 /nfs/dbraw/zinc/92/47/62/384924762.db2.gz OIGJIJRZABXRNV-LBPRGKRZSA-N 1 2 202.301 3.301 20 0 BGADLO CO[C@H](C)CN(C)c1[nH+]c2ccccc2cc1C ZINC000557729134 385106595 /nfs/dbraw/zinc/10/65/95/385106595.db2.gz PJTIZGMQJGRQSS-GFCCVEGCSA-N 1 2 244.338 3.014 20 0 BGADLO CO[C@@H](C)CN(C)c1[nH+]c2ccccc2cc1C ZINC000557729135 385105924 /nfs/dbraw/zinc/10/59/24/385105924.db2.gz PJTIZGMQJGRQSS-LBPRGKRZSA-N 1 2 244.338 3.014 20 0 BGADLO CC[C@H]1CC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000558258056 383888648 /nfs/dbraw/zinc/88/86/48/383888648.db2.gz OTAKZALTYDUNTH-GXTWGEPZSA-N 1 2 245.370 3.282 20 0 BGADLO CC[C@H]1CC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000558258059 322948256 /nfs/dbraw/zinc/94/82/56/322948256.db2.gz OTAKZALTYDUNTH-JSGCOSHPSA-N 1 2 245.370 3.282 20 0 BGADLO CC[C@@H]1CC[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000558258060 383888684 /nfs/dbraw/zinc/88/86/84/383888684.db2.gz OTAKZALTYDUNTH-OCCSQVGLSA-N 1 2 245.370 3.282 20 0 BGADLO CC[C@@H]1CC[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000558258062 322948198 /nfs/dbraw/zinc/94/81/98/322948198.db2.gz OTAKZALTYDUNTH-TZMCWYRMSA-N 1 2 245.370 3.282 20 0 BGADLO CCc1cc(C[NH2+][C@@H](C)c2cc(C)c(C)o2)on1 ZINC000558621243 491122128 /nfs/dbraw/zinc/12/21/28/491122128.db2.gz XGFYGCFDUIKWIR-JTQLQIEISA-N 1 2 248.326 3.298 20 0 BGADLO CCc1cc(C[NH2+][C@H](C)c2cc(C)c(C)o2)on1 ZINC000558621247 491122187 /nfs/dbraw/zinc/12/21/87/491122187.db2.gz XGFYGCFDUIKWIR-SNVBAGLBSA-N 1 2 248.326 3.298 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CCC[C@@H]1CF ZINC000558982449 344099136 /nfs/dbraw/zinc/09/91/36/344099136.db2.gz OLUMQDYPGMCKAG-CYBMUJFWSA-N 1 2 244.313 3.482 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CCC[C@H]1CF ZINC000558982450 344099156 /nfs/dbraw/zinc/09/91/56/344099156.db2.gz OLUMQDYPGMCKAG-ZDUSSCGKSA-N 1 2 244.313 3.482 20 0 BGADLO C[C@@H](C[N@@H+](C)CC(F)F)C1CCCCC1 ZINC000559070103 384513903 /nfs/dbraw/zinc/51/39/03/384513903.db2.gz MDSWSXZVBWNYMN-JTQLQIEISA-N 1 2 219.319 3.400 20 0 BGADLO C[C@@H](C[N@H+](C)CC(F)F)C1CCCCC1 ZINC000559070103 384513897 /nfs/dbraw/zinc/51/38/97/384513897.db2.gz MDSWSXZVBWNYMN-JTQLQIEISA-N 1 2 219.319 3.400 20 0 BGADLO C[C@H](C[N@@H+](C)CC(F)F)C1CCCCC1 ZINC000559070106 384514127 /nfs/dbraw/zinc/51/41/27/384514127.db2.gz MDSWSXZVBWNYMN-SNVBAGLBSA-N 1 2 219.319 3.400 20 0 BGADLO C[C@H](C[N@H+](C)CC(F)F)C1CCCCC1 ZINC000559070106 384514124 /nfs/dbraw/zinc/51/41/24/384514124.db2.gz MDSWSXZVBWNYMN-SNVBAGLBSA-N 1 2 219.319 3.400 20 0 BGADLO CC1C[NH+](Cc2cc(Cl)ccc2Cl)C1 ZINC000559072329 398264054 /nfs/dbraw/zinc/26/40/54/398264054.db2.gz DXOQYYGCIOWECQ-UHFFFAOYSA-N 1 2 230.138 3.445 20 0 BGADLO CC1C[NH+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000559073341 398263928 /nfs/dbraw/zinc/26/39/28/398263928.db2.gz VMICJJGVOARBHM-UHFFFAOYSA-N 1 2 230.138 3.445 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000559877334 322980660 /nfs/dbraw/zinc/98/06/60/322980660.db2.gz FGPLOYQXLFEGSR-LLVKDONJSA-N 1 2 241.281 3.014 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000559877335 385212165 /nfs/dbraw/zinc/21/21/65/385212165.db2.gz FGPLOYQXLFEGSR-NSHDSACASA-N 1 2 241.281 3.014 20 0 BGADLO CC[C@@H]([NH2+]CC(C)(F)F)c1ccc(OC)cc1 ZINC000559880034 322980514 /nfs/dbraw/zinc/98/05/14/322980514.db2.gz ZQEVJCOXDBQVNI-GFCCVEGCSA-N 1 2 243.297 3.391 20 0 BGADLO CC[C@H]([NH2+]CC(C)(F)F)c1ccc(OC)cc1 ZINC000559880035 322980520 /nfs/dbraw/zinc/98/05/20/322980520.db2.gz ZQEVJCOXDBQVNI-LBPRGKRZSA-N 1 2 243.297 3.391 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000559887039 385215308 /nfs/dbraw/zinc/21/53/08/385215308.db2.gz QFKZVSZLMNVNHE-GFCCVEGCSA-N 1 2 243.272 3.448 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000559887040 385216126 /nfs/dbraw/zinc/21/61/26/385216126.db2.gz QFKZVSZLMNVNHE-LBPRGKRZSA-N 1 2 243.272 3.448 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000559890827 322980745 /nfs/dbraw/zinc/98/07/45/322980745.db2.gz INVAJCUKDYUTFM-LLVKDONJSA-N 1 2 241.281 3.145 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000559890828 385218790 /nfs/dbraw/zinc/21/87/90/385218790.db2.gz INVAJCUKDYUTFM-NSHDSACASA-N 1 2 241.281 3.145 20 0 BGADLO c1[nH]cc(N[C@H]2CC[C@@H](Cc3ccccc3)C2)[nH+]1 ZINC000559929107 385230795 /nfs/dbraw/zinc/23/07/95/385230795.db2.gz ISKMQCYNIJAWLL-KBPBESRZSA-N 1 2 241.338 3.233 20 0 BGADLO c1[nH]cc(N[C@H]2CC[C@H](Cc3ccccc3)C2)[nH+]1 ZINC000559929139 385232986 /nfs/dbraw/zinc/23/29/86/385232986.db2.gz ISKMQCYNIJAWLL-KGLIPLIRSA-N 1 2 241.338 3.233 20 0 BGADLO c1[nH]cc(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)[nH+]1 ZINC000559929141 322981312 /nfs/dbraw/zinc/98/13/12/322981312.db2.gz ISKMQCYNIJAWLL-UONOGXRCSA-N 1 2 241.338 3.233 20 0 BGADLO c1[nH]cc(N[C@@H]2CC[C@H](Cc3ccccc3)C2)[nH+]1 ZINC000559929142 385232080 /nfs/dbraw/zinc/23/20/80/385232080.db2.gz ISKMQCYNIJAWLL-ZIAGYGMSSA-N 1 2 241.338 3.233 20 0 BGADLO c1[nH]cc(N[C@H]2CCC[C@H]2Cc2ccccc2)[nH+]1 ZINC000559929312 322981306 /nfs/dbraw/zinc/98/13/06/322981306.db2.gz LMQQTXSTYASKFC-KBPBESRZSA-N 1 2 241.338 3.233 20 0 BGADLO c1[nH]cc(N[C@H]2CCC[C@@H]2Cc2ccccc2)[nH+]1 ZINC000559929313 322981271 /nfs/dbraw/zinc/98/12/71/322981271.db2.gz LMQQTXSTYASKFC-KGLIPLIRSA-N 1 2 241.338 3.233 20 0 BGADLO c1[nH]cc(N[C@@H]2CCC[C@H]2Cc2ccccc2)[nH+]1 ZINC000559929314 385231884 /nfs/dbraw/zinc/23/18/84/385231884.db2.gz LMQQTXSTYASKFC-UONOGXRCSA-N 1 2 241.338 3.233 20 0 BGADLO c1[nH]cc(N[C@@H]2CCC[C@@H]2Cc2ccccc2)[nH+]1 ZINC000559929315 385231055 /nfs/dbraw/zinc/23/10/55/385231055.db2.gz LMQQTXSTYASKFC-ZIAGYGMSSA-N 1 2 241.338 3.233 20 0 BGADLO Cc1ccn(-c2ccc([NH2+]CC3(C)CC3)cc2)n1 ZINC000560071739 383884139 /nfs/dbraw/zinc/88/41/39/383884139.db2.gz QDEDHNLNIFHWGU-UHFFFAOYSA-N 1 2 241.338 3.393 20 0 BGADLO Cc1cc(C[NH2+]Cc2ccc3occc3c2)no1 ZINC000560495311 344743644 /nfs/dbraw/zinc/74/36/44/344743644.db2.gz FATZGTDDLAIAEW-UHFFFAOYSA-N 1 2 242.278 3.019 20 0 BGADLO Cc1cnc(C[NH2+][C@H](C)c2cc(C)ccn2)s1 ZINC000560527524 322989009 /nfs/dbraw/zinc/98/90/09/322989009.db2.gz MEJLSSDDUYGUHB-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cnc(C[NH2+][C@@H](C)c2cc(C)ccn2)s1 ZINC000560527533 322989066 /nfs/dbraw/zinc/98/90/66/322989066.db2.gz MEJLSSDDUYGUHB-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1c[nH+]ccc1NC(=O)CCCCC(C)(C)C ZINC000561132423 384517213 /nfs/dbraw/zinc/51/72/13/384517213.db2.gz VANYTYZFNIAHCA-UHFFFAOYSA-N 1 2 248.370 3.357 20 0 BGADLO COc1cccc2c(N[C@@H]3CC[C@@H]3C)cc[nH+]c12 ZINC000561407688 323001366 /nfs/dbraw/zinc/00/13/66/323001366.db2.gz AZSUIEAWLWXNMD-CMPLNLGQSA-N 1 2 242.322 3.454 20 0 BGADLO COc1cccc2c(N[C@H]3CC[C@@H]3C)cc[nH+]c12 ZINC000561407689 323001352 /nfs/dbraw/zinc/00/13/52/323001352.db2.gz AZSUIEAWLWXNMD-JQWIXIFHSA-N 1 2 242.322 3.454 20 0 BGADLO COc1cccc2c(N[C@H]3CC[C@H]3C)cc[nH+]c12 ZINC000561407690 323001322 /nfs/dbraw/zinc/00/13/22/323001322.db2.gz AZSUIEAWLWXNMD-PWSUYJOCSA-N 1 2 242.322 3.454 20 0 BGADLO COc1cccc2c(N[C@@H]3CC[C@H]3C)cc[nH+]c12 ZINC000561407691 323001296 /nfs/dbraw/zinc/00/12/96/323001296.db2.gz AZSUIEAWLWXNMD-ZYHUDNBSSA-N 1 2 242.322 3.454 20 0 BGADLO FC1(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000561487311 323002836 /nfs/dbraw/zinc/00/28/36/323002836.db2.gz WAXUBOUHDRPNHG-AWEZNQCLSA-N 1 2 237.293 3.059 20 0 BGADLO FC1(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000561487311 323002835 /nfs/dbraw/zinc/00/28/35/323002835.db2.gz WAXUBOUHDRPNHG-AWEZNQCLSA-N 1 2 237.293 3.059 20 0 BGADLO FC1(C[N@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000561487313 323002808 /nfs/dbraw/zinc/00/28/08/323002808.db2.gz WAXUBOUHDRPNHG-CQSZACIVSA-N 1 2 237.293 3.059 20 0 BGADLO FC1(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000561487313 323002807 /nfs/dbraw/zinc/00/28/07/323002807.db2.gz WAXUBOUHDRPNHG-CQSZACIVSA-N 1 2 237.293 3.059 20 0 BGADLO FC(F)(F)C1C[NH+](Cc2cccc(Cl)c2)C1 ZINC000561945384 323009015 /nfs/dbraw/zinc/00/90/15/323009015.db2.gz RDTRFKPTFJYYEW-UHFFFAOYSA-N 1 2 249.663 3.334 20 0 BGADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(-n2cccn2)cc1 ZINC000562079001 323011775 /nfs/dbraw/zinc/01/17/75/323011775.db2.gz BUUCQFGFUMOEAV-DOMZBBRYSA-N 1 2 241.338 3.473 20 0 BGADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(-n2cccn2)cc1 ZINC000562079003 323011728 /nfs/dbraw/zinc/01/17/28/323011728.db2.gz BUUCQFGFUMOEAV-IUODEOHRSA-N 1 2 241.338 3.473 20 0 BGADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(-n2cccn2)cc1 ZINC000562079005 323011738 /nfs/dbraw/zinc/01/17/38/323011738.db2.gz BUUCQFGFUMOEAV-SWLSCSKDSA-N 1 2 241.338 3.473 20 0 BGADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(-n2cccn2)cc1 ZINC000562079007 323011699 /nfs/dbraw/zinc/01/16/99/323011699.db2.gz BUUCQFGFUMOEAV-WFASDCNBSA-N 1 2 241.338 3.473 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NC(C)(C)C(C)C ZINC000562287154 323014993 /nfs/dbraw/zinc/01/49/93/323014993.db2.gz BKLPXUPRBSUEBR-UHFFFAOYSA-N 1 2 249.358 3.255 20 0 BGADLO CC1(C[NH2+]c2ccc(-n3cccn3)cc2)CC1 ZINC000562346509 323017345 /nfs/dbraw/zinc/01/73/45/323017345.db2.gz LRSSHLODPPJROM-UHFFFAOYSA-N 1 2 227.311 3.084 20 0 BGADLO CC1(CNc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000562347309 323017257 /nfs/dbraw/zinc/01/72/57/323017257.db2.gz VIWYSKDRGBNMNN-UHFFFAOYSA-N 1 2 227.311 3.084 20 0 BGADLO CC[N@@H+](Cc1cocn1)Cc1ccc(C)cc1 ZINC000562410942 323019393 /nfs/dbraw/zinc/01/93/93/323019393.db2.gz YLQMUOAJUFSINH-UHFFFAOYSA-N 1 2 230.311 3.005 20 0 BGADLO CC[N@H+](Cc1cocn1)Cc1ccc(C)cc1 ZINC000562410942 323019392 /nfs/dbraw/zinc/01/93/92/323019392.db2.gz YLQMUOAJUFSINH-UHFFFAOYSA-N 1 2 230.311 3.005 20 0 BGADLO FC(F)(F)c1ccccc1CNc1c[nH]c[nH+]1 ZINC000562492455 323021671 /nfs/dbraw/zinc/02/16/71/323021671.db2.gz LHMUGIVOIBHNNR-UHFFFAOYSA-N 1 2 241.216 3.041 20 0 BGADLO Cc1cc(F)ccc1C[N@H+]1Cc2cccnc2C1 ZINC000563023970 323080339 /nfs/dbraw/zinc/08/03/39/323080339.db2.gz TVAYPXMKUGNDKT-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cc(F)ccc1C[N@@H+]1Cc2cccnc2C1 ZINC000563023970 323080338 /nfs/dbraw/zinc/08/03/38/323080338.db2.gz TVAYPXMKUGNDKT-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cccc(CCSCCCF)[nH+]1 ZINC000563140620 323095098 /nfs/dbraw/zinc/09/50/98/323095098.db2.gz AARYYTNULVNLMM-UHFFFAOYSA-N 1 2 213.321 3.025 20 0 BGADLO CC(C)c1ncc(C[N@H+]2CCC[C@H](F)C2)s1 ZINC000563272350 350747906 /nfs/dbraw/zinc/74/79/06/350747906.db2.gz ACUSNNIUTUSJBQ-JTQLQIEISA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1ncc(C[N@@H+]2CCC[C@H](F)C2)s1 ZINC000563272350 350747903 /nfs/dbraw/zinc/74/79/03/350747903.db2.gz ACUSNNIUTUSJBQ-JTQLQIEISA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1ncc(C[N@H+]2CCC[C@@H](F)C2)s1 ZINC000563272351 350748232 /nfs/dbraw/zinc/74/82/32/350748232.db2.gz ACUSNNIUTUSJBQ-SNVBAGLBSA-N 1 2 242.363 3.200 20 0 BGADLO CC(C)c1ncc(C[N@@H+]2CCC[C@@H](F)C2)s1 ZINC000563272351 350748228 /nfs/dbraw/zinc/74/82/28/350748228.db2.gz ACUSNNIUTUSJBQ-SNVBAGLBSA-N 1 2 242.363 3.200 20 0 BGADLO Cc1ccc(F)c(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000563272881 350747664 /nfs/dbraw/zinc/74/76/64/350747664.db2.gz HYIDOJGOZFXITG-GFCCVEGCSA-N 1 2 225.282 3.068 20 0 BGADLO Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000563272881 350747660 /nfs/dbraw/zinc/74/76/60/350747660.db2.gz HYIDOJGOZFXITG-GFCCVEGCSA-N 1 2 225.282 3.068 20 0 BGADLO Cc1ccc(F)c(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000563272882 350747981 /nfs/dbraw/zinc/74/79/81/350747981.db2.gz HYIDOJGOZFXITG-LBPRGKRZSA-N 1 2 225.282 3.068 20 0 BGADLO Cc1ccc(F)c(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000563272882 350747977 /nfs/dbraw/zinc/74/79/77/350747977.db2.gz HYIDOJGOZFXITG-LBPRGKRZSA-N 1 2 225.282 3.068 20 0 BGADLO Cc1cc(C[NH+]2CC(C(F)(F)F)C2)cs1 ZINC000563351128 323120251 /nfs/dbraw/zinc/12/02/51/323120251.db2.gz WXVHJRFYJNXDQY-UHFFFAOYSA-N 1 2 235.274 3.051 20 0 BGADLO COc1ccc([C@H](C)[NH2+]CC(C)(F)F)c(C)c1 ZINC000563360998 323120897 /nfs/dbraw/zinc/12/08/97/323120897.db2.gz OKGALTVMZOFJPP-JTQLQIEISA-N 1 2 243.297 3.309 20 0 BGADLO COc1ccc([C@@H](C)[NH2+]CC(C)(F)F)c(C)c1 ZINC000563360999 491105042 /nfs/dbraw/zinc/10/50/42/491105042.db2.gz OKGALTVMZOFJPP-SNVBAGLBSA-N 1 2 243.297 3.309 20 0 BGADLO CC[C@@]1(C)CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000563420353 323124015 /nfs/dbraw/zinc/12/40/15/323124015.db2.gz QDVCVIBTBLQBIE-AWEZNQCLSA-N 1 2 233.359 3.110 20 0 BGADLO CC[C@]1(C)CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000563420354 323123931 /nfs/dbraw/zinc/12/39/31/323123931.db2.gz QDVCVIBTBLQBIE-CQSZACIVSA-N 1 2 233.359 3.110 20 0 BGADLO Cc1c[nH+]c(C)nc1NC1CCCCCC1 ZINC000563653935 323133788 /nfs/dbraw/zinc/13/37/88/323133788.db2.gz BZEFFKKAYDHOOY-UHFFFAOYSA-N 1 2 219.332 3.228 20 0 BGADLO Cc1cc(F)ccc1C[NH+]1CC(C(F)(F)F)C1 ZINC000563678009 352624932 /nfs/dbraw/zinc/62/49/32/352624932.db2.gz HERYNCPLHVFJIB-UHFFFAOYSA-N 1 2 247.235 3.128 20 0 BGADLO C[C@]1(F)CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000563707088 323174651 /nfs/dbraw/zinc/17/46/51/323174651.db2.gz IFXOONDSBSCTNB-AWEZNQCLSA-N 1 2 248.276 3.312 20 0 BGADLO C[C@@]1(F)CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000563707100 323174667 /nfs/dbraw/zinc/17/46/67/323174667.db2.gz IFXOONDSBSCTNB-CQSZACIVSA-N 1 2 248.276 3.312 20 0 BGADLO Fc1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1Cl ZINC000563726147 323175975 /nfs/dbraw/zinc/17/59/75/323175975.db2.gz XWAKJKJZLSCBPQ-JTQLQIEISA-N 1 2 245.700 3.413 20 0 BGADLO Fc1ccc(C[N@H+]2CCC[C@H](F)C2)cc1Cl ZINC000563726147 323175974 /nfs/dbraw/zinc/17/59/74/323175974.db2.gz XWAKJKJZLSCBPQ-JTQLQIEISA-N 1 2 245.700 3.413 20 0 BGADLO Fc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1Cl ZINC000563726150 323175921 /nfs/dbraw/zinc/17/59/21/323175921.db2.gz XWAKJKJZLSCBPQ-SNVBAGLBSA-N 1 2 245.700 3.413 20 0 BGADLO Fc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1Cl ZINC000563726150 323175920 /nfs/dbraw/zinc/17/59/20/323175920.db2.gz XWAKJKJZLSCBPQ-SNVBAGLBSA-N 1 2 245.700 3.413 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)c2cscn2)cc(C)n1 ZINC000563803966 323178291 /nfs/dbraw/zinc/17/82/91/323178291.db2.gz PEQVDTLWCCFFII-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cc(C[NH2+][C@@H](C)c2cscn2)cc(C)n1 ZINC000563803969 323178349 /nfs/dbraw/zinc/17/83/49/323178349.db2.gz PEQVDTLWCCFFII-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO CSc1ccccc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000563820781 323179223 /nfs/dbraw/zinc/17/92/23/323179223.db2.gz BGNKMQWZAGIOGO-UHFFFAOYSA-N 1 2 247.367 3.361 20 0 BGADLO CCC[C@H](CNc1c[nH]c[nH+]1)c1ccccc1 ZINC000563949820 323330047 /nfs/dbraw/zinc/33/00/47/323330047.db2.gz LEIMXTUOACJHHO-CYBMUJFWSA-N 1 2 229.327 3.406 20 0 BGADLO CCC[C@@H](CNc1c[nH]c[nH+]1)c1ccccc1 ZINC000563949821 323330179 /nfs/dbraw/zinc/33/01/79/323330179.db2.gz LEIMXTUOACJHHO-ZDUSSCGKSA-N 1 2 229.327 3.406 20 0 BGADLO Cc1[nH]c(CNc2cccc(C)c2F)[nH+]c1C ZINC000564100237 358860865 /nfs/dbraw/zinc/86/08/65/358860865.db2.gz CSJFPHLBPNKQGU-UHFFFAOYSA-N 1 2 233.290 3.086 20 0 BGADLO CC1C[NH+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000564473465 325794036 /nfs/dbraw/zinc/79/40/36/325794036.db2.gz JUFSSGRPVDFBKM-UHFFFAOYSA-N 1 2 230.138 3.445 20 0 BGADLO Cc1ccccc1C[N@@H+](Cc1cocn1)C1CC1 ZINC000564519125 388878111 /nfs/dbraw/zinc/87/81/11/388878111.db2.gz GMIZAQPPBZWEFN-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO Cc1ccccc1C[N@H+](Cc1cocn1)C1CC1 ZINC000564519125 388878108 /nfs/dbraw/zinc/87/81/08/388878108.db2.gz GMIZAQPPBZWEFN-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO Fc1cc(F)cc(C2CC(Nc3c[nH]c[nH+]3)C2)c1 ZINC000564537147 353486764 /nfs/dbraw/zinc/48/67/64/353486764.db2.gz PXCRUXUAHVPZKB-UHFFFAOYSA-N 1 2 249.264 3.046 20 0 BGADLO CC[C@@H]([NH2+]CC(C)(F)F)c1ccsc1 ZINC000564633379 325799855 /nfs/dbraw/zinc/79/98/55/325799855.db2.gz FTIMFWHYHKKWBJ-SECBINFHSA-N 1 2 219.300 3.444 20 0 BGADLO CC[C@H]([NH2+]CC(C)(F)F)c1ccsc1 ZINC000564633444 388881950 /nfs/dbraw/zinc/88/19/50/388881950.db2.gz FTIMFWHYHKKWBJ-VIFPVBQESA-N 1 2 219.300 3.444 20 0 BGADLO Cc1c[nH+]c(C)nc1NC1CCC2(CC2)CC1 ZINC000564742484 325806534 /nfs/dbraw/zinc/80/65/34/325806534.db2.gz ZOOLTYCUHHZCOO-UHFFFAOYSA-N 1 2 231.343 3.228 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CC[C@H](C)CC2)c(C)[nH+]1 ZINC000565047698 323006148 /nfs/dbraw/zinc/00/61/48/323006148.db2.gz PANBCONJAGVRLI-MJHDQNEOSA-N 1 2 246.354 3.463 20 0 BGADLO C[N@@H+](CC(F)F)CC12CC3CC(CC(C3)C1)C2 ZINC000565087405 388913381 /nfs/dbraw/zinc/91/33/81/388913381.db2.gz MTIHZZQLZCPMPS-UHFFFAOYSA-N 1 2 243.341 3.400 20 0 BGADLO C[N@H+](CC(F)F)CC12CC3CC(CC(C3)C1)C2 ZINC000565087405 388913378 /nfs/dbraw/zinc/91/33/78/388913378.db2.gz MTIHZZQLZCPMPS-UHFFFAOYSA-N 1 2 243.341 3.400 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@H](F)C2)o1 ZINC000565100535 388915432 /nfs/dbraw/zinc/91/54/32/388915432.db2.gz WBBQMGWGMLITIM-MDZLAQPJSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@H](F)C2)o1 ZINC000565100535 388915430 /nfs/dbraw/zinc/91/54/30/388915430.db2.gz WBBQMGWGMLITIM-MDZLAQPJSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@@H](F)C2)o1 ZINC000565100537 388914872 /nfs/dbraw/zinc/91/48/72/388914872.db2.gz WBBQMGWGMLITIM-NQBHXWOUSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@@H](F)C2)o1 ZINC000565100537 388914870 /nfs/dbraw/zinc/91/48/70/388914870.db2.gz WBBQMGWGMLITIM-NQBHXWOUSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@H](F)C2)o1 ZINC000565100539 388914484 /nfs/dbraw/zinc/91/44/84/388914484.db2.gz WBBQMGWGMLITIM-NTZNESFSSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCC[C@H](F)C2)o1 ZINC000565100539 388914480 /nfs/dbraw/zinc/91/44/80/388914480.db2.gz WBBQMGWGMLITIM-NTZNESFSSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H](F)C2)o1 ZINC000565100540 388915426 /nfs/dbraw/zinc/91/54/26/388915426.db2.gz WBBQMGWGMLITIM-WZRBSPASSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCC[C@@H](F)C2)o1 ZINC000565100540 388915424 /nfs/dbraw/zinc/91/54/24/388915424.db2.gz WBBQMGWGMLITIM-WZRBSPASSA-N 1 2 237.318 3.337 20 0 BGADLO Cc1ccc(CSCCC(C)(C)O)c(C)[nH+]1 ZINC000565217781 388927591 /nfs/dbraw/zinc/92/75/91/388927591.db2.gz UVMCMMNJDBZQTH-UHFFFAOYSA-N 1 2 239.384 3.093 20 0 BGADLO Cc1[nH]c(CNc2ccc3c(c2)CCC3)[nH+]c1C ZINC000565241489 388931004 /nfs/dbraw/zinc/93/10/04/388931004.db2.gz FADRRTPDTHQWRC-UHFFFAOYSA-N 1 2 241.338 3.127 20 0 BGADLO Cc1[nH]c(CNc2cc(C)ccc2C)[nH+]c1C ZINC000565242140 388930394 /nfs/dbraw/zinc/93/03/94/388930394.db2.gz KQEHVNMOSJEFEH-UHFFFAOYSA-N 1 2 229.327 3.255 20 0 BGADLO Cc1[nH]c(CNc2cc(C)cc(F)c2)[nH+]c1C ZINC000565242712 323037832 /nfs/dbraw/zinc/03/78/32/323037832.db2.gz QTLAPKMCWARBRH-UHFFFAOYSA-N 1 2 233.290 3.086 20 0 BGADLO CC(C)(C)c1ccc(CC[NH+]2CC(F)C2)cc1 ZINC000565274356 325889771 /nfs/dbraw/zinc/88/97/71/325889771.db2.gz BFCSWQCQWWSOIV-UHFFFAOYSA-N 1 2 235.346 3.180 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000565317324 388936977 /nfs/dbraw/zinc/93/69/77/388936977.db2.gz IYRSKCJFRFKVSP-GFCCVEGCSA-N 1 2 241.281 3.014 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000565317325 388937983 /nfs/dbraw/zinc/93/79/83/388937983.db2.gz IYRSKCJFRFKVSP-LBPRGKRZSA-N 1 2 241.281 3.014 20 0 BGADLO CCCN(c1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC000565432161 325911448 /nfs/dbraw/zinc/91/14/48/325911448.db2.gz KMUFAPDSTAFHCU-UHFFFAOYSA-N 1 2 233.359 3.287 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C)C2(CCC2)C1 ZINC000565432266 325911223 /nfs/dbraw/zinc/91/12/23/325911223.db2.gz LNSJCDAKFPNIQX-GFCCVEGCSA-N 1 2 245.370 3.110 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C)C2(CCC2)C1 ZINC000565432282 325911474 /nfs/dbraw/zinc/91/14/74/325911474.db2.gz LNSJCDAKFPNIQX-LBPRGKRZSA-N 1 2 245.370 3.110 20 0 BGADLO Clc1ccc([C@H]2CCN2Cc2[nH]cc[nH+]2)cc1 ZINC000565436111 388944118 /nfs/dbraw/zinc/94/41/18/388944118.db2.gz JZRZFYPQSFYKIW-GFCCVEGCSA-N 1 2 247.729 3.010 20 0 BGADLO Clc1ccc([C@@H]2CCN2Cc2[nH]cc[nH+]2)cc1 ZINC000565436115 325911202 /nfs/dbraw/zinc/91/12/02/325911202.db2.gz JZRZFYPQSFYKIW-LBPRGKRZSA-N 1 2 247.729 3.010 20 0 BGADLO CCc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1F ZINC000565492581 388949764 /nfs/dbraw/zinc/94/97/64/388949764.db2.gz VYLIZHXLRMHBPY-UHFFFAOYSA-N 1 2 247.317 3.340 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CCC[C@@H]1c1ccco1 ZINC000565548290 388952555 /nfs/dbraw/zinc/95/25/55/388952555.db2.gz JSSYFMVZOYSMFT-GFCCVEGCSA-N 1 2 243.310 3.028 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CCC[C@H]1c1ccco1 ZINC000565548292 384441793 /nfs/dbraw/zinc/44/17/93/384441793.db2.gz JSSYFMVZOYSMFT-LBPRGKRZSA-N 1 2 243.310 3.028 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CCC[C@@H](F)C1 ZINC000565630334 325935770 /nfs/dbraw/zinc/93/57/70/325935770.db2.gz JYALOJDOUHPRJZ-CYBMUJFWSA-N 1 2 244.313 3.482 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CCC[C@H](F)C1 ZINC000565630341 325935630 /nfs/dbraw/zinc/93/56/30/325935630.db2.gz JYALOJDOUHPRJZ-ZDUSSCGKSA-N 1 2 244.313 3.482 20 0 BGADLO FC(F)C1([NH2+]Cc2ccnc3ccccc23)CC1 ZINC000565668864 325941546 /nfs/dbraw/zinc/94/15/46/325941546.db2.gz WZTKTWCIJMJRRY-UHFFFAOYSA-N 1 2 248.276 3.122 20 0 BGADLO Cc1cccc(CCSCC2CCC2)[nH+]1 ZINC000565716306 388964123 /nfs/dbraw/zinc/96/41/23/388964123.db2.gz DLLDSHNJRFZUGG-UHFFFAOYSA-N 1 2 221.369 3.466 20 0 BGADLO Cn1cc[nH+]c1-c1cccc(NCC2(C)CC2)c1 ZINC000565927627 388979354 /nfs/dbraw/zinc/97/93/54/388979354.db2.gz JZKKOQZVORLXCA-UHFFFAOYSA-N 1 2 241.338 3.299 20 0 BGADLO Cc1c[nH+]c(CCSCc2ccon2)c(C)c1 ZINC000566238055 326021248 /nfs/dbraw/zinc/02/12/48/326021248.db2.gz ASUQRBAOMXXRIF-UHFFFAOYSA-N 1 2 248.351 3.162 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1cccc(N)c1 ZINC000566239656 326021149 /nfs/dbraw/zinc/02/11/49/326021149.db2.gz WEAGZHRXMLXCKG-UHFFFAOYSA-N 1 2 242.322 3.114 20 0 BGADLO CSc1ccc(C[N@H+]2CCC[C@@H](F)C2)s1 ZINC000566353162 326036274 /nfs/dbraw/zinc/03/62/74/326036274.db2.gz GNXNQOZAAWQNGM-SECBINFHSA-N 1 2 245.388 3.404 20 0 BGADLO CSc1ccc(C[N@@H+]2CCC[C@@H](F)C2)s1 ZINC000566353162 326036273 /nfs/dbraw/zinc/03/62/73/326036273.db2.gz GNXNQOZAAWQNGM-SECBINFHSA-N 1 2 245.388 3.404 20 0 BGADLO CSc1ccc(C[N@H+]2CCC[C@H](F)C2)s1 ZINC000566353166 326035966 /nfs/dbraw/zinc/03/59/66/326035966.db2.gz GNXNQOZAAWQNGM-VIFPVBQESA-N 1 2 245.388 3.404 20 0 BGADLO CSc1ccc(C[N@@H+]2CCC[C@H](F)C2)s1 ZINC000566353166 326035964 /nfs/dbraw/zinc/03/59/64/326035964.db2.gz GNXNQOZAAWQNGM-VIFPVBQESA-N 1 2 245.388 3.404 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CCC2(CCCC2)CC1 ZINC000566478158 326054543 /nfs/dbraw/zinc/05/45/43/326054543.db2.gz CYYKSOYOCVNERE-UHFFFAOYSA-N 1 2 245.370 3.254 20 0 BGADLO Cc1[nH]c(CNc2ccc(C)c(C)c2)[nH+]c1C ZINC000566498956 326058951 /nfs/dbraw/zinc/05/89/51/326058951.db2.gz KEJFDASWWYQLKK-UHFFFAOYSA-N 1 2 229.327 3.255 20 0 BGADLO Cc1[nH]c(CNc2ccc(C)c(F)c2)[nH+]c1C ZINC000566499297 323003313 /nfs/dbraw/zinc/00/33/13/323003313.db2.gz PGZVSIYDEGXUKQ-UHFFFAOYSA-N 1 2 233.290 3.086 20 0 BGADLO Cc1[nH]c(CNc2ccc(C)cc2C)[nH+]c1C ZINC000566499403 326059103 /nfs/dbraw/zinc/05/91/03/326059103.db2.gz SJPXDRNMMXYGKP-UHFFFAOYSA-N 1 2 229.327 3.255 20 0 BGADLO CCC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000566669261 326072490 /nfs/dbraw/zinc/07/24/90/326072490.db2.gz GMJRUJLYAKFCDM-CYBMUJFWSA-N 1 2 243.272 3.245 20 0 BGADLO CCC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000566669261 326072487 /nfs/dbraw/zinc/07/24/87/326072487.db2.gz GMJRUJLYAKFCDM-CYBMUJFWSA-N 1 2 243.272 3.245 20 0 BGADLO CCC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000566669264 326072414 /nfs/dbraw/zinc/07/24/14/326072414.db2.gz GMJRUJLYAKFCDM-ZDUSSCGKSA-N 1 2 243.272 3.245 20 0 BGADLO CCC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000566669264 326072413 /nfs/dbraw/zinc/07/24/13/326072413.db2.gz GMJRUJLYAKFCDM-ZDUSSCGKSA-N 1 2 243.272 3.245 20 0 BGADLO Cc1cccc2c1cc[nH+]c2N1CCC[C@@H]1CF ZINC000566675253 326073036 /nfs/dbraw/zinc/07/30/36/326073036.db2.gz IRFZZNRAIAOSMZ-GFCCVEGCSA-N 1 2 244.313 3.482 20 0 BGADLO Cc1cccc2c1cc[nH+]c2N1CCC[C@H]1CF ZINC000566675254 326073079 /nfs/dbraw/zinc/07/30/79/326073079.db2.gz IRFZZNRAIAOSMZ-LBPRGKRZSA-N 1 2 244.313 3.482 20 0 BGADLO CCc1cccc(C[N@H+]2Cc3cccnc3C2)c1 ZINC000566734557 326077903 /nfs/dbraw/zinc/07/79/03/326077903.db2.gz ASZLNMFKNKNZEQ-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO CCc1cccc(C[N@@H+]2Cc3cccnc3C2)c1 ZINC000566734557 326077902 /nfs/dbraw/zinc/07/79/02/326077902.db2.gz ASZLNMFKNKNZEQ-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO CC[C@@H]1CCCN(c2nc(C)[nH+]cc2C)CC1 ZINC000566746800 326079835 /nfs/dbraw/zinc/07/98/35/326079835.db2.gz AUECMXADHNRXGS-CYBMUJFWSA-N 1 2 233.359 3.110 20 0 BGADLO CC[C@H]1CCCN(c2nc(C)[nH+]cc2C)CC1 ZINC000566746808 326079470 /nfs/dbraw/zinc/07/94/70/326079470.db2.gz AUECMXADHNRXGS-ZDUSSCGKSA-N 1 2 233.359 3.110 20 0 BGADLO CCC1(CC)CCN(c2nc(C)[nH+]cc2C)C1 ZINC000566807413 326085526 /nfs/dbraw/zinc/08/55/26/326085526.db2.gz OLKSELJSLIVUDG-UHFFFAOYSA-N 1 2 233.359 3.110 20 0 BGADLO c1cnc2ccc(COc3cc[nH+]cc3)cc2c1 ZINC000566840124 326086671 /nfs/dbraw/zinc/08/66/71/326086671.db2.gz DEMVJWHZGKDVQK-UHFFFAOYSA-N 1 2 236.274 3.209 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccon2)c(C)o1 ZINC000567013208 326101016 /nfs/dbraw/zinc/10/10/16/326101016.db2.gz VDWXTPFHWPEJES-NXEZZACHSA-N 1 2 234.299 3.296 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccon2)c(C)o1 ZINC000567013209 326101445 /nfs/dbraw/zinc/10/14/45/326101445.db2.gz VDWXTPFHWPEJES-UWVGGRQHSA-N 1 2 234.299 3.296 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccon2)c(C)o1 ZINC000567013210 326101299 /nfs/dbraw/zinc/10/12/99/326101299.db2.gz VDWXTPFHWPEJES-VHSXEESVSA-N 1 2 234.299 3.296 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccon2)c(C)o1 ZINC000567013211 326101210 /nfs/dbraw/zinc/10/12/10/326101210.db2.gz VDWXTPFHWPEJES-ZJUUUORDSA-N 1 2 234.299 3.296 20 0 BGADLO COc1ccc([C@H](C)[C@@H](C)Nc2c[nH]c[nH+]2)cc1 ZINC000567091205 326113787 /nfs/dbraw/zinc/11/37/87/326113787.db2.gz NBFYMFKTNBDATH-GHMZBOCLSA-N 1 2 245.326 3.022 20 0 BGADLO COc1ccc([C@H](C)[C@H](C)Nc2c[nH]c[nH+]2)cc1 ZINC000567091206 326113716 /nfs/dbraw/zinc/11/37/16/326113716.db2.gz NBFYMFKTNBDATH-MNOVXSKESA-N 1 2 245.326 3.022 20 0 BGADLO COc1ccc([C@@H](C)[C@H](C)Nc2c[nH]c[nH+]2)cc1 ZINC000567091207 326113942 /nfs/dbraw/zinc/11/39/42/326113942.db2.gz NBFYMFKTNBDATH-QWRGUYRKSA-N 1 2 245.326 3.022 20 0 BGADLO COc1ccc([C@@H](C)[C@@H](C)Nc2c[nH]c[nH+]2)cc1 ZINC000567091208 323325182 /nfs/dbraw/zinc/32/51/82/323325182.db2.gz NBFYMFKTNBDATH-WDEREUQCSA-N 1 2 245.326 3.022 20 0 BGADLO CC[C@H](F)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000567181835 326131014 /nfs/dbraw/zinc/13/10/14/326131014.db2.gz LPYVPBFPLNYUFS-KBPBESRZSA-N 1 2 239.309 3.305 20 0 BGADLO CC[C@H](F)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000567181835 326131013 /nfs/dbraw/zinc/13/10/13/326131013.db2.gz LPYVPBFPLNYUFS-KBPBESRZSA-N 1 2 239.309 3.305 20 0 BGADLO CC[C@@H](F)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000567181836 326131360 /nfs/dbraw/zinc/13/13/60/326131360.db2.gz LPYVPBFPLNYUFS-KGLIPLIRSA-N 1 2 239.309 3.305 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000567181836 326131359 /nfs/dbraw/zinc/13/13/59/326131359.db2.gz LPYVPBFPLNYUFS-KGLIPLIRSA-N 1 2 239.309 3.305 20 0 BGADLO CC[C@H](F)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000567181837 326130937 /nfs/dbraw/zinc/13/09/37/326130937.db2.gz LPYVPBFPLNYUFS-UONOGXRCSA-N 1 2 239.309 3.305 20 0 BGADLO CC[C@H](F)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000567181837 326130933 /nfs/dbraw/zinc/13/09/33/326130933.db2.gz LPYVPBFPLNYUFS-UONOGXRCSA-N 1 2 239.309 3.305 20 0 BGADLO CC[C@@H](F)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000567181838 326131204 /nfs/dbraw/zinc/13/12/04/326131204.db2.gz LPYVPBFPLNYUFS-ZIAGYGMSSA-N 1 2 239.309 3.305 20 0 BGADLO CC[C@@H](F)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000567181838 326131202 /nfs/dbraw/zinc/13/12/02/326131202.db2.gz LPYVPBFPLNYUFS-ZIAGYGMSSA-N 1 2 239.309 3.305 20 0 BGADLO Cc1cc2cc(CNc3c[nH]c[nH+]3)oc2cc1C ZINC000567193100 323174705 /nfs/dbraw/zinc/17/47/05/323174705.db2.gz AIWQPWOLMSGJOD-UHFFFAOYSA-N 1 2 241.294 3.385 20 0 BGADLO Cc1ccc(NC(=O)NC(C)(C)C(C)C)c(C)[nH+]1 ZINC000567320656 326160405 /nfs/dbraw/zinc/16/04/05/326160405.db2.gz FDYUVSNWGPQBAT-UHFFFAOYSA-N 1 2 249.358 3.255 20 0 BGADLO F[C@@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000567509129 326207285 /nfs/dbraw/zinc/20/72/85/326207285.db2.gz YFEXNZVNKHKYIZ-SECBINFHSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000567509129 326207283 /nfs/dbraw/zinc/20/72/83/326207283.db2.gz YFEXNZVNKHKYIZ-SECBINFHSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000567509130 326207297 /nfs/dbraw/zinc/20/72/97/326207297.db2.gz YFEXNZVNKHKYIZ-VIFPVBQESA-N 1 2 233.739 3.335 20 0 BGADLO F[C@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000567509130 326207295 /nfs/dbraw/zinc/20/72/95/326207295.db2.gz YFEXNZVNKHKYIZ-VIFPVBQESA-N 1 2 233.739 3.335 20 0 BGADLO Fc1cccc(C[NH+]2CC(CC(F)F)C2)c1F ZINC000567722898 326251535 /nfs/dbraw/zinc/25/15/35/326251535.db2.gz RVUDTODYKFYXQF-UHFFFAOYSA-N 1 2 247.235 3.052 20 0 BGADLO Cc1cccc(CCSc2ncccc2C)[nH+]1 ZINC000567844037 326268785 /nfs/dbraw/zinc/26/87/85/326268785.db2.gz XSQQSGCMSVYNMA-UHFFFAOYSA-N 1 2 244.363 3.428 20 0 BGADLO CC(C)c1ccc(CCNc2c[nH]c[nH+]2)cc1 ZINC000567846343 326269156 /nfs/dbraw/zinc/26/91/56/326269156.db2.gz YMMPQIORVICUKY-UHFFFAOYSA-N 1 2 229.327 3.188 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c(C)[nH+]1 ZINC000567991610 326293047 /nfs/dbraw/zinc/29/30/47/326293047.db2.gz YMDJGKLUMSTPCT-QWHCGFSZSA-N 1 2 244.338 3.073 20 0 BGADLO F[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000568053964 326301132 /nfs/dbraw/zinc/30/11/32/326301132.db2.gz LDNAGRVGTNTKIO-GFCCVEGCSA-N 1 2 227.710 3.274 20 0 BGADLO F[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000568053964 326301130 /nfs/dbraw/zinc/30/11/30/326301130.db2.gz LDNAGRVGTNTKIO-GFCCVEGCSA-N 1 2 227.710 3.274 20 0 BGADLO F[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000568053965 326300925 /nfs/dbraw/zinc/30/09/25/326300925.db2.gz LDNAGRVGTNTKIO-LBPRGKRZSA-N 1 2 227.710 3.274 20 0 BGADLO F[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000568053965 326300924 /nfs/dbraw/zinc/30/09/24/326300924.db2.gz LDNAGRVGTNTKIO-LBPRGKRZSA-N 1 2 227.710 3.274 20 0 BGADLO F[C@@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000568054641 326301384 /nfs/dbraw/zinc/30/13/84/326301384.db2.gz YIXRJKQKEFVDDN-SECBINFHSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000568054641 326301383 /nfs/dbraw/zinc/30/13/83/326301383.db2.gz YIXRJKQKEFVDDN-SECBINFHSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000568054642 326301507 /nfs/dbraw/zinc/30/15/07/326301507.db2.gz YIXRJKQKEFVDDN-VIFPVBQESA-N 1 2 233.739 3.335 20 0 BGADLO F[C@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000568054642 326301506 /nfs/dbraw/zinc/30/15/06/326301506.db2.gz YIXRJKQKEFVDDN-VIFPVBQESA-N 1 2 233.739 3.335 20 0 BGADLO F[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000568054657 326301758 /nfs/dbraw/zinc/30/17/58/326301758.db2.gz YRKRJZGNOGJGDM-MRVPVSSYSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000568054657 326301757 /nfs/dbraw/zinc/30/17/57/326301757.db2.gz YRKRJZGNOGJGDM-MRVPVSSYSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000568054658 326301379 /nfs/dbraw/zinc/30/13/79/326301379.db2.gz YRKRJZGNOGJGDM-QMMMGPOBSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000568054658 326301376 /nfs/dbraw/zinc/30/13/76/326301376.db2.gz YRKRJZGNOGJGDM-QMMMGPOBSA-N 1 2 233.739 3.335 20 0 BGADLO Cc1cccc2c1cc[nH+]c2N1CCC(F)(F)C1 ZINC000568081607 326305725 /nfs/dbraw/zinc/30/57/25/326305725.db2.gz UAILMMZGERHNHF-UHFFFAOYSA-N 1 2 248.276 3.389 20 0 BGADLO Cc1nc(CSCCc2cccc(C)[nH+]2)co1 ZINC000568246256 326333845 /nfs/dbraw/zinc/33/38/45/326333845.db2.gz JLYFISIVMOULMD-UHFFFAOYSA-N 1 2 248.351 3.162 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CCCC2(CCCC2)C1 ZINC000568250530 326335047 /nfs/dbraw/zinc/33/50/47/326335047.db2.gz SPDMEJBHCUHHPV-UHFFFAOYSA-N 1 2 245.370 3.254 20 0 BGADLO Cc1ccc(C2CC(Nc3c[nH]c[nH+]3)C2)cc1 ZINC000568338772 326345432 /nfs/dbraw/zinc/34/54/32/326345432.db2.gz ZORFGNWSQDMDCG-UHFFFAOYSA-N 1 2 227.311 3.076 20 0 BGADLO c1cc(CCC[N@H+]2Cc3cccnc3C2)cs1 ZINC000568503807 326360551 /nfs/dbraw/zinc/36/05/51/326360551.db2.gz WGVBITVETXUHFU-UHFFFAOYSA-N 1 2 244.363 3.092 20 0 BGADLO c1cc(CCC[N@@H+]2Cc3cccnc3C2)cs1 ZINC000568503807 326360549 /nfs/dbraw/zinc/36/05/49/326360549.db2.gz WGVBITVETXUHFU-UHFFFAOYSA-N 1 2 244.363 3.092 20 0 BGADLO CCCCSCCc1cccc(C)[nH+]1 ZINC000568511958 326361375 /nfs/dbraw/zinc/36/13/75/326361375.db2.gz CWDXEZHTWQRLKE-UHFFFAOYSA-N 1 2 209.358 3.466 20 0 BGADLO CCC(CC)[N@@H+](CC)Cc1nnsc1Cl ZINC000568557332 326365455 /nfs/dbraw/zinc/36/54/55/326365455.db2.gz JBIAAKUJHHDDCB-UHFFFAOYSA-N 1 2 247.795 3.202 20 0 BGADLO CCC(CC)[N@H+](CC)Cc1nnsc1Cl ZINC000568557332 326365454 /nfs/dbraw/zinc/36/54/54/326365454.db2.gz JBIAAKUJHHDDCB-UHFFFAOYSA-N 1 2 247.795 3.202 20 0 BGADLO FCC(CF)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000568949900 326383094 /nfs/dbraw/zinc/38/30/94/326383094.db2.gz BLKGFRKCPKMVDJ-UHFFFAOYSA-N 1 2 235.224 3.021 20 0 BGADLO F[C@@H]1CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000568990511 326385201 /nfs/dbraw/zinc/38/52/01/326385201.db2.gz KOSKNAWYSCGLIT-MRVPVSSYSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000568990511 326385200 /nfs/dbraw/zinc/38/52/00/326385200.db2.gz KOSKNAWYSCGLIT-MRVPVSSYSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@H]1CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000568990514 326385414 /nfs/dbraw/zinc/38/54/14/326385414.db2.gz KOSKNAWYSCGLIT-QMMMGPOBSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000568990514 326385413 /nfs/dbraw/zinc/38/54/13/326385413.db2.gz KOSKNAWYSCGLIT-QMMMGPOBSA-N 1 2 233.739 3.335 20 0 BGADLO Cc1c[nH+]c(CCSc2ccccn2)c(C)c1 ZINC000568999405 326385884 /nfs/dbraw/zinc/38/58/84/326385884.db2.gz HIBKHDBSJDOBBM-UHFFFAOYSA-N 1 2 244.363 3.428 20 0 BGADLO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(F)F)[C@@H](C)C2 ZINC000569010324 326386615 /nfs/dbraw/zinc/38/66/15/326386615.db2.gz JDNIANXSWOQVKR-GWCFXTLKSA-N 1 2 239.309 3.473 20 0 BGADLO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(F)F)[C@@H](C)C2 ZINC000569010325 326386692 /nfs/dbraw/zinc/38/66/92/326386692.db2.gz JDNIANXSWOQVKR-GXFFZTMASA-N 1 2 239.309 3.473 20 0 BGADLO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(F)F)[C@H](C)C2 ZINC000569010327 326386712 /nfs/dbraw/zinc/38/67/12/326386712.db2.gz JDNIANXSWOQVKR-MFKMUULPSA-N 1 2 239.309 3.473 20 0 BGADLO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(F)F)[C@H](C)C2 ZINC000569010328 326386752 /nfs/dbraw/zinc/38/67/52/326386752.db2.gz JDNIANXSWOQVKR-ZWNOBZJWSA-N 1 2 239.309 3.473 20 0 BGADLO CC(C)c1cnc(C[NH2+]C2(CF)CCC2)s1 ZINC000569102571 326390199 /nfs/dbraw/zinc/39/01/99/326390199.db2.gz QWFJBNSJFKAINV-UHFFFAOYSA-N 1 2 242.363 3.248 20 0 BGADLO Fc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000569131300 326392296 /nfs/dbraw/zinc/39/22/96/326392296.db2.gz YFUFQMIYPRVEIH-LLVKDONJSA-N 1 2 245.700 3.413 20 0 BGADLO Fc1cc(Cl)cc(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000569131300 326392294 /nfs/dbraw/zinc/39/22/94/326392294.db2.gz YFUFQMIYPRVEIH-LLVKDONJSA-N 1 2 245.700 3.413 20 0 BGADLO Fc1cc(Cl)cc(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000569131370 326392349 /nfs/dbraw/zinc/39/23/49/326392349.db2.gz YFUFQMIYPRVEIH-NSHDSACASA-N 1 2 245.700 3.413 20 0 BGADLO Fc1cc(Cl)cc(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000569131370 326392348 /nfs/dbraw/zinc/39/23/48/326392348.db2.gz YFUFQMIYPRVEIH-NSHDSACASA-N 1 2 245.700 3.413 20 0 BGADLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccoc1 ZINC000569229498 326396176 /nfs/dbraw/zinc/39/61/76/326396176.db2.gz GGLCYWXAGGNFIN-JTQLQIEISA-N 1 2 228.295 3.421 20 0 BGADLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccoc1 ZINC000569229502 326396300 /nfs/dbraw/zinc/39/63/00/326396300.db2.gz GGLCYWXAGGNFIN-SNVBAGLBSA-N 1 2 228.295 3.421 20 0 BGADLO Cc1[nH]c(CNc2cc(F)ccc2C)[nH+]c1C ZINC000569237550 326397053 /nfs/dbraw/zinc/39/70/53/326397053.db2.gz LNVVQDODMGCCOH-UHFFFAOYSA-N 1 2 233.290 3.086 20 0 BGADLO CCC[C@@H](Nc1c[nH]c[nH+]1)C1CCCC1 ZINC000569306815 326399598 /nfs/dbraw/zinc/39/95/98/326399598.db2.gz WMIFIQZJEZQHOK-LLVKDONJSA-N 1 2 207.321 3.181 20 0 BGADLO CCC[C@H](Nc1c[nH]c[nH+]1)C1CCCC1 ZINC000569306816 326399557 /nfs/dbraw/zinc/39/95/57/326399557.db2.gz WMIFIQZJEZQHOK-NSHDSACASA-N 1 2 207.321 3.181 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C(C)(C)C(C)(C)C ZINC000569480132 322967455 /nfs/dbraw/zinc/96/74/55/322967455.db2.gz RDPDLVOWRVRELN-UHFFFAOYSA-N 1 2 248.370 3.077 20 0 BGADLO COC[C@@H](C)SCCc1[nH+]cc(C)cc1C ZINC000569577227 384279785 /nfs/dbraw/zinc/27/97/85/384279785.db2.gz LIYJFGPWMZIZDK-GFCCVEGCSA-N 1 2 239.384 3.009 20 0 BGADLO COC[C@H](C)SCCc1[nH+]cc(C)cc1C ZINC000569577228 322971172 /nfs/dbraw/zinc/97/11/72/322971172.db2.gz LIYJFGPWMZIZDK-LBPRGKRZSA-N 1 2 239.384 3.009 20 0 BGADLO Cc1ccnc([C@@H](C)[NH2+][C@H](C)c2cscn2)c1 ZINC000569621833 322997807 /nfs/dbraw/zinc/99/78/07/322997807.db2.gz BPQJPZACENWJNU-GHMZBOCLSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccnc([C@@H](C)[NH2+][C@@H](C)c2cscn2)c1 ZINC000569621834 322997845 /nfs/dbraw/zinc/99/78/45/322997845.db2.gz BPQJPZACENWJNU-MNOVXSKESA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccnc([C@H](C)[NH2+][C@@H](C)c2cscn2)c1 ZINC000569621835 384588441 /nfs/dbraw/zinc/58/84/41/384588441.db2.gz BPQJPZACENWJNU-QWRGUYRKSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1ccnc([C@H](C)[NH2+][C@H](C)c2cscn2)c1 ZINC000569621836 322997796 /nfs/dbraw/zinc/99/77/96/322997796.db2.gz BPQJPZACENWJNU-WDEREUQCSA-N 1 2 247.367 3.258 20 0 BGADLO FCC1([NH2+]Cc2csc(C3CC3)n2)CCC1 ZINC000569723379 323038778 /nfs/dbraw/zinc/03/87/78/323038778.db2.gz NWCDXMDSZYUXIK-UHFFFAOYSA-N 1 2 240.347 3.002 20 0 BGADLO Cc1cc(C[N@H+]2CCC(=O)CC23CCC3)cs1 ZINC000569938137 323044852 /nfs/dbraw/zinc/04/48/52/323044852.db2.gz SSYKEMJFJNMSQT-UHFFFAOYSA-N 1 2 249.379 3.144 20 0 BGADLO Cc1cc(C[N@@H+]2CCC(=O)CC23CCC3)cs1 ZINC000569938137 323044851 /nfs/dbraw/zinc/04/48/51/323044851.db2.gz SSYKEMJFJNMSQT-UHFFFAOYSA-N 1 2 249.379 3.144 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@H]1CCCC(F)(F)C1 ZINC000569941439 323045417 /nfs/dbraw/zinc/04/54/17/323045417.db2.gz PPXPTSIWYGFXCM-JTQLQIEISA-N 1 2 241.285 3.083 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCCC(F)(F)C1 ZINC000569941444 323045379 /nfs/dbraw/zinc/04/53/79/323045379.db2.gz PPXPTSIWYGFXCM-SNVBAGLBSA-N 1 2 241.285 3.083 20 0 BGADLO FC(F)(F)C1C[NH+](Cc2ccccc2Cl)C1 ZINC000570008111 323047426 /nfs/dbraw/zinc/04/74/26/323047426.db2.gz FQALEHTZMZUHBO-UHFFFAOYSA-N 1 2 249.663 3.334 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CC(C2CCCCC2)C1 ZINC000570174776 323052084 /nfs/dbraw/zinc/05/20/84/323052084.db2.gz FBUBZLITRWLSEY-UHFFFAOYSA-N 1 2 245.370 3.110 20 0 BGADLO FC1(C[N@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC000570259544 323054441 /nfs/dbraw/zinc/05/44/41/323054441.db2.gz UIBKVSLWVIABNR-UHFFFAOYSA-N 1 2 225.694 3.158 20 0 BGADLO FC1(C[N@@H+]2Cc3ccc(Cl)cc3C2)CC1 ZINC000570259544 323054440 /nfs/dbraw/zinc/05/44/40/323054440.db2.gz UIBKVSLWVIABNR-UHFFFAOYSA-N 1 2 225.694 3.158 20 0 BGADLO CCc1[nH+]c(C)ccc1OC[C@@H]1CCO[C@H](C)C1 ZINC000570273519 323054617 /nfs/dbraw/zinc/05/46/17/323054617.db2.gz FQGWLZIROSJQJL-CHWSQXEVSA-N 1 2 249.354 3.146 20 0 BGADLO CCc1[nH+]c(C)ccc1OC[C@H]1CCO[C@H](C)C1 ZINC000570273527 323054490 /nfs/dbraw/zinc/05/44/90/323054490.db2.gz FQGWLZIROSJQJL-OLZOCXBDSA-N 1 2 249.354 3.146 20 0 BGADLO CCc1[nH+]c(C)ccc1OC[C@@H]1CCO[C@@H](C)C1 ZINC000570273528 323054620 /nfs/dbraw/zinc/05/46/20/323054620.db2.gz FQGWLZIROSJQJL-QWHCGFSZSA-N 1 2 249.354 3.146 20 0 BGADLO CCc1[nH+]c(C)ccc1OC[C@H]1CCO[C@@H](C)C1 ZINC000570273531 323054628 /nfs/dbraw/zinc/05/46/28/323054628.db2.gz FQGWLZIROSJQJL-STQMWFEESA-N 1 2 249.354 3.146 20 0 BGADLO Cc1c[nH+]c(CCSC(C)C)c(C)c1 ZINC000570332651 323056185 /nfs/dbraw/zinc/05/61/85/323056185.db2.gz ULNHYRFENJSDIO-UHFFFAOYSA-N 1 2 209.358 3.383 20 0 BGADLO Cc1[nH]c(CNc2ccc(C)cc2F)[nH+]c1C ZINC000570345523 323057033 /nfs/dbraw/zinc/05/70/33/323057033.db2.gz OQTBOOLWMKEIQG-UHFFFAOYSA-N 1 2 233.290 3.086 20 0 BGADLO CCC[C@@H](CC)Nc1nc(C)[nH+]cc1C ZINC000570411094 323058941 /nfs/dbraw/zinc/05/89/41/323058941.db2.gz UEJJOWSHZUEPST-LLVKDONJSA-N 1 2 207.321 3.084 20 0 BGADLO CCC[C@H](CC)Nc1nc(C)[nH+]cc1C ZINC000570411096 323059000 /nfs/dbraw/zinc/05/90/00/323059000.db2.gz UEJJOWSHZUEPST-NSHDSACASA-N 1 2 207.321 3.084 20 0 BGADLO Cc1nc(CSCc2ccc(C)[nH+]c2C)co1 ZINC000570462775 323060060 /nfs/dbraw/zinc/06/00/60/323060060.db2.gz KVPDIKHQRRSSMK-UHFFFAOYSA-N 1 2 248.351 3.428 20 0 BGADLO Cc1cc(N2CCCC2(C)C)nc(C(C)C)[nH+]1 ZINC000570496325 323061168 /nfs/dbraw/zinc/06/11/68/323061168.db2.gz OBPBYTIPJYJPBF-UHFFFAOYSA-N 1 2 233.359 3.287 20 0 BGADLO CCN(CC(C)(C)C)c1cc[nH+]c(C2CC2)n1 ZINC000570528749 323062415 /nfs/dbraw/zinc/06/24/15/323062415.db2.gz CPJKWAMWRUADAW-UHFFFAOYSA-N 1 2 233.359 3.226 20 0 BGADLO CC(F)(F)C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000570532023 323062300 /nfs/dbraw/zinc/06/23/00/323062300.db2.gz BOIWXQWLEVTCCX-IHWYPQMZSA-N 1 2 247.235 3.223 20 0 BGADLO CC(F)(F)C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000570532028 323062297 /nfs/dbraw/zinc/06/22/97/323062297.db2.gz BOIWXQWLEVTCCX-NSCUHMNNSA-N 1 2 247.235 3.223 20 0 BGADLO c1[nH]cc(NCCCCCOc2ccccc2)[nH+]1 ZINC000570611914 346357133 /nfs/dbraw/zinc/35/71/33/346357133.db2.gz DMMHAIREPSBLOL-UHFFFAOYSA-N 1 2 245.326 3.071 20 0 BGADLO CC(F)(F)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000570706381 323068338 /nfs/dbraw/zinc/06/83/38/323068338.db2.gz DPXHTIWVDQADGC-UHFFFAOYSA-N 1 2 225.282 3.309 20 0 BGADLO CC(C)(C)c1cnc(C[N@H+]2CCC2(C)C)s1 ZINC000570786486 323070201 /nfs/dbraw/zinc/07/02/01/323070201.db2.gz IVGURELYPHMZOC-UHFFFAOYSA-N 1 2 238.400 3.425 20 0 BGADLO CC(C)(C)c1cnc(C[N@@H+]2CCC2(C)C)s1 ZINC000570786486 323070200 /nfs/dbraw/zinc/07/02/00/323070200.db2.gz IVGURELYPHMZOC-UHFFFAOYSA-N 1 2 238.400 3.425 20 0 BGADLO CCCN(C(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000570813112 323071248 /nfs/dbraw/zinc/07/12/48/323071248.db2.gz MGBMTIFCXUJMSV-UHFFFAOYSA-N 1 2 249.358 3.351 20 0 BGADLO Cc1cccc(CN(C)c2nc(C)[nH+]cc2C)c1 ZINC000570816624 323071645 /nfs/dbraw/zinc/07/16/45/323071645.db2.gz RTRHUVAMNAJGFV-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NCCCC1CC1 ZINC000571073458 323134734 /nfs/dbraw/zinc/13/47/34/323134734.db2.gz XBJVNHOLIXEHRK-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO F[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000571095401 323135288 /nfs/dbraw/zinc/13/52/88/323135288.db2.gz INAYKJYHRDAVJT-LLVKDONJSA-N 1 2 227.710 3.274 20 0 BGADLO F[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000571095401 323135287 /nfs/dbraw/zinc/13/52/87/323135287.db2.gz INAYKJYHRDAVJT-LLVKDONJSA-N 1 2 227.710 3.274 20 0 BGADLO F[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000571095405 323135314 /nfs/dbraw/zinc/13/53/14/323135314.db2.gz INAYKJYHRDAVJT-NSHDSACASA-N 1 2 227.710 3.274 20 0 BGADLO F[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000571095405 323135313 /nfs/dbraw/zinc/13/53/13/323135313.db2.gz INAYKJYHRDAVJT-NSHDSACASA-N 1 2 227.710 3.274 20 0 BGADLO CC[C@@H](C)C[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000571101304 323135496 /nfs/dbraw/zinc/13/54/96/323135496.db2.gz VPCIICSSCIDPMR-NEPJUHHUSA-N 1 2 243.354 3.288 20 0 BGADLO CC[C@H](C)C[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000571101305 323135465 /nfs/dbraw/zinc/13/54/65/323135465.db2.gz VPCIICSSCIDPMR-NWDGAFQWSA-N 1 2 243.354 3.288 20 0 BGADLO CC[C@H](C)C[C@H](C)Nc1cc[nH+]c2ccncc12 ZINC000571101306 323135404 /nfs/dbraw/zinc/13/54/04/323135404.db2.gz VPCIICSSCIDPMR-RYUDHWBXSA-N 1 2 243.354 3.288 20 0 BGADLO CC[C@@H](C)C[C@@H](C)Nc1cc[nH+]c2ccncc12 ZINC000571101307 323135429 /nfs/dbraw/zinc/13/54/29/323135429.db2.gz VPCIICSSCIDPMR-VXGBXAGGSA-N 1 2 243.354 3.288 20 0 BGADLO CC[C@@H]([NH2+]Cc1cnc(C2CC2)s1)C(F)F ZINC000571135593 323136365 /nfs/dbraw/zinc/13/63/65/323136365.db2.gz VORMBQZPBYURRF-SECBINFHSA-N 1 2 246.326 3.154 20 0 BGADLO CC[C@H]([NH2+]Cc1cnc(C2CC2)s1)C(F)F ZINC000571135594 323136267 /nfs/dbraw/zinc/13/62/67/323136267.db2.gz VORMBQZPBYURRF-VIFPVBQESA-N 1 2 246.326 3.154 20 0 BGADLO FC1(C[N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC000571142875 323136397 /nfs/dbraw/zinc/13/63/97/323136397.db2.gz OLBOXORSBLAERF-UHFFFAOYSA-N 1 2 239.721 3.200 20 0 BGADLO FC1(C[N@@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC000571142875 323136396 /nfs/dbraw/zinc/13/63/96/323136396.db2.gz OLBOXORSBLAERF-UHFFFAOYSA-N 1 2 239.721 3.200 20 0 BGADLO c1ccc2c(c1)[nH]c1nc[nH+]c(NC3CCC3)c21 ZINC000571154683 323136771 /nfs/dbraw/zinc/13/67/71/323136771.db2.gz FWCWADKWHHDAER-UHFFFAOYSA-N 1 2 238.294 3.076 20 0 BGADLO FC(F)(F)C1C[NH+](Cc2ccc(Cl)cc2)C1 ZINC000571245066 323139242 /nfs/dbraw/zinc/13/92/42/323139242.db2.gz LUIKNGBKRSVYPB-UHFFFAOYSA-N 1 2 249.663 3.334 20 0 BGADLO COc1cc(C)ccc1[C@H](C)[NH2+]CC(C)(F)F ZINC000571423173 323144451 /nfs/dbraw/zinc/14/44/51/323144451.db2.gz DHOQETIAAIYFBS-JTQLQIEISA-N 1 2 243.297 3.309 20 0 BGADLO COc1cc(C)ccc1[C@@H](C)[NH2+]CC(C)(F)F ZINC000571423174 323144529 /nfs/dbraw/zinc/14/45/29/323144529.db2.gz DHOQETIAAIYFBS-SNVBAGLBSA-N 1 2 243.297 3.309 20 0 BGADLO CCC[C@@H]([NH2+]Cc1ncccn1)c1ccsc1 ZINC000571464413 323145661 /nfs/dbraw/zinc/14/56/61/323145661.db2.gz VKELKYDOBZQDFI-GFCCVEGCSA-N 1 2 247.367 3.169 20 0 BGADLO CCC[C@H]([NH2+]Cc1ncccn1)c1ccsc1 ZINC000571464414 323145657 /nfs/dbraw/zinc/14/56/57/323145657.db2.gz VKELKYDOBZQDFI-LBPRGKRZSA-N 1 2 247.367 3.169 20 0 BGADLO CCc1ccccc1NCc1[nH]c(C)c(C)[nH+]1 ZINC000571581576 323148527 /nfs/dbraw/zinc/14/85/27/323148527.db2.gz GWAGCTFORUAYIZ-UHFFFAOYSA-N 1 2 229.327 3.201 20 0 BGADLO CC[C@H]([NH2+]Cc1cc(C)sc1C)C(F)F ZINC000571612221 323149166 /nfs/dbraw/zinc/14/91/66/323149166.db2.gz PIRJRCNMNMZVGX-JTQLQIEISA-N 1 2 233.327 3.498 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc(C)sc1C)C(F)F ZINC000571612222 323149198 /nfs/dbraw/zinc/14/91/98/323149198.db2.gz PIRJRCNMNMZVGX-SNVBAGLBSA-N 1 2 233.327 3.498 20 0 BGADLO CCCc1ncc(C[NH2+][C@@H](C)c2ccoc2)o1 ZINC000571632978 323150117 /nfs/dbraw/zinc/15/01/17/323150117.db2.gz LGWVXCPLBVQCOX-JTQLQIEISA-N 1 2 234.299 3.071 20 0 BGADLO CCCc1ncc(C[NH2+][C@H](C)c2ccoc2)o1 ZINC000571632981 323150160 /nfs/dbraw/zinc/15/01/60/323150160.db2.gz LGWVXCPLBVQCOX-SNVBAGLBSA-N 1 2 234.299 3.071 20 0 BGADLO Cc1ccc(COc2cnn(C(C)C)c2)c(C)[nH+]1 ZINC000571655805 323151356 /nfs/dbraw/zinc/15/13/56/323151356.db2.gz SPHKUMMPWDNESX-UHFFFAOYSA-N 1 2 245.326 3.055 20 0 BGADLO CSc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000571703024 323467374 /nfs/dbraw/zinc/46/73/74/323467374.db2.gz VMNFXJOFARLGRX-UHFFFAOYSA-N 1 2 247.367 3.361 20 0 BGADLO Cc1cccc(CCSCCC2CC2)[nH+]1 ZINC000571800722 387174426 /nfs/dbraw/zinc/17/44/26/387174426.db2.gz JXBHYOIGEDHAEI-UHFFFAOYSA-N 1 2 221.369 3.466 20 0 BGADLO Fc1ccc([C@H]2CCC[C@H]2Nc2c[nH]c[nH+]2)cc1 ZINC000571848416 387183446 /nfs/dbraw/zinc/18/34/46/387183446.db2.gz SLYLVEORPDTFDF-CHWSQXEVSA-N 1 2 245.301 3.297 20 0 BGADLO Fc1ccc([C@H]2CCC[C@@H]2Nc2c[nH]c[nH+]2)cc1 ZINC000571848417 387183903 /nfs/dbraw/zinc/18/39/03/387183903.db2.gz SLYLVEORPDTFDF-OLZOCXBDSA-N 1 2 245.301 3.297 20 0 BGADLO Fc1ccc([C@@H]2CCC[C@H]2Nc2c[nH]c[nH+]2)cc1 ZINC000571848418 323492093 /nfs/dbraw/zinc/49/20/93/323492093.db2.gz SLYLVEORPDTFDF-QWHCGFSZSA-N 1 2 245.301 3.297 20 0 BGADLO Fc1ccc([C@@H]2CCC[C@@H]2Nc2c[nH]c[nH+]2)cc1 ZINC000571848419 323492065 /nfs/dbraw/zinc/49/20/65/323492065.db2.gz SLYLVEORPDTFDF-STQMWFEESA-N 1 2 245.301 3.297 20 0 BGADLO CCOc1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000571897611 323501540 /nfs/dbraw/zinc/50/15/40/323501540.db2.gz VREWIXXOODJXAW-UHFFFAOYSA-N 1 2 245.326 3.037 20 0 BGADLO C[C@@H]1[C@H](Nc2c[nH]c[nH+]2)C[C@H]1c1ccccc1 ZINC000571935080 387201143 /nfs/dbraw/zinc/20/11/43/387201143.db2.gz WKIRGOAMROPALB-CYZMBNFOSA-N 1 2 227.311 3.014 20 0 BGADLO C[C@@H]1[C@@H](Nc2c[nH]c[nH+]2)C[C@@H]1c1ccccc1 ZINC000571935089 387200674 /nfs/dbraw/zinc/20/06/74/387200674.db2.gz WKIRGOAMROPALB-DRZSPHRISA-N 1 2 227.311 3.014 20 0 BGADLO C[C@H]1[C@H](c2ccccc2)C[C@@H]1Nc1c[nH]c[nH+]1 ZINC000571935091 323505283 /nfs/dbraw/zinc/50/52/83/323505283.db2.gz WKIRGOAMROPALB-UHTWSYAYSA-N 1 2 227.311 3.014 20 0 BGADLO C[C@@H]1[C@H](Nc2c[nH]c[nH+]2)C[C@@H]1c1ccccc1 ZINC000571935092 387200957 /nfs/dbraw/zinc/20/09/57/387200957.db2.gz WKIRGOAMROPALB-WCFLWFBJSA-N 1 2 227.311 3.014 20 0 BGADLO CC(F)(F)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000571978434 387212717 /nfs/dbraw/zinc/21/27/17/387212717.db2.gz KUNFQPHKVUJHNS-UHFFFAOYSA-N 1 2 225.282 3.309 20 0 BGADLO COCCCCSCCc1cccc(C)[nH+]1 ZINC000572121583 323543261 /nfs/dbraw/zinc/54/32/61/323543261.db2.gz CPQDFLCZFZGRKB-UHFFFAOYSA-N 1 2 239.384 3.092 20 0 BGADLO COCCOc1cc(C)ccc1[NH2+]CC1(C)CC1 ZINC000572191544 323562382 /nfs/dbraw/zinc/56/23/82/323562382.db2.gz MCOVSIDOXRHTEU-UHFFFAOYSA-N 1 2 249.354 3.232 20 0 BGADLO Cc1cccc(CCSCCCCF)[nH+]1 ZINC000572243216 387286120 /nfs/dbraw/zinc/28/61/20/387286120.db2.gz QWGWFIVZJIVYDC-UHFFFAOYSA-N 1 2 227.348 3.415 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1ccc2c(c1)COC2 ZINC000572502560 361182916 /nfs/dbraw/zinc/18/29/16/361182916.db2.gz WDURIRJNRKVMMH-SECBINFHSA-N 1 2 241.281 3.023 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1ccc2c(c1)COC2 ZINC000572502561 361182935 /nfs/dbraw/zinc/18/29/35/361182935.db2.gz WDURIRJNRKVMMH-VIFPVBQESA-N 1 2 241.281 3.023 20 0 BGADLO CSc1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000572663500 326403227 /nfs/dbraw/zinc/40/32/27/326403227.db2.gz QSBFPWHEVPMEHP-UHFFFAOYSA-N 1 2 247.367 3.361 20 0 BGADLO c1[nH]cc(N[C@@H]2CCCC23CCCCC3)[nH+]1 ZINC000572691529 326404385 /nfs/dbraw/zinc/40/43/85/326404385.db2.gz BBYLZENZEADYCP-LLVKDONJSA-N 1 2 219.332 3.325 20 0 BGADLO c1[nH]cc(N[C@H]2CCCC23CCCCC3)[nH+]1 ZINC000572691530 326404447 /nfs/dbraw/zinc/40/44/47/326404447.db2.gz BBYLZENZEADYCP-NSHDSACASA-N 1 2 219.332 3.325 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@@H]1C[C@H]1c1ccccc1 ZINC000572899820 388386092 /nfs/dbraw/zinc/38/60/92/388386092.db2.gz MMNRBGURCWEXDS-UONOGXRCSA-N 1 2 239.322 3.061 20 0 BGADLO FC[C@H]1CCCN1c1[nH+]ccc2cc(F)ccc21 ZINC000572995520 388403794 /nfs/dbraw/zinc/40/37/94/388403794.db2.gz HOSSEANBECKUHJ-GFCCVEGCSA-N 1 2 248.276 3.312 20 0 BGADLO FC[C@@H]1CCCN1c1[nH+]ccc2cc(F)ccc21 ZINC000572995521 388403527 /nfs/dbraw/zinc/40/35/27/388403527.db2.gz HOSSEANBECKUHJ-LBPRGKRZSA-N 1 2 248.276 3.312 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CC=C(C(C)(C)C)CC1 ZINC000573138148 326431954 /nfs/dbraw/zinc/43/19/54/326431954.db2.gz DXVCEYLKKYGUAO-UHFFFAOYSA-N 1 2 245.370 3.276 20 0 BGADLO COc1ccc([C@@H](C)[NH2+]CC(C)(F)F)c(F)c1 ZINC000573226386 326436802 /nfs/dbraw/zinc/43/68/02/326436802.db2.gz CRACKFZKIAOPKB-MRVPVSSYSA-N 1 2 247.260 3.140 20 0 BGADLO COc1ccc([C@H](C)[NH2+]CC(C)(F)F)c(F)c1 ZINC000573226387 388433839 /nfs/dbraw/zinc/43/38/39/388433839.db2.gz CRACKFZKIAOPKB-QMMMGPOBSA-N 1 2 247.260 3.140 20 0 BGADLO FC1(C[NH+](Cc2ccco2)Cc2ccco2)CC1 ZINC000573268367 326438817 /nfs/dbraw/zinc/43/88/17/326438817.db2.gz UNKLRZIRLMUUBA-UHFFFAOYSA-N 1 2 249.285 3.377 20 0 BGADLO Cc1nc2[nH]ccc2c(NC(C)(C)C(C)C)[nH+]1 ZINC000573329330 364801339 /nfs/dbraw/zinc/80/13/39/364801339.db2.gz PVCVQWGMHJDVBA-UHFFFAOYSA-N 1 2 232.331 3.113 20 0 BGADLO CC(F)(F)C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000573393247 364823388 /nfs/dbraw/zinc/82/33/88/364823388.db2.gz VWXLBRSEYCGKKE-IHWYPQMZSA-N 1 2 247.235 3.223 20 0 BGADLO CC(F)(F)C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000573393249 364822999 /nfs/dbraw/zinc/82/29/99/364822999.db2.gz VWXLBRSEYCGKKE-NSCUHMNNSA-N 1 2 247.235 3.223 20 0 BGADLO Cc1cccc(CCSCC(C)C)[nH+]1 ZINC000573609037 364874075 /nfs/dbraw/zinc/87/40/75/364874075.db2.gz PYLBXJHLSOQZQS-UHFFFAOYSA-N 1 2 209.358 3.322 20 0 BGADLO Cc1[nH]c(CNc2ccccc2Cl)[nH+]c1C ZINC000573625434 364878795 /nfs/dbraw/zinc/87/87/95/364878795.db2.gz IWBGOPZOBQPXJA-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO Cc1cc(N2CCCC2(C)C)nc(C2CC2)[nH+]1 ZINC000573859154 364932409 /nfs/dbraw/zinc/93/24/09/364932409.db2.gz FRGWMYAERORPEF-UHFFFAOYSA-N 1 2 231.343 3.041 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@H]1C[C@H]1c1ccccc1 ZINC000573981304 364959794 /nfs/dbraw/zinc/95/97/94/364959794.db2.gz MMNRBGURCWEXDS-KBPBESRZSA-N 1 2 239.322 3.061 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@H]1C[C@@H]1c1ccccc1 ZINC000573981305 364961380 /nfs/dbraw/zinc/96/13/80/364961380.db2.gz MMNRBGURCWEXDS-KGLIPLIRSA-N 1 2 239.322 3.061 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@@H]1C[C@@H]1c1ccccc1 ZINC000573981306 364962025 /nfs/dbraw/zinc/96/20/25/364962025.db2.gz MMNRBGURCWEXDS-ZIAGYGMSSA-N 1 2 239.322 3.061 20 0 BGADLO F[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000574213061 365011639 /nfs/dbraw/zinc/01/16/39/365011639.db2.gz XQLQXNMTQOATBE-GFCCVEGCSA-N 1 2 227.710 3.274 20 0 BGADLO F[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000574213061 365011636 /nfs/dbraw/zinc/01/16/36/365011636.db2.gz XQLQXNMTQOATBE-GFCCVEGCSA-N 1 2 227.710 3.274 20 0 BGADLO F[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000574213062 365011925 /nfs/dbraw/zinc/01/19/25/365011925.db2.gz XQLQXNMTQOATBE-LBPRGKRZSA-N 1 2 227.710 3.274 20 0 BGADLO F[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000574213062 365011921 /nfs/dbraw/zinc/01/19/21/365011921.db2.gz XQLQXNMTQOATBE-LBPRGKRZSA-N 1 2 227.710 3.274 20 0 BGADLO COc1cccc2c(NC[C@H]3C[C@H]3C)cc[nH+]c12 ZINC000574330017 365037897 /nfs/dbraw/zinc/03/78/97/365037897.db2.gz MNAGPAUZGZHWFD-GHMZBOCLSA-N 1 2 242.322 3.311 20 0 BGADLO COc1cccc2c(NC[C@@H]3C[C@H]3C)cc[nH+]c12 ZINC000574330019 365037955 /nfs/dbraw/zinc/03/79/55/365037955.db2.gz MNAGPAUZGZHWFD-MNOVXSKESA-N 1 2 242.322 3.311 20 0 BGADLO COc1cccc2c(NC[C@@H]3C[C@@H]3C)cc[nH+]c12 ZINC000574330110 365038231 /nfs/dbraw/zinc/03/82/31/365038231.db2.gz MNAGPAUZGZHWFD-QWRGUYRKSA-N 1 2 242.322 3.311 20 0 BGADLO COc1cccc2c(NC[C@H]3C[C@@H]3C)cc[nH+]c12 ZINC000574330112 365038579 /nfs/dbraw/zinc/03/85/79/365038579.db2.gz MNAGPAUZGZHWFD-WDEREUQCSA-N 1 2 242.322 3.311 20 0 BGADLO COC[C@H](C)C[N@H+]1CCCCc2ccccc21 ZINC000574439054 365061653 /nfs/dbraw/zinc/06/16/53/365061653.db2.gz PXADWWKGVLRLBT-CYBMUJFWSA-N 1 2 233.355 3.112 20 0 BGADLO COC[C@H](C)C[N@@H+]1CCCCc2ccccc21 ZINC000574439054 365061647 /nfs/dbraw/zinc/06/16/47/365061647.db2.gz PXADWWKGVLRLBT-CYBMUJFWSA-N 1 2 233.355 3.112 20 0 BGADLO COC[C@@H](C)C[N@H+]1CCCCc2ccccc21 ZINC000574439056 365061714 /nfs/dbraw/zinc/06/17/14/365061714.db2.gz PXADWWKGVLRLBT-ZDUSSCGKSA-N 1 2 233.355 3.112 20 0 BGADLO COC[C@@H](C)C[N@@H+]1CCCCc2ccccc21 ZINC000574439056 365061710 /nfs/dbraw/zinc/06/17/10/365061710.db2.gz PXADWWKGVLRLBT-ZDUSSCGKSA-N 1 2 233.355 3.112 20 0 BGADLO CC1(C[N@H+]2CCn3c(cc4ccccc43)C2)CC1 ZINC000574450706 365063502 /nfs/dbraw/zinc/06/35/02/365063502.db2.gz PQXMNZCTZMWACM-UHFFFAOYSA-N 1 2 240.350 3.257 20 0 BGADLO CC1(C[N@@H+]2CCn3c(cc4ccccc43)C2)CC1 ZINC000574450706 365063498 /nfs/dbraw/zinc/06/34/98/365063498.db2.gz PQXMNZCTZMWACM-UHFFFAOYSA-N 1 2 240.350 3.257 20 0 BGADLO CCC[C@](C)(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000574452132 365064739 /nfs/dbraw/zinc/06/47/39/365064739.db2.gz FPXUYGCVULLSRN-HNNXBMFYSA-N 1 2 248.370 3.275 20 0 BGADLO CCC[C@@](C)(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000574452136 365065413 /nfs/dbraw/zinc/06/54/13/365065413.db2.gz FPXUYGCVULLSRN-OAHLLOKOSA-N 1 2 248.370 3.275 20 0 BGADLO CSc1ccccc1C[C@H](C)Nc1c[nH]c[nH+]1 ZINC000574711389 365127445 /nfs/dbraw/zinc/12/74/45/365127445.db2.gz YZBNQKXKRGOZDQ-JTQLQIEISA-N 1 2 247.367 3.175 20 0 BGADLO CSc1ccccc1C[C@@H](C)Nc1c[nH]c[nH+]1 ZINC000574711390 365127881 /nfs/dbraw/zinc/12/78/81/365127881.db2.gz YZBNQKXKRGOZDQ-SNVBAGLBSA-N 1 2 247.367 3.175 20 0 BGADLO Cc1[nH+]cccc1NCC1Cc2ccccc2C1 ZINC000574733009 365130947 /nfs/dbraw/zinc/13/09/47/365130947.db2.gz ZHXOOBYTRDBPRS-UHFFFAOYSA-N 1 2 238.334 3.217 20 0 BGADLO Cc1ccc(CC[C@@H](C)Nc2c[nH]c[nH+]2)cc1 ZINC000574733320 365130900 /nfs/dbraw/zinc/13/09/00/365130900.db2.gz YMUWETLESYQYRT-GFCCVEGCSA-N 1 2 229.327 3.151 20 0 BGADLO Cc1ccc(CC[C@H](C)Nc2c[nH]c[nH+]2)cc1 ZINC000574733321 365131533 /nfs/dbraw/zinc/13/15/33/365131533.db2.gz YMUWETLESYQYRT-LBPRGKRZSA-N 1 2 229.327 3.151 20 0 BGADLO CC(C)COc1ccccc1CNc1c[nH]c[nH+]1 ZINC000575208192 365243549 /nfs/dbraw/zinc/24/35/49/365243549.db2.gz MGUYOIKNRGRACU-UHFFFAOYSA-N 1 2 245.326 3.057 20 0 BGADLO Cc1[nH]c(CNc2cccc(Cl)c2)[nH+]c1C ZINC000575331462 365292465 /nfs/dbraw/zinc/29/24/65/365292465.db2.gz WXZMFQNJZRWSJQ-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO Clc1cccc(C[NH+]2CC=CC2)c1Cl ZINC000575433638 398327723 /nfs/dbraw/zinc/32/77/23/398327723.db2.gz AFHDJEQURDSXAU-UHFFFAOYSA-N 1 2 228.122 3.365 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CCCCC(C)(C)C1 ZINC000575761433 365356405 /nfs/dbraw/zinc/35/64/05/365356405.db2.gz AOEZHQBKGKXXSJ-UHFFFAOYSA-N 1 2 233.359 3.110 20 0 BGADLO COc1ccc[nH+]c1NC1CCC2(CC2)CC1 ZINC000575930365 365418099 /nfs/dbraw/zinc/41/80/99/365418099.db2.gz QDHXFLHMBGZRCI-UHFFFAOYSA-N 1 2 232.327 3.225 20 0 BGADLO Cc1[nH]c(CNc2cc(C)cc(C)c2)[nH+]c1C ZINC000575935768 365422043 /nfs/dbraw/zinc/42/20/43/365422043.db2.gz CXAQPJYBSHVDDO-UHFFFAOYSA-N 1 2 229.327 3.255 20 0 BGADLO CC1(CNc2ccc3c(c2)CCC[NH2+]3)CC1 ZINC000575970409 365430063 /nfs/dbraw/zinc/43/00/63/365430063.db2.gz PTDMSJIETDAJAQ-UHFFFAOYSA-N 1 2 216.328 3.257 20 0 BGADLO Fc1ccc(C[N@@H+]2CCC[C@@H](F)C2)c(Cl)c1 ZINC000575994682 365440241 /nfs/dbraw/zinc/44/02/41/365440241.db2.gz SGKQWLAMYQTRNL-LLVKDONJSA-N 1 2 245.700 3.413 20 0 BGADLO Fc1ccc(C[N@H+]2CCC[C@@H](F)C2)c(Cl)c1 ZINC000575994682 365440239 /nfs/dbraw/zinc/44/02/39/365440239.db2.gz SGKQWLAMYQTRNL-LLVKDONJSA-N 1 2 245.700 3.413 20 0 BGADLO Fc1ccc(C[N@@H+]2CCC[C@H](F)C2)c(Cl)c1 ZINC000575994683 365440779 /nfs/dbraw/zinc/44/07/79/365440779.db2.gz SGKQWLAMYQTRNL-NSHDSACASA-N 1 2 245.700 3.413 20 0 BGADLO Fc1ccc(C[N@H+]2CCC[C@H](F)C2)c(Cl)c1 ZINC000575994683 365440773 /nfs/dbraw/zinc/44/07/73/365440773.db2.gz SGKQWLAMYQTRNL-NSHDSACASA-N 1 2 245.700 3.413 20 0 BGADLO CCc1oc2ccccc2c1CNc1c[nH]c[nH+]1 ZINC000576079870 365476765 /nfs/dbraw/zinc/47/67/65/365476765.db2.gz BDQDWXMWIPTNBD-UHFFFAOYSA-N 1 2 241.294 3.330 20 0 BGADLO CCc1cccc(C[NH2+]C2(C(F)F)CC2)c1 ZINC000576232272 365531424 /nfs/dbraw/zinc/53/14/24/365531424.db2.gz KVJIKHUQSCIBIN-UHFFFAOYSA-N 1 2 225.282 3.136 20 0 BGADLO Cc1cccc(CC[C@@H](C)Nc2c[nH]c[nH+]2)c1 ZINC000576273273 365545351 /nfs/dbraw/zinc/54/53/51/365545351.db2.gz NVNNAPMTFIRKHG-GFCCVEGCSA-N 1 2 229.327 3.151 20 0 BGADLO Cc1cccc(CC[C@H](C)Nc2c[nH]c[nH+]2)c1 ZINC000576273274 365545747 /nfs/dbraw/zinc/54/57/47/365545747.db2.gz NVNNAPMTFIRKHG-LBPRGKRZSA-N 1 2 229.327 3.151 20 0 BGADLO Cc1ccc(C[NH2+]CC(C)(F)F)c(Cl)c1 ZINC000576284841 365551908 /nfs/dbraw/zinc/55/19/08/365551908.db2.gz LXLRGEKNJOXFMM-UHFFFAOYSA-N 1 2 233.689 3.393 20 0 BGADLO CC1(CNc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000576407667 365587793 /nfs/dbraw/zinc/58/77/93/365587793.db2.gz YVBDZHCEZJFTBK-UHFFFAOYSA-N 1 2 245.370 3.284 20 0 BGADLO FC1(C[N@H+]2CCc3sc(Cl)cc3C2)CC1 ZINC000576519246 365615970 /nfs/dbraw/zinc/61/59/70/365615970.db2.gz DPBQAOJAZNKKNE-UHFFFAOYSA-N 1 2 245.750 3.262 20 0 BGADLO FC1(C[N@@H+]2CCc3sc(Cl)cc3C2)CC1 ZINC000576519246 365615967 /nfs/dbraw/zinc/61/59/67/365615967.db2.gz DPBQAOJAZNKKNE-UHFFFAOYSA-N 1 2 245.750 3.262 20 0 BGADLO Cc1ccc(N[C@@H]2CCCC23CC3)c[nH+]1 ZINC000576530812 365620463 /nfs/dbraw/zinc/62/04/63/365620463.db2.gz UROFRZNCTQIMSC-GFCCVEGCSA-N 1 2 202.301 3.135 20 0 BGADLO Cc1ccc(N[C@H]2CCCC23CC3)c[nH+]1 ZINC000576530820 365620650 /nfs/dbraw/zinc/62/06/50/365620650.db2.gz UROFRZNCTQIMSC-LBPRGKRZSA-N 1 2 202.301 3.135 20 0 BGADLO COc1ccc(C[N@@H+](C)Cc2ccoc2)c(F)c1 ZINC000576760442 365679399 /nfs/dbraw/zinc/67/93/99/365679399.db2.gz OSBHLVVXZQAKBE-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO COc1ccc(C[N@H+](C)Cc2ccoc2)c(F)c1 ZINC000576760442 365679390 /nfs/dbraw/zinc/67/93/90/365679390.db2.gz OSBHLVVXZQAKBE-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO CC[C@@](C)([NH2+]CC1CC(F)(F)C1)C(F)(F)F ZINC000576789700 365684947 /nfs/dbraw/zinc/68/49/47/365684947.db2.gz GPNNAZRHWYFENX-MRVPVSSYSA-N 1 2 245.235 3.352 20 0 BGADLO CC[C@](C)([NH2+]CC1CC(F)(F)C1)C(F)(F)F ZINC000576789701 365684967 /nfs/dbraw/zinc/68/49/67/365684967.db2.gz GPNNAZRHWYFENX-QMMMGPOBSA-N 1 2 245.235 3.352 20 0 BGADLO Cc1cc(F)ccc1COc1cc[nH+]cc1 ZINC000576925783 365722781 /nfs/dbraw/zinc/72/27/81/365722781.db2.gz OXFJJLUUCRAEDG-UHFFFAOYSA-N 1 2 217.243 3.108 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]CC(C)(F)F)cs1 ZINC000577057858 365796376 /nfs/dbraw/zinc/79/63/76/365796376.db2.gz PIMLUGBZJISZBE-MRVPVSSYSA-N 1 2 219.300 3.362 20 0 BGADLO Cc1cc([C@H](C)[NH2+]CC(C)(F)F)cs1 ZINC000577057859 365796458 /nfs/dbraw/zinc/79/64/58/365796458.db2.gz PIMLUGBZJISZBE-QMMMGPOBSA-N 1 2 219.300 3.362 20 0 BGADLO CCc1ccccc1C[N@H+]1Cc2cccnc2C1 ZINC000577173671 365856713 /nfs/dbraw/zinc/85/67/13/365856713.db2.gz VRUUKYDJFBSJGG-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO CCc1ccccc1C[N@@H+]1Cc2cccnc2C1 ZINC000577173671 365856708 /nfs/dbraw/zinc/85/67/08/365856708.db2.gz VRUUKYDJFBSJGG-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO Cc1[nH]c(CNc2cccc(C)c2C)[nH+]c1C ZINC000577191913 365870503 /nfs/dbraw/zinc/87/05/03/365870503.db2.gz AORSOJLHMMHEBE-UHFFFAOYSA-N 1 2 229.327 3.255 20 0 BGADLO CCCCc1nc(C[N@@H+](CCC)C(C)C)no1 ZINC000577230526 365891934 /nfs/dbraw/zinc/89/19/34/365891934.db2.gz PVQFVJUYOUNWRG-UHFFFAOYSA-N 1 2 239.363 3.033 20 0 BGADLO CCCCc1nc(C[N@H+](CCC)C(C)C)no1 ZINC000577230526 365891930 /nfs/dbraw/zinc/89/19/30/365891930.db2.gz PVQFVJUYOUNWRG-UHFFFAOYSA-N 1 2 239.363 3.033 20 0 BGADLO CC(C)COc1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000577252534 365899670 /nfs/dbraw/zinc/89/96/70/365899670.db2.gz NCJOUVRCRIDVHB-UHFFFAOYSA-N 1 2 245.326 3.057 20 0 BGADLO COCC[C@@H](C)SCCc1cccc(C)[nH+]1 ZINC000577610274 366017652 /nfs/dbraw/zinc/01/76/52/366017652.db2.gz AJYHPAPRXFSNRT-GFCCVEGCSA-N 1 2 239.384 3.091 20 0 BGADLO COCC[C@H](C)SCCc1cccc(C)[nH+]1 ZINC000577610275 366017108 /nfs/dbraw/zinc/01/71/08/366017108.db2.gz AJYHPAPRXFSNRT-LBPRGKRZSA-N 1 2 239.384 3.091 20 0 BGADLO Cc1c[nH+]c(CCSCC2CC2)c(C)c1 ZINC000577610888 366017745 /nfs/dbraw/zinc/01/77/45/366017745.db2.gz ZXXZEQSAPHQVEH-UHFFFAOYSA-N 1 2 221.369 3.384 20 0 BGADLO Cc1c[nH+]c(C)nc1N1Cc2ccccc2[C@H]1C ZINC000577768569 366058935 /nfs/dbraw/zinc/05/89/35/366058935.db2.gz HGIDPBPPCJFWFL-LLVKDONJSA-N 1 2 239.322 3.175 20 0 BGADLO Cc1c[nH+]c(C)nc1N1Cc2ccccc2[C@@H]1C ZINC000577768570 366059461 /nfs/dbraw/zinc/05/94/61/366059461.db2.gz HGIDPBPPCJFWFL-NSHDSACASA-N 1 2 239.322 3.175 20 0 BGADLO CC(C)Oc1cccc(C[NH2+]CC(C)(F)F)c1 ZINC000577774363 366060658 /nfs/dbraw/zinc/06/06/58/366060658.db2.gz PHFURAKQHMUBOL-UHFFFAOYSA-N 1 2 243.297 3.219 20 0 BGADLO CC(C)COc1cccc(CNc2c[nH]c[nH+]2)c1 ZINC000577789687 366060544 /nfs/dbraw/zinc/06/05/44/366060544.db2.gz DRRWYDHXPSRXFL-UHFFFAOYSA-N 1 2 245.326 3.057 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCCC[C@H]1C ZINC000578054598 366204179 /nfs/dbraw/zinc/20/41/79/366204179.db2.gz BJLPJSOWDNPZAX-BXKDBHETSA-N 1 2 219.332 3.084 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@H]1CCCC[C@@H]1C ZINC000578054599 366204167 /nfs/dbraw/zinc/20/41/67/366204167.db2.gz BJLPJSOWDNPZAX-CABZTGNLSA-N 1 2 219.332 3.084 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@@H]1CCCC[C@@H]1C ZINC000578054600 366203897 /nfs/dbraw/zinc/20/38/97/366203897.db2.gz BJLPJSOWDNPZAX-JOYOIKCWSA-N 1 2 219.332 3.084 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@H]1CCCC[C@H]1C ZINC000578054601 366204375 /nfs/dbraw/zinc/20/43/75/366204375.db2.gz BJLPJSOWDNPZAX-SKDRFNHKSA-N 1 2 219.332 3.084 20 0 BGADLO Cc1cccc2c1cc[nH+]c2N1C[C@@H](F)[C@@H](F)C1 ZINC000578066708 366215039 /nfs/dbraw/zinc/21/50/39/366215039.db2.gz AYLUCROJCCEIKR-BETUJISGSA-N 1 2 248.276 3.039 20 0 BGADLO CCCCOc1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000578083547 366232941 /nfs/dbraw/zinc/23/29/41/366232941.db2.gz KRDHDQDGUPOHIK-UHFFFAOYSA-N 1 2 245.326 3.201 20 0 BGADLO Cc1cc(NC2(CF)CCC2)nc(C(C)C)[nH+]1 ZINC000578189592 366372905 /nfs/dbraw/zinc/37/29/05/366372905.db2.gz WZKSMIHZXXIUEZ-UHFFFAOYSA-N 1 2 237.322 3.213 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@H+]1Cc2cccnc2C1 ZINC000578437417 344883302 /nfs/dbraw/zinc/88/33/02/344883302.db2.gz KCSSHXJVLFSTFX-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@@H+]1Cc2cccnc2C1 ZINC000578437417 344883299 /nfs/dbraw/zinc/88/32/99/344883299.db2.gz KCSSHXJVLFSTFX-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@H+]1Cc2cccnc2C1 ZINC000578437418 344883752 /nfs/dbraw/zinc/88/37/52/344883752.db2.gz KCSSHXJVLFSTFX-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1Cc2cccnc2C1 ZINC000578437418 344883750 /nfs/dbraw/zinc/88/37/50/344883750.db2.gz KCSSHXJVLFSTFX-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO CC[C@H](CC(C)C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000578484428 366577966 /nfs/dbraw/zinc/57/79/66/366577966.db2.gz KWQCHEZCVXILFM-CYBMUJFWSA-N 1 2 248.370 3.131 20 0 BGADLO CC[C@@H](CC(C)C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000578484429 366574469 /nfs/dbraw/zinc/57/44/69/366574469.db2.gz KWQCHEZCVXILFM-ZDUSSCGKSA-N 1 2 248.370 3.131 20 0 BGADLO CC(C)C[C@@H]([NH2+]CC(C)(F)F)c1ccccn1 ZINC000578557844 366598343 /nfs/dbraw/zinc/59/83/43/366598343.db2.gz PDOICWNSODKHIK-GFCCVEGCSA-N 1 2 242.313 3.414 20 0 BGADLO CC(C)C[C@H]([NH2+]CC(C)(F)F)c1ccccn1 ZINC000578557845 366598355 /nfs/dbraw/zinc/59/83/55/366598355.db2.gz PDOICWNSODKHIK-LBPRGKRZSA-N 1 2 242.313 3.414 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NC1CC(F)(F)C1 ZINC000578593787 366602751 /nfs/dbraw/zinc/60/27/51/366602751.db2.gz QMQJEPVAVMBYDO-UHFFFAOYSA-N 1 2 248.276 3.175 20 0 BGADLO Cc1ccc(CN(C)c2nc(C)[nH+]cc2C)s1 ZINC000578643062 366618216 /nfs/dbraw/zinc/61/82/16/366618216.db2.gz LUGIZZCHKBUOBB-UHFFFAOYSA-N 1 2 247.367 3.100 20 0 BGADLO CCc1cccc(C[NH2+][C@@H](C)C(C)(F)F)c1 ZINC000578754739 366638970 /nfs/dbraw/zinc/63/89/70/366638970.db2.gz KSZGOLIGCXVYGO-JTQLQIEISA-N 1 2 227.298 3.382 20 0 BGADLO CCc1cccc(C[NH2+][C@H](C)C(C)(F)F)c1 ZINC000578754740 366639739 /nfs/dbraw/zinc/63/97/39/366639739.db2.gz KSZGOLIGCXVYGO-SNVBAGLBSA-N 1 2 227.298 3.382 20 0 BGADLO Cc1[nH]c(CNc2ccc(Cl)cc2)[nH+]c1C ZINC000578766938 366644754 /nfs/dbraw/zinc/64/47/54/366644754.db2.gz LTEDNUDAVCOVNQ-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO CCc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000578787659 366650628 /nfs/dbraw/zinc/65/06/28/366650628.db2.gz WSTFGNDPNZLFGA-UHFFFAOYSA-N 1 2 229.327 3.201 20 0 BGADLO Cc1nc2[nH]ccc2c(NC2(C3(C)CC3)CC2)[nH+]1 ZINC000578834975 366655925 /nfs/dbraw/zinc/65/59/25/366655925.db2.gz OTPHZCNABBXHLD-UHFFFAOYSA-N 1 2 242.326 3.011 20 0 BGADLO CCOCCSCCc1[nH+]cc(C)cc1C ZINC000578890492 366669086 /nfs/dbraw/zinc/66/90/86/366669086.db2.gz PWJLLOCNFSYIFV-UHFFFAOYSA-N 1 2 239.384 3.011 20 0 BGADLO CC[C@H](CSCCc1cccc(C)[nH+]1)OC ZINC000578892516 366670231 /nfs/dbraw/zinc/67/02/31/366670231.db2.gz YNXXZCZLYHCIPP-CYBMUJFWSA-N 1 2 239.384 3.091 20 0 BGADLO CC[C@@H](CSCCc1cccc(C)[nH+]1)OC ZINC000578892517 366670023 /nfs/dbraw/zinc/67/00/23/366670023.db2.gz YNXXZCZLYHCIPP-ZDUSSCGKSA-N 1 2 239.384 3.091 20 0 BGADLO Cc1ccc2[nH]c(CNc3c[nH]c[nH+]3)cc2c1C ZINC000578926295 366675434 /nfs/dbraw/zinc/67/54/34/366675434.db2.gz FMMXWXHWGCONFJ-UHFFFAOYSA-N 1 2 240.310 3.120 20 0 BGADLO C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)C(C)(F)F ZINC000579074621 366704967 /nfs/dbraw/zinc/70/49/67/366704967.db2.gz XYLNJJCHURSSGE-SSDOTTSWSA-N 1 2 246.326 3.154 20 0 BGADLO C[C@H]([NH2+]Cc1cnc(C2CC2)s1)C(C)(F)F ZINC000579074622 366704640 /nfs/dbraw/zinc/70/46/40/366704640.db2.gz XYLNJJCHURSSGE-ZETCQYMHSA-N 1 2 246.326 3.154 20 0 BGADLO CCc1cccc(NCc2[nH]c(C)c(C)[nH+]2)c1 ZINC000579131108 366722393 /nfs/dbraw/zinc/72/23/93/366722393.db2.gz ZZLOYQLLAFBZKQ-UHFFFAOYSA-N 1 2 229.327 3.201 20 0 BGADLO c1[nH]cc(NCc2cccc3ccccc32)[nH+]1 ZINC000579173665 366727027 /nfs/dbraw/zinc/72/70/27/366727027.db2.gz DDUFPFHWXKAADM-UHFFFAOYSA-N 1 2 223.279 3.175 20 0 BGADLO c1cc([NH2+]C(C2CC2)C2CC2)cc2c1NCC2 ZINC000579225204 366737294 /nfs/dbraw/zinc/73/72/94/366737294.db2.gz WDENVKDEGSTCEX-UHFFFAOYSA-N 1 2 228.339 3.255 20 0 BGADLO CCN(CC)c1ccc(NCC2(C)CC2)c[nH+]1 ZINC000579424481 366779484 /nfs/dbraw/zinc/77/94/84/366779484.db2.gz IMRAGZHQFPTNDX-UHFFFAOYSA-N 1 2 233.359 3.140 20 0 BGADLO Cc1ccc(C[N@H+]2Cc3cccnc3C2)cc1C ZINC000579704981 366985050 /nfs/dbraw/zinc/98/50/50/366985050.db2.gz GGMOTHRZABCDQA-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO Cc1ccc(C[N@@H+]2Cc3cccnc3C2)cc1C ZINC000579704981 366985043 /nfs/dbraw/zinc/98/50/43/366985043.db2.gz GGMOTHRZABCDQA-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO FC(F)(F)c1cccc(CNc2c[nH]c[nH+]2)c1 ZINC000579799289 367010838 /nfs/dbraw/zinc/01/08/38/367010838.db2.gz QRIFBPPCPWNXAF-UHFFFAOYSA-N 1 2 241.216 3.041 20 0 BGADLO Cc1c[nH+]cc(NCC2Cc3ccccc3C2)c1 ZINC000579895378 367062897 /nfs/dbraw/zinc/06/28/97/367062897.db2.gz QZXTYSPUDWHOBM-UHFFFAOYSA-N 1 2 238.334 3.217 20 0 BGADLO CC(=O)[C@H](Sc1[nH+]cc2ccccn21)C(C)C ZINC000579956945 345221581 /nfs/dbraw/zinc/22/15/81/345221581.db2.gz XWCZEWZHWQQWNR-GFCCVEGCSA-N 1 2 248.351 3.040 20 0 BGADLO CC(=O)[C@@H](Sc1[nH+]cc2ccccn21)C(C)C ZINC000579956946 345222366 /nfs/dbraw/zinc/22/23/66/345222366.db2.gz XWCZEWZHWQQWNR-LBPRGKRZSA-N 1 2 248.351 3.040 20 0 BGADLO CCCc1csc(C[N@H+]2CCC[C@H](F)C2)n1 ZINC000579961009 367103848 /nfs/dbraw/zinc/10/38/48/367103848.db2.gz YYASPBXNTUSJLZ-JTQLQIEISA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1csc(C[N@@H+]2CCC[C@H](F)C2)n1 ZINC000579961009 367103845 /nfs/dbraw/zinc/10/38/45/367103845.db2.gz YYASPBXNTUSJLZ-JTQLQIEISA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1csc(C[N@H+]2CCC[C@@H](F)C2)n1 ZINC000579961010 367103489 /nfs/dbraw/zinc/10/34/89/367103489.db2.gz YYASPBXNTUSJLZ-SNVBAGLBSA-N 1 2 242.363 3.030 20 0 BGADLO CCCc1csc(C[N@@H+]2CCC[C@@H](F)C2)n1 ZINC000579961010 367103483 /nfs/dbraw/zinc/10/34/83/367103483.db2.gz YYASPBXNTUSJLZ-SNVBAGLBSA-N 1 2 242.363 3.030 20 0 BGADLO Cc1[nH]c(CNc2ccc(F)cc2C)[nH+]c1C ZINC000579973565 367111120 /nfs/dbraw/zinc/11/11/20/367111120.db2.gz CIEYHLVGRUXELM-UHFFFAOYSA-N 1 2 233.290 3.086 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CC[C@H](C2CCCC2)C1 ZINC000579979004 367114450 /nfs/dbraw/zinc/11/44/50/367114450.db2.gz MVJQXXZISYAVQE-AWEZNQCLSA-N 1 2 245.370 3.110 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CC[C@@H](C2CCCC2)C1 ZINC000579979005 367113864 /nfs/dbraw/zinc/11/38/64/367113864.db2.gz MVJQXXZISYAVQE-CQSZACIVSA-N 1 2 245.370 3.110 20 0 BGADLO Cc1cc(C)c(NC(=O)NC2(C)CCC2)c(C)[nH+]1 ZINC000580031702 367143495 /nfs/dbraw/zinc/14/34/95/367143495.db2.gz LJCWFRCIOVLNGS-UHFFFAOYSA-N 1 2 247.342 3.071 20 0 BGADLO CO[C@H](C)CSCCc1[nH+]cc(C)cc1C ZINC000580193208 346647423 /nfs/dbraw/zinc/64/74/23/346647423.db2.gz OCELTEBPLMZQLI-GFCCVEGCSA-N 1 2 239.384 3.009 20 0 BGADLO CO[C@@H](C)CSCCc1[nH+]cc(C)cc1C ZINC000580193209 346647278 /nfs/dbraw/zinc/64/72/78/346647278.db2.gz OCELTEBPLMZQLI-LBPRGKRZSA-N 1 2 239.384 3.009 20 0 BGADLO CC[C@H](CC(F)(F)F)Nc1nc(C)[nH+]cc1C ZINC000580216120 346701081 /nfs/dbraw/zinc/70/10/81/346701081.db2.gz NZDYFKIHULKKSD-SECBINFHSA-N 1 2 247.264 3.236 20 0 BGADLO CC[C@@H](CC(F)(F)F)Nc1nc(C)[nH+]cc1C ZINC000580216121 346700754 /nfs/dbraw/zinc/70/07/54/346700754.db2.gz NZDYFKIHULKKSD-VIFPVBQESA-N 1 2 247.264 3.236 20 0 BGADLO FC1(C[NH+]2CC(c3cccc(Cl)c3)C2)CC1 ZINC000580276915 346832298 /nfs/dbraw/zinc/83/22/98/346832298.db2.gz HQYACAJPNJLNDW-UHFFFAOYSA-N 1 2 239.721 3.241 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CCCC(C)(C)CC1 ZINC000580345538 353778790 /nfs/dbraw/zinc/77/87/90/353778790.db2.gz LIDLFMPRLNKDPA-UHFFFAOYSA-N 1 2 233.359 3.110 20 0 BGADLO Cc1ccc(CN(C)c2nc(C)[nH+]cc2C)cc1 ZINC000580417686 358520567 /nfs/dbraw/zinc/52/05/67/358520567.db2.gz WGKDEJYTQJCILV-UHFFFAOYSA-N 1 2 241.338 3.038 20 0 BGADLO Cc1oc2ccccc2c1CNc1c[nH]c[nH+]1 ZINC000580658670 365856045 /nfs/dbraw/zinc/85/60/45/365856045.db2.gz HAYNNZIXHODTQA-UHFFFAOYSA-N 1 2 227.267 3.076 20 0 BGADLO CC[C@H](Cc1ccc(C)cc1)Nc1c[nH]c[nH+]1 ZINC000580659706 365855599 /nfs/dbraw/zinc/85/55/99/365855599.db2.gz RAYFBRKMZNAKAN-CYBMUJFWSA-N 1 2 229.327 3.151 20 0 BGADLO CC[C@@H](Cc1ccc(C)cc1)Nc1c[nH]c[nH+]1 ZINC000580659708 365856164 /nfs/dbraw/zinc/85/61/64/365856164.db2.gz RAYFBRKMZNAKAN-ZDUSSCGKSA-N 1 2 229.327 3.151 20 0 BGADLO Cc1nsc(C)c1C[NH+]1Cc2ccccc2C1 ZINC000580782198 367164738 /nfs/dbraw/zinc/16/47/38/367164738.db2.gz XZOOBIWANBTBDW-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO FC(F)(F)C1C[NH+](C/C=C\c2ccccc2)C1 ZINC000580860084 367189983 /nfs/dbraw/zinc/18/99/83/367189983.db2.gz NAIFWCPQNOMYHN-DAXSKMNVSA-N 1 2 241.256 3.194 20 0 BGADLO FC(F)(F)C1C[NH+](C/C=C/c2ccccc2)C1 ZINC000580860085 367189468 /nfs/dbraw/zinc/18/94/68/367189468.db2.gz NAIFWCPQNOMYHN-QPJJXVBHSA-N 1 2 241.256 3.194 20 0 BGADLO CCC1(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000580874328 367193488 /nfs/dbraw/zinc/19/34/88/367193488.db2.gz XFGRHWZIPPERKQ-UHFFFAOYSA-N 1 2 231.343 3.018 20 0 BGADLO C/C=C\c1ccc(N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000580934266 367208559 /nfs/dbraw/zinc/20/85/59/367208559.db2.gz DRJJTARQUOYALT-PYLYLYNFSA-N 1 2 239.322 3.473 20 0 BGADLO C/C=C\c1ccc(N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000580934269 367208811 /nfs/dbraw/zinc/20/88/11/367208811.db2.gz DRJJTARQUOYALT-SFAKSCPVSA-N 1 2 239.322 3.473 20 0 BGADLO c1ccc2c(c1)CCCC[N@@H+]2CC[C@H]1CCOC1 ZINC000580959152 367218301 /nfs/dbraw/zinc/21/83/01/367218301.db2.gz PBIYFJBKVYMTAK-AWEZNQCLSA-N 1 2 245.366 3.256 20 0 BGADLO c1ccc2c(c1)CCCC[N@H+]2CC[C@H]1CCOC1 ZINC000580959152 367218298 /nfs/dbraw/zinc/21/82/98/367218298.db2.gz PBIYFJBKVYMTAK-AWEZNQCLSA-N 1 2 245.366 3.256 20 0 BGADLO c1ccc2c(c1)CCCC[N@@H+]2CC[C@@H]1CCOC1 ZINC000580959153 367218426 /nfs/dbraw/zinc/21/84/26/367218426.db2.gz PBIYFJBKVYMTAK-CQSZACIVSA-N 1 2 245.366 3.256 20 0 BGADLO c1ccc2c(c1)CCCC[N@H+]2CC[C@@H]1CCOC1 ZINC000580959153 367218422 /nfs/dbraw/zinc/21/84/22/367218422.db2.gz PBIYFJBKVYMTAK-CQSZACIVSA-N 1 2 245.366 3.256 20 0 BGADLO Cc1[nH]ncc1C[NH+]1CCC(C)(CC(C)C)CC1 ZINC000581099939 388571470 /nfs/dbraw/zinc/57/14/70/388571470.db2.gz OFQHOBZLODMHNR-UHFFFAOYSA-N 1 2 249.402 3.366 20 0 BGADLO Fc1ccc2c(cc[nH+]c2N2CCCCC2)c1 ZINC000581307055 367335367 /nfs/dbraw/zinc/33/53/67/367335367.db2.gz CLQDPYMSJOYDPV-UHFFFAOYSA-N 1 2 230.286 3.364 20 0 BGADLO Clc1oc2ccccc2c1CNc1c[nH]c[nH+]1 ZINC000581460950 367482576 /nfs/dbraw/zinc/48/25/76/367482576.db2.gz PPPJYMBBAPFARP-UHFFFAOYSA-N 1 2 247.685 3.421 20 0 BGADLO C[C@H]1CCCN1c1[nH+]ccc2cc(F)ccc21 ZINC000581485335 367516441 /nfs/dbraw/zinc/51/64/41/367516441.db2.gz LUNUPSIPQYEMDC-JTQLQIEISA-N 1 2 230.286 3.363 20 0 BGADLO C[C@@H]1CCCN1c1[nH+]ccc2cc(F)ccc21 ZINC000581485336 367516393 /nfs/dbraw/zinc/51/63/93/367516393.db2.gz LUNUPSIPQYEMDC-SNVBAGLBSA-N 1 2 230.286 3.363 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CCC2(C1)CCCCC2 ZINC000581578803 367602852 /nfs/dbraw/zinc/60/28/52/367602852.db2.gz UORKLOPLLXGMFE-UHFFFAOYSA-N 1 2 245.370 3.254 20 0 BGADLO c1nc(C2CCCC2)sc1CNc1c[nH]c[nH+]1 ZINC000581639651 367644452 /nfs/dbraw/zinc/64/44/52/367644452.db2.gz YRZAMCRUUAVMBT-UHFFFAOYSA-N 1 2 248.355 3.136 20 0 BGADLO C[C@@H](Nc1c[nH]c[nH+]1)[C@@H]1CCCC[C@H]1C ZINC000581706803 367739334 /nfs/dbraw/zinc/73/93/34/367739334.db2.gz KGJAZHISPAHGDF-GMTAPVOTSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@@H](Nc1c[nH]c[nH+]1)[C@H]1CCCC[C@H]1C ZINC000581706804 367738596 /nfs/dbraw/zinc/73/85/96/367738596.db2.gz KGJAZHISPAHGDF-MXWKQRLJSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@H](Nc1c[nH]c[nH+]1)[C@@H]1CCCC[C@H]1C ZINC000581706805 367739139 /nfs/dbraw/zinc/73/91/39/367739139.db2.gz KGJAZHISPAHGDF-OUAUKWLOSA-N 1 2 207.321 3.036 20 0 BGADLO C[C@H](Nc1c[nH]c[nH+]1)[C@H]1CCCC[C@H]1C ZINC000581706806 367738658 /nfs/dbraw/zinc/73/86/58/367738658.db2.gz KGJAZHISPAHGDF-VWYCJHECSA-N 1 2 207.321 3.036 20 0 BGADLO CCc1ccc(C[NH2+][C@H](C)c2cscn2)o1 ZINC000581835452 367840790 /nfs/dbraw/zinc/84/07/90/367840790.db2.gz ALHYKKFBTQFDJE-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO CCc1ccc(C[NH2+][C@@H](C)c2cscn2)o1 ZINC000581835453 367840647 /nfs/dbraw/zinc/84/06/47/367840647.db2.gz ALHYKKFBTQFDJE-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO Cc1ccc([C@@H]2C[C@H]2Nc2cccc[nH+]2)cc1 ZINC000581881594 367872252 /nfs/dbraw/zinc/87/22/52/367872252.db2.gz XOFQGOCTRCZNFK-UONOGXRCSA-N 1 2 224.307 3.358 20 0 BGADLO Cc1cccc([N@H+](C)C[C@H]2CCO[C@@H](C)C2)c1 ZINC000581915732 367901766 /nfs/dbraw/zinc/90/17/66/367901766.db2.gz QNLCBEDCNANCKC-KBPBESRZSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cccc([N@@H+](C)C[C@H]2CCO[C@@H](C)C2)c1 ZINC000581915732 367901759 /nfs/dbraw/zinc/90/17/59/367901759.db2.gz QNLCBEDCNANCKC-KBPBESRZSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cccc([N@H+](C)C[C@H]2CCO[C@H](C)C2)c1 ZINC000581915733 367901788 /nfs/dbraw/zinc/90/17/88/367901788.db2.gz QNLCBEDCNANCKC-KGLIPLIRSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cccc([N@@H+](C)C[C@H]2CCO[C@H](C)C2)c1 ZINC000581915733 367901779 /nfs/dbraw/zinc/90/17/79/367901779.db2.gz QNLCBEDCNANCKC-KGLIPLIRSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cccc([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)c1 ZINC000581915734 367901470 /nfs/dbraw/zinc/90/14/70/367901470.db2.gz QNLCBEDCNANCKC-UONOGXRCSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cccc([N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)c1 ZINC000581915734 367901465 /nfs/dbraw/zinc/90/14/65/367901465.db2.gz QNLCBEDCNANCKC-UONOGXRCSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cccc([N@H+](C)C[C@@H]2CCO[C@H](C)C2)c1 ZINC000581915735 367902481 /nfs/dbraw/zinc/90/24/81/367902481.db2.gz QNLCBEDCNANCKC-ZIAGYGMSSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cccc([N@@H+](C)C[C@@H]2CCO[C@H](C)C2)c1 ZINC000581915735 367902478 /nfs/dbraw/zinc/90/24/78/367902478.db2.gz QNLCBEDCNANCKC-ZIAGYGMSSA-N 1 2 233.355 3.246 20 0 BGADLO FC1(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000581924752 367937787 /nfs/dbraw/zinc/93/77/87/367937787.db2.gz SSGXTPIQZDUERK-GFCCVEGCSA-N 1 2 235.302 3.309 20 0 BGADLO FC1(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000581924752 367937784 /nfs/dbraw/zinc/93/77/84/367937784.db2.gz SSGXTPIQZDUERK-GFCCVEGCSA-N 1 2 235.302 3.309 20 0 BGADLO FC1(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000581924753 367937611 /nfs/dbraw/zinc/93/76/11/367937611.db2.gz SSGXTPIQZDUERK-LBPRGKRZSA-N 1 2 235.302 3.309 20 0 BGADLO FC1(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000581924753 367937606 /nfs/dbraw/zinc/93/76/06/367937606.db2.gz SSGXTPIQZDUERK-LBPRGKRZSA-N 1 2 235.302 3.309 20 0 BGADLO CC[C@@H](F)CSCCc1cccc(C)[nH+]1 ZINC000581944095 367970893 /nfs/dbraw/zinc/97/08/93/367970893.db2.gz QAJZUKYEIXNUCR-LLVKDONJSA-N 1 2 227.348 3.414 20 0 BGADLO CC[C@H](F)CSCCc1cccc(C)[nH+]1 ZINC000581944096 367971775 /nfs/dbraw/zinc/97/17/75/367971775.db2.gz QAJZUKYEIXNUCR-NSHDSACASA-N 1 2 227.348 3.414 20 0 BGADLO Fc1ccc2c(cc[nH+]c2N2CCC[C@@H](F)C2)c1 ZINC000582297828 357032626 /nfs/dbraw/zinc/03/26/26/357032626.db2.gz HDZKFYVEKITCIL-GFCCVEGCSA-N 1 2 248.276 3.312 20 0 BGADLO Fc1ccc2c(cc[nH+]c2N2CCC[C@H](F)C2)c1 ZINC000582297829 357032586 /nfs/dbraw/zinc/03/25/86/357032586.db2.gz HDZKFYVEKITCIL-LBPRGKRZSA-N 1 2 248.276 3.312 20 0 BGADLO COc1ccc(C)cc1[C@H](C)[NH2+]CC(C)(F)F ZINC000582315724 357054628 /nfs/dbraw/zinc/05/46/28/357054628.db2.gz FAOCOULFIPLGIN-JTQLQIEISA-N 1 2 243.297 3.309 20 0 BGADLO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(C)(F)F ZINC000582315725 357054268 /nfs/dbraw/zinc/05/42/68/357054268.db2.gz FAOCOULFIPLGIN-SNVBAGLBSA-N 1 2 243.297 3.309 20 0 BGADLO CCC[C@@H]1CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000582555828 357343229 /nfs/dbraw/zinc/34/32/29/357343229.db2.gz GHOYVNDAMNVQKK-CYBMUJFWSA-N 1 2 233.359 3.110 20 0 BGADLO CCC[C@H]1CCCN(c2nc(C)[nH+]cc2C)C1 ZINC000582555838 357343830 /nfs/dbraw/zinc/34/38/30/357343830.db2.gz GHOYVNDAMNVQKK-ZDUSSCGKSA-N 1 2 233.359 3.110 20 0 BGADLO c1[nH]cc(NC2CCC(OC3CCCC3)CC2)[nH+]1 ZINC000582586689 387856712 /nfs/dbraw/zinc/85/67/12/387856712.db2.gz MHENXSNFHHAMHB-UHFFFAOYSA-N 1 2 249.358 3.092 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000582615736 357353200 /nfs/dbraw/zinc/35/32/00/357353200.db2.gz DRDYNHNJMQYKNX-ABAIWWIYSA-N 1 2 245.370 3.110 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000582615737 357353262 /nfs/dbraw/zinc/35/32/62/357353262.db2.gz DRDYNHNJMQYKNX-IAQYHMDHSA-N 1 2 245.370 3.110 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000582615738 357353397 /nfs/dbraw/zinc/35/33/97/357353397.db2.gz DRDYNHNJMQYKNX-NHYWBVRUSA-N 1 2 245.370 3.110 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000582615739 357353265 /nfs/dbraw/zinc/35/32/65/357353265.db2.gz DRDYNHNJMQYKNX-XHDPSFHLSA-N 1 2 245.370 3.110 20 0 BGADLO CCCOc1cccc(C[NH2+]CC(C)(F)F)c1 ZINC000582619056 357354930 /nfs/dbraw/zinc/35/49/30/357354930.db2.gz MBHXTWHLVPDODV-UHFFFAOYSA-N 1 2 243.297 3.220 20 0 BGADLO CCN(CC(C)(C)C)c1cc[nH+]c(C(C)C)n1 ZINC000582696269 357368953 /nfs/dbraw/zinc/36/89/53/357368953.db2.gz FMOPPCOFQZAABZ-UHFFFAOYSA-N 1 2 235.375 3.472 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC000582848816 357417794 /nfs/dbraw/zinc/41/77/94/357417794.db2.gz OYBSBJGZXACNRV-MJHDQNEOSA-N 1 2 246.354 3.463 20 0 BGADLO CCCN(C(=O)Nc1c(C)cc[nH+]c1C)C(C)C ZINC000583212882 357554525 /nfs/dbraw/zinc/55/45/25/357554525.db2.gz WMFLTPLOMCSHMR-UHFFFAOYSA-N 1 2 249.358 3.351 20 0 BGADLO Cc1ccc(C)c(C[N@H+]2Cc3cccnc3C2)c1 ZINC000583253234 357720292 /nfs/dbraw/zinc/72/02/92/357720292.db2.gz KOPDQLJMZXLUSC-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO Cc1ccc(C)c(C[N@@H+]2Cc3cccnc3C2)c1 ZINC000583253234 357720290 /nfs/dbraw/zinc/72/02/90/357720290.db2.gz KOPDQLJMZXLUSC-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@@H](C1CC1)C1CCC1 ZINC000583451013 344998444 /nfs/dbraw/zinc/99/84/44/344998444.db2.gz HZPBHMCBDXTOQL-CYBMUJFWSA-N 1 2 231.343 3.084 20 0 BGADLO Cc1c[nH+]c(C)nc1N[C@H](C1CC1)C1CCC1 ZINC000583451014 344998538 /nfs/dbraw/zinc/99/85/38/344998538.db2.gz HZPBHMCBDXTOQL-ZDUSSCGKSA-N 1 2 231.343 3.084 20 0 BGADLO Cc1c[nH+]c(C)nc1N1CCC(C)(C2CC2)CC1 ZINC000583703789 357283516 /nfs/dbraw/zinc/28/35/16/357283516.db2.gz JQZDCXDNGABULL-UHFFFAOYSA-N 1 2 245.370 3.110 20 0 BGADLO Cc1[nH]c(CNc2ccsc2Cl)[nH+]c1C ZINC000583704665 357284464 /nfs/dbraw/zinc/28/44/64/357284464.db2.gz NDWWAFOLMNUYRZ-UHFFFAOYSA-N 1 2 241.747 3.354 20 0 BGADLO CCc1nc(C[N@@H+](C)CCC(C)(F)F)cs1 ZINC000584153511 343766308 /nfs/dbraw/zinc/76/63/08/343766308.db2.gz GJDARYLJYNQANV-UHFFFAOYSA-N 1 2 248.342 3.183 20 0 BGADLO CCc1nc(C[N@H+](C)CCC(C)(F)F)cs1 ZINC000584153511 343766306 /nfs/dbraw/zinc/76/63/06/343766306.db2.gz GJDARYLJYNQANV-UHFFFAOYSA-N 1 2 248.342 3.183 20 0 BGADLO Cc1[nH]c(CNc2cc(C)ccc2F)[nH+]c1C ZINC000584242997 487827861 /nfs/dbraw/zinc/82/78/61/487827861.db2.gz LOGCOMQVPGSZSG-UHFFFAOYSA-N 1 2 233.290 3.086 20 0 BGADLO C[C@@]1(c2ccccc2)CC[C@H](Nc2c[nH]c[nH+]2)C1 ZINC000584693128 358152705 /nfs/dbraw/zinc/15/27/05/358152705.db2.gz RURGSMQWGQRAPU-DZGCQCFKSA-N 1 2 241.338 3.332 20 0 BGADLO C[C@]1(c2ccccc2)CC[C@@H](Nc2c[nH]c[nH+]2)C1 ZINC000584693139 358152758 /nfs/dbraw/zinc/15/27/58/358152758.db2.gz RURGSMQWGQRAPU-HIFRSBDPSA-N 1 2 241.338 3.332 20 0 BGADLO C[C@@]1(c2ccccc2)CC[C@@H](Nc2c[nH]c[nH+]2)C1 ZINC000584693140 358152926 /nfs/dbraw/zinc/15/29/26/358152926.db2.gz RURGSMQWGQRAPU-UKRRQHHQSA-N 1 2 241.338 3.332 20 0 BGADLO C[C@]1(c2ccccc2)CC[C@H](Nc2c[nH]c[nH+]2)C1 ZINC000584693141 358153169 /nfs/dbraw/zinc/15/31/69/358153169.db2.gz RURGSMQWGQRAPU-ZFWWWQNUSA-N 1 2 241.338 3.332 20 0 BGADLO CC(C)C(C)(C)Nc1cc[nH+]c(C2CC2)n1 ZINC000584725122 358166498 /nfs/dbraw/zinc/16/64/98/358166498.db2.gz GCNZUAGUYAOJJC-UHFFFAOYSA-N 1 2 219.332 3.201 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ncc(Cl)cc1Cl ZINC000584814089 358184423 /nfs/dbraw/zinc/18/44/23/358184423.db2.gz CPMJEZZJICOQSS-HTQZYQBOSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ncc(Cl)cc1Cl ZINC000584814090 358184356 /nfs/dbraw/zinc/18/43/56/358184356.db2.gz CPMJEZZJICOQSS-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ncc(Cl)cc1Cl ZINC000584814090 358184352 /nfs/dbraw/zinc/18/43/52/358184352.db2.gz CPMJEZZJICOQSS-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1ncc(Cl)cc1Cl ZINC000584814091 358184360 /nfs/dbraw/zinc/18/43/60/358184360.db2.gz CPMJEZZJICOQSS-YUMQZZPRSA-N 1 2 245.153 3.371 20 0 BGADLO FC1(F)CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585379712 386852805 /nfs/dbraw/zinc/85/28/05/386852805.db2.gz BEATWKUJAATLGN-UHFFFAOYSA-N 1 2 236.265 3.009 20 0 BGADLO FC1(F)CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000585379712 386852801 /nfs/dbraw/zinc/85/28/01/386852801.db2.gz BEATWKUJAATLGN-UHFFFAOYSA-N 1 2 236.265 3.009 20 0 BGADLO COc1ccc2[nH+]c(N3CC[C@@H](C)C3)ccc2c1 ZINC000585743229 345987185 /nfs/dbraw/zinc/98/71/85/345987185.db2.gz DQIZPGXEOXAOQX-LLVKDONJSA-N 1 2 242.322 3.090 20 0 BGADLO COc1ccc2[nH+]c(N3CC[C@H](C)C3)ccc2c1 ZINC000585743230 345987217 /nfs/dbraw/zinc/98/72/17/345987217.db2.gz DQIZPGXEOXAOQX-NSHDSACASA-N 1 2 242.322 3.090 20 0 BGADLO CSC1(CNc2cc3cc[nH]c3c[nH+]2)CCC1 ZINC000588035713 346624139 /nfs/dbraw/zinc/62/41/39/346624139.db2.gz KNNIPIODUJLKTO-UHFFFAOYSA-N 1 2 247.367 3.261 20 0 BGADLO CCN(Cc1ccoc1)Cc1[nH+]ccn1C(C)C ZINC000588168968 346644862 /nfs/dbraw/zinc/64/48/62/346644862.db2.gz HDIADDJALVROCN-UHFFFAOYSA-N 1 2 247.342 3.079 20 0 BGADLO CC(C)[C@H](C)Sc1[nH+]cc2ccccn21 ZINC000591038706 347609810 /nfs/dbraw/zinc/60/98/10/347609810.db2.gz TXBYOLBKYFWMTE-JTQLQIEISA-N 1 2 220.341 3.471 20 0 BGADLO CC(C)[C@@H](C)Sc1[nH+]cc2ccccn21 ZINC000591038707 347609789 /nfs/dbraw/zinc/60/97/89/347609789.db2.gz TXBYOLBKYFWMTE-SNVBAGLBSA-N 1 2 220.341 3.471 20 0 BGADLO Cc1cccc2c1CC[C@@H]2Nc1cccc[nH+]1 ZINC000591371290 347649069 /nfs/dbraw/zinc/64/90/69/347649069.db2.gz AMXBOQOERAXDHP-AWEZNQCLSA-N 1 2 224.307 3.489 20 0 BGADLO Cc1cccc2c1CC[C@H]2Nc1cccc[nH+]1 ZINC000591371291 347648939 /nfs/dbraw/zinc/64/89/39/347648939.db2.gz AMXBOQOERAXDHP-CQSZACIVSA-N 1 2 224.307 3.489 20 0 BGADLO CC(C)C[N@H+]1C[C@H](C)Cc2ccccc21 ZINC000591379669 347651765 /nfs/dbraw/zinc/65/17/65/347651765.db2.gz VVDPZHLCPHUFRT-GFCCVEGCSA-N 1 2 203.329 3.341 20 0 BGADLO CC(C)C[N@@H+]1C[C@H](C)Cc2ccccc21 ZINC000591379669 347651762 /nfs/dbraw/zinc/65/17/62/347651762.db2.gz VVDPZHLCPHUFRT-GFCCVEGCSA-N 1 2 203.329 3.341 20 0 BGADLO CC(C)C[N@H+]1C[C@@H](C)Cc2ccccc21 ZINC000591379672 347651653 /nfs/dbraw/zinc/65/16/53/347651653.db2.gz VVDPZHLCPHUFRT-LBPRGKRZSA-N 1 2 203.329 3.341 20 0 BGADLO CC(C)C[N@@H+]1C[C@@H](C)Cc2ccccc21 ZINC000591379672 347651652 /nfs/dbraw/zinc/65/16/52/347651652.db2.gz VVDPZHLCPHUFRT-LBPRGKRZSA-N 1 2 203.329 3.341 20 0 BGADLO FC(F)C[NH+]1CCC(c2ccccc2)CC1 ZINC000592442416 347779892 /nfs/dbraw/zinc/77/98/92/347779892.db2.gz MSVKIGFUKLKURC-UHFFFAOYSA-N 1 2 225.282 3.131 20 0 BGADLO Cc1ccc([C@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000592442539 347779937 /nfs/dbraw/zinc/77/99/37/347779937.db2.gz WTSCLCOPIZZQBT-GFCCVEGCSA-N 1 2 225.282 3.397 20 0 BGADLO Cc1ccc([C@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000592442539 347779935 /nfs/dbraw/zinc/77/99/35/347779935.db2.gz WTSCLCOPIZZQBT-GFCCVEGCSA-N 1 2 225.282 3.397 20 0 BGADLO Cc1ccc([C@@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000592442541 347780016 /nfs/dbraw/zinc/78/00/16/347780016.db2.gz WTSCLCOPIZZQBT-LBPRGKRZSA-N 1 2 225.282 3.397 20 0 BGADLO Cc1ccc([C@@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000592442541 347780014 /nfs/dbraw/zinc/78/00/14/347780014.db2.gz WTSCLCOPIZZQBT-LBPRGKRZSA-N 1 2 225.282 3.397 20 0 BGADLO CCOCCCSCCc1cccc(C)[nH+]1 ZINC000592452369 347781066 /nfs/dbraw/zinc/78/10/66/347781066.db2.gz LOECIYWPAAQHJX-UHFFFAOYSA-N 1 2 239.384 3.092 20 0 BGADLO Cc1cccc(CCSCCOC(C)C)[nH+]1 ZINC000592453339 347781629 /nfs/dbraw/zinc/78/16/29/347781629.db2.gz ZTTPHGYLAHHKMT-UHFFFAOYSA-N 1 2 239.384 3.091 20 0 BGADLO CCCSCCc1[nH+]cc(C)cc1C ZINC000592453782 347781619 /nfs/dbraw/zinc/78/16/19/347781619.db2.gz XLTFPNDMWHOYPT-UHFFFAOYSA-N 1 2 209.358 3.384 20 0 BGADLO COc1cc[nH+]cc1CSCC1=CCCC1 ZINC000592456062 347783517 /nfs/dbraw/zinc/78/35/17/347783517.db2.gz YJHRTCIIWLODOA-UHFFFAOYSA-N 1 2 235.352 3.434 20 0 BGADLO c1cc2c(s1)CCCN(c1cccc[nH+]1)C2 ZINC000593282096 347878138 /nfs/dbraw/zinc/87/81/38/347878138.db2.gz ZFWKVMMXVFIONN-UHFFFAOYSA-N 1 2 230.336 3.096 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CC[C@@H]1SC ZINC000593681023 347932193 /nfs/dbraw/zinc/93/21/93/347932193.db2.gz TUZLTIXZDYSYPG-BDAKNGLRSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc[nH+]c1N[C@H]1CC[C@H]1SC ZINC000593681024 347932449 /nfs/dbraw/zinc/93/24/49/347932449.db2.gz TUZLTIXZDYSYPG-DTWKUNHWSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc[nH+]c1N[C@H]1CC[C@@H]1SC ZINC000593681025 347932217 /nfs/dbraw/zinc/93/22/17/347932217.db2.gz TUZLTIXZDYSYPG-IUCAKERBSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CC[C@H]1SC ZINC000593681026 347932522 /nfs/dbraw/zinc/93/25/22/347932522.db2.gz TUZLTIXZDYSYPG-RKDXNWHRSA-N 1 2 240.397 3.109 20 0 BGADLO CSCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000594031232 347992888 /nfs/dbraw/zinc/99/28/88/347992888.db2.gz JBKVPHJTCQWEKV-UHFFFAOYSA-N 1 2 243.322 3.034 20 0 BGADLO CCSCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000594032243 491075649 /nfs/dbraw/zinc/07/56/49/491075649.db2.gz WIOHVACJQLWVER-UHFFFAOYSA-N 1 2 243.322 3.034 20 0 BGADLO CC(C)(CCSCCn1cc[nH+]c1)C1CC1 ZINC000594561588 348071760 /nfs/dbraw/zinc/07/17/60/348071760.db2.gz FMGGLQFOFNRJFN-UHFFFAOYSA-N 1 2 238.400 3.443 20 0 BGADLO CSCc1ccc(NCc2[nH]cc(C)[nH+]2)cc1 ZINC000594933732 348140710 /nfs/dbraw/zinc/14/07/10/348140710.db2.gz JNXCIJGQGWNFJC-UHFFFAOYSA-N 1 2 247.367 3.193 20 0 BGADLO CSCc1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000594937684 348141888 /nfs/dbraw/zinc/14/18/88/348141888.db2.gz XGPHDHYQXARDQI-UHFFFAOYSA-N 1 2 247.367 3.193 20 0 BGADLO Cc1ccc(N[C@@H](C)CSCCF)c(C)[nH+]1 ZINC000595030701 348174534 /nfs/dbraw/zinc/17/45/34/348174534.db2.gz UGOIGAJYELMSIE-JTQLQIEISA-N 1 2 242.363 3.202 20 0 BGADLO Cc1ccc(N[C@H](C)CSCCF)c(C)[nH+]1 ZINC000595030702 348174585 /nfs/dbraw/zinc/17/45/85/348174585.db2.gz UGOIGAJYELMSIE-SNVBAGLBSA-N 1 2 242.363 3.202 20 0 BGADLO COc1cc[nH+]cc1CSCC1CC=CC1 ZINC000596362940 348525486 /nfs/dbraw/zinc/52/54/86/348525486.db2.gz FMCMPWGOCXPCQC-UHFFFAOYSA-N 1 2 235.352 3.290 20 0 BGADLO COc1cc[nH+]cc1CSC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000596363916 348526020 /nfs/dbraw/zinc/52/60/20/348526020.db2.gz MOGYKBRURISALP-ZSBIGDGJSA-N 1 2 249.379 3.370 20 0 BGADLO Cc1nocc1CSCc1ccc(C)[nH+]c1C ZINC000596368789 348512525 /nfs/dbraw/zinc/51/25/25/348512525.db2.gz XXUMWEDWWMWVTF-UHFFFAOYSA-N 1 2 248.351 3.428 20 0 BGADLO C[C@@H]1CCCC[C@@H]1CSCCn1cc[nH+]c1 ZINC000596378680 348515843 /nfs/dbraw/zinc/51/58/43/348515843.db2.gz ZLTVLQKGEYPJQH-CHWSQXEVSA-N 1 2 238.400 3.443 20 0 BGADLO C[C@@H]1CCCC[C@H]1CSCCn1cc[nH+]c1 ZINC000596378681 348515881 /nfs/dbraw/zinc/51/58/81/348515881.db2.gz ZLTVLQKGEYPJQH-OLZOCXBDSA-N 1 2 238.400 3.443 20 0 BGADLO C[C@H]1CCCC[C@@H]1CSCCn1cc[nH+]c1 ZINC000596378682 348515981 /nfs/dbraw/zinc/51/59/81/348515981.db2.gz ZLTVLQKGEYPJQH-QWHCGFSZSA-N 1 2 238.400 3.443 20 0 BGADLO C[C@H]1CCCC[C@H]1CSCCn1cc[nH+]c1 ZINC000596378683 348515877 /nfs/dbraw/zinc/51/58/77/348515877.db2.gz ZLTVLQKGEYPJQH-STQMWFEESA-N 1 2 238.400 3.443 20 0 BGADLO Cc1nocc1CSCCc1cccc(C)[nH+]1 ZINC000596379513 348516457 /nfs/dbraw/zinc/51/64/57/348516457.db2.gz HPZAEIRRFLUDNT-UHFFFAOYSA-N 1 2 248.351 3.162 20 0 BGADLO CCC(CC)CSCCn1cc[nH+]c1 ZINC000596379727 348516527 /nfs/dbraw/zinc/51/65/27/348516527.db2.gz JZFUJZZTOIGPEA-UHFFFAOYSA-N 1 2 212.362 3.053 20 0 BGADLO c1cn(CCSC[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC000596384287 348517844 /nfs/dbraw/zinc/51/78/44/348517844.db2.gz HZGAJWMGESWKDA-FRRDWIJNSA-N 1 2 236.384 3.053 20 0 BGADLO c1cn(CCSC[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000596384289 348517767 /nfs/dbraw/zinc/51/77/67/348517767.db2.gz HZGAJWMGESWKDA-UPJWGTAASA-N 1 2 236.384 3.053 20 0 BGADLO c1cn(CCSCCCC2CCC2)c[nH+]1 ZINC000596391591 348531459 /nfs/dbraw/zinc/53/14/59/348531459.db2.gz CIYMLNUPZFSZEM-UHFFFAOYSA-N 1 2 224.373 3.197 20 0 BGADLO CC[C@H](CSCCn1cc[nH+]c1)CC(F)F ZINC000596396574 411180762 /nfs/dbraw/zinc/18/07/62/411180762.db2.gz PWHSFTGCGBEION-JTQLQIEISA-N 1 2 248.342 3.298 20 0 BGADLO CC[C@@H](CSCCn1cc[nH+]c1)CC(F)F ZINC000596396575 411181067 /nfs/dbraw/zinc/18/10/67/411181067.db2.gz PWHSFTGCGBEION-SNVBAGLBSA-N 1 2 248.342 3.298 20 0 BGADLO CSCC1(CCNc2cccc[nH+]2)CC1 ZINC000596426117 348528995 /nfs/dbraw/zinc/52/89/95/348528995.db2.gz BKNBIVXRDZGLGI-UHFFFAOYSA-N 1 2 222.357 3.027 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)CSCCF ZINC000597159080 348666525 /nfs/dbraw/zinc/66/65/25/348666525.db2.gz XZDWVLHWBLCEDL-JTQLQIEISA-N 1 2 242.363 3.147 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)CSCCF ZINC000597159081 348666666 /nfs/dbraw/zinc/66/66/66/348666666.db2.gz XZDWVLHWBLCEDL-SNVBAGLBSA-N 1 2 242.363 3.147 20 0 BGADLO CCSCCNc1c[nH+]cc2c1CCCC2 ZINC000597174690 385665721 /nfs/dbraw/zinc/66/57/21/385665721.db2.gz BBXBVYXJAVWSPZ-UHFFFAOYSA-N 1 2 236.384 3.125 20 0 BGADLO CS[C@@H]1CC[C@@H]1Nc1c[nH+]cc2c1CCCC2 ZINC000597177288 348669569 /nfs/dbraw/zinc/66/95/69/348669569.db2.gz NUMGWQYXMTVMFZ-GXTWGEPZSA-N 1 2 248.395 3.266 20 0 BGADLO CS[C@H]1CC[C@@H]1Nc1c[nH+]cc2c1CCCC2 ZINC000597177295 348669622 /nfs/dbraw/zinc/66/96/22/348669622.db2.gz NUMGWQYXMTVMFZ-JSGCOSHPSA-N 1 2 248.395 3.266 20 0 BGADLO CS[C@H]1CC[C@H]1Nc1c[nH+]cc2c1CCCC2 ZINC000597177296 348669629 /nfs/dbraw/zinc/66/96/29/348669629.db2.gz NUMGWQYXMTVMFZ-OCCSQVGLSA-N 1 2 248.395 3.266 20 0 BGADLO CS[C@@H]1CC[C@H]1Nc1c[nH+]cc2c1CCCC2 ZINC000597177297 348670275 /nfs/dbraw/zinc/67/02/75/348670275.db2.gz NUMGWQYXMTVMFZ-TZMCWYRMSA-N 1 2 248.395 3.266 20 0 BGADLO Cn1cc[nH+]c1CSC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000598717541 349026484 /nfs/dbraw/zinc/02/64/84/349026484.db2.gz GVJACBCPEWXAEZ-GRYCIOLGSA-N 1 2 236.384 3.090 20 0 BGADLO Cn1cc[nH+]c1CSC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000598717543 349026316 /nfs/dbraw/zinc/02/63/16/349026316.db2.gz GVJACBCPEWXAEZ-UTUOFQBUSA-N 1 2 236.384 3.090 20 0 BGADLO Cn1c[nH+]cc1CSC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000598721702 349028269 /nfs/dbraw/zinc/02/82/69/349028269.db2.gz WDKAEEOBSRWYHD-GRYCIOLGSA-N 1 2 236.384 3.090 20 0 BGADLO Cn1c[nH+]cc1CSC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000598721706 349028249 /nfs/dbraw/zinc/02/82/49/349028249.db2.gz WDKAEEOBSRWYHD-UTUOFQBUSA-N 1 2 236.384 3.090 20 0 BGADLO CSCCCN(C)c1[nH+]ccc2ccccc21 ZINC000599075348 349088273 /nfs/dbraw/zinc/08/82/73/349088273.db2.gz VJMIHITZPYBXQD-UHFFFAOYSA-N 1 2 246.379 3.424 20 0 BGADLO CS[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000599084289 349096298 /nfs/dbraw/zinc/09/62/98/349096298.db2.gz WHBHVENTVXRFQW-GFCCVEGCSA-N 1 2 244.363 3.177 20 0 BGADLO CS[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000599084300 349096578 /nfs/dbraw/zinc/09/65/78/349096578.db2.gz WHBHVENTVXRFQW-LBPRGKRZSA-N 1 2 244.363 3.177 20 0 BGADLO CCN(CCSC)c1[nH+]ccc2ccccc21 ZINC000599092996 349092111 /nfs/dbraw/zinc/09/21/11/349092111.db2.gz LQLBDUGBMDPMOW-UHFFFAOYSA-N 1 2 246.379 3.424 20 0 BGADLO COC(=O)CCCC[N@@H+](C)c1cccc(C)c1C ZINC000599268508 349136817 /nfs/dbraw/zinc/13/68/17/349136817.db2.gz FRZNDHUDSGCXJM-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO COC(=O)CCCC[N@H+](C)c1cccc(C)c1C ZINC000599268508 349136814 /nfs/dbraw/zinc/13/68/14/349136814.db2.gz FRZNDHUDSGCXJM-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO COC(=O)CCCC[N@@H+](C)c1cc(C)cc(C)c1 ZINC000599269889 349136036 /nfs/dbraw/zinc/13/60/36/349136036.db2.gz XEGQKSXGIPDLNR-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO COC(=O)CCCC[N@H+](C)c1cc(C)cc(C)c1 ZINC000599269889 349136032 /nfs/dbraw/zinc/13/60/32/349136032.db2.gz XEGQKSXGIPDLNR-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO COC(=O)CCCC[N@@H+](C)c1cc(C)ccc1C ZINC000599269981 349136849 /nfs/dbraw/zinc/13/68/49/349136849.db2.gz YVWGSSUBDJUQFS-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO COC(=O)CCCC[N@H+](C)c1cc(C)ccc1C ZINC000599269981 349136847 /nfs/dbraw/zinc/13/68/47/349136847.db2.gz YVWGSSUBDJUQFS-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CC[N@@H+](CCCCC(=O)OC)c1cccc(C)c1 ZINC000599315137 349145957 /nfs/dbraw/zinc/14/59/57/349145957.db2.gz DSCWQKMJZVDOSD-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO CC[N@H+](CCCCC(=O)OC)c1cccc(C)c1 ZINC000599315137 349145953 /nfs/dbraw/zinc/14/59/53/349145953.db2.gz DSCWQKMJZVDOSD-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO CC[N@@H+](CCCCC(=O)OC)c1ccccc1C ZINC000599315451 349146414 /nfs/dbraw/zinc/14/64/14/349146414.db2.gz LNBUXSGXPJOTNR-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO CC[N@H+](CCCCC(=O)OC)c1ccccc1C ZINC000599315451 349146411 /nfs/dbraw/zinc/14/64/11/349146411.db2.gz LNBUXSGXPJOTNR-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO COC(=O)CCCC[N@H+](c1ccccc1)C(C)C ZINC000599315547 349145944 /nfs/dbraw/zinc/14/59/44/349145944.db2.gz LRNVROMATUGOFS-UHFFFAOYSA-N 1 2 249.354 3.245 20 0 BGADLO COC(=O)CCCC[N@@H+](c1ccccc1)C(C)C ZINC000599315547 349145940 /nfs/dbraw/zinc/14/59/40/349145940.db2.gz LRNVROMATUGOFS-UHFFFAOYSA-N 1 2 249.354 3.245 20 0 BGADLO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)C(C)(C)C ZINC000599889978 349269054 /nfs/dbraw/zinc/26/90/54/349269054.db2.gz JGJNILMTNPARKT-LLVKDONJSA-N 1 2 235.375 3.259 20 0 BGADLO CC[C@H](Nc1cc[nH+]c(C(C)C)n1)C(C)(C)C ZINC000599889979 349268612 /nfs/dbraw/zinc/26/86/12/349268612.db2.gz JGJNILMTNPARKT-NSHDSACASA-N 1 2 235.375 3.259 20 0 BGADLO Cc1ccc2c(c1)[C@@H](Nc1cc(C)[nH+]cn1)CC2 ZINC000599914038 349269889 /nfs/dbraw/zinc/26/98/89/349269889.db2.gz LACGHPYCGKBTCD-AWEZNQCLSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1ccc2c(c1)[C@H](Nc1cc(C)[nH+]cn1)CC2 ZINC000599914039 349269696 /nfs/dbraw/zinc/26/96/96/349269696.db2.gz LACGHPYCGKBTCD-CQSZACIVSA-N 1 2 239.322 3.193 20 0 BGADLO CN(C)c1ccc(CSCc2ccco2)c[nH+]1 ZINC000600508824 344250020 /nfs/dbraw/zinc/25/00/20/344250020.db2.gz NMPNVCHNUYOHII-UHFFFAOYSA-N 1 2 248.351 3.174 20 0 BGADLO CC(C)CSCc1ccc(N(C)C)[nH+]c1 ZINC000600509652 344250383 /nfs/dbraw/zinc/25/03/83/344250383.db2.gz CSOPOSRYWPGUJE-UHFFFAOYSA-N 1 2 224.373 3.037 20 0 BGADLO CN(C)c1ccc(CSC2CCCC2)c[nH+]1 ZINC000600512760 344251475 /nfs/dbraw/zinc/25/14/75/344251475.db2.gz PRBNYRUNONPZMV-UHFFFAOYSA-N 1 2 236.384 3.323 20 0 BGADLO CC(C)[C@@H](C)SCc1ccc(N(C)C)[nH+]c1 ZINC000600524685 344256485 /nfs/dbraw/zinc/25/64/85/344256485.db2.gz PDJNPZSMKBWDQE-LLVKDONJSA-N 1 2 238.400 3.425 20 0 BGADLO CC(C)[C@H](C)SCc1ccc(N(C)C)[nH+]c1 ZINC000600524686 344256420 /nfs/dbraw/zinc/25/64/20/344256420.db2.gz PDJNPZSMKBWDQE-NSHDSACASA-N 1 2 238.400 3.425 20 0 BGADLO CC(C)=CCSCc1ccc(N(C)C)[nH+]c1 ZINC000600531861 344260249 /nfs/dbraw/zinc/26/02/49/344260249.db2.gz MUFQFCWIVPDFOD-UHFFFAOYSA-N 1 2 236.384 3.347 20 0 BGADLO CN(C)c1ccc(CSCC(C)(C)C)c[nH+]1 ZINC000600541596 344263672 /nfs/dbraw/zinc/26/36/72/344263672.db2.gz BIWWJKJMPXVKCH-UHFFFAOYSA-N 1 2 238.400 3.427 20 0 BGADLO c1cn(CCCSC[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000600577246 344293364 /nfs/dbraw/zinc/29/33/64/344293364.db2.gz ITFINCQHLFPKQN-CLLJXQQHSA-N 1 2 236.384 3.053 20 0 BGADLO C[C@H](SCc1[nH+]ccn1C)c1ccccc1 ZINC000600602039 344338427 /nfs/dbraw/zinc/33/84/27/344338427.db2.gz LULZJYYXQLDRRA-NSHDSACASA-N 1 2 232.352 3.415 20 0 BGADLO C[C@H](SCc1c[nH+]cn1C)c1ccccc1 ZINC000600602566 344338137 /nfs/dbraw/zinc/33/81/37/344338137.db2.gz VVKVJDIUKDVELV-NSHDSACASA-N 1 2 232.352 3.415 20 0 BGADLO COc1cc(C)[nH+]c(CSC[C@H]2C[C@@H]2C)c1 ZINC000600626819 344343826 /nfs/dbraw/zinc/34/38/26/344343826.db2.gz ZYKKWCRXEIIUIV-GXSJLCMTSA-N 1 2 237.368 3.288 20 0 BGADLO COc1cc(C)[nH+]c(CSC[C@@H]2C[C@H]2C)c1 ZINC000600626821 344343852 /nfs/dbraw/zinc/34/38/52/344343852.db2.gz ZYKKWCRXEIIUIV-KOLCDFICSA-N 1 2 237.368 3.288 20 0 BGADLO COc1cc(C)[nH+]c(CSC[C@H]2C[C@H]2C)c1 ZINC000600626822 344344017 /nfs/dbraw/zinc/34/40/17/344344017.db2.gz ZYKKWCRXEIIUIV-MWLCHTKSSA-N 1 2 237.368 3.288 20 0 BGADLO COc1cc(C)[nH+]c(CSC[C@@H]2C[C@@H]2C)c1 ZINC000600626823 344343891 /nfs/dbraw/zinc/34/38/91/344343891.db2.gz ZYKKWCRXEIIUIV-ONGXEEELSA-N 1 2 237.368 3.288 20 0 BGADLO C[C@@H]1C[C@@H]1CSCc1cn2ccccc2[nH+]1 ZINC000600629349 344345046 /nfs/dbraw/zinc/34/50/46/344345046.db2.gz RQVNQFPPGLELSI-GHMZBOCLSA-N 1 2 232.352 3.224 20 0 BGADLO C[C@@H]1C[C@H]1CSCc1cn2ccccc2[nH+]1 ZINC000600629350 344345053 /nfs/dbraw/zinc/34/50/53/344345053.db2.gz RQVNQFPPGLELSI-MNOVXSKESA-N 1 2 232.352 3.224 20 0 BGADLO C[C@H]1C[C@H]1CSCc1cn2ccccc2[nH+]1 ZINC000600629351 344345000 /nfs/dbraw/zinc/34/50/00/344345000.db2.gz RQVNQFPPGLELSI-QWRGUYRKSA-N 1 2 232.352 3.224 20 0 BGADLO C[C@H]1C[C@@H]1CSCc1cn2ccccc2[nH+]1 ZINC000600629352 344345026 /nfs/dbraw/zinc/34/50/26/344345026.db2.gz RQVNQFPPGLELSI-WDEREUQCSA-N 1 2 232.352 3.224 20 0 BGADLO CC[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000600629466 344344935 /nfs/dbraw/zinc/34/49/35/344344935.db2.gz BUDASZQVNZZWSO-CYBMUJFWSA-N 1 2 247.317 3.132 20 0 BGADLO CC[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ncc[nH]1 ZINC000600629466 344344933 /nfs/dbraw/zinc/34/49/33/344344933.db2.gz BUDASZQVNZZWSO-CYBMUJFWSA-N 1 2 247.317 3.132 20 0 BGADLO CC[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ncc[nH]1 ZINC000600629481 344345468 /nfs/dbraw/zinc/34/54/68/344345468.db2.gz BUDASZQVNZZWSO-ZDUSSCGKSA-N 1 2 247.317 3.132 20 0 BGADLO CC[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ncc[nH]1 ZINC000600629481 344345466 /nfs/dbraw/zinc/34/54/66/344345466.db2.gz BUDASZQVNZZWSO-ZDUSSCGKSA-N 1 2 247.317 3.132 20 0 BGADLO CC1(C)CC(CSCCn2cc[nH+]c2)C1 ZINC000600635474 344347708 /nfs/dbraw/zinc/34/77/08/344347708.db2.gz LHCYSHQCRMLFKW-UHFFFAOYSA-N 1 2 224.373 3.053 20 0 BGADLO Cc1cccc(CCSC[C@H]2C[C@@H]2C)[nH+]1 ZINC000600645089 344351061 /nfs/dbraw/zinc/35/10/61/344351061.db2.gz JAVNWTXFQCQGSJ-CMPLNLGQSA-N 1 2 221.369 3.322 20 0 BGADLO Cc1cccc(CCSC[C@@H]2C[C@@H]2C)[nH+]1 ZINC000600645091 344350809 /nfs/dbraw/zinc/35/08/09/344350809.db2.gz JAVNWTXFQCQGSJ-JQWIXIFHSA-N 1 2 221.369 3.322 20 0 BGADLO Cc1cccc(CCSC[C@@H]2C[C@H]2C)[nH+]1 ZINC000600645094 344350985 /nfs/dbraw/zinc/35/09/85/344350985.db2.gz JAVNWTXFQCQGSJ-PWSUYJOCSA-N 1 2 221.369 3.322 20 0 BGADLO Cc1cccc(CCSC[C@H]2C[C@H]2C)[nH+]1 ZINC000600645096 344350999 /nfs/dbraw/zinc/35/09/99/344350999.db2.gz JAVNWTXFQCQGSJ-ZYHUDNBSSA-N 1 2 221.369 3.322 20 0 BGADLO Cc1ccc2c(c1)[N@@H+](CC(C)C)CCC2 ZINC000600687833 344359343 /nfs/dbraw/zinc/35/93/43/344359343.db2.gz WZXCJVAMYBUKMJ-UHFFFAOYSA-N 1 2 203.329 3.404 20 0 BGADLO Cc1ccc2c(c1)[N@H+](CC(C)C)CCC2 ZINC000600687833 344359342 /nfs/dbraw/zinc/35/93/42/344359342.db2.gz WZXCJVAMYBUKMJ-UHFFFAOYSA-N 1 2 203.329 3.404 20 0 BGADLO CSCc1cccc(-c2c[nH]c(C)[nH+]2)c1 ZINC000600778879 344371969 /nfs/dbraw/zinc/37/19/69/344371969.db2.gz JJBKLFVVUJFTKR-UHFFFAOYSA-N 1 2 218.325 3.248 20 0 BGADLO FC1(F)CC[C@H](CSCCn2cc[nH+]c2)C1 ZINC000601061641 346010630 /nfs/dbraw/zinc/01/06/30/346010630.db2.gz WPICMJHJWRPPCZ-JTQLQIEISA-N 1 2 246.326 3.052 20 0 BGADLO FC1(F)CC[C@@H](CSCCn2cc[nH+]c2)C1 ZINC000601061642 346010370 /nfs/dbraw/zinc/01/03/70/346010370.db2.gz WPICMJHJWRPPCZ-SNVBAGLBSA-N 1 2 246.326 3.052 20 0 BGADLO CSCCCNc1cc2ccccc2c[nH+]1 ZINC000601118628 346148159 /nfs/dbraw/zinc/14/81/59/346148159.db2.gz OGFVNNRIZPNPSX-UHFFFAOYSA-N 1 2 232.352 3.400 20 0 BGADLO CSC[C@H](C)Nc1cc2ccccc2c[nH+]1 ZINC000601119171 346148004 /nfs/dbraw/zinc/14/80/04/346148004.db2.gz VAPLVTVPSLVISY-JTQLQIEISA-N 1 2 232.352 3.398 20 0 BGADLO CSC[C@@H](C)Nc1cc2ccccc2c[nH+]1 ZINC000601119175 346148099 /nfs/dbraw/zinc/14/80/99/346148099.db2.gz VAPLVTVPSLVISY-SNVBAGLBSA-N 1 2 232.352 3.398 20 0 BGADLO Cc1cc(N[C@H](C)c2cc(F)ccc2F)nc[nH+]1 ZINC000602541926 487995142 /nfs/dbraw/zinc/99/51/42/487995142.db2.gz GEPITXSRTIXFDM-SECBINFHSA-N 1 2 249.264 3.236 20 0 BGADLO Cc1cc(N[C@@H](C)c2cc(F)ccc2F)nc[nH+]1 ZINC000602541927 487995126 /nfs/dbraw/zinc/99/51/26/487995126.db2.gz GEPITXSRTIXFDM-VIFPVBQESA-N 1 2 249.264 3.236 20 0 BGADLO CCC(F)(F)C[N@@H+](C)[C@H](C)CCSC ZINC000602795235 349736757 /nfs/dbraw/zinc/73/67/57/349736757.db2.gz RUEQWMSKTZDQIX-SECBINFHSA-N 1 2 225.348 3.105 20 0 BGADLO CCC(F)(F)C[N@H+](C)[C@H](C)CCSC ZINC000602795235 349736754 /nfs/dbraw/zinc/73/67/54/349736754.db2.gz RUEQWMSKTZDQIX-SECBINFHSA-N 1 2 225.348 3.105 20 0 BGADLO CCC(F)(F)C[N@@H+](C)[C@@H](C)CCSC ZINC000602795238 349737100 /nfs/dbraw/zinc/73/71/00/349737100.db2.gz RUEQWMSKTZDQIX-VIFPVBQESA-N 1 2 225.348 3.105 20 0 BGADLO CCC(F)(F)C[N@H+](C)[C@@H](C)CCSC ZINC000602795238 349737098 /nfs/dbraw/zinc/73/70/98/349737098.db2.gz RUEQWMSKTZDQIX-VIFPVBQESA-N 1 2 225.348 3.105 20 0 BGADLO CC[C@H](CSC)[N@@H+](C)CC(F)(F)CC ZINC000602798973 349740158 /nfs/dbraw/zinc/74/01/58/349740158.db2.gz PJETUQULFVHZJM-SECBINFHSA-N 1 2 225.348 3.105 20 0 BGADLO CC[C@H](CSC)[N@H+](C)CC(F)(F)CC ZINC000602798973 349740157 /nfs/dbraw/zinc/74/01/57/349740157.db2.gz PJETUQULFVHZJM-SECBINFHSA-N 1 2 225.348 3.105 20 0 BGADLO CC[C@@H](CSC)[N@@H+](C)CC(F)(F)CC ZINC000602798974 349739666 /nfs/dbraw/zinc/73/96/66/349739666.db2.gz PJETUQULFVHZJM-VIFPVBQESA-N 1 2 225.348 3.105 20 0 BGADLO CC[C@@H](CSC)[N@H+](C)CC(F)(F)CC ZINC000602798974 349739663 /nfs/dbraw/zinc/73/96/63/349739663.db2.gz PJETUQULFVHZJM-VIFPVBQESA-N 1 2 225.348 3.105 20 0 BGADLO C[C@@H]1Cc2ccccc2[N@H+](CC2CCOCC2)C1 ZINC000602869965 349800939 /nfs/dbraw/zinc/80/09/39/349800939.db2.gz BRVZFHSIQVWOBC-CYBMUJFWSA-N 1 2 245.366 3.112 20 0 BGADLO C[C@@H]1Cc2ccccc2[N@@H+](CC2CCOCC2)C1 ZINC000602869965 349800936 /nfs/dbraw/zinc/80/09/36/349800936.db2.gz BRVZFHSIQVWOBC-CYBMUJFWSA-N 1 2 245.366 3.112 20 0 BGADLO C[C@H]1Cc2ccccc2[N@H+](CC2CCOCC2)C1 ZINC000602869974 349800592 /nfs/dbraw/zinc/80/05/92/349800592.db2.gz BRVZFHSIQVWOBC-ZDUSSCGKSA-N 1 2 245.366 3.112 20 0 BGADLO C[C@H]1Cc2ccccc2[N@@H+](CC2CCOCC2)C1 ZINC000602869974 349800589 /nfs/dbraw/zinc/80/05/89/349800589.db2.gz BRVZFHSIQVWOBC-ZDUSSCGKSA-N 1 2 245.366 3.112 20 0 BGADLO Cc1ccccc1CSCc1cn(C)c[nH+]1 ZINC000603300854 349915600 /nfs/dbraw/zinc/91/56/00/349915600.db2.gz RQYDZLJNVFYODQ-UHFFFAOYSA-N 1 2 232.352 3.162 20 0 BGADLO CCSCC[C@H](C)N(C)c1cc[nH+]cc1F ZINC000603304499 349909786 /nfs/dbraw/zinc/90/97/86/349909786.db2.gz VDJFQQDNMSNLJS-JTQLQIEISA-N 1 2 242.363 3.189 20 0 BGADLO CCSCC[C@@H](C)N(C)c1cc[nH+]cc1F ZINC000603304500 349909856 /nfs/dbraw/zinc/90/98/56/349909856.db2.gz VDJFQQDNMSNLJS-SNVBAGLBSA-N 1 2 242.363 3.189 20 0 BGADLO Cn1c[nH+]c(CSCCCc2ccccc2)c1 ZINC000603316224 349912418 /nfs/dbraw/zinc/91/24/18/349912418.db2.gz COAYNNDTHQRIOM-UHFFFAOYSA-N 1 2 246.379 3.286 20 0 BGADLO Cc1ccc(C)c(CSCc2cn(C)c[nH+]2)c1 ZINC000603318071 349913326 /nfs/dbraw/zinc/91/33/26/349913326.db2.gz JQWUZVZRFDCXIU-UHFFFAOYSA-N 1 2 246.379 3.470 20 0 BGADLO CCC(CC)SCc1ccc[nH+]c1N ZINC000603319684 349913899 /nfs/dbraw/zinc/91/38/99/349913899.db2.gz RFDZFMUVSZDRET-UHFFFAOYSA-N 1 2 210.346 3.086 20 0 BGADLO Cn1c[nH+]c(CSCC2CCCCC2)c1 ZINC000603320485 349914501 /nfs/dbraw/zinc/91/45/01/349914501.db2.gz SVQIQZCXEQBFHW-UHFFFAOYSA-N 1 2 224.373 3.234 20 0 BGADLO CC(C)CCCSCc1cn(C)c[nH+]1 ZINC000603325509 349923068 /nfs/dbraw/zinc/92/30/68/349923068.db2.gz XRWYOSQVRHFDON-UHFFFAOYSA-N 1 2 212.362 3.090 20 0 BGADLO C[C@H](CSCc1cn(C)c[nH+]1)c1ccccc1 ZINC000603329828 349924939 /nfs/dbraw/zinc/92/49/39/349924939.db2.gz NTSXRYILJHPLSM-GFCCVEGCSA-N 1 2 246.379 3.457 20 0 BGADLO C[C@@H](CSCc1cn(C)c[nH+]1)c1ccccc1 ZINC000603329830 349925057 /nfs/dbraw/zinc/92/50/57/349925057.db2.gz NTSXRYILJHPLSM-LBPRGKRZSA-N 1 2 246.379 3.457 20 0 BGADLO CCC[C@@H](CC)SCc1cn(C)c[nH+]1 ZINC000603329845 349924799 /nfs/dbraw/zinc/92/47/99/349924799.db2.gz NYFOBIWNIGHVID-LLVKDONJSA-N 1 2 212.362 3.232 20 0 BGADLO CCC[C@H](CC)SCc1cn(C)c[nH+]1 ZINC000603329846 349924862 /nfs/dbraw/zinc/92/48/62/349924862.db2.gz NYFOBIWNIGHVID-NSHDSACASA-N 1 2 212.362 3.232 20 0 BGADLO CCC[C@@H](CC)SCc1ccc[nH+]c1N ZINC000603330483 349924877 /nfs/dbraw/zinc/92/48/77/349924877.db2.gz PXQFGRPLZAXELS-LLVKDONJSA-N 1 2 224.373 3.476 20 0 BGADLO CCC[C@H](CC)SCc1ccc[nH+]c1N ZINC000603330491 349924721 /nfs/dbraw/zinc/92/47/21/349924721.db2.gz PXQFGRPLZAXELS-NSHDSACASA-N 1 2 224.373 3.476 20 0 BGADLO Cc1ccc(CSCc2cn(C)c[nH+]2)cc1C ZINC000603332012 349925696 /nfs/dbraw/zinc/92/56/96/349925696.db2.gz WDVHFCLOXNLPTC-UHFFFAOYSA-N 1 2 246.379 3.470 20 0 BGADLO c1ccc2[nH+]c(CCSCC3CC3)[nH]c2c1 ZINC000603334090 349926537 /nfs/dbraw/zinc/92/65/37/349926537.db2.gz XOHLDEWEPLPMPP-UHFFFAOYSA-N 1 2 232.352 3.249 20 0 BGADLO c1ccc2[nH+]c(CCSC3CCC3)[nH]c2c1 ZINC000603335722 349927273 /nfs/dbraw/zinc/92/72/73/349927273.db2.gz NMYAZRHAXAKMGE-UHFFFAOYSA-N 1 2 232.352 3.391 20 0 BGADLO Cc1cccc(CSCc2cn(C)c[nH+]2)c1 ZINC000603336649 349927109 /nfs/dbraw/zinc/92/71/09/349927109.db2.gz SHRHIXKHOFFUDF-UHFFFAOYSA-N 1 2 232.352 3.162 20 0 BGADLO Nc1[nH+]cccc1CSC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000603352147 537850166 /nfs/dbraw/zinc/85/01/66/537850166.db2.gz FMCIVQFSJGMWJW-NTZNESFSSA-N 1 2 248.395 3.333 20 0 BGADLO Nc1[nH+]cccc1CSC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000603352149 537850138 /nfs/dbraw/zinc/85/01/38/537850138.db2.gz FMCIVQFSJGMWJW-WZRBSPASSA-N 1 2 248.395 3.333 20 0 BGADLO Cn1c[nH+]c(CSC[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000603358759 349932375 /nfs/dbraw/zinc/93/23/75/349932375.db2.gz XMDGBEPGLVCVPR-GRYCIOLGSA-N 1 2 236.384 3.090 20 0 BGADLO Cn1c[nH+]c(CSC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000603358766 349932436 /nfs/dbraw/zinc/93/24/36/349932436.db2.gz XMDGBEPGLVCVPR-UTUOFQBUSA-N 1 2 236.384 3.090 20 0 BGADLO C[C@H](SCc1cn(C)c[nH+]1)c1ccccc1 ZINC000603361211 491088720 /nfs/dbraw/zinc/08/87/20/491088720.db2.gz YXFFOCBFFRXNGP-NSHDSACASA-N 1 2 232.352 3.415 20 0 BGADLO CC(C)c1nc(N(C)[C@H](C)C(C)(C)C)cc[nH+]1 ZINC000603375793 349936419 /nfs/dbraw/zinc/93/64/19/349936419.db2.gz UIEQJCNGJWSACX-LLVKDONJSA-N 1 2 235.375 3.471 20 0 BGADLO CC(C)c1nc(N(C)[C@@H](C)C(C)(C)C)cc[nH+]1 ZINC000603375794 349936386 /nfs/dbraw/zinc/93/63/86/349936386.db2.gz UIEQJCNGJWSACX-NSHDSACASA-N 1 2 235.375 3.471 20 0 BGADLO CCc1cc(N(C)CCC2CCCCC2)nc[nH+]1 ZINC000603390565 349944046 /nfs/dbraw/zinc/94/40/46/349944046.db2.gz UYGROPHFINGPMD-UHFFFAOYSA-N 1 2 247.386 3.446 20 0 BGADLO CC(C)n1cc([C@@H](C)Nc2cccc[nH+]2)cn1 ZINC000603393918 349944892 /nfs/dbraw/zinc/94/48/92/349944892.db2.gz JKZUIRQBOCDJOX-LLVKDONJSA-N 1 2 230.315 3.032 20 0 BGADLO CC(C)n1cc([C@H](C)Nc2cccc[nH+]2)cn1 ZINC000603393919 349944954 /nfs/dbraw/zinc/94/49/54/349944954.db2.gz JKZUIRQBOCDJOX-NSHDSACASA-N 1 2 230.315 3.032 20 0 BGADLO CCC[C@@H](Nc1cc(C)[nH+]cn1)c1ccccn1 ZINC000603394081 349945605 /nfs/dbraw/zinc/94/56/05/349945605.db2.gz IRACDSHESVJGHI-CYBMUJFWSA-N 1 2 242.326 3.133 20 0 BGADLO CCC[C@H](Nc1cc(C)[nH+]cn1)c1ccccn1 ZINC000603394082 349946016 /nfs/dbraw/zinc/94/60/16/349946016.db2.gz IRACDSHESVJGHI-ZDUSSCGKSA-N 1 2 242.326 3.133 20 0 BGADLO CCc1cc(N(C)CC2CCCCC2)nc[nH+]1 ZINC000603394346 349945939 /nfs/dbraw/zinc/94/59/39/349945939.db2.gz QLOZECMVBZEZJU-UHFFFAOYSA-N 1 2 233.359 3.056 20 0 BGADLO CCc1cc(NCCCCC(C)(C)C)nc[nH+]1 ZINC000603395254 349945325 /nfs/dbraw/zinc/94/53/25/349945325.db2.gz NLWZJDGQEKNSAK-UHFFFAOYSA-N 1 2 235.375 3.089 20 0 BGADLO Fc1ccc(C[C@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000603409633 349958830 /nfs/dbraw/zinc/95/88/30/349958830.db2.gz FNULZIJHCIOODD-GFCCVEGCSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1ccc(C[C@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000603409633 349958827 /nfs/dbraw/zinc/95/88/27/349958827.db2.gz FNULZIJHCIOODD-GFCCVEGCSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1ccc(C[C@@H]2CCC[N@@H+]2CC(F)F)cc1 ZINC000603409634 349958997 /nfs/dbraw/zinc/95/89/97/349958997.db2.gz FNULZIJHCIOODD-LBPRGKRZSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1ccc(C[C@@H]2CCC[N@H+]2CC(F)F)cc1 ZINC000603409634 349958993 /nfs/dbraw/zinc/95/89/93/349958993.db2.gz FNULZIJHCIOODD-LBPRGKRZSA-N 1 2 243.272 3.098 20 0 BGADLO CC[N@@H+](CC(F)F)[C@H](C)c1ccc(F)cc1 ZINC000603409707 349958930 /nfs/dbraw/zinc/95/89/30/349958930.db2.gz RHJFREUBAXGLPB-SECBINFHSA-N 1 2 231.261 3.474 20 0 BGADLO CC[N@H+](CC(F)F)[C@H](C)c1ccc(F)cc1 ZINC000603409707 349958927 /nfs/dbraw/zinc/95/89/27/349958927.db2.gz RHJFREUBAXGLPB-SECBINFHSA-N 1 2 231.261 3.474 20 0 BGADLO CC[N@@H+](CC(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000603409708 349958881 /nfs/dbraw/zinc/95/88/81/349958881.db2.gz RHJFREUBAXGLPB-VIFPVBQESA-N 1 2 231.261 3.474 20 0 BGADLO CC[N@H+](CC(F)F)[C@@H](C)c1ccc(F)cc1 ZINC000603409708 349958877 /nfs/dbraw/zinc/95/88/77/349958877.db2.gz RHJFREUBAXGLPB-VIFPVBQESA-N 1 2 231.261 3.474 20 0 BGADLO C[C@@H](c1ccccc1)[N@@H+](CC(F)F)C1CC1 ZINC000603409940 349958804 /nfs/dbraw/zinc/95/88/04/349958804.db2.gz SSMCOTHROBVKEG-JTQLQIEISA-N 1 2 225.282 3.477 20 0 BGADLO C[C@@H](c1ccccc1)[N@H+](CC(F)F)C1CC1 ZINC000603409940 349958802 /nfs/dbraw/zinc/95/88/02/349958802.db2.gz SSMCOTHROBVKEG-JTQLQIEISA-N 1 2 225.282 3.477 20 0 BGADLO C[C@H](c1ccccc1)[N@@H+](CC(F)F)C1CC1 ZINC000603409949 349958764 /nfs/dbraw/zinc/95/87/64/349958764.db2.gz SSMCOTHROBVKEG-SNVBAGLBSA-N 1 2 225.282 3.477 20 0 BGADLO C[C@H](c1ccccc1)[N@H+](CC(F)F)C1CC1 ZINC000603409949 349958761 /nfs/dbraw/zinc/95/87/61/349958761.db2.gz SSMCOTHROBVKEG-SNVBAGLBSA-N 1 2 225.282 3.477 20 0 BGADLO FC(F)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000603412456 349961226 /nfs/dbraw/zinc/96/12/26/349961226.db2.gz PIUYVCRBDRRORU-UHFFFAOYSA-N 1 2 247.329 3.065 20 0 BGADLO Cc1ccc(C)n1C1CC[NH+](CC(F)F)CC1 ZINC000603412458 349961136 /nfs/dbraw/zinc/96/11/36/349961136.db2.gz RNMOSEUVFYKQHR-UHFFFAOYSA-N 1 2 242.313 3.007 20 0 BGADLO FC(F)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000603413250 349962278 /nfs/dbraw/zinc/96/22/78/349962278.db2.gz WFEDAHGLWGZWPH-CYBMUJFWSA-N 1 2 239.309 3.206 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000603413250 349962276 /nfs/dbraw/zinc/96/22/76/349962276.db2.gz WFEDAHGLWGZWPH-CYBMUJFWSA-N 1 2 239.309 3.206 20 0 BGADLO FC(F)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000603413251 349962120 /nfs/dbraw/zinc/96/21/20/349962120.db2.gz WFEDAHGLWGZWPH-ZDUSSCGKSA-N 1 2 239.309 3.206 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000603413251 349962117 /nfs/dbraw/zinc/96/21/17/349962117.db2.gz WFEDAHGLWGZWPH-ZDUSSCGKSA-N 1 2 239.309 3.206 20 0 BGADLO FC(F)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000603413894 349962724 /nfs/dbraw/zinc/96/27/24/349962724.db2.gz JCTSHLXFFXRBQW-CYBMUJFWSA-N 1 2 239.309 3.349 20 0 BGADLO FC(F)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000603413894 349962720 /nfs/dbraw/zinc/96/27/20/349962720.db2.gz JCTSHLXFFXRBQW-CYBMUJFWSA-N 1 2 239.309 3.349 20 0 BGADLO FC(F)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000603413896 349963228 /nfs/dbraw/zinc/96/32/28/349963228.db2.gz JCTSHLXFFXRBQW-ZDUSSCGKSA-N 1 2 239.309 3.349 20 0 BGADLO FC(F)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000603413896 349963226 /nfs/dbraw/zinc/96/32/26/349963226.db2.gz JCTSHLXFFXRBQW-ZDUSSCGKSA-N 1 2 239.309 3.349 20 0 BGADLO Cc1ccccc1[C@@H]1CC[N@@H+](CC(F)F)C1 ZINC000603413948 349962890 /nfs/dbraw/zinc/96/28/90/349962890.db2.gz PDYWZTSVPUWELN-LLVKDONJSA-N 1 2 225.282 3.049 20 0 BGADLO Cc1ccccc1[C@@H]1CC[N@H+](CC(F)F)C1 ZINC000603413948 349962886 /nfs/dbraw/zinc/96/28/86/349962886.db2.gz PDYWZTSVPUWELN-LLVKDONJSA-N 1 2 225.282 3.049 20 0 BGADLO Cc1ccccc1[C@H]1CC[N@@H+](CC(F)F)C1 ZINC000603413949 349962775 /nfs/dbraw/zinc/96/27/75/349962775.db2.gz PDYWZTSVPUWELN-NSHDSACASA-N 1 2 225.282 3.049 20 0 BGADLO Cc1ccccc1[C@H]1CC[N@H+](CC(F)F)C1 ZINC000603413949 349962773 /nfs/dbraw/zinc/96/27/73/349962773.db2.gz PDYWZTSVPUWELN-NSHDSACASA-N 1 2 225.282 3.049 20 0 BGADLO FC(F)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000603416304 349963927 /nfs/dbraw/zinc/96/39/27/349963927.db2.gz PZDCLCRYWMWXNB-JTQLQIEISA-N 1 2 245.700 3.394 20 0 BGADLO FC(F)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000603416304 349963923 /nfs/dbraw/zinc/96/39/23/349963923.db2.gz PZDCLCRYWMWXNB-JTQLQIEISA-N 1 2 245.700 3.394 20 0 BGADLO FC(F)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000603416309 349963892 /nfs/dbraw/zinc/96/38/92/349963892.db2.gz PZDCLCRYWMWXNB-SNVBAGLBSA-N 1 2 245.700 3.394 20 0 BGADLO FC(F)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000603416309 349963886 /nfs/dbraw/zinc/96/38/86/349963886.db2.gz PZDCLCRYWMWXNB-SNVBAGLBSA-N 1 2 245.700 3.394 20 0 BGADLO Cc1occc1C[NH2+]Cc1csc(C2CC2)n1 ZINC000603512211 349985808 /nfs/dbraw/zinc/98/58/08/349985808.db2.gz XNDCDBBILCXESI-UHFFFAOYSA-N 1 2 248.351 3.212 20 0 BGADLO CCC[C@@H](C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603882678 350047748 /nfs/dbraw/zinc/04/77/48/350047748.db2.gz UXQUXWMOJZVXAG-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CCC[C@H](C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603882679 350047562 /nfs/dbraw/zinc/04/75/62/350047562.db2.gz UXQUXWMOJZVXAG-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO Cc1cccc2c1CCC[N@@H+]2CC(C)C ZINC000603942818 350058050 /nfs/dbraw/zinc/05/80/50/350058050.db2.gz CFWRNNZKMJUYBQ-UHFFFAOYSA-N 1 2 203.329 3.404 20 0 BGADLO Cc1cccc2c1CCC[N@H+]2CC(C)C ZINC000603942818 350058047 /nfs/dbraw/zinc/05/80/47/350058047.db2.gz CFWRNNZKMJUYBQ-UHFFFAOYSA-N 1 2 203.329 3.404 20 0 BGADLO Cc1cccc2c1CCC[N@H+]2CC1CCOCC1 ZINC000603943406 350058061 /nfs/dbraw/zinc/05/80/61/350058061.db2.gz PXOIIKKGMJFEDJ-UHFFFAOYSA-N 1 2 245.366 3.174 20 0 BGADLO Cc1cccc2c1CCC[N@@H+]2CC1CCOCC1 ZINC000603943406 350058058 /nfs/dbraw/zinc/05/80/58/350058058.db2.gz PXOIIKKGMJFEDJ-UHFFFAOYSA-N 1 2 245.366 3.174 20 0 BGADLO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(F)F ZINC000603944932 350058710 /nfs/dbraw/zinc/05/87/10/350058710.db2.gz WLUAUWCDENILDT-GFCCVEGCSA-N 1 2 225.282 3.261 20 0 BGADLO CC[C@@H]1c2ccccc2CC[N@H+]1CC(F)F ZINC000603944932 350058706 /nfs/dbraw/zinc/05/87/06/350058706.db2.gz WLUAUWCDENILDT-GFCCVEGCSA-N 1 2 225.282 3.261 20 0 BGADLO CC[C@H]1c2ccccc2CC[N@@H+]1CC(F)F ZINC000603944937 350058677 /nfs/dbraw/zinc/05/86/77/350058677.db2.gz WLUAUWCDENILDT-LBPRGKRZSA-N 1 2 225.282 3.261 20 0 BGADLO CC[C@H]1c2ccccc2CC[N@H+]1CC(F)F ZINC000603944937 350058674 /nfs/dbraw/zinc/05/86/74/350058674.db2.gz WLUAUWCDENILDT-LBPRGKRZSA-N 1 2 225.282 3.261 20 0 BGADLO CCC[C@@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000604034455 350071747 /nfs/dbraw/zinc/07/17/47/350071747.db2.gz YWIYUWIRIXBDPR-GFCCVEGCSA-N 1 2 248.374 3.067 20 0 BGADLO CCC[C@@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000604034455 350071744 /nfs/dbraw/zinc/07/17/44/350071744.db2.gz YWIYUWIRIXBDPR-GFCCVEGCSA-N 1 2 248.374 3.067 20 0 BGADLO CCC[C@H](C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000604034456 350071647 /nfs/dbraw/zinc/07/16/47/350071647.db2.gz YWIYUWIRIXBDPR-LBPRGKRZSA-N 1 2 248.374 3.067 20 0 BGADLO CCC[C@H](C)Nc1cc(N2CCCCC2)nc[nH+]1 ZINC000604034456 350071644 /nfs/dbraw/zinc/07/16/44/350071644.db2.gz YWIYUWIRIXBDPR-LBPRGKRZSA-N 1 2 248.374 3.067 20 0 BGADLO Cc1ccccc1C[C@H]1CCC[N@H+]1CC(F)F ZINC000604052198 350074633 /nfs/dbraw/zinc/07/46/33/350074633.db2.gz WXJQBNOBHLOLJK-CYBMUJFWSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1ccccc1C[C@H]1CCC[N@@H+]1CC(F)F ZINC000604052198 350074632 /nfs/dbraw/zinc/07/46/32/350074632.db2.gz WXJQBNOBHLOLJK-CYBMUJFWSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1ccccc1C[C@@H]1CCC[N@H+]1CC(F)F ZINC000604052208 350074684 /nfs/dbraw/zinc/07/46/84/350074684.db2.gz WXJQBNOBHLOLJK-ZDUSSCGKSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CC(F)F ZINC000604052208 350074683 /nfs/dbraw/zinc/07/46/83/350074683.db2.gz WXJQBNOBHLOLJK-ZDUSSCGKSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1cc(N[C@H]2CC[C@H](C)CC2)nc(C2CC2)[nH+]1 ZINC000604756580 350187856 /nfs/dbraw/zinc/18/78/56/350187856.db2.gz MWMVGHGGCPKXGB-MJHDQNEOSA-N 1 2 245.370 3.075 20 0 BGADLO Cc1cc(N(C)CCC(C)C)nc(C2CC2)[nH+]1 ZINC000604756920 350187761 /nfs/dbraw/zinc/18/77/61/350187761.db2.gz GFJKHZFTFXIWBV-UHFFFAOYSA-N 1 2 233.359 3.145 20 0 BGADLO CC(C)n1ccc(C[N@@H+](C)Cc2ccsc2)n1 ZINC000604884061 350196304 /nfs/dbraw/zinc/19/63/04/350196304.db2.gz JIMRNPZGBWOCAI-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO CC(C)n1ccc(C[N@H+](C)Cc2ccsc2)n1 ZINC000604884061 350196302 /nfs/dbraw/zinc/19/63/02/350196302.db2.gz JIMRNPZGBWOCAI-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1ccn(C(C)C)n1 ZINC000604884570 350196254 /nfs/dbraw/zinc/19/62/54/350196254.db2.gz PSPMQTBMTGLUID-UHFFFAOYSA-N 1 2 247.342 3.079 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1ccn(C(C)C)n1 ZINC000604884570 350196250 /nfs/dbraw/zinc/19/62/50/350196250.db2.gz PSPMQTBMTGLUID-UHFFFAOYSA-N 1 2 247.342 3.079 20 0 BGADLO Fc1ccc(CC[N@H+](CC(F)F)C2CC2)cc1 ZINC000604903098 350197336 /nfs/dbraw/zinc/19/73/36/350197336.db2.gz KPKRKXRPHVZDMR-UHFFFAOYSA-N 1 2 243.272 3.098 20 0 BGADLO Fc1ccc(CC[N@@H+](CC(F)F)C2CC2)cc1 ZINC000604903098 350197334 /nfs/dbraw/zinc/19/73/34/350197334.db2.gz KPKRKXRPHVZDMR-UHFFFAOYSA-N 1 2 243.272 3.098 20 0 BGADLO CCCC[C@@H](CC)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000604977600 350230557 /nfs/dbraw/zinc/23/05/57/350230557.db2.gz GXFMAAOEPHAJJX-CYBMUJFWSA-N 1 2 248.370 3.357 20 0 BGADLO CCCC[C@H](CC)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000604977601 350230031 /nfs/dbraw/zinc/23/00/31/350230031.db2.gz GXFMAAOEPHAJJX-ZDUSSCGKSA-N 1 2 248.370 3.357 20 0 BGADLO c1ccc(NC[C@@H]2CCc3ccccc3C2)[nH+]c1 ZINC000604995560 350233541 /nfs/dbraw/zinc/23/35/41/350233541.db2.gz LPBIVFFNDJIYIY-CYBMUJFWSA-N 1 2 238.334 3.299 20 0 BGADLO c1ccc(NC[C@H]2CCc3ccccc3C2)[nH+]c1 ZINC000604995561 350233585 /nfs/dbraw/zinc/23/35/85/350233585.db2.gz LPBIVFFNDJIYIY-ZDUSSCGKSA-N 1 2 238.334 3.299 20 0 BGADLO CC(C)(C)CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606198577 350286377 /nfs/dbraw/zinc/28/63/77/350286377.db2.gz MKHFJWMWWFPOPA-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO CC(C)c1nc(NCCCC(C)(C)C)cc[nH+]1 ZINC000606896813 350621410 /nfs/dbraw/zinc/62/14/10/350621410.db2.gz YJQJIXGZUKWLQR-UHFFFAOYSA-N 1 2 235.375 3.260 20 0 BGADLO CCC[N@@H+](Cc1ccon1)Cc1ccccc1F ZINC000607151352 351029759 /nfs/dbraw/zinc/02/97/59/351029759.db2.gz IGGCDHVXPAZZHO-UHFFFAOYSA-N 1 2 248.301 3.226 20 0 BGADLO CCC[N@H+](Cc1ccon1)Cc1ccccc1F ZINC000607151352 351029756 /nfs/dbraw/zinc/02/97/56/351029756.db2.gz IGGCDHVXPAZZHO-UHFFFAOYSA-N 1 2 248.301 3.226 20 0 BGADLO CC[N@@H+](Cc1ccon1)Cc1ccc(C)cc1 ZINC000607151419 351029522 /nfs/dbraw/zinc/02/95/22/351029522.db2.gz XJYUXAOKYCZSCM-UHFFFAOYSA-N 1 2 230.311 3.005 20 0 BGADLO CC[N@H+](Cc1ccon1)Cc1ccc(C)cc1 ZINC000607151419 351029520 /nfs/dbraw/zinc/02/95/20/351029520.db2.gz XJYUXAOKYCZSCM-UHFFFAOYSA-N 1 2 230.311 3.005 20 0 BGADLO CCC[N@@H+](CC(F)F)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000607157619 351028149 /nfs/dbraw/zinc/02/81/49/351028149.db2.gz ALSRABPLOIDSKN-GHMZBOCLSA-N 1 2 249.345 3.167 20 0 BGADLO CCC[N@H+](CC(F)F)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000607157619 351028147 /nfs/dbraw/zinc/02/81/47/351028147.db2.gz ALSRABPLOIDSKN-GHMZBOCLSA-N 1 2 249.345 3.167 20 0 BGADLO CCC[N@@H+](CC(F)F)[C@@H]1C[C@H](OCC)C1(C)C ZINC000607157620 351028361 /nfs/dbraw/zinc/02/83/61/351028361.db2.gz ALSRABPLOIDSKN-MNOVXSKESA-N 1 2 249.345 3.167 20 0 BGADLO CCC[N@H+](CC(F)F)[C@@H]1C[C@H](OCC)C1(C)C ZINC000607157620 351028359 /nfs/dbraw/zinc/02/83/59/351028359.db2.gz ALSRABPLOIDSKN-MNOVXSKESA-N 1 2 249.345 3.167 20 0 BGADLO CCC[N@@H+](CC(F)F)[C@H]1C[C@H](OCC)C1(C)C ZINC000607157621 351028248 /nfs/dbraw/zinc/02/82/48/351028248.db2.gz ALSRABPLOIDSKN-QWRGUYRKSA-N 1 2 249.345 3.167 20 0 BGADLO CCC[N@H+](CC(F)F)[C@H]1C[C@H](OCC)C1(C)C ZINC000607157621 351028246 /nfs/dbraw/zinc/02/82/46/351028246.db2.gz ALSRABPLOIDSKN-QWRGUYRKSA-N 1 2 249.345 3.167 20 0 BGADLO CCC[N@@H+](CC(F)F)[C@H]1C[C@@H](OCC)C1(C)C ZINC000607157622 351028194 /nfs/dbraw/zinc/02/81/94/351028194.db2.gz ALSRABPLOIDSKN-WDEREUQCSA-N 1 2 249.345 3.167 20 0 BGADLO CCC[N@H+](CC(F)F)[C@H]1C[C@@H](OCC)C1(C)C ZINC000607157622 351028192 /nfs/dbraw/zinc/02/81/92/351028192.db2.gz ALSRABPLOIDSKN-WDEREUQCSA-N 1 2 249.345 3.167 20 0 BGADLO CC[N@@H+](CC1(C)COC1)c1cc(C)ccc1C ZINC000607286176 386478618 /nfs/dbraw/zinc/47/86/18/386478618.db2.gz ZDZUEKCNXGZCIO-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@H+](CC1(C)COC1)c1cc(C)ccc1C ZINC000607286176 386478613 /nfs/dbraw/zinc/47/86/13/386478613.db2.gz ZDZUEKCNXGZCIO-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO CCc1cc(Nc2ccc(C)cc2)nc(C)[nH+]1 ZINC000607722744 342780557 /nfs/dbraw/zinc/78/05/57/342780557.db2.gz UXUJMUZSDHKHHI-UHFFFAOYSA-N 1 2 227.311 3.399 20 0 BGADLO CCN(Cc1ccc(C)cc1)c1cc[nH+]c(C)n1 ZINC000608081193 352731861 /nfs/dbraw/zinc/73/18/61/352731861.db2.gz RMNAOTRAPSROID-UHFFFAOYSA-N 1 2 241.338 3.120 20 0 BGADLO CCC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccn1 ZINC000608082372 352745027 /nfs/dbraw/zinc/74/50/27/352745027.db2.gz ULXGVOMWBOGTNQ-CYBMUJFWSA-N 1 2 242.326 3.133 20 0 BGADLO CCC[C@H](Nc1cc[nH+]c(C)n1)c1ccccn1 ZINC000608082374 352745223 /nfs/dbraw/zinc/74/52/23/352745223.db2.gz ULXGVOMWBOGTNQ-ZDUSSCGKSA-N 1 2 242.326 3.133 20 0 BGADLO Cc1cccc2c1CC[C@@H]2Nc1cc[nH+]c(C)n1 ZINC000608083313 352755863 /nfs/dbraw/zinc/75/58/63/352755863.db2.gz AADAILPYHPOZOV-AWEZNQCLSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1cccc2c1CC[C@H]2Nc1cc[nH+]c(C)n1 ZINC000608083314 352756037 /nfs/dbraw/zinc/75/60/37/352756037.db2.gz AADAILPYHPOZOV-CQSZACIVSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1ccc2c(c1)[C@@H](Nc1cc[nH+]c(C)n1)CC2 ZINC000608085475 352904679 /nfs/dbraw/zinc/90/46/79/352904679.db2.gz UJAUXCARHFBCAQ-AWEZNQCLSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1ccc2c(c1)[C@H](Nc1cc[nH+]c(C)n1)CC2 ZINC000608085476 352904539 /nfs/dbraw/zinc/90/45/39/352904539.db2.gz UJAUXCARHFBCAQ-CQSZACIVSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1nc(N[C@@H]2CCc3ccc(F)cc32)cc[nH+]1 ZINC000608085482 352904562 /nfs/dbraw/zinc/90/45/62/352904562.db2.gz VAUGEAFUUOTEAQ-CYBMUJFWSA-N 1 2 243.285 3.024 20 0 BGADLO Cc1nc(N[C@H]2CCc3ccc(F)cc32)cc[nH+]1 ZINC000608085490 352904753 /nfs/dbraw/zinc/90/47/53/352904753.db2.gz VAUGEAFUUOTEAQ-ZDUSSCGKSA-N 1 2 243.285 3.024 20 0 BGADLO CCc1cc(N[C@H]2C[C@H]2C2CCCCC2)nc[nH+]1 ZINC000608089393 353110491 /nfs/dbraw/zinc/11/04/91/353110491.db2.gz OTRHABNDEOVWCT-KBPBESRZSA-N 1 2 245.370 3.420 20 0 BGADLO CCc1cc(N[C@H]2C[C@@H]2C2CCCCC2)nc[nH+]1 ZINC000608089394 353110184 /nfs/dbraw/zinc/11/01/84/353110184.db2.gz OTRHABNDEOVWCT-KGLIPLIRSA-N 1 2 245.370 3.420 20 0 BGADLO CCc1cc(N[C@@H]2C[C@H]2C2CCCCC2)nc[nH+]1 ZINC000608089395 353110328 /nfs/dbraw/zinc/11/03/28/353110328.db2.gz OTRHABNDEOVWCT-UONOGXRCSA-N 1 2 245.370 3.420 20 0 BGADLO CCc1cc(N[C@@H]2C[C@@H]2C2CCCCC2)nc[nH+]1 ZINC000608089396 353110173 /nfs/dbraw/zinc/11/01/73/353110173.db2.gz OTRHABNDEOVWCT-ZIAGYGMSSA-N 1 2 245.370 3.420 20 0 BGADLO c1cc(N2C3CCCC2CCC3)nc(C2CC2)[nH+]1 ZINC000608090762 353112593 /nfs/dbraw/zinc/11/25/93/353112593.db2.gz AGTPEKFOGCXHDL-UHFFFAOYSA-N 1 2 243.354 3.265 20 0 BGADLO CCc1cc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)nc[nH+]1 ZINC000608090767 353112886 /nfs/dbraw/zinc/11/28/86/353112886.db2.gz AXULIVTUWVTJGZ-MBNYWOFBSA-N 1 2 245.370 3.420 20 0 BGADLO CCc1cc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)nc[nH+]1 ZINC000608090768 353112754 /nfs/dbraw/zinc/11/27/54/353112754.db2.gz AXULIVTUWVTJGZ-OUCADQQQSA-N 1 2 245.370 3.420 20 0 BGADLO CCc1cc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)nc[nH+]1 ZINC000608090769 353112669 /nfs/dbraw/zinc/11/26/69/353112669.db2.gz AXULIVTUWVTJGZ-SGMGOOAPSA-N 1 2 245.370 3.420 20 0 BGADLO CCc1cc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)nc[nH+]1 ZINC000608090770 353112748 /nfs/dbraw/zinc/11/27/48/353112748.db2.gz AXULIVTUWVTJGZ-YRGRVCCFSA-N 1 2 245.370 3.420 20 0 BGADLO c1ccc(N2CCC(C3CCCC3)CC2)[nH+]c1 ZINC000608092597 353121856 /nfs/dbraw/zinc/12/18/56/353121856.db2.gz VAABPTLSPJCMQE-UHFFFAOYSA-N 1 2 230.355 3.488 20 0 BGADLO Cc1nc(N2CCC(C3CCCC3)CC2)cc[nH+]1 ZINC000608092635 353121846 /nfs/dbraw/zinc/12/18/46/353121846.db2.gz AIGRMXDFYJCKST-UHFFFAOYSA-N 1 2 245.370 3.192 20 0 BGADLO Cc1cc(N2CCC(C3CCCC3)CC2)nc[nH+]1 ZINC000608092707 353122595 /nfs/dbraw/zinc/12/25/95/353122595.db2.gz GENKXFRYSIKWGL-UHFFFAOYSA-N 1 2 245.370 3.192 20 0 BGADLO Cc1ccc(C[N@@H+](Cc2ncc(C)o2)C2CC2)o1 ZINC000608492688 355818209 /nfs/dbraw/zinc/81/82/09/355818209.db2.gz SLOSZYAVAVNMAT-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1ccc(C[N@H+](Cc2ncc(C)o2)C2CC2)o1 ZINC000608492688 355818208 /nfs/dbraw/zinc/81/82/08/355818208.db2.gz SLOSZYAVAVNMAT-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO CC(C)c1nc(C[NH+]2C3CCCC2CCC3)no1 ZINC000608499764 355827807 /nfs/dbraw/zinc/82/78/07/355827807.db2.gz YWTVFPJKIFWLOI-UHFFFAOYSA-N 1 2 249.358 3.100 20 0 BGADLO FC(F)C[NH+]1CCC(C2CCCC2)CC1 ZINC000608502027 355829580 /nfs/dbraw/zinc/82/95/80/355829580.db2.gz GDPISZUHFMZIFB-UHFFFAOYSA-N 1 2 217.303 3.154 20 0 BGADLO CC(C)C[N@@H+](CC1(C)COC1)c1ccccc1 ZINC000608561158 355859083 /nfs/dbraw/zinc/85/90/83/355859083.db2.gz PKEARHDEHZTLCU-UHFFFAOYSA-N 1 2 233.355 3.186 20 0 BGADLO CC(C)C[N@H+](CC1(C)COC1)c1ccccc1 ZINC000608561158 355859081 /nfs/dbraw/zinc/85/90/81/355859081.db2.gz PKEARHDEHZTLCU-UHFFFAOYSA-N 1 2 233.355 3.186 20 0 BGADLO CCC(C)(C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000608587460 355870915 /nfs/dbraw/zinc/87/09/15/355870915.db2.gz ZXCFMGITVGTYHA-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO c1cn(CCS[C@H]2CCc3ccccc32)c[nH+]1 ZINC000611190341 359028604 /nfs/dbraw/zinc/02/86/04/359028604.db2.gz RRJJPVZCAIDGTQ-AWEZNQCLSA-N 1 2 244.363 3.304 20 0 BGADLO c1cn(CCS[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000611190342 359028290 /nfs/dbraw/zinc/02/82/90/359028290.db2.gz RRJJPVZCAIDGTQ-CQSZACIVSA-N 1 2 244.363 3.304 20 0 BGADLO Cc1ccc(NC(=O)[C@H]2CCC2(C)C)c(C)[nH+]1 ZINC000612226096 359740924 /nfs/dbraw/zinc/74/09/24/359740924.db2.gz GOFICBNNIBAHOG-LLVKDONJSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CCC2(C)C)c(C)[nH+]1 ZINC000612226097 359740943 /nfs/dbraw/zinc/74/09/43/359740943.db2.gz GOFICBNNIBAHOG-NSHDSACASA-N 1 2 232.327 3.073 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c(C)[nH+]1 ZINC000612227732 359740896 /nfs/dbraw/zinc/74/08/96/359740896.db2.gz WQBOWIAKCSXNQO-UPJWGTAASA-N 1 2 244.338 3.073 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c(C)[nH+]1 ZINC000612227736 359740976 /nfs/dbraw/zinc/74/09/76/359740976.db2.gz WQBOWIAKCSXNQO-YNEHKIRRSA-N 1 2 244.338 3.073 20 0 BGADLO Cc1cc(NC(=O)C[C@@H](C)CC(C)(C)C)cc[nH+]1 ZINC000613197438 360735051 /nfs/dbraw/zinc/73/50/51/360735051.db2.gz SGAMUUNBPGSAQW-LLVKDONJSA-N 1 2 248.370 3.213 20 0 BGADLO Cc1cc(NC(=O)C[C@H](C)CC(C)(C)C)cc[nH+]1 ZINC000613197439 360735190 /nfs/dbraw/zinc/73/51/90/360735190.db2.gz SGAMUUNBPGSAQW-NSHDSACASA-N 1 2 248.370 3.213 20 0 BGADLO CCCCCNc1ccc2cc(OC)ccc2[nH+]1 ZINC000613307811 363088111 /nfs/dbraw/zinc/08/81/11/363088111.db2.gz GTHVOEHCJKDXFZ-UHFFFAOYSA-N 1 2 244.338 3.267 20 0 BGADLO CCCCN(C)c1ccc2cc(OC)ccc2[nH+]1 ZINC000613309655 363091311 /nfs/dbraw/zinc/09/13/11/363091311.db2.gz JKKABDGVJZWECJ-UHFFFAOYSA-N 1 2 244.338 3.480 20 0 BGADLO COc1ccc2[nH+]c(NCCC(C)C)ccc2c1 ZINC000613310609 363095183 /nfs/dbraw/zinc/09/51/83/363095183.db2.gz VAYKILNWYTZSAA-UHFFFAOYSA-N 1 2 244.338 3.123 20 0 BGADLO CCC(CC)Nc1ccc2cc(OC)ccc2[nH+]1 ZINC000613314380 363099935 /nfs/dbraw/zinc/09/99/35/363099935.db2.gz MEARMMLGFBXHMZ-UHFFFAOYSA-N 1 2 244.338 3.266 20 0 BGADLO COc1ccc2[nH+]c(NC3CCCC3)ccc2c1 ZINC000613314535 363100108 /nfs/dbraw/zinc/10/01/08/363100108.db2.gz OWZWZBLLCYOJOI-UHFFFAOYSA-N 1 2 242.322 3.020 20 0 BGADLO CCC[C@@H](C)Nc1ccc2cc(OC)ccc2[nH+]1 ZINC000613400647 398098455 /nfs/dbraw/zinc/09/84/55/398098455.db2.gz XHEYTCAYDMYCMC-LLVKDONJSA-N 1 2 244.338 3.266 20 0 BGADLO CCC[C@H](C)Nc1ccc2cc(OC)ccc2[nH+]1 ZINC000613400648 398098374 /nfs/dbraw/zinc/09/83/74/398098374.db2.gz XHEYTCAYDMYCMC-NSHDSACASA-N 1 2 244.338 3.266 20 0 BGADLO COc1ccc2[nH+]c(N(C)CC3CC3)ccc2c1 ZINC000613564939 363494294 /nfs/dbraw/zinc/49/42/94/363494294.db2.gz KOEIRDNGTULZDI-UHFFFAOYSA-N 1 2 242.322 3.090 20 0 BGADLO CC(C)(C)CCCSCCn1cc[nH+]c1 ZINC000614802891 363980446 /nfs/dbraw/zinc/98/04/46/363980446.db2.gz WWLLXUJNQVBTOQ-UHFFFAOYSA-N 1 2 226.389 3.443 20 0 BGADLO Cc1cccn2c(NC(=O)CCC(C)C)c[nH+]c12 ZINC000619010797 369257302 /nfs/dbraw/zinc/25/73/02/369257302.db2.gz JCFVVZDTVBGICN-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO Cc1cccn2c(NC(=O)CC(C)(C)C)c[nH+]c12 ZINC000619010874 369257149 /nfs/dbraw/zinc/25/71/49/369257149.db2.gz LIBXRMRJADFYLN-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO CCCCCC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619011029 369256932 /nfs/dbraw/zinc/25/69/32/369256932.db2.gz OAUSGYJPJJCYGX-UHFFFAOYSA-N 1 2 245.326 3.162 20 0 BGADLO CCC(CC)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619012980 369257345 /nfs/dbraw/zinc/25/73/45/369257345.db2.gz LAKVXBHWVPPWJO-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO CCC[C@@H](C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619013469 369257521 /nfs/dbraw/zinc/25/75/21/369257521.db2.gz OZTDRUDZHICTEQ-LLVKDONJSA-N 1 2 245.326 3.017 20 0 BGADLO CCC[C@H](C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619013470 369257619 /nfs/dbraw/zinc/25/76/19/369257619.db2.gz OZTDRUDZHICTEQ-NSHDSACASA-N 1 2 245.326 3.017 20 0 BGADLO CCC(C)(C)C(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619013873 369257628 /nfs/dbraw/zinc/25/76/28/369257628.db2.gz ZYXQPMGMOIGJOV-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO CC[C@H](C)CC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619014526 368957490 /nfs/dbraw/zinc/95/74/90/368957490.db2.gz OCXIXFIHFRZYMM-JTQLQIEISA-N 1 2 245.326 3.017 20 0 BGADLO CC[C@@H](C)CC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000619014529 368957937 /nfs/dbraw/zinc/95/79/37/368957937.db2.gz OCXIXFIHFRZYMM-SNVBAGLBSA-N 1 2 245.326 3.017 20 0 BGADLO COc1ccc2[nH+]c(NCC(C)(C)C)ccc2c1 ZINC000619537225 369467111 /nfs/dbraw/zinc/46/71/11/369467111.db2.gz VPFIWZNUXYWTFF-UHFFFAOYSA-N 1 2 244.338 3.123 20 0 BGADLO Cc1cn2ccc(NC(=O)CCC(C)C)cc2[nH+]1 ZINC000620648123 369972601 /nfs/dbraw/zinc/97/26/01/369972601.db2.gz VBHSABORBBXWSY-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO Cc1cn2ccc(NC(=O)CC(C)(C)C)cc2[nH+]1 ZINC000620648498 369972578 /nfs/dbraw/zinc/97/25/78/369972578.db2.gz CXWVOMARZATHRD-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO CCC(CC)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620648565 369972463 /nfs/dbraw/zinc/97/24/63/369972463.db2.gz DRGYPSIGIDOFCM-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO CCCCCC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620649077 369972609 /nfs/dbraw/zinc/97/26/09/369972609.db2.gz SGADGWGMJVLPPR-UHFFFAOYSA-N 1 2 245.326 3.162 20 0 BGADLO CCC(C)(C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620649166 369972898 /nfs/dbraw/zinc/97/28/98/369972898.db2.gz VVFMZPLKPRZHNE-UHFFFAOYSA-N 1 2 245.326 3.017 20 0 BGADLO CCC[C@H](C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620650138 369972203 /nfs/dbraw/zinc/97/22/03/369972203.db2.gz NGHQHPSNLFGNOC-JTQLQIEISA-N 1 2 245.326 3.017 20 0 BGADLO CCC[C@@H](C)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620650139 369972310 /nfs/dbraw/zinc/97/23/10/369972310.db2.gz NGHQHPSNLFGNOC-SNVBAGLBSA-N 1 2 245.326 3.017 20 0 BGADLO CC[C@H](C)CC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620651603 369972664 /nfs/dbraw/zinc/97/26/64/369972664.db2.gz RDQRIIOZXCYDQX-JTQLQIEISA-N 1 2 245.326 3.017 20 0 BGADLO CC[C@@H](C)CC(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000620651605 369973680 /nfs/dbraw/zinc/97/36/80/369973680.db2.gz RDQRIIOZXCYDQX-SNVBAGLBSA-N 1 2 245.326 3.017 20 0 BGADLO COc1ccc2[nH+]c(N(C)CC(C)C)ccc2c1 ZINC000620931228 370062351 /nfs/dbraw/zinc/06/23/51/370062351.db2.gz TVELYHVSXPXVJT-UHFFFAOYSA-N 1 2 244.338 3.336 20 0 BGADLO CCCN(C)c1ccc2cc(OC)ccc2[nH+]1 ZINC000621266771 370198196 /nfs/dbraw/zinc/19/81/96/370198196.db2.gz GVSZZAXROQVNAT-UHFFFAOYSA-N 1 2 230.311 3.090 20 0 BGADLO CCCc1ccc(C[NH2+]Cc2cn[nH]c2C)s1 ZINC000621328623 370259386 /nfs/dbraw/zinc/25/93/86/370259386.db2.gz ZYXYTXAQWJLKQV-UHFFFAOYSA-N 1 2 249.383 3.022 20 0 BGADLO FC1(F)C[C@H]1CCNc1ccc2ccccc2[nH+]1 ZINC000621344443 370277735 /nfs/dbraw/zinc/27/77/35/370277735.db2.gz HOLHCVIFIVBETG-LLVKDONJSA-N 1 2 248.276 3.114 20 0 BGADLO FC1(F)C[C@@H]1CCNc1ccc2ccccc2[nH+]1 ZINC000621344444 370277563 /nfs/dbraw/zinc/27/75/63/370277563.db2.gz HOLHCVIFIVBETG-NSHDSACASA-N 1 2 248.276 3.114 20 0 BGADLO CCCc1ccc(C[NH2+]CC(F)F)s1 ZINC000621353233 370289141 /nfs/dbraw/zinc/28/91/41/370289141.db2.gz ONXIDQBCJVCDDF-UHFFFAOYSA-N 1 2 219.300 3.055 20 0 BGADLO CCCc1ccc(C[NH2+]CC(C)(F)F)s1 ZINC000621357466 370293079 /nfs/dbraw/zinc/29/30/79/370293079.db2.gz PGRSPZFKRCRIBR-UHFFFAOYSA-N 1 2 233.327 3.445 20 0 BGADLO Cc1noc([C@H](C)[N@H+]2Cc3ccccc3[C@@H]2C)n1 ZINC000621397644 370336134 /nfs/dbraw/zinc/33/61/34/370336134.db2.gz PEARXLIJRPNSGI-UWVGGRQHSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1noc([C@H](C)[N@@H+]2Cc3ccccc3[C@@H]2C)n1 ZINC000621397644 370336129 /nfs/dbraw/zinc/33/61/29/370336129.db2.gz PEARXLIJRPNSGI-UWVGGRQHSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1noc([C@@H](C)[N@H+]2Cc3ccccc3[C@@H]2C)n1 ZINC000621397645 370335931 /nfs/dbraw/zinc/33/59/31/370335931.db2.gz PEARXLIJRPNSGI-VHSXEESVSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1noc([C@@H](C)[N@@H+]2Cc3ccccc3[C@@H]2C)n1 ZINC000621397645 370335929 /nfs/dbraw/zinc/33/59/29/370335929.db2.gz PEARXLIJRPNSGI-VHSXEESVSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1nc(C[N@H+]2Cc3ccccc3[C@@H]2C)co1 ZINC000621399828 370337866 /nfs/dbraw/zinc/33/78/66/370337866.db2.gz KBCONZFIGPXINL-JTQLQIEISA-N 1 2 228.295 3.060 20 0 BGADLO Cc1nc(C[N@@H+]2Cc3ccccc3[C@@H]2C)co1 ZINC000621399828 370337862 /nfs/dbraw/zinc/33/78/62/370337862.db2.gz KBCONZFIGPXINL-JTQLQIEISA-N 1 2 228.295 3.060 20 0 BGADLO Cc1nc(C[N@H+]2Cc3ccccc3[C@@H]2C)c(C)o1 ZINC000621399990 370337324 /nfs/dbraw/zinc/33/73/24/370337324.db2.gz ZKEFRBLWRCXRPO-JTQLQIEISA-N 1 2 242.322 3.368 20 0 BGADLO Cc1nc(C[N@@H+]2Cc3ccccc3[C@@H]2C)c(C)o1 ZINC000621399990 370337321 /nfs/dbraw/zinc/33/73/21/370337321.db2.gz ZKEFRBLWRCXRPO-JTQLQIEISA-N 1 2 242.322 3.368 20 0 BGADLO CCCc1ccc(C[N@@H+](C)Cc2cc[nH]n2)s1 ZINC000621716027 370465080 /nfs/dbraw/zinc/46/50/80/370465080.db2.gz OZCDGUDBFLROAV-UHFFFAOYSA-N 1 2 249.383 3.056 20 0 BGADLO CCCc1ccc(C[N@H+](C)Cc2cc[nH]n2)s1 ZINC000621716027 370465077 /nfs/dbraw/zinc/46/50/77/370465077.db2.gz OZCDGUDBFLROAV-UHFFFAOYSA-N 1 2 249.383 3.056 20 0 BGADLO CCCc1ccc(C[N@@H+](C)Cc2cnc[nH]2)s1 ZINC000621731835 370486360 /nfs/dbraw/zinc/48/63/60/370486360.db2.gz BBWSFBZLKSZZRG-UHFFFAOYSA-N 1 2 249.383 3.056 20 0 BGADLO CCCc1ccc(C[N@H+](C)Cc2cnc[nH]2)s1 ZINC000621731835 370486359 /nfs/dbraw/zinc/48/63/59/370486359.db2.gz BBWSFBZLKSZZRG-UHFFFAOYSA-N 1 2 249.383 3.056 20 0 BGADLO CCCc1ccc(C[N@@H+](C)Cc2c[nH]cn2)s1 ZINC000621731835 370486358 /nfs/dbraw/zinc/48/63/58/370486358.db2.gz BBWSFBZLKSZZRG-UHFFFAOYSA-N 1 2 249.383 3.056 20 0 BGADLO CCCc1ccc(C[N@H+](C)Cc2c[nH]cn2)s1 ZINC000621731835 370486357 /nfs/dbraw/zinc/48/63/57/370486357.db2.gz BBWSFBZLKSZZRG-UHFFFAOYSA-N 1 2 249.383 3.056 20 0 BGADLO Clc1cnc(C[NH+]2CC(CC3CC3)C2)s1 ZINC000621740174 370497941 /nfs/dbraw/zinc/49/79/41/370497941.db2.gz BRVNZQSSEVLQKZ-UHFFFAOYSA-N 1 2 242.775 3.028 20 0 BGADLO c1sc(C2CC2)nc1C[NH+]1CC(CC2CC2)C1 ZINC000621740375 370491984 /nfs/dbraw/zinc/49/19/84/370491984.db2.gz MVSPCVZEGAGVMZ-UHFFFAOYSA-N 1 2 248.395 3.252 20 0 BGADLO CCCC[C@@H](C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000621860653 370569344 /nfs/dbraw/zinc/56/93/44/370569344.db2.gz APYAQPSYKLQDPB-CYBMUJFWSA-N 1 2 248.370 3.213 20 0 BGADLO CCCC[C@H](C(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000621860654 370569616 /nfs/dbraw/zinc/56/96/16/370569616.db2.gz APYAQPSYKLQDPB-ZDUSSCGKSA-N 1 2 248.370 3.213 20 0 BGADLO Cc1ccccc1[N@H+](C)C[C@H]1CCO[C@@H](C)C1 ZINC000622764444 343649436 /nfs/dbraw/zinc/64/94/36/343649436.db2.gz LYRVKPZYLUXCCN-KBPBESRZSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@@H+](C)C[C@H]1CCO[C@@H](C)C1 ZINC000622764444 343649433 /nfs/dbraw/zinc/64/94/33/343649433.db2.gz LYRVKPZYLUXCCN-KBPBESRZSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000622764445 343649522 /nfs/dbraw/zinc/64/95/22/343649522.db2.gz LYRVKPZYLUXCCN-KGLIPLIRSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000622764445 343649521 /nfs/dbraw/zinc/64/95/21/343649521.db2.gz LYRVKPZYLUXCCN-KGLIPLIRSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@H+](C)C[C@@H]1CCO[C@@H](C)C1 ZINC000622764446 343649231 /nfs/dbraw/zinc/64/92/31/343649231.db2.gz LYRVKPZYLUXCCN-UONOGXRCSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@@H+](C)C[C@@H]1CCO[C@@H](C)C1 ZINC000622764446 343649228 /nfs/dbraw/zinc/64/92/28/343649228.db2.gz LYRVKPZYLUXCCN-UONOGXRCSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000622764447 343649467 /nfs/dbraw/zinc/64/94/67/343649467.db2.gz LYRVKPZYLUXCCN-ZIAGYGMSSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccccc1[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000622764447 343649464 /nfs/dbraw/zinc/64/94/64/343649464.db2.gz LYRVKPZYLUXCCN-ZIAGYGMSSA-N 1 2 233.355 3.246 20 0 BGADLO CCOC1CC(C[N@@H+](C)c2ccccc2C)C1 ZINC000622764619 343649220 /nfs/dbraw/zinc/64/92/20/343649220.db2.gz UGCYXAARCNDLGP-UHFFFAOYSA-N 1 2 233.355 3.246 20 0 BGADLO CCOC1CC(C[N@H+](C)c2ccccc2C)C1 ZINC000622764619 343649217 /nfs/dbraw/zinc/64/92/17/343649217.db2.gz UGCYXAARCNDLGP-UHFFFAOYSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1cc(C)c(NC(=O)C2CC3(CC3)C2)c(C)[nH+]1 ZINC000622776875 343669068 /nfs/dbraw/zinc/66/90/68/343669068.db2.gz UAHWLMZSWTYZRS-UHFFFAOYSA-N 1 2 244.338 3.136 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@H]2CCC2(C)C)c(C)[nH+]1 ZINC000622776919 343668593 /nfs/dbraw/zinc/66/85/93/343668593.db2.gz VWJOLSJZUWXUGU-GFCCVEGCSA-N 1 2 246.354 3.382 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@@H]2CCC2(C)C)c(C)[nH+]1 ZINC000622776920 343668916 /nfs/dbraw/zinc/66/89/16/343668916.db2.gz VWJOLSJZUWXUGU-LBPRGKRZSA-N 1 2 246.354 3.382 20 0 BGADLO Cc1occc1CNc1ccc2ccccc2[nH+]1 ZINC000622812376 343709998 /nfs/dbraw/zinc/70/99/98/343709998.db2.gz UNWAQKUWLLGNGW-UHFFFAOYSA-N 1 2 238.290 3.170 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCC1(C)C ZINC000622866615 344435323 /nfs/dbraw/zinc/43/53/23/344435323.db2.gz MINAIGVSYOCFGB-LLVKDONJSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCC1(C)C ZINC000622866616 344435549 /nfs/dbraw/zinc/43/55/49/344435549.db2.gz MINAIGVSYOCFGB-NSHDSACASA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000622866705 344435184 /nfs/dbraw/zinc/43/51/84/344435184.db2.gz PIXUIZMYEXHDLV-UPJWGTAASA-N 1 2 244.338 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000622866707 344435207 /nfs/dbraw/zinc/43/52/07/344435207.db2.gz PIXUIZMYEXHDLV-YNEHKIRRSA-N 1 2 244.338 3.073 20 0 BGADLO Cn1c[nH+]cc1-c1ccccc1CC(F)(F)F ZINC000623171141 353217828 /nfs/dbraw/zinc/21/78/28/353217828.db2.gz PWJRLMXNRLVWGC-UHFFFAOYSA-N 1 2 240.228 3.192 20 0 BGADLO CC(C)([NH2+]Cc1ccc2cc[nH]c2c1)C(F)F ZINC000623510939 362935457 /nfs/dbraw/zinc/93/54/57/362935457.db2.gz RVRIRZHJRPYMRT-UHFFFAOYSA-N 1 2 238.281 3.301 20 0 BGADLO C[C@@H](CF)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623526075 362945764 /nfs/dbraw/zinc/94/57/64/362945764.db2.gz JZLZUUKTIYPXIT-LURJTMIESA-N 1 2 237.652 3.066 20 0 BGADLO C[C@H](CF)[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623526076 362945245 /nfs/dbraw/zinc/94/52/45/362945245.db2.gz JZLZUUKTIYPXIT-ZCFIWIBFSA-N 1 2 237.652 3.066 20 0 BGADLO Cc1cc(C[NH2+]C2(C(F)F)CCCC2)ccn1 ZINC000623526670 362945234 /nfs/dbraw/zinc/94/52/34/362945234.db2.gz NDJNDZREWPMSBN-UHFFFAOYSA-N 1 2 240.297 3.058 20 0 BGADLO COc1cc(C[NH2+]CC(C)(F)F)ccc1Cl ZINC000623532974 362952528 /nfs/dbraw/zinc/95/25/28/362952528.db2.gz ODGVTJLSYQLIKY-UHFFFAOYSA-N 1 2 249.688 3.093 20 0 BGADLO Cc1c[nH+]c(C)c(NCc2ccnc(C)c2)c1 ZINC000623559434 362982475 /nfs/dbraw/zinc/98/24/75/362982475.db2.gz ARQWWJNKWNJGRF-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1cc(C[NH2+]CC(F)(F)C(C)(C)C)ccn1 ZINC000623574670 363004340 /nfs/dbraw/zinc/00/43/40/363004340.db2.gz UABKEVZZLKJBDT-UHFFFAOYSA-N 1 2 242.313 3.161 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1scnc1C1CC1 ZINC000623678921 388614799 /nfs/dbraw/zinc/61/47/99/388614799.db2.gz BHIKARQILKEUSL-UHFFFAOYSA-N 1 2 246.326 3.155 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000623678978 388614190 /nfs/dbraw/zinc/61/41/90/388614190.db2.gz DNOYDPLTJRGLAE-UHFFFAOYSA-N 1 2 238.281 3.303 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccc(C)cc1OC ZINC000623679005 388614563 /nfs/dbraw/zinc/61/45/63/388614563.db2.gz FEKSCTRUYMIRBS-UHFFFAOYSA-N 1 2 243.297 3.139 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000623679028 388614307 /nfs/dbraw/zinc/61/43/07/388614307.db2.gz FVTBEZBDDZSDJI-UHFFFAOYSA-N 1 2 238.281 3.303 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000623679061 388614154 /nfs/dbraw/zinc/61/41/54/388614154.db2.gz HDTHITKSQCVTLC-UHFFFAOYSA-N 1 2 238.281 3.303 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000623679286 369378708 /nfs/dbraw/zinc/37/87/08/369378708.db2.gz QBOHYSYBBMYXMS-UHFFFAOYSA-N 1 2 243.297 3.139 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccsc1C ZINC000623679362 369378555 /nfs/dbraw/zinc/37/85/55/369378555.db2.gz SQWUONZNNYQWFW-UHFFFAOYSA-N 1 2 219.300 3.191 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cccc(C)c1F ZINC000623679382 369378631 /nfs/dbraw/zinc/37/86/31/369378631.db2.gz UHCPMPKUKNLUGG-UHFFFAOYSA-N 1 2 231.261 3.269 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cc(F)ccc1C ZINC000623679420 369379952 /nfs/dbraw/zinc/37/99/52/369379952.db2.gz WWQFXNIYDRWMIQ-UHFFFAOYSA-N 1 2 231.261 3.269 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1csc(C)c1 ZINC000623679426 369380238 /nfs/dbraw/zinc/38/02/38/369380238.db2.gz XFEQDEXINRIKJJ-UHFFFAOYSA-N 1 2 219.300 3.191 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cc(COC)cs1 ZINC000623679435 369379706 /nfs/dbraw/zinc/37/97/06/369379706.db2.gz XNPQNCXZOYOJJI-UHFFFAOYSA-N 1 2 249.326 3.029 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000623679646 398290177 /nfs/dbraw/zinc/29/01/77/398290177.db2.gz CXVGRMUIEAKXET-UHFFFAOYSA-N 1 2 238.281 3.303 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cc(C)sc1C ZINC000623679657 398290471 /nfs/dbraw/zinc/29/04/71/398290471.db2.gz DIYRAFQMZWFVJS-UHFFFAOYSA-N 1 2 233.327 3.500 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccc(F)cc1C ZINC000623679686 398290532 /nfs/dbraw/zinc/29/05/32/398290532.db2.gz FTNGLXIUKUVBND-UHFFFAOYSA-N 1 2 231.261 3.269 20 0 BGADLO CCC(F)(F)C[NH2+]C/C=C/c1ccccc1 ZINC000623679723 398290545 /nfs/dbraw/zinc/29/05/45/398290545.db2.gz HCEUJWXZLLPCGG-RMKNXTFCSA-N 1 2 225.282 3.335 20 0 BGADLO CCC(F)(F)C[NH2+]C/C=C\c1ccccc1 ZINC000623679724 398290648 /nfs/dbraw/zinc/29/06/48/398290648.db2.gz HCEUJWXZLLPCGG-TWGQIWQCSA-N 1 2 225.282 3.335 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccc(C)c(F)c1 ZINC000623679867 369381774 /nfs/dbraw/zinc/38/17/74/369381774.db2.gz NMRCAJLWQKXHHM-UHFFFAOYSA-N 1 2 231.261 3.269 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccc(F)c(C)c1 ZINC000623679881 369381706 /nfs/dbraw/zinc/38/17/06/369381706.db2.gz OCIRGESPKHCERR-UHFFFAOYSA-N 1 2 231.261 3.269 20 0 BGADLO CCc1ccc(C[NH2+]CC(F)(F)CC)s1 ZINC000623679885 369381737 /nfs/dbraw/zinc/38/17/37/369381737.db2.gz OGAKGRLUYRJWDC-UHFFFAOYSA-N 1 2 233.327 3.445 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cc(C)ccc1F ZINC000623679935 369381821 /nfs/dbraw/zinc/38/18/21/369381821.db2.gz QHEIWRGIPJCKNS-UHFFFAOYSA-N 1 2 231.261 3.269 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000623679954 369381646 /nfs/dbraw/zinc/38/16/46/369381646.db2.gz QRIHJWQKGGPPQV-UHFFFAOYSA-N 1 2 238.281 3.303 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000623679980 369381923 /nfs/dbraw/zinc/38/19/23/369381923.db2.gz RUQLGCKLBLLZCE-UHFFFAOYSA-N 1 2 246.326 3.155 20 0 BGADLO CCC(F)(F)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000623680072 369381597 /nfs/dbraw/zinc/38/15/97/369381597.db2.gz WOVYTIZHIZDJRS-ARJAWSKDSA-N 1 2 243.272 3.474 20 0 BGADLO CCC(F)(F)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000623680073 369381953 /nfs/dbraw/zinc/38/19/53/369381953.db2.gz WOVYTIZHIZDJRS-ONEGZZNKSA-N 1 2 243.272 3.474 20 0 BGADLO CCOc1cccc(C[NH2+]CC(F)(F)CC)c1 ZINC000623680075 369381742 /nfs/dbraw/zinc/38/17/42/369381742.db2.gz WTIGUEWSPFLBSC-UHFFFAOYSA-N 1 2 243.297 3.220 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000623680110 369381757 /nfs/dbraw/zinc/38/17/57/369381757.db2.gz XYCYTKMIPZOVAF-UHFFFAOYSA-N 1 2 235.224 3.100 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccccc1Cl ZINC000623680195 369387551 /nfs/dbraw/zinc/38/75/51/369387551.db2.gz ACKMMARCOWUVLB-UHFFFAOYSA-N 1 2 233.689 3.475 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccc(C)cc1 ZINC000623680247 369388006 /nfs/dbraw/zinc/38/80/06/369388006.db2.gz CNUBORORBPNQGU-UHFFFAOYSA-N 1 2 213.271 3.130 20 0 BGADLO CCOc1ccccc1C[NH2+]CC(F)(F)CC ZINC000623680253 369388149 /nfs/dbraw/zinc/38/81/49/369388149.db2.gz CYJPNQTVWYUPAX-UHFFFAOYSA-N 1 2 243.297 3.220 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1sccc1C ZINC000623680362 369389203 /nfs/dbraw/zinc/38/92/03/369389203.db2.gz JDARDKRBBIOPFH-UHFFFAOYSA-N 1 2 219.300 3.191 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cccc(Cl)c1 ZINC000623680397 369388933 /nfs/dbraw/zinc/38/89/33/369388933.db2.gz JYYQFRLDYLSQFD-UHFFFAOYSA-N 1 2 233.689 3.475 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccc(C)s1 ZINC000623680610 369390442 /nfs/dbraw/zinc/39/04/42/369390442.db2.gz RRMVQTMUSATOIY-UHFFFAOYSA-N 1 2 219.300 3.191 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cc(C)ccc1OC ZINC000623680666 369390343 /nfs/dbraw/zinc/39/03/43/369390343.db2.gz UMCBXFDEOKOAJY-UHFFFAOYSA-N 1 2 243.297 3.139 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccccc1C ZINC000623680720 369390503 /nfs/dbraw/zinc/39/05/03/369390503.db2.gz WONWTNKHOILPAZ-UHFFFAOYSA-N 1 2 213.271 3.130 20 0 BGADLO CCOc1ccc(C[NH2+]CC(F)(F)CC)cc1 ZINC000623680745 369391772 /nfs/dbraw/zinc/39/17/72/369391772.db2.gz XXXQHYZHAQSPOZ-UHFFFAOYSA-N 1 2 243.297 3.220 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cccc(C)c1 ZINC000623680751 369391627 /nfs/dbraw/zinc/39/16/27/369391627.db2.gz YCTFZVAGXMOFLP-UHFFFAOYSA-N 1 2 213.271 3.130 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccc(Cl)cc1 ZINC000623680777 369391603 /nfs/dbraw/zinc/39/16/03/369391603.db2.gz ZDZAYCARSHNFBU-UHFFFAOYSA-N 1 2 233.689 3.475 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000623680791 369391519 /nfs/dbraw/zinc/39/15/19/369391519.db2.gz ZWAPWAUIWGZYIL-UHFFFAOYSA-N 1 2 235.224 3.100 20 0 BGADLO CC(C)(C)C[NH2+]c1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000623777131 363549479 /nfs/dbraw/zinc/54/94/79/363549479.db2.gz QJUQXWWGSQZTTM-UHFFFAOYSA-N 1 2 245.326 3.036 20 0 BGADLO CC[C@@H](C)C[NH2+]c1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000623777221 371088322 /nfs/dbraw/zinc/08/83/22/371088322.db2.gz VFNWQTLYWFFQIU-LLVKDONJSA-N 1 2 245.326 3.036 20 0 BGADLO CC[C@H](C)C[NH2+]c1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000623777222 371087799 /nfs/dbraw/zinc/08/77/99/371087799.db2.gz VFNWQTLYWFFQIU-NSHDSACASA-N 1 2 245.326 3.036 20 0 BGADLO c1ccc2c(c1)cc[nH+]c2N1CCCSCC1 ZINC000623866204 350934278 /nfs/dbraw/zinc/93/42/78/350934278.db2.gz OFRYMOFCWRHMHY-UHFFFAOYSA-N 1 2 244.363 3.178 20 0 BGADLO Cc1occc1C[NH2+][C@@H]1CCCc2scnc21 ZINC000623876759 352421966 /nfs/dbraw/zinc/42/19/66/352421966.db2.gz FBDWSZDIIBKLCE-LLVKDONJSA-N 1 2 248.351 3.212 20 0 BGADLO Cc1occc1C[NH2+][C@H]1CCCc2scnc21 ZINC000623876760 352422192 /nfs/dbraw/zinc/42/21/92/352422192.db2.gz FBDWSZDIIBKLCE-NSHDSACASA-N 1 2 248.351 3.212 20 0 BGADLO C[C@@H]1CN(c2[nH+]ccc3ccccc32)CCS1 ZINC000623938063 371166896 /nfs/dbraw/zinc/16/68/96/371166896.db2.gz BTBLSMQVJIANGA-LLVKDONJSA-N 1 2 244.363 3.177 20 0 BGADLO Cc1ccc(N[C@@H](C)[C@H]2CCCCO2)c(C)[nH+]1 ZINC000623942786 359290477 /nfs/dbraw/zinc/29/04/77/359290477.db2.gz SVQACWOFTCDADW-GXTWGEPZSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1ccc(N[C@@H](C)[C@@H]2CCCCO2)c(C)[nH+]1 ZINC000623942787 359290550 /nfs/dbraw/zinc/29/05/50/359290550.db2.gz SVQACWOFTCDADW-JSGCOSHPSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1ccc(N[C@H](C)[C@@H]2CCCCO2)c(C)[nH+]1 ZINC000623942788 359290616 /nfs/dbraw/zinc/29/06/16/359290616.db2.gz SVQACWOFTCDADW-OCCSQVGLSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1ccc(N[C@H](C)[C@H]2CCCCO2)c(C)[nH+]1 ZINC000623942789 359290516 /nfs/dbraw/zinc/29/05/16/359290516.db2.gz SVQACWOFTCDADW-TZMCWYRMSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1ccoc1C[NH2+][C@H]1CCCc2scnc21 ZINC000623987761 371219970 /nfs/dbraw/zinc/21/99/70/371219970.db2.gz NTKIGJULVSGPRR-JTQLQIEISA-N 1 2 248.351 3.212 20 0 BGADLO Cc1ccoc1C[NH2+][C@@H]1CCCc2scnc21 ZINC000623987762 371219641 /nfs/dbraw/zinc/21/96/41/371219641.db2.gz NTKIGJULVSGPRR-SNVBAGLBSA-N 1 2 248.351 3.212 20 0 BGADLO C[C@@H]1CCCN1c1[nH+]ccc2ccccc21 ZINC000624006752 371243272 /nfs/dbraw/zinc/24/32/72/371243272.db2.gz DGEZWJMIHBPMOP-LLVKDONJSA-N 1 2 212.296 3.224 20 0 BGADLO C[C@H]1CCCN1c1[nH+]ccc2ccccc21 ZINC000624006753 371242813 /nfs/dbraw/zinc/24/28/13/371242813.db2.gz DGEZWJMIHBPMOP-NSHDSACASA-N 1 2 212.296 3.224 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000624007867 371244294 /nfs/dbraw/zinc/24/42/94/371244294.db2.gz GUPOFYDXPICNOO-BPNCWPANSA-N 1 2 246.354 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000624007868 371245058 /nfs/dbraw/zinc/24/50/58/371245058.db2.gz GUPOFYDXPICNOO-SWHYSGLUSA-N 1 2 246.354 3.075 20 0 BGADLO FC1(F)CCN(c2[nH+]ccc3ccccc32)C1 ZINC000624086353 371298196 /nfs/dbraw/zinc/29/81/96/371298196.db2.gz CKMFAOLBYMUKJR-UHFFFAOYSA-N 1 2 234.249 3.080 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccccc1OC ZINC000624146495 347227170 /nfs/dbraw/zinc/22/71/70/347227170.db2.gz ADNMQJQVVYYRAC-JTQLQIEISA-N 1 2 243.297 3.391 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1ccccc1OC ZINC000624146496 347227161 /nfs/dbraw/zinc/22/71/61/347227161.db2.gz ADNMQJQVVYYRAC-SNVBAGLBSA-N 1 2 243.297 3.391 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000624146765 371342065 /nfs/dbraw/zinc/34/20/65/371342065.db2.gz JLLZSZMYGFHMLD-SECBINFHSA-N 1 2 217.259 3.284 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000624146766 371341643 /nfs/dbraw/zinc/34/16/43/371341643.db2.gz JLLZSZMYGFHMLD-VIFPVBQESA-N 1 2 217.259 3.284 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H]1CCc2ccccc21 ZINC000624146829 371342001 /nfs/dbraw/zinc/34/20/01/371342001.db2.gz LLXKAEQPJDROJS-GFCCVEGCSA-N 1 2 225.282 3.309 20 0 BGADLO CCC(F)(F)C[NH2+][C@H]1CCc2ccccc21 ZINC000624146830 371341799 /nfs/dbraw/zinc/34/17/99/371341799.db2.gz LLXKAEQPJDROJS-LBPRGKRZSA-N 1 2 225.282 3.309 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000624147028 371341805 /nfs/dbraw/zinc/34/18/05/371341805.db2.gz QZHKIZGBKNTMMH-JTQLQIEISA-N 1 2 243.297 3.391 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000624147029 371342010 /nfs/dbraw/zinc/34/20/10/371342010.db2.gz QZHKIZGBKNTMMH-SNVBAGLBSA-N 1 2 243.297 3.391 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000624147117 371341533 /nfs/dbraw/zinc/34/15/33/371341533.db2.gz UTVRMTBQSODYCO-JTQLQIEISA-N 1 2 243.297 3.391 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000624147118 371341148 /nfs/dbraw/zinc/34/11/48/371341148.db2.gz UTVRMTBQSODYCO-SNVBAGLBSA-N 1 2 243.297 3.391 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1cccs1 ZINC000624147167 371341652 /nfs/dbraw/zinc/34/16/52/371341652.db2.gz VSTATTAHJUHMAO-MRVPVSSYSA-N 1 2 219.300 3.444 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1cccs1 ZINC000624147168 371341120 /nfs/dbraw/zinc/34/11/20/371341120.db2.gz VSTATTAHJUHMAO-QMMMGPOBSA-N 1 2 219.300 3.444 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccccc1 ZINC000624147202 371341282 /nfs/dbraw/zinc/34/12/82/371341282.db2.gz WTCREONCLLXXJO-JTQLQIEISA-N 1 2 213.271 3.383 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1ccccc1 ZINC000624147203 371341205 /nfs/dbraw/zinc/34/12/05/371341205.db2.gz WTCREONCLLXXJO-SNVBAGLBSA-N 1 2 213.271 3.383 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000624147572 371341707 /nfs/dbraw/zinc/34/17/07/371341707.db2.gz FFVOKOOIZWFUOE-GFCCVEGCSA-N 1 2 243.272 3.448 20 0 BGADLO CCC(F)(F)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000624147573 371341777 /nfs/dbraw/zinc/34/17/77/371341777.db2.gz FFVOKOOIZWFUOE-LBPRGKRZSA-N 1 2 243.272 3.448 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000624147687 347260688 /nfs/dbraw/zinc/26/06/88/347260688.db2.gz IEMABEMDGMFYGE-JTQLQIEISA-N 1 2 245.317 3.160 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000624147688 347261355 /nfs/dbraw/zinc/26/13/55/347261355.db2.gz IEMABEMDGMFYGE-SNVBAGLBSA-N 1 2 245.317 3.160 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000624147785 371342973 /nfs/dbraw/zinc/34/29/73/371342973.db2.gz KUSMTKSBSKBHGF-GFCCVEGCSA-N 1 2 243.272 3.448 20 0 BGADLO CCC(F)(F)C[NH2+][C@H]1CCc2c1cccc2F ZINC000624147786 371343401 /nfs/dbraw/zinc/34/34/01/371343401.db2.gz KUSMTKSBSKBHGF-LBPRGKRZSA-N 1 2 243.272 3.448 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000624147852 371343027 /nfs/dbraw/zinc/34/30/27/371343027.db2.gz MWWIBEWVVXKDNT-GFCCVEGCSA-N 1 2 242.313 3.414 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000624147853 371343570 /nfs/dbraw/zinc/34/35/70/371343570.db2.gz MWWIBEWVVXKDNT-LBPRGKRZSA-N 1 2 242.313 3.414 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000624148036 371343502 /nfs/dbraw/zinc/34/35/02/371343502.db2.gz SSRFJGWIVFTSQK-JTQLQIEISA-N 1 2 242.313 3.394 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000624148037 371342568 /nfs/dbraw/zinc/34/25/68/371342568.db2.gz SSRFJGWIVFTSQK-SNVBAGLBSA-N 1 2 242.313 3.394 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000624148085 347263200 /nfs/dbraw/zinc/26/32/00/347263200.db2.gz UWBKXVJCKJBNJZ-SSDOTTSWSA-N 1 2 234.315 3.147 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000624148086 347263239 /nfs/dbraw/zinc/26/32/39/347263239.db2.gz UWBKXVJCKJBNJZ-ZETCQYMHSA-N 1 2 234.315 3.147 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000624148120 371342987 /nfs/dbraw/zinc/34/29/87/371342987.db2.gz VTIXADGOMTYDKX-GFCCVEGCSA-N 1 2 243.272 3.448 20 0 BGADLO CCC(F)(F)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000624148121 371344682 /nfs/dbraw/zinc/34/46/82/371344682.db2.gz VTIXADGOMTYDKX-LBPRGKRZSA-N 1 2 243.272 3.448 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1ccsc1 ZINC000624148133 371344861 /nfs/dbraw/zinc/34/48/61/371344861.db2.gz WHWARKFBUIBBSX-MRVPVSSYSA-N 1 2 219.300 3.444 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccsc1 ZINC000624148134 371344521 /nfs/dbraw/zinc/34/45/21/371344521.db2.gz WHWARKFBUIBBSX-QMMMGPOBSA-N 1 2 219.300 3.444 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000624148195 371344112 /nfs/dbraw/zinc/34/41/12/371344112.db2.gz XZCWYFOMCBJZKB-SSDOTTSWSA-N 1 2 248.342 3.456 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000624148196 371344663 /nfs/dbraw/zinc/34/46/63/371344663.db2.gz XZCWYFOMCBJZKB-ZETCQYMHSA-N 1 2 248.342 3.456 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000624148251 347265378 /nfs/dbraw/zinc/26/53/78/347265378.db2.gz ZFSXEJDEZUBJSO-SECBINFHSA-N 1 2 229.270 3.088 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000624148252 347265323 /nfs/dbraw/zinc/26/53/23/347265323.db2.gz ZFSXEJDEZUBJSO-VIFPVBQESA-N 1 2 229.270 3.088 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1cnccc1C ZINC000624148259 347266285 /nfs/dbraw/zinc/26/62/85/347266285.db2.gz ZIBJXLLASJFLHR-JTQLQIEISA-N 1 2 228.286 3.086 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1cnccc1C ZINC000624148260 347266388 /nfs/dbraw/zinc/26/63/88/347266388.db2.gz ZIBJXLLASJFLHR-SNVBAGLBSA-N 1 2 228.286 3.086 20 0 BGADLO CCC(F)(F)C[NH2+][C@H]1CCCc2occc21 ZINC000624148493 371344451 /nfs/dbraw/zinc/34/44/51/371344451.db2.gz GJUUXAVCNGFVOI-JTQLQIEISA-N 1 2 229.270 3.292 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H]1CCCc2occc21 ZINC000624148494 371345026 /nfs/dbraw/zinc/34/50/26/371345026.db2.gz GJUUXAVCNGFVOI-SNVBAGLBSA-N 1 2 229.270 3.292 20 0 BGADLO CC[C@@H]([NH2+]CC(F)(F)CC)c1ccncc1 ZINC000624148536 371344357 /nfs/dbraw/zinc/34/43/57/371344357.db2.gz HNESDMNQILQTEG-LLVKDONJSA-N 1 2 228.286 3.168 20 0 BGADLO CC[C@H]([NH2+]CC(F)(F)CC)c1ccncc1 ZINC000624148537 371344327 /nfs/dbraw/zinc/34/43/27/371344327.db2.gz HNESDMNQILQTEG-NSHDSACASA-N 1 2 228.286 3.168 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1sccc1OC ZINC000624148554 371344182 /nfs/dbraw/zinc/34/41/82/371344182.db2.gz IMPXXWCZWYXERK-MRVPVSSYSA-N 1 2 249.326 3.453 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1sccc1OC ZINC000624148555 371344819 /nfs/dbraw/zinc/34/48/19/371344819.db2.gz IMPXXWCZWYXERK-QMMMGPOBSA-N 1 2 249.326 3.453 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000624148803 371345431 /nfs/dbraw/zinc/34/54/31/371345431.db2.gz OKDDRZFMJOQWAE-LLVKDONJSA-N 1 2 240.297 3.094 20 0 BGADLO CCC(F)(F)C[NH2+][C@H]1CCCc2cccnc21 ZINC000624148804 371346456 /nfs/dbraw/zinc/34/64/56/371346456.db2.gz OKDDRZFMJOQWAE-NSHDSACASA-N 1 2 240.297 3.094 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000624148859 371345920 /nfs/dbraw/zinc/34/59/20/371345920.db2.gz PUAVOCCHMFGQIS-JTQLQIEISA-N 1 2 228.286 3.086 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1cncc(C)c1 ZINC000624148860 371346244 /nfs/dbraw/zinc/34/62/44/371346244.db2.gz PUAVOCCHMFGQIS-SNVBAGLBSA-N 1 2 228.286 3.086 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](COC)c1ccccc1 ZINC000624148913 371345750 /nfs/dbraw/zinc/34/57/50/371345750.db2.gz RCYHJTXQLJIFAS-GFCCVEGCSA-N 1 2 243.297 3.009 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](COC)c1ccccc1 ZINC000624148914 371345845 /nfs/dbraw/zinc/34/58/45/371345845.db2.gz RCYHJTXQLJIFAS-LBPRGKRZSA-N 1 2 243.297 3.009 20 0 BGADLO CC[C@H]([NH2+]CC(F)(F)CC)c1ccc(F)cn1 ZINC000624149202 371347633 /nfs/dbraw/zinc/34/76/33/371347633.db2.gz ZFPNOSFNVXFWOE-JTQLQIEISA-N 1 2 246.276 3.307 20 0 BGADLO CC[C@@H]([NH2+]CC(F)(F)CC)c1ccc(F)cn1 ZINC000624149203 371347014 /nfs/dbraw/zinc/34/70/14/371347014.db2.gz ZFPNOSFNVXFWOE-SNVBAGLBSA-N 1 2 246.276 3.307 20 0 BGADLO CCc1cccnc1[C@H](C)[NH2+]CC(F)(F)CC ZINC000624149211 371347485 /nfs/dbraw/zinc/34/74/85/371347485.db2.gz ZTEZGMSMPNHRBU-JTQLQIEISA-N 1 2 242.313 3.340 20 0 BGADLO CCc1cccnc1[C@@H](C)[NH2+]CC(F)(F)CC ZINC000624149212 371347618 /nfs/dbraw/zinc/34/76/18/371347618.db2.gz ZTEZGMSMPNHRBU-SNVBAGLBSA-N 1 2 242.313 3.340 20 0 BGADLO C/C=C/C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000624198171 371387595 /nfs/dbraw/zinc/38/75/95/371387595.db2.gz HFYDGBGLUDILCV-IBUXWKBASA-N 1 2 239.309 3.419 20 0 BGADLO C/C=C\C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000624198172 342835087 /nfs/dbraw/zinc/83/50/87/342835087.db2.gz HFYDGBGLUDILCV-XQJDBVBESA-N 1 2 239.309 3.419 20 0 BGADLO C/C=C/C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000624198173 342834958 /nfs/dbraw/zinc/83/49/58/342834958.db2.gz HFYDGBGLUDILCV-YWVDXFKGSA-N 1 2 239.309 3.419 20 0 BGADLO C/C=C\C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000624198174 342834927 /nfs/dbraw/zinc/83/49/27/342834927.db2.gz HFYDGBGLUDILCV-ZRMMWKCHSA-N 1 2 239.309 3.419 20 0 BGADLO c1ccc2c(c1)cc[nH+]c2N1CCC[C@H]2C[C@H]21 ZINC000624210185 371396963 /nfs/dbraw/zinc/39/69/63/371396963.db2.gz FUOPVZNFCSLIDD-GXTWGEPZSA-N 1 2 224.307 3.224 20 0 BGADLO c1ccc2c(c1)cc[nH+]c2N1CCC[C@@H]2C[C@@H]21 ZINC000624210187 371396409 /nfs/dbraw/zinc/39/64/09/371396409.db2.gz FUOPVZNFCSLIDD-OCCSQVGLSA-N 1 2 224.307 3.224 20 0 BGADLO COCCCCN(C)c1[nH+]ccc2ccccc21 ZINC000624286792 371458828 /nfs/dbraw/zinc/45/88/28/371458828.db2.gz GAUBZSILQPYENV-UHFFFAOYSA-N 1 2 244.338 3.098 20 0 BGADLO COc1ccc[nH+]c1NCC1CCC(F)CC1 ZINC000624336403 371487290 /nfs/dbraw/zinc/48/72/90/371487290.db2.gz QUKWEJBHEMYSTG-UHFFFAOYSA-N 1 2 238.306 3.030 20 0 BGADLO COc1ccc[nH+]c1N1CCC(C2CCC2)CC1 ZINC000624393303 371497946 /nfs/dbraw/zinc/49/79/46/371497946.db2.gz SVGYAIRRVOWKKD-UHFFFAOYSA-N 1 2 246.354 3.107 20 0 BGADLO COc1ccc[nH+]c1N1CCC[C@@H](C2CCC2)C1 ZINC000624408931 343758344 /nfs/dbraw/zinc/75/83/44/343758344.db2.gz KRKSKIIMIHOYCU-CYBMUJFWSA-N 1 2 246.354 3.107 20 0 BGADLO COc1ccc[nH+]c1N1CCC[C@H](C2CCC2)C1 ZINC000624408932 343758572 /nfs/dbraw/zinc/75/85/72/343758572.db2.gz KRKSKIIMIHOYCU-ZDUSSCGKSA-N 1 2 246.354 3.107 20 0 BGADLO COc1ccc[nH+]c1NCC(F)(F)C(C)(C)C ZINC000624410319 343763487 /nfs/dbraw/zinc/76/34/87/343763487.db2.gz OVEDGSFOXAZWPR-UHFFFAOYSA-N 1 2 244.285 3.184 20 0 BGADLO CC(C)n1cc[nH+]c1CN(C)Cc1ccsc1 ZINC000624480049 371519512 /nfs/dbraw/zinc/51/95/12/371519512.db2.gz ORKBITKPPMJEFS-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO c1cc2c(nc[nH+]c2SC[C@@H]2C[C@H]3C[C@H]3C2)[nH]1 ZINC000624485546 343907651 /nfs/dbraw/zinc/90/76/51/343907651.db2.gz XNTRHOIGVPFZJD-ILWJIGKKSA-N 1 2 245.351 3.096 20 0 BGADLO Cc1ccc(C(C)(C)CNc2cccc[nH+]2)nc1 ZINC000624531877 343997752 /nfs/dbraw/zinc/99/77/52/343997752.db2.gz MGNMKFPNNACBRP-UHFFFAOYSA-N 1 2 241.338 3.175 20 0 BGADLO CCc1cc(N[C@@H]2C[C@H]2c2ccsc2)nc[nH+]1 ZINC000624635670 342805277 /nfs/dbraw/zinc/80/52/77/342805277.db2.gz SQHKSHNFCWGEDJ-NWDGAFQWSA-N 1 2 245.351 3.069 20 0 BGADLO Cc1nc(N2CCCC3(CC3)CC2)c(C)c(C)[nH+]1 ZINC000624718847 342821738 /nfs/dbraw/zinc/82/17/38/342821738.db2.gz DPAVLZZDBIHADI-UHFFFAOYSA-N 1 2 245.370 3.172 20 0 BGADLO c1cc(N2CCCC3(CC3)CC2)nc(C2CC2)[nH+]1 ZINC000624719272 342821200 /nfs/dbraw/zinc/82/12/00/342821200.db2.gz FYBSQASVKVUSCC-UHFFFAOYSA-N 1 2 243.354 3.125 20 0 BGADLO c1ccc2[nH+]c(N3CCCC4(CC4)CC3)[nH]c2c1 ZINC000624721323 342822019 /nfs/dbraw/zinc/82/20/19/342822019.db2.gz YLPKIJRNBMSJIK-UHFFFAOYSA-N 1 2 241.338 3.333 20 0 BGADLO c1ccc(NC[C@H]2CCCC23CC3)[nH+]c1 ZINC000624756703 342825325 /nfs/dbraw/zinc/82/53/25/342825325.db2.gz GIFHUSVQZXZPJA-LLVKDONJSA-N 1 2 202.301 3.074 20 0 BGADLO c1ccc(NC[C@@H]2CCCC23CC3)[nH+]c1 ZINC000624756705 342825269 /nfs/dbraw/zinc/82/52/69/342825269.db2.gz GIFHUSVQZXZPJA-NSHDSACASA-N 1 2 202.301 3.074 20 0 BGADLO COc1ccc[nH+]c1NC[C@H]1CCCC12CC2 ZINC000624759209 342826015 /nfs/dbraw/zinc/82/60/15/342826015.db2.gz YDGMXWLHAOMGLW-LLVKDONJSA-N 1 2 232.327 3.082 20 0 BGADLO COc1ccc[nH+]c1NC[C@@H]1CCCC12CC2 ZINC000624759210 342826090 /nfs/dbraw/zinc/82/60/90/342826090.db2.gz YDGMXWLHAOMGLW-NSHDSACASA-N 1 2 232.327 3.082 20 0 BGADLO C/C=C/C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000624768181 342827892 /nfs/dbraw/zinc/82/78/92/342827892.db2.gz OXAYUIACFXEFPU-IBUXWKBASA-N 1 2 216.328 3.264 20 0 BGADLO C/C=C\C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000624768182 342827908 /nfs/dbraw/zinc/82/79/08/342827908.db2.gz OXAYUIACFXEFPU-XQJDBVBESA-N 1 2 216.328 3.264 20 0 BGADLO C/C=C/C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000624768183 342827887 /nfs/dbraw/zinc/82/78/87/342827887.db2.gz OXAYUIACFXEFPU-YWVDXFKGSA-N 1 2 216.328 3.264 20 0 BGADLO C/C=C\C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000624768184 342827980 /nfs/dbraw/zinc/82/79/80/342827980.db2.gz OXAYUIACFXEFPU-ZRMMWKCHSA-N 1 2 216.328 3.264 20 0 BGADLO C[N@@H+](Cc1noc(C2CCC2)n1)C1CCCCC1 ZINC000625065999 342847942 /nfs/dbraw/zinc/84/79/42/342847942.db2.gz SQFGEIRNJFAOOQ-UHFFFAOYSA-N 1 2 249.358 3.102 20 0 BGADLO C[N@H+](Cc1noc(C2CCC2)n1)C1CCCCC1 ZINC000625065999 342847941 /nfs/dbraw/zinc/84/79/41/342847941.db2.gz SQFGEIRNJFAOOQ-UHFFFAOYSA-N 1 2 249.358 3.102 20 0 BGADLO CC[C@@H]1CCCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625066804 342848031 /nfs/dbraw/zinc/84/80/31/342848031.db2.gz YHJOOZCGZWAIRP-GFCCVEGCSA-N 1 2 249.358 3.102 20 0 BGADLO CC[C@@H]1CCCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625066804 342848030 /nfs/dbraw/zinc/84/80/30/342848030.db2.gz YHJOOZCGZWAIRP-GFCCVEGCSA-N 1 2 249.358 3.102 20 0 BGADLO CC[C@H]1CCCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625066805 342847879 /nfs/dbraw/zinc/84/78/79/342847879.db2.gz YHJOOZCGZWAIRP-LBPRGKRZSA-N 1 2 249.358 3.102 20 0 BGADLO CC[C@H]1CCCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625066805 342847878 /nfs/dbraw/zinc/84/78/78/342847878.db2.gz YHJOOZCGZWAIRP-LBPRGKRZSA-N 1 2 249.358 3.102 20 0 BGADLO CCCC[N@@H+](Cc1noc(C2CCC2)n1)C1CC1 ZINC000625080402 342849859 /nfs/dbraw/zinc/84/98/59/342849859.db2.gz PNTSOVVHCGHWKI-UHFFFAOYSA-N 1 2 249.358 3.102 20 0 BGADLO CCCC[N@H+](Cc1noc(C2CCC2)n1)C1CC1 ZINC000625080402 342849857 /nfs/dbraw/zinc/84/98/57/342849857.db2.gz PNTSOVVHCGHWKI-UHFFFAOYSA-N 1 2 249.358 3.102 20 0 BGADLO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1noc(C2CCC2)n1 ZINC000625151405 342895211 /nfs/dbraw/zinc/89/52/11/342895211.db2.gz ITDLEQMIPYQMSG-GHMZBOCLSA-N 1 2 249.358 3.100 20 0 BGADLO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625151410 342895241 /nfs/dbraw/zinc/89/52/41/342895241.db2.gz ITDLEQMIPYQMSG-PHIMTYICSA-N 1 2 249.358 3.100 20 0 BGADLO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625151410 342895240 /nfs/dbraw/zinc/89/52/40/342895240.db2.gz ITDLEQMIPYQMSG-PHIMTYICSA-N 1 2 249.358 3.100 20 0 BGADLO C[C@H]1CCC[C@H](C)[NH+]1Cc1noc(C2CCC2)n1 ZINC000625151411 342895224 /nfs/dbraw/zinc/89/52/24/342895224.db2.gz ITDLEQMIPYQMSG-QWRGUYRKSA-N 1 2 249.358 3.100 20 0 BGADLO C[C@@H]1CCCCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625166963 342898901 /nfs/dbraw/zinc/89/89/01/342898901.db2.gz IVPOPQCARLLNGT-LLVKDONJSA-N 1 2 249.358 3.102 20 0 BGADLO C[C@@H]1CCCCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625166963 342898900 /nfs/dbraw/zinc/89/89/00/342898900.db2.gz IVPOPQCARLLNGT-LLVKDONJSA-N 1 2 249.358 3.102 20 0 BGADLO C[C@H]1CCCCC[N@H+]1Cc1noc(C2CCC2)n1 ZINC000625166964 342899033 /nfs/dbraw/zinc/89/90/33/342899033.db2.gz IVPOPQCARLLNGT-NSHDSACASA-N 1 2 249.358 3.102 20 0 BGADLO C[C@H]1CCCCC[N@@H+]1Cc1noc(C2CCC2)n1 ZINC000625166964 342899032 /nfs/dbraw/zinc/89/90/32/342899032.db2.gz IVPOPQCARLLNGT-NSHDSACASA-N 1 2 249.358 3.102 20 0 BGADLO CC(C)[N@@H+](Cc1noc(C2CCC2)n1)C1CCC1 ZINC000625254113 343068298 /nfs/dbraw/zinc/06/82/98/343068298.db2.gz ILOPSYHUSZBVHQ-UHFFFAOYSA-N 1 2 249.358 3.100 20 0 BGADLO CC(C)[N@H+](Cc1noc(C2CCC2)n1)C1CCC1 ZINC000625254113 343068297 /nfs/dbraw/zinc/06/82/97/343068297.db2.gz ILOPSYHUSZBVHQ-UHFFFAOYSA-N 1 2 249.358 3.100 20 0 BGADLO CCC[C@@H](C)CCC[N@@H+](C)Cc1noc(C)n1 ZINC000625303979 343228931 /nfs/dbraw/zinc/22/89/31/343228931.db2.gz WUETVYQVIXNZII-LLVKDONJSA-N 1 2 239.363 3.026 20 0 BGADLO CCC[C@@H](C)CCC[N@H+](C)Cc1noc(C)n1 ZINC000625303979 343228929 /nfs/dbraw/zinc/22/89/29/343228929.db2.gz WUETVYQVIXNZII-LLVKDONJSA-N 1 2 239.363 3.026 20 0 BGADLO CCC[C@H](C)CCC[N@@H+](C)Cc1noc(C)n1 ZINC000625303981 343229234 /nfs/dbraw/zinc/22/92/34/343229234.db2.gz WUETVYQVIXNZII-NSHDSACASA-N 1 2 239.363 3.026 20 0 BGADLO CCC[C@H](C)CCC[N@H+](C)Cc1noc(C)n1 ZINC000625303981 343229232 /nfs/dbraw/zinc/22/92/32/343229232.db2.gz WUETVYQVIXNZII-NSHDSACASA-N 1 2 239.363 3.026 20 0 BGADLO C[C@@H]1C[C@@H]1C[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000625308356 385134808 /nfs/dbraw/zinc/13/48/08/385134808.db2.gz VSAJXWUNPUOWCH-HLTSFMKQSA-N 1 2 223.282 3.209 20 0 BGADLO C[C@@H]1C[C@H]1C[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000625308375 385134503 /nfs/dbraw/zinc/13/45/03/385134503.db2.gz VSAJXWUNPUOWCH-HRDYMLBCSA-N 1 2 223.282 3.209 20 0 BGADLO C[C@@H]1C[C@@H]1C[NH2+][C@H](C(C)(C)C)C(F)(F)F ZINC000625308377 385134792 /nfs/dbraw/zinc/13/47/92/385134792.db2.gz VSAJXWUNPUOWCH-IWSPIJDZSA-N 1 2 223.282 3.209 20 0 BGADLO C[C@@H]1C[C@H]1C[NH2+][C@@H](C(C)(C)C)C(F)(F)F ZINC000625308382 385135311 /nfs/dbraw/zinc/13/53/11/385135311.db2.gz VSAJXWUNPUOWCH-VGMNWLOBSA-N 1 2 223.282 3.209 20 0 BGADLO C[C@@H]1C[C@H]1C[NH2+][C@H](c1ccccc1)C(F)F ZINC000625448549 343771515 /nfs/dbraw/zinc/77/15/15/343771515.db2.gz WICCFFHOHCZHGR-ADEWGFFLSA-N 1 2 225.282 3.238 20 0 BGADLO C[C@@H]1C[C@@H]1C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000625448557 343771335 /nfs/dbraw/zinc/77/13/35/343771335.db2.gz WICCFFHOHCZHGR-JLLWLGSASA-N 1 2 225.282 3.238 20 0 BGADLO C[C@@H]1C[C@H]1C[NH2+][C@@H](c1ccccc1)C(F)F ZINC000625448558 343771667 /nfs/dbraw/zinc/77/16/67/343771667.db2.gz WICCFFHOHCZHGR-USWWRNFRSA-N 1 2 225.282 3.238 20 0 BGADLO C[C@@H]1C[C@@H]1C[NH2+][C@H](c1ccccc1)C(F)F ZINC000625448563 343771908 /nfs/dbraw/zinc/77/19/08/343771908.db2.gz WICCFFHOHCZHGR-YUSALJHKSA-N 1 2 225.282 3.238 20 0 BGADLO CC(C)CC1([NH2+]Cc2noc(C3CCC3)n2)CC1 ZINC000625556636 343989830 /nfs/dbraw/zinc/98/98/30/343989830.db2.gz AWTJTWHFTXDNRN-UHFFFAOYSA-N 1 2 249.358 3.005 20 0 BGADLO Cc1cc(C[N@H+]2Cc3ccc(O)cc3C2)cs1 ZINC000625728330 344060156 /nfs/dbraw/zinc/06/01/56/344060156.db2.gz IZAMCYRETIXPPU-UHFFFAOYSA-N 1 2 245.347 3.278 20 0 BGADLO Cc1cc(C[N@@H+]2Cc3ccc(O)cc3C2)cs1 ZINC000625728330 344060155 /nfs/dbraw/zinc/06/01/55/344060155.db2.gz IZAMCYRETIXPPU-UHFFFAOYSA-N 1 2 245.347 3.278 20 0 BGADLO CCCc1nc(C[NH+](C2CC2)C2CC2)cs1 ZINC000625836609 344089793 /nfs/dbraw/zinc/08/97/93/344089793.db2.gz CYEOEHKQWCGTDM-UHFFFAOYSA-N 1 2 236.384 3.222 20 0 BGADLO CC(C)c1nc(C[NH+](C2CC2)C2CC2)cs1 ZINC000625836983 344089754 /nfs/dbraw/zinc/08/97/54/344089754.db2.gz BLSJMGNEXARQQW-UHFFFAOYSA-N 1 2 236.384 3.393 20 0 BGADLO CC(C)(C)c1cnc(C[NH+](C2CC2)C2CC2)o1 ZINC000625837622 344089929 /nfs/dbraw/zinc/08/99/29/344089929.db2.gz MPTVVGUMKJDCMU-UHFFFAOYSA-N 1 2 234.343 3.099 20 0 BGADLO CC(C)(C)c1cc(C[NH+](C2CC2)C2CC2)no1 ZINC000625840922 344092738 /nfs/dbraw/zinc/09/27/38/344092738.db2.gz AIZTYQHWJFINJX-UHFFFAOYSA-N 1 2 234.343 3.099 20 0 BGADLO c1sc(C2CC2)nc1C[NH+](C1CC1)C1CC1 ZINC000625843207 344094460 /nfs/dbraw/zinc/09/44/60/344094460.db2.gz QZEOLMJDWBNOSN-UHFFFAOYSA-N 1 2 234.368 3.147 20 0 BGADLO Fc1cccc(F)c1C[NH+](C1CC1)C1CC1 ZINC000625843518 344094420 /nfs/dbraw/zinc/09/44/20/344094420.db2.gz WZGSSFOHIWMIJZ-UHFFFAOYSA-N 1 2 223.266 3.092 20 0 BGADLO COc1cccc2c1C[N@@H+](Cc1cccs1)C2 ZINC000626022702 344678446 /nfs/dbraw/zinc/67/84/46/344678446.db2.gz GHNPSXCDNWXHNE-UHFFFAOYSA-N 1 2 245.347 3.273 20 0 BGADLO COc1cccc2c1C[N@H+](Cc1cccs1)C2 ZINC000626022702 344678444 /nfs/dbraw/zinc/67/84/44/344678444.db2.gz GHNPSXCDNWXHNE-UHFFFAOYSA-N 1 2 245.347 3.273 20 0 BGADLO COc1cccc2c1C[N@@H+](Cc1ccsc1)C2 ZINC000626023339 344678021 /nfs/dbraw/zinc/67/80/21/344678021.db2.gz DZYGHZRUFHEWGE-UHFFFAOYSA-N 1 2 245.347 3.273 20 0 BGADLO COc1cccc2c1C[N@H+](Cc1ccsc1)C2 ZINC000626023339 344678020 /nfs/dbraw/zinc/67/80/20/344678020.db2.gz DZYGHZRUFHEWGE-UHFFFAOYSA-N 1 2 245.347 3.273 20 0 BGADLO CC[N@@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626136333 345603435 /nfs/dbraw/zinc/60/34/35/345603435.db2.gz UQHKRGSMXWCJBN-GFCCVEGCSA-N 1 2 227.298 3.205 20 0 BGADLO CC[N@H+](C)[C@H](CCc1ccccc1)C(F)F ZINC000626136333 345603431 /nfs/dbraw/zinc/60/34/31/345603431.db2.gz UQHKRGSMXWCJBN-GFCCVEGCSA-N 1 2 227.298 3.205 20 0 BGADLO CC[N@@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626136334 345603348 /nfs/dbraw/zinc/60/33/48/345603348.db2.gz UQHKRGSMXWCJBN-LBPRGKRZSA-N 1 2 227.298 3.205 20 0 BGADLO CC[N@H+](C)[C@@H](CCc1ccccc1)C(F)F ZINC000626136334 345603347 /nfs/dbraw/zinc/60/33/47/345603347.db2.gz UQHKRGSMXWCJBN-LBPRGKRZSA-N 1 2 227.298 3.205 20 0 BGADLO CCN(Cc1[nH]c(C)c(C)[nH+]1)Cc1ccccc1 ZINC000628119545 343971369 /nfs/dbraw/zinc/97/13/69/343971369.db2.gz ZBZRVNGRRVYZIM-UHFFFAOYSA-N 1 2 243.354 3.049 20 0 BGADLO CC[N@@H+](Cc1nc(C)c(C)[nH]1)Cc1ccccc1 ZINC000628119545 343971368 /nfs/dbraw/zinc/97/13/68/343971368.db2.gz ZBZRVNGRRVYZIM-UHFFFAOYSA-N 1 2 243.354 3.049 20 0 BGADLO CC[N@H+](Cc1nc(C)c(C)[nH]1)Cc1ccccc1 ZINC000628119545 343971367 /nfs/dbraw/zinc/97/13/67/343971367.db2.gz ZBZRVNGRRVYZIM-UHFFFAOYSA-N 1 2 243.354 3.049 20 0 BGADLO Cc1c[nH]c(C[N@H+](C)Cc2cccc(Cl)c2)n1 ZINC000628119590 343967986 /nfs/dbraw/zinc/96/79/86/343967986.db2.gz BPJKVJYGEUHAKX-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c[nH]c(C[N@@H+](C)Cc2cccc(Cl)c2)n1 ZINC000628119590 343967984 /nfs/dbraw/zinc/96/79/84/343967984.db2.gz BPJKVJYGEUHAKX-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c[nH]c(CN(C)Cc2ccccc2Cl)[nH+]1 ZINC000628119723 343968140 /nfs/dbraw/zinc/96/81/40/343968140.db2.gz IBCCCQTZOGQYLZ-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2cnc(C3CC3)o2)o1 ZINC000628119996 343968893 /nfs/dbraw/zinc/96/88/93/343968893.db2.gz SRKJIHNKWHFBLP-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2cnc(C3CC3)o2)o1 ZINC000628119996 343968890 /nfs/dbraw/zinc/96/88/90/343968890.db2.gz SRKJIHNKWHFBLP-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1c[nH]c(C[N@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000628120034 343968573 /nfs/dbraw/zinc/96/85/73/343968573.db2.gz VERPGUHGAJLALD-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c[nH]c(C[N@@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000628120034 343968570 /nfs/dbraw/zinc/96/85/70/343968570.db2.gz VERPGUHGAJLALD-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1[nH]c(CN(C)[C@H](C)c2ccccc2)[nH+]c1C ZINC000628121232 343973670 /nfs/dbraw/zinc/97/36/70/343973670.db2.gz XJPCGVOJVRIIMW-CYBMUJFWSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccccc2)[nH]c1C ZINC000628121232 343973668 /nfs/dbraw/zinc/97/36/68/343973668.db2.gz XJPCGVOJVRIIMW-CYBMUJFWSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccccc2)[nH]c1C ZINC000628121232 343973667 /nfs/dbraw/zinc/97/36/67/343973667.db2.gz XJPCGVOJVRIIMW-CYBMUJFWSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1[nH]c(CN(C)[C@@H](C)c2ccccc2)[nH+]c1C ZINC000628121233 343973571 /nfs/dbraw/zinc/97/35/71/343973571.db2.gz XJPCGVOJVRIIMW-ZDUSSCGKSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccccc2)[nH]c1C ZINC000628121233 343973570 /nfs/dbraw/zinc/97/35/70/343973570.db2.gz XJPCGVOJVRIIMW-ZDUSSCGKSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccccc2)[nH]c1C ZINC000628121233 343973568 /nfs/dbraw/zinc/97/35/68/343973568.db2.gz XJPCGVOJVRIIMW-ZDUSSCGKSA-N 1 2 243.354 3.220 20 0 BGADLO CC[N@H+](Cc1cccs1)Cc1nc(C)c(C)[nH]1 ZINC000628121668 384188924 /nfs/dbraw/zinc/18/89/24/384188924.db2.gz QQPCCMJQIIBCNA-UHFFFAOYSA-N 1 2 249.383 3.110 20 0 BGADLO CC[N@@H+](Cc1cccs1)Cc1nc(C)c(C)[nH]1 ZINC000628121668 384188922 /nfs/dbraw/zinc/18/89/22/384188922.db2.gz QQPCCMJQIIBCNA-UHFFFAOYSA-N 1 2 249.383 3.110 20 0 BGADLO CCN(Cc1cccs1)Cc1[nH]c(C)c(C)[nH+]1 ZINC000628121668 384188919 /nfs/dbraw/zinc/18/89/19/384188919.db2.gz QQPCCMJQIIBCNA-UHFFFAOYSA-N 1 2 249.383 3.110 20 0 BGADLO C[N@H+](Cc1ccsc1)Cc1cnc(C2CC2)o1 ZINC000628122681 343975271 /nfs/dbraw/zinc/97/52/71/343975271.db2.gz IDEIFQVSQXKTMW-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@@H+](Cc1ccsc1)Cc1cnc(C2CC2)o1 ZINC000628122681 343975267 /nfs/dbraw/zinc/97/52/67/343975267.db2.gz IDEIFQVSQXKTMW-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO Cc1c[nH]c(C[N@H+](C)[C@H](C)c2ccc(F)cc2)n1 ZINC000628125863 344155178 /nfs/dbraw/zinc/15/51/78/344155178.db2.gz RJOZXBWVSYAHCY-LLVKDONJSA-N 1 2 247.317 3.050 20 0 BGADLO Cc1c[nH]c(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)n1 ZINC000628125863 344155177 /nfs/dbraw/zinc/15/51/77/344155177.db2.gz RJOZXBWVSYAHCY-LLVKDONJSA-N 1 2 247.317 3.050 20 0 BGADLO Cc1c[nH]c(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000628125864 344155353 /nfs/dbraw/zinc/15/53/53/344155353.db2.gz RJOZXBWVSYAHCY-NSHDSACASA-N 1 2 247.317 3.050 20 0 BGADLO Cc1c[nH]c(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)n1 ZINC000628125864 344155351 /nfs/dbraw/zinc/15/53/51/344155351.db2.gz RJOZXBWVSYAHCY-NSHDSACASA-N 1 2 247.317 3.050 20 0 BGADLO Cc1[nH]c(CN(Cc2ccco2)C(C)C)[nH+]c1C ZINC000628130092 398277145 /nfs/dbraw/zinc/27/71/45/398277145.db2.gz IYHWVJOPOGTMTA-UHFFFAOYSA-N 1 2 247.342 3.030 20 0 BGADLO Cc1ncc(C[N@H+](C)[C@@H](C)c2ccccc2F)o1 ZINC000628130478 344160548 /nfs/dbraw/zinc/16/05/48/344160548.db2.gz BBOAJIKPGWMWFP-JTQLQIEISA-N 1 2 248.301 3.315 20 0 BGADLO Cc1ncc(C[N@@H+](C)[C@@H](C)c2ccccc2F)o1 ZINC000628130478 344160544 /nfs/dbraw/zinc/16/05/44/344160544.db2.gz BBOAJIKPGWMWFP-JTQLQIEISA-N 1 2 248.301 3.315 20 0 BGADLO Cc1ncc(C[N@H+](C)[C@H](C)c2ccccc2F)o1 ZINC000628130479 344160574 /nfs/dbraw/zinc/16/05/74/344160574.db2.gz BBOAJIKPGWMWFP-SNVBAGLBSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1ncc(C[N@@H+](C)[C@H](C)c2ccccc2F)o1 ZINC000628130479 344160572 /nfs/dbraw/zinc/16/05/72/344160572.db2.gz BBOAJIKPGWMWFP-SNVBAGLBSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1ccc(C[N@@H+](Cc2cnc(C)o2)C2CC2)o1 ZINC000628131158 344161076 /nfs/dbraw/zinc/16/10/76/344161076.db2.gz SQDUNGZKGSTEPM-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1ccc(C[N@H+](Cc2cnc(C)o2)C2CC2)o1 ZINC000628131158 344161074 /nfs/dbraw/zinc/16/10/74/344161074.db2.gz SQDUNGZKGSTEPM-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1c[nH]c(CN(C)[C@H](C)c2ccccc2F)[nH+]1 ZINC000628131249 344161757 /nfs/dbraw/zinc/16/17/57/344161757.db2.gz UUJMEWRIBHYNFH-LLVKDONJSA-N 1 2 247.317 3.050 20 0 BGADLO Cc1c[nH]c(CN(C)[C@@H](C)c2ccccc2F)[nH+]1 ZINC000628131250 344161525 /nfs/dbraw/zinc/16/15/25/344161525.db2.gz UUJMEWRIBHYNFH-NSHDSACASA-N 1 2 247.317 3.050 20 0 BGADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000628132738 344169130 /nfs/dbraw/zinc/16/91/30/344169130.db2.gz NFQAVOYRHVCQRA-JTQLQIEISA-N 1 2 246.310 3.338 20 0 BGADLO C[C@@H](c1ccco1)[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628132738 344169128 /nfs/dbraw/zinc/16/91/28/344169128.db2.gz NFQAVOYRHVCQRA-JTQLQIEISA-N 1 2 246.310 3.338 20 0 BGADLO C[C@H](c1ccco1)[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000628132739 344168986 /nfs/dbraw/zinc/16/89/86/344168986.db2.gz NFQAVOYRHVCQRA-SNVBAGLBSA-N 1 2 246.310 3.338 20 0 BGADLO C[C@H](c1ccco1)[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628132739 344168985 /nfs/dbraw/zinc/16/89/85/344168985.db2.gz NFQAVOYRHVCQRA-SNVBAGLBSA-N 1 2 246.310 3.338 20 0 BGADLO Cc1c[nH]c(C[N@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000628135316 344194040 /nfs/dbraw/zinc/19/40/40/344194040.db2.gz SBIZVLQAUZATFZ-GFCCVEGCSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1c[nH]c(C[N@@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000628135316 344194037 /nfs/dbraw/zinc/19/40/37/344194037.db2.gz SBIZVLQAUZATFZ-GFCCVEGCSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1c[nH]c(C[N@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000628135317 344194001 /nfs/dbraw/zinc/19/40/01/344194001.db2.gz SBIZVLQAUZATFZ-LBPRGKRZSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1c[nH]c(C[N@@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000628135317 344193998 /nfs/dbraw/zinc/19/39/98/344193998.db2.gz SBIZVLQAUZATFZ-LBPRGKRZSA-N 1 2 247.367 3.117 20 0 BGADLO Cc1c[nH]c(C[N@@H+](Cc2cccs2)C(C)C)n1 ZINC000628136021 537972950 /nfs/dbraw/zinc/97/29/50/537972950.db2.gz OPLJYKPBRALEKU-UHFFFAOYSA-N 1 2 249.383 3.190 20 0 BGADLO Cc1c[nH]c(C[N@H+](Cc2cccs2)C(C)C)n1 ZINC000628136021 537972945 /nfs/dbraw/zinc/97/29/45/537972945.db2.gz OPLJYKPBRALEKU-UHFFFAOYSA-N 1 2 249.383 3.190 20 0 BGADLO Cc1nc(C[N@H+](C)[C@H](C)c2cccs2)[nH]c1C ZINC000628137799 344261820 /nfs/dbraw/zinc/26/18/20/344261820.db2.gz RQXGQKZFYIQIPT-LLVKDONJSA-N 1 2 249.383 3.281 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccs2)[nH]c1C ZINC000628137799 344261817 /nfs/dbraw/zinc/26/18/17/344261817.db2.gz RQXGQKZFYIQIPT-LLVKDONJSA-N 1 2 249.383 3.281 20 0 BGADLO Cc1[nH]c(CN(C)[C@H](C)c2cccs2)[nH+]c1C ZINC000628137799 344261815 /nfs/dbraw/zinc/26/18/15/344261815.db2.gz RQXGQKZFYIQIPT-LLVKDONJSA-N 1 2 249.383 3.281 20 0 BGADLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccs2)[nH]c1C ZINC000628137800 344261771 /nfs/dbraw/zinc/26/17/71/344261771.db2.gz RQXGQKZFYIQIPT-NSHDSACASA-N 1 2 249.383 3.281 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccs2)[nH]c1C ZINC000628137800 344261770 /nfs/dbraw/zinc/26/17/70/344261770.db2.gz RQXGQKZFYIQIPT-NSHDSACASA-N 1 2 249.383 3.281 20 0 BGADLO Cc1[nH]c(CN(C)[C@@H](C)c2cccs2)[nH+]c1C ZINC000628137800 344261766 /nfs/dbraw/zinc/26/17/66/344261766.db2.gz RQXGQKZFYIQIPT-NSHDSACASA-N 1 2 249.383 3.281 20 0 BGADLO Cc1occc1C[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000628153187 344843110 /nfs/dbraw/zinc/84/31/10/344843110.db2.gz DLZZFWOCRPVIOD-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1occc1C[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628153187 344843108 /nfs/dbraw/zinc/84/31/08/344843108.db2.gz DLZZFWOCRPVIOD-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1c[nH]c(CN([C@H](C)c2ccco2)C2CC2)[nH+]1 ZINC000628154117 398336249 /nfs/dbraw/zinc/33/62/49/398336249.db2.gz NMYNNTZKBRSSIN-LLVKDONJSA-N 1 2 245.326 3.037 20 0 BGADLO Cc1c[nH]c(CN([C@@H](C)c2ccco2)C2CC2)[nH+]1 ZINC000628154118 398336104 /nfs/dbraw/zinc/33/61/04/398336104.db2.gz NMYNNTZKBRSSIN-NSHDSACASA-N 1 2 245.326 3.037 20 0 BGADLO Cc1ncc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)o1 ZINC000628154507 384259363 /nfs/dbraw/zinc/25/93/63/384259363.db2.gz ZBMKITZDSHFIDT-JTQLQIEISA-N 1 2 246.310 3.302 20 0 BGADLO Cc1ncc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)o1 ZINC000628154507 384259360 /nfs/dbraw/zinc/25/93/60/384259360.db2.gz ZBMKITZDSHFIDT-JTQLQIEISA-N 1 2 246.310 3.302 20 0 BGADLO Cc1ncc(C[N@H+]([C@H](C)c2ccco2)C2CC2)o1 ZINC000628154508 384257561 /nfs/dbraw/zinc/25/75/61/384257561.db2.gz ZBMKITZDSHFIDT-SNVBAGLBSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1ncc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)o1 ZINC000628154508 384257555 /nfs/dbraw/zinc/25/75/55/384257555.db2.gz ZBMKITZDSHFIDT-SNVBAGLBSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1ccc([C@H](C)C[N@@H+](C)CC(F)F)cc1 ZINC000628155767 344846335 /nfs/dbraw/zinc/84/63/35/344846335.db2.gz MDSRHEYEZXFUAB-LLVKDONJSA-N 1 2 227.298 3.295 20 0 BGADLO Cc1ccc([C@H](C)C[N@H+](C)CC(F)F)cc1 ZINC000628155767 344846334 /nfs/dbraw/zinc/84/63/34/344846334.db2.gz MDSRHEYEZXFUAB-LLVKDONJSA-N 1 2 227.298 3.295 20 0 BGADLO Cc1ccc([C@@H](C)C[N@@H+](C)CC(F)F)cc1 ZINC000628155768 344846195 /nfs/dbraw/zinc/84/61/95/344846195.db2.gz MDSRHEYEZXFUAB-NSHDSACASA-N 1 2 227.298 3.295 20 0 BGADLO Cc1ccc([C@@H](C)C[N@H+](C)CC(F)F)cc1 ZINC000628155768 344846192 /nfs/dbraw/zinc/84/61/92/344846192.db2.gz MDSRHEYEZXFUAB-NSHDSACASA-N 1 2 227.298 3.295 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1cnc(C2CC2)o1 ZINC000628161831 344860039 /nfs/dbraw/zinc/86/00/39/344860039.db2.gz SICOZJBUKQZYIK-UHFFFAOYSA-N 1 2 246.310 3.167 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1cnc(C2CC2)o1 ZINC000628161831 344860035 /nfs/dbraw/zinc/86/00/35/344860035.db2.gz SICOZJBUKQZYIK-UHFFFAOYSA-N 1 2 246.310 3.167 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2nc(C)c(C)[nH]2)s1 ZINC000628162723 344861652 /nfs/dbraw/zinc/86/16/52/344861652.db2.gz BCKLHPHCJXXAKG-UHFFFAOYSA-N 1 2 249.383 3.028 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2nc(C)c(C)[nH]2)s1 ZINC000628162723 344861651 /nfs/dbraw/zinc/86/16/51/344861651.db2.gz BCKLHPHCJXXAKG-UHFFFAOYSA-N 1 2 249.383 3.028 20 0 BGADLO Cc1ccc(CN(C)Cc2[nH]c(C)c(C)[nH+]2)s1 ZINC000628162723 344861650 /nfs/dbraw/zinc/86/16/50/344861650.db2.gz BCKLHPHCJXXAKG-UHFFFAOYSA-N 1 2 249.383 3.028 20 0 BGADLO c1nc(C2CC2)oc1C[NH+]1Cc2ccccc2C1 ZINC000628164026 344871689 /nfs/dbraw/zinc/87/16/89/344871689.db2.gz BGFIRDVELIXQON-UHFFFAOYSA-N 1 2 240.306 3.068 20 0 BGADLO C[C@]1(C[N@@H+](CC(F)F)C2CC2)CCCS1 ZINC000628168084 344881523 /nfs/dbraw/zinc/88/15/23/344881523.db2.gz JXMIVGQHKFJKNV-LLVKDONJSA-N 1 2 235.343 3.002 20 0 BGADLO C[C@]1(C[N@H+](CC(F)F)C2CC2)CCCS1 ZINC000628168084 344881521 /nfs/dbraw/zinc/88/15/21/344881521.db2.gz JXMIVGQHKFJKNV-LLVKDONJSA-N 1 2 235.343 3.002 20 0 BGADLO C[C@@]1(C[N@@H+](CC(F)F)C2CC2)CCCS1 ZINC000628168085 344881793 /nfs/dbraw/zinc/88/17/93/344881793.db2.gz JXMIVGQHKFJKNV-NSHDSACASA-N 1 2 235.343 3.002 20 0 BGADLO C[C@@]1(C[N@H+](CC(F)F)C2CC2)CCCS1 ZINC000628168085 344881789 /nfs/dbraw/zinc/88/17/89/344881789.db2.gz JXMIVGQHKFJKNV-NSHDSACASA-N 1 2 235.343 3.002 20 0 BGADLO Cc1[nH]c(CN2Cc3ccccc3[C@H]2C)[nH+]c1C ZINC000628178529 344912612 /nfs/dbraw/zinc/91/26/12/344912612.db2.gz STKKNLVOLNANIW-GFCCVEGCSA-N 1 2 241.338 3.103 20 0 BGADLO Cc1[nH]c(CN2Cc3ccccc3[C@@H]2C)[nH+]c1C ZINC000628178530 344912430 /nfs/dbraw/zinc/91/24/30/344912430.db2.gz STKKNLVOLNANIW-LBPRGKRZSA-N 1 2 241.338 3.103 20 0 BGADLO Cc1ncc(C[N@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000628178533 344912500 /nfs/dbraw/zinc/91/25/00/344912500.db2.gz SWAZRARXQMAVIX-JTQLQIEISA-N 1 2 228.295 3.060 20 0 BGADLO Cc1ncc(C[N@@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000628178533 344912498 /nfs/dbraw/zinc/91/24/98/344912498.db2.gz SWAZRARXQMAVIX-JTQLQIEISA-N 1 2 228.295 3.060 20 0 BGADLO Cc1ncc(C[N@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000628178534 344912325 /nfs/dbraw/zinc/91/23/25/344912325.db2.gz SWAZRARXQMAVIX-SNVBAGLBSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1ncc(C[N@@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000628178534 344912323 /nfs/dbraw/zinc/91/23/23/344912323.db2.gz SWAZRARXQMAVIX-SNVBAGLBSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1ncc(C[N@H+]2CC[C@H]2c2cccc(F)c2)o1 ZINC000628186027 344935884 /nfs/dbraw/zinc/93/58/84/344935884.db2.gz UYNONZQAKDSDBL-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1ncc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)o1 ZINC000628186027 344935882 /nfs/dbraw/zinc/93/58/82/344935882.db2.gz UYNONZQAKDSDBL-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1ncc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)o1 ZINC000628186028 344936136 /nfs/dbraw/zinc/93/61/36/344936136.db2.gz UYNONZQAKDSDBL-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1ncc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)o1 ZINC000628186028 344936134 /nfs/dbraw/zinc/93/61/34/344936134.db2.gz UYNONZQAKDSDBL-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1[nH]c(CN2CC=C(C(C)(C)C)CC2)[nH+]c1C ZINC000628191632 344945551 /nfs/dbraw/zinc/94/55/51/344945551.db2.gz QWCAONRIMIZCLG-UHFFFAOYSA-N 1 2 247.386 3.205 20 0 BGADLO Cc1nc(C[N@@H+]2CC=C(C(C)(C)C)CC2)[nH]c1C ZINC000628191632 344945549 /nfs/dbraw/zinc/94/55/49/344945549.db2.gz QWCAONRIMIZCLG-UHFFFAOYSA-N 1 2 247.386 3.205 20 0 BGADLO Cc1nc(C[N@H+]2CC=C(C(C)(C)C)CC2)[nH]c1C ZINC000628191632 344945546 /nfs/dbraw/zinc/94/55/46/344945546.db2.gz QWCAONRIMIZCLG-UHFFFAOYSA-N 1 2 247.386 3.205 20 0 BGADLO Cc1ccc(NCc2cnc(C3CC3)o2)c(C)[nH+]1 ZINC000628230044 346179614 /nfs/dbraw/zinc/17/96/14/346179614.db2.gz RJCPNUROCLZMDL-UHFFFAOYSA-N 1 2 243.310 3.176 20 0 BGADLO FC1(F)CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000628232402 346185366 /nfs/dbraw/zinc/18/53/66/346185366.db2.gz WMVSVWOVOSNXJI-UHFFFAOYSA-N 1 2 236.265 3.009 20 0 BGADLO FC1(F)CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000628232402 346185365 /nfs/dbraw/zinc/18/53/65/346185365.db2.gz WMVSVWOVOSNXJI-UHFFFAOYSA-N 1 2 236.265 3.009 20 0 BGADLO Cc1[nH]c(CN(C)c2cc(C)cc(C)c2)[nH+]c1C ZINC000628235837 346189609 /nfs/dbraw/zinc/18/96/09/346189609.db2.gz DMQFRNMZEHDBJZ-UHFFFAOYSA-N 1 2 243.354 3.280 20 0 BGADLO Cc1c[nH]c(CN2CC[C@@H](C)c3ccccc32)[nH+]1 ZINC000628235853 346189674 /nfs/dbraw/zinc/18/96/74/346189674.db2.gz DWQSTTDNFCWXAQ-LLVKDONJSA-N 1 2 241.338 3.232 20 0 BGADLO Cc1c[nH]c(CN2CC[C@H](C)c3ccccc32)[nH+]1 ZINC000628235854 346189697 /nfs/dbraw/zinc/18/96/97/346189697.db2.gz DWQSTTDNFCWXAQ-NSHDSACASA-N 1 2 241.338 3.232 20 0 BGADLO Cc1[nH]c(CN2C[C@H](C)c3ccccc32)[nH+]c1C ZINC000628236120 346190311 /nfs/dbraw/zinc/19/03/11/346190311.db2.gz QIUWSBNILIFQNI-JTQLQIEISA-N 1 2 241.338 3.150 20 0 BGADLO Cc1[nH]c(CN2C[C@@H](C)c3ccccc32)[nH+]c1C ZINC000628236121 346190422 /nfs/dbraw/zinc/19/04/22/346190422.db2.gz QIUWSBNILIFQNI-SNVBAGLBSA-N 1 2 241.338 3.150 20 0 BGADLO Cc1c[nH]c(CN(C)c2cccc(C(C)C)c2)[nH+]1 ZINC000628238637 346198674 /nfs/dbraw/zinc/19/86/74/346198674.db2.gz HNBSRBOZNLHSDO-UHFFFAOYSA-N 1 2 243.354 3.478 20 0 BGADLO Cc1[nH]c(CN(C)c2cc(C)ccc2C)[nH+]c1C ZINC000628238743 346198407 /nfs/dbraw/zinc/19/84/07/346198407.db2.gz LRGGUVWULJGFTI-UHFFFAOYSA-N 1 2 243.354 3.280 20 0 BGADLO CSc1cccc(N(C)Cc2[nH]cc(C)[nH+]2)c1 ZINC000628238822 346198665 /nfs/dbraw/zinc/19/86/65/346198665.db2.gz PLSGGNJVGCOTIP-UHFFFAOYSA-N 1 2 247.367 3.076 20 0 BGADLO CSc1ccc(N(C)Cc2[nH]cc(C)[nH+]2)cc1 ZINC000628238952 346198435 /nfs/dbraw/zinc/19/84/35/346198435.db2.gz WJRPCGKYWXFAJU-UHFFFAOYSA-N 1 2 247.367 3.076 20 0 BGADLO Cc1[nH]c(CN(C)c2cccc(C)c2C)[nH+]c1C ZINC000628243551 346204423 /nfs/dbraw/zinc/20/44/23/346204423.db2.gz XRAVUKBFHQEVMV-UHFFFAOYSA-N 1 2 243.354 3.280 20 0 BGADLO CCN(Cc1[nH]c(C)c(C)[nH+]1)c1ccccc1C ZINC000628247016 346213998 /nfs/dbraw/zinc/21/39/98/346213998.db2.gz LNKKKMDCTQUDJG-UHFFFAOYSA-N 1 2 243.354 3.361 20 0 BGADLO CCN(Cc1[nH]cc(C)[nH+]1)c1ccccc1C ZINC000628247309 346214688 /nfs/dbraw/zinc/21/46/88/346214688.db2.gz VXBCWOYZJFDCQS-UHFFFAOYSA-N 1 2 229.327 3.053 20 0 BGADLO CC[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)C(F)(F)F ZINC000628248669 346216801 /nfs/dbraw/zinc/21/68/01/346216801.db2.gz WRVOHVJJRNZFGD-SVRRBLITSA-N 1 2 245.235 3.351 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C(F)(F)F ZINC000628248670 346216553 /nfs/dbraw/zinc/21/65/53/346216553.db2.gz WRVOHVJJRNZFGD-XPUUQOCRSA-N 1 2 245.235 3.351 20 0 BGADLO Cc1ncc(C[N@H+](C)Cc2cc(C)ccc2F)o1 ZINC000628253107 346227418 /nfs/dbraw/zinc/22/74/18/346227418.db2.gz UTGJDVRINNLMRH-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1ncc(C[N@@H+](C)Cc2cc(C)ccc2F)o1 ZINC000628253107 346227414 /nfs/dbraw/zinc/22/74/14/346227414.db2.gz UTGJDVRINNLMRH-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO CC1C[NH+](Cc2csc(C(F)(F)F)c2)C1 ZINC000628255142 346248419 /nfs/dbraw/zinc/24/84/19/346248419.db2.gz COPJFAJPLRPKCF-UHFFFAOYSA-N 1 2 235.274 3.219 20 0 BGADLO Cc1c[nH]c(CN2CCCCc3ccccc32)[nH+]1 ZINC000628264999 346266259 /nfs/dbraw/zinc/26/62/59/346266259.db2.gz MBDQMMRNFSWHNT-UHFFFAOYSA-N 1 2 241.338 3.061 20 0 BGADLO Cc1ccoc1C[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000628292044 347083793 /nfs/dbraw/zinc/08/37/93/347083793.db2.gz JGPRVYPQJJBETB-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1ccoc1C[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000628292044 347083790 /nfs/dbraw/zinc/08/37/90/347083790.db2.gz JGPRVYPQJJBETB-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO CCc1cccc(N(C)Cc2[nH]c(C)c(C)[nH+]2)c1 ZINC000628305846 350103138 /nfs/dbraw/zinc/10/31/38/350103138.db2.gz XTPBFQPOIYWHKI-UHFFFAOYSA-N 1 2 243.354 3.225 20 0 BGADLO Cc1[nH]c(CN2CC(C3CCCCC3)C2)[nH+]c1C ZINC000628306630 350248054 /nfs/dbraw/zinc/24/80/54/350248054.db2.gz NOSUGMGYYHXGLB-UHFFFAOYSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1c[nH+]c(C)c(NCc2cnc(C3CC3)o2)c1 ZINC000628324386 351236654 /nfs/dbraw/zinc/23/66/54/351236654.db2.gz RFRZHGBVSLZZDQ-UHFFFAOYSA-N 1 2 243.310 3.176 20 0 BGADLO CSc1ccc[nH+]c1NCc1oc(C)nc1C ZINC000628325358 351251096 /nfs/dbraw/zinc/25/10/96/351251096.db2.gz JLJQEMHNHJJQCJ-UHFFFAOYSA-N 1 2 249.339 3.020 20 0 BGADLO CCc1cc[nH+]cc1NCc1cnc(C2CC2)o1 ZINC000628325495 397922798 /nfs/dbraw/zinc/92/27/98/397922798.db2.gz PBCZWQIYLVOGPV-UHFFFAOYSA-N 1 2 243.310 3.122 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)C1CC(F)(F)C1 ZINC000628325671 397923027 /nfs/dbraw/zinc/92/30/27/397923027.db2.gz YHKLPBTZRXINBH-SECBINFHSA-N 1 2 240.297 3.490 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)C1CC(F)(F)C1 ZINC000628325672 397922117 /nfs/dbraw/zinc/92/21/17/397922117.db2.gz YHKLPBTZRXINBH-VIFPVBQESA-N 1 2 240.297 3.490 20 0 BGADLO Cc1sccc1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000628419077 357239873 /nfs/dbraw/zinc/23/98/73/357239873.db2.gz KXULCPULZRTGQI-UHFFFAOYSA-N 1 2 245.347 3.278 20 0 BGADLO Cc1sccc1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000628419077 357239870 /nfs/dbraw/zinc/23/98/70/357239870.db2.gz KXULCPULZRTGQI-UHFFFAOYSA-N 1 2 245.347 3.278 20 0 BGADLO CCc1ccc(C[N@H+]2Cc3ccc(O)cc3C2)o1 ZINC000628419192 357240021 /nfs/dbraw/zinc/24/00/21/357240021.db2.gz PXPDOHWQURHVJU-UHFFFAOYSA-N 1 2 243.306 3.063 20 0 BGADLO CCc1ccc(C[N@@H+]2Cc3ccc(O)cc3C2)o1 ZINC000628419192 357240018 /nfs/dbraw/zinc/24/00/18/357240018.db2.gz PXPDOHWQURHVJU-UHFFFAOYSA-N 1 2 243.306 3.063 20 0 BGADLO CC(C)c1cccc(C[NH+]2CC3(C2)CCCO3)c1 ZINC000628427433 357257502 /nfs/dbraw/zinc/25/75/02/357257502.db2.gz BHDPAXCNCICHRF-UHFFFAOYSA-N 1 2 245.366 3.175 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000628435609 357997899 /nfs/dbraw/zinc/99/78/99/357997899.db2.gz SHBHAOXUCXOFEW-UHFFFAOYSA-N 1 2 243.297 3.144 20 0 BGADLO COc1cccc2c1C[N@@H+](Cc1occc1C)C2 ZINC000628462126 358098387 /nfs/dbraw/zinc/09/83/87/358098387.db2.gz GSQNBXOEDQPEDD-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO COc1cccc2c1C[N@H+](Cc1occc1C)C2 ZINC000628462126 358098385 /nfs/dbraw/zinc/09/83/85/358098385.db2.gz GSQNBXOEDQPEDD-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO COc1cccc2c1C[N@@H+](Cc1ccc(C)o1)C2 ZINC000628462534 358099114 /nfs/dbraw/zinc/09/91/14/358099114.db2.gz YACZSKVOXLECMH-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO COc1cccc2c1C[N@H+](Cc1ccc(C)o1)C2 ZINC000628462534 358099111 /nfs/dbraw/zinc/09/91/11/358099111.db2.gz YACZSKVOXLECMH-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO COc1cccc2c1C[N@@H+](Cc1ccoc1C)C2 ZINC000628463059 358118194 /nfs/dbraw/zinc/11/81/94/358118194.db2.gz RADVBKHCNJNMTA-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO COc1cccc2c1C[N@H+](Cc1ccoc1C)C2 ZINC000628463059 358118193 /nfs/dbraw/zinc/11/81/93/358118193.db2.gz RADVBKHCNJNMTA-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO Cc1occc1SCc1ccc(N(C)C)[nH+]c1 ZINC000629170265 360919092 /nfs/dbraw/zinc/91/90/92/360919092.db2.gz SUDGXANHNPCSAJ-UHFFFAOYSA-N 1 2 248.351 3.341 20 0 BGADLO CCC[C@@H](C)CCCOCc1[nH]cc[nH+]1 ZINC000629170938 360919287 /nfs/dbraw/zinc/91/92/87/360919287.db2.gz YUBADLGHAXPCOI-LLVKDONJSA-N 1 2 210.321 3.143 20 0 BGADLO CCC[C@H](C)CCCOCc1[nH]cc[nH+]1 ZINC000629170942 360918995 /nfs/dbraw/zinc/91/89/95/360918995.db2.gz YUBADLGHAXPCOI-NSHDSACASA-N 1 2 210.321 3.143 20 0 BGADLO c1ccc(OC2CC2)c(COc2cc[nH+]cc2)c1 ZINC000629362328 361011723 /nfs/dbraw/zinc/01/17/23/361011723.db2.gz UTSKJNWDFOVBND-UHFFFAOYSA-N 1 2 241.290 3.202 20 0 BGADLO CCO[C@@H](COc1ccc(C)[nH+]c1CC)C1CC1 ZINC000629362662 361011708 /nfs/dbraw/zinc/01/17/08/361011708.db2.gz PVRAJRMVQKJZMX-HNNXBMFYSA-N 1 2 249.354 3.146 20 0 BGADLO CCO[C@H](COc1ccc(C)[nH+]c1CC)C1CC1 ZINC000629362665 361011869 /nfs/dbraw/zinc/01/18/69/361011869.db2.gz PVRAJRMVQKJZMX-OAHLLOKOSA-N 1 2 249.354 3.146 20 0 BGADLO CCc1cnc(CNc2ccc([NH2+]C)cc2)s1 ZINC000629387847 361039885 /nfs/dbraw/zinc/03/98/85/361039885.db2.gz GIDDIVFXRZIJAZ-UHFFFAOYSA-N 1 2 247.367 3.359 20 0 BGADLO C[NH2+]c1ccc(NCc2cnn(C(C)C)c2)cc1 ZINC000629388427 361041031 /nfs/dbraw/zinc/04/10/31/361041031.db2.gz AOTJPIZFYRHCMN-UHFFFAOYSA-N 1 2 244.342 3.118 20 0 BGADLO C[NH2+]c1ccc(NCc2scnc2C)cc1 ZINC000629388491 361041398 /nfs/dbraw/zinc/04/13/98/361041398.db2.gz CSSMBHIRSPZDEQ-UHFFFAOYSA-N 1 2 233.340 3.105 20 0 BGADLO C[NH2+]c1ccc(NCc2csc(C)n2)cc1 ZINC000629388546 361041284 /nfs/dbraw/zinc/04/12/84/361041284.db2.gz DTAUSJFLQVQPCO-UHFFFAOYSA-N 1 2 233.340 3.105 20 0 BGADLO CCc1ncc(CNc2ccc([NH2+]C)cc2)s1 ZINC000629389349 361036841 /nfs/dbraw/zinc/03/68/41/361036841.db2.gz KAOHRWOZXYQUDQ-UHFFFAOYSA-N 1 2 247.367 3.359 20 0 BGADLO CCc1nc(CNc2ccc([NH2+]C)cc2)cs1 ZINC000629389420 361036252 /nfs/dbraw/zinc/03/62/52/361036252.db2.gz MMDWQZZDEOOLER-UHFFFAOYSA-N 1 2 247.367 3.359 20 0 BGADLO CNc1ccc([NH2+]C2Cc3ccccc3C2)cc1 ZINC000629389431 361036519 /nfs/dbraw/zinc/03/65/19/361036519.db2.gz MXGNCYQVCNLYMK-UHFFFAOYSA-N 1 2 238.334 3.308 20 0 BGADLO C[NH2+]c1ccc(NC2Cc3ccccc3C2)cc1 ZINC000629389431 361036512 /nfs/dbraw/zinc/03/65/12/361036512.db2.gz MXGNCYQVCNLYMK-UHFFFAOYSA-N 1 2 238.334 3.308 20 0 BGADLO CCCc1ccccc1OCc1ccc[nH+]c1N ZINC000629395197 361043092 /nfs/dbraw/zinc/04/30/92/361043092.db2.gz BOKFEVSQBIPJKK-UHFFFAOYSA-N 1 2 242.322 3.195 20 0 BGADLO C[NH2+]c1ccc(NCC2(OC)CCCC2)cc1 ZINC000629653132 361551494 /nfs/dbraw/zinc/55/14/94/361551494.db2.gz FPBNBDNLHSELME-UHFFFAOYSA-N 1 2 234.343 3.099 20 0 BGADLO C[NH2+]c1ccc(NCc2ccc(COC)o2)cc1 ZINC000629653165 361551446 /nfs/dbraw/zinc/55/14/46/361551446.db2.gz HDJWHVWUWQZZEB-UHFFFAOYSA-N 1 2 246.310 3.080 20 0 BGADLO C[NH2+]c1ccc(NCc2ccnn2C(C)C)cc1 ZINC000629653668 361553348 /nfs/dbraw/zinc/55/33/48/361553348.db2.gz FMFCWVOCEXZFSI-UHFFFAOYSA-N 1 2 244.342 3.118 20 0 BGADLO C[NH2+]c1ccc(N[C@@H](C)C2CCC2)cc1 ZINC000629655560 361560069 /nfs/dbraw/zinc/56/00/69/361560069.db2.gz ZRQQOCDKIIRFAR-JTQLQIEISA-N 1 2 204.317 3.329 20 0 BGADLO C[NH2+]c1ccc(N[C@H](C)C2CCC2)cc1 ZINC000629655561 361560188 /nfs/dbraw/zinc/56/01/88/361560188.db2.gz ZRQQOCDKIIRFAR-SNVBAGLBSA-N 1 2 204.317 3.329 20 0 BGADLO Cc1[nH+]cc(-c2ccc3c(c2)CCC3)cc1N ZINC000629694004 361621155 /nfs/dbraw/zinc/62/11/55/361621155.db2.gz FADFMIXBGZBHHE-UHFFFAOYSA-N 1 2 224.307 3.128 20 0 BGADLO CCOc1ccc(-c2c[nH]c(C)[nH+]2)cc1OCC ZINC000629694092 361620378 /nfs/dbraw/zinc/62/03/78/361620378.db2.gz FRQXXQPAPZCEPU-UHFFFAOYSA-N 1 2 246.310 3.183 20 0 BGADLO CC(C)Nc1ccc(-c2cccc(CO)c2)c[nH+]1 ZINC000629695992 361626407 /nfs/dbraw/zinc/62/64/07/361626407.db2.gz RKGJOWLEYYUVSD-UHFFFAOYSA-N 1 2 242.322 3.061 20 0 BGADLO Cc1cnccc1-c1ccc(NC(C)C)[nH+]c1 ZINC000629697479 361628241 /nfs/dbraw/zinc/62/82/41/361628241.db2.gz JVQFOGDDRITUNY-UHFFFAOYSA-N 1 2 227.311 3.272 20 0 BGADLO CCCOc1ccc(-c2c[nH]c(C)[nH+]2)c(F)c1 ZINC000629697685 361628820 /nfs/dbraw/zinc/62/88/20/361628820.db2.gz PJCBZOIMZVAHFS-UHFFFAOYSA-N 1 2 234.274 3.313 20 0 BGADLO Cc1cnccc1-c1ccc(N(C)C(C)C)[nH+]c1 ZINC000629698107 361626288 /nfs/dbraw/zinc/62/62/88/361626288.db2.gz SLZIFKSFIDEBFW-UHFFFAOYSA-N 1 2 241.338 3.297 20 0 BGADLO Cc1[nH]cc(-c2ccc3c(c2)CC(C)(C)O3)[nH+]1 ZINC000629698785 361634051 /nfs/dbraw/zinc/63/40/51/361634051.db2.gz OIUOKPJYPZDARZ-UHFFFAOYSA-N 1 2 228.295 3.099 20 0 BGADLO Cc1[nH]cc(-c2cccc(COC(C)C)c2)[nH+]1 ZINC000629703990 361633871 /nfs/dbraw/zinc/63/38/71/361633871.db2.gz OJOCMRZROUUHNF-UHFFFAOYSA-N 1 2 230.311 3.310 20 0 BGADLO CCOCc1ccc(-c2c[nH]c(C)[nH+]2)cc1F ZINC000629708577 361644092 /nfs/dbraw/zinc/64/40/92/361644092.db2.gz LNBYSQZYYNBJTL-UHFFFAOYSA-N 1 2 234.274 3.061 20 0 BGADLO Oc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000629709764 361645395 /nfs/dbraw/zinc/64/53/95/361645395.db2.gz KMIZHPGUVAHDNJ-UHFFFAOYSA-N 1 2 240.306 3.054 20 0 BGADLO Oc1ccccc1-c1ccc(N2CCCC2)[nH+]c1 ZINC000629710647 361646220 /nfs/dbraw/zinc/64/62/20/361646220.db2.gz WAZWIFSODYKGPU-UHFFFAOYSA-N 1 2 240.306 3.054 20 0 BGADLO Cc1noc(C)c1-c1ccc(NC(C)C)[nH+]c1 ZINC000629712583 361650116 /nfs/dbraw/zinc/65/01/16/361650116.db2.gz QMBWSGINCOUIEE-UHFFFAOYSA-N 1 2 231.299 3.174 20 0 BGADLO CC(C)Nc1ccc(-c2ccoc2)c[nH+]1 ZINC000629714216 361655629 /nfs/dbraw/zinc/65/56/29/361655629.db2.gz AOXVMOZNDTVORI-UHFFFAOYSA-N 1 2 202.257 3.162 20 0 BGADLO CC(C)N(C)c1ccc(-c2ccoc2)c[nH+]1 ZINC000629714971 361656041 /nfs/dbraw/zinc/65/60/41/361656041.db2.gz RTIBVPJUTZCVGM-UHFFFAOYSA-N 1 2 216.284 3.186 20 0 BGADLO CC(C)Nc1ccc(-c2ccc(CO)cc2)c[nH+]1 ZINC000629730176 361669289 /nfs/dbraw/zinc/66/92/89/361669289.db2.gz CZHYYKPIQZFUAO-UHFFFAOYSA-N 1 2 242.322 3.061 20 0 BGADLO Cc1[nH+]cc(-c2ccc(OC(C)C)cc2)cc1N ZINC000629733511 361673147 /nfs/dbraw/zinc/67/31/47/361673147.db2.gz WEYLMRBUOAXJBC-UHFFFAOYSA-N 1 2 242.322 3.426 20 0 BGADLO Cc1[nH+]cc(-c2cccc3c2CCC3)cc1N ZINC000629734397 361674347 /nfs/dbraw/zinc/67/43/47/361674347.db2.gz OPRHWBPCHNWRKF-UHFFFAOYSA-N 1 2 224.307 3.128 20 0 BGADLO Cc1cncc(-c2ccc(N(C)C(C)C)[nH+]c2)c1 ZINC000629735068 361672266 /nfs/dbraw/zinc/67/22/66/361672266.db2.gz GUVIXGDBLHPCAD-UHFFFAOYSA-N 1 2 241.338 3.297 20 0 BGADLO Cc1cncc(-c2ccc(NC(C)C)[nH+]c2)c1 ZINC000629735372 361671688 /nfs/dbraw/zinc/67/16/88/361671688.db2.gz UAQISUDVIRMKKZ-UHFFFAOYSA-N 1 2 227.311 3.272 20 0 BGADLO Cc1[nH]cc(-c2ccc(OC(F)F)cc2C)[nH+]1 ZINC000629736680 361674863 /nfs/dbraw/zinc/67/48/63/361674863.db2.gz UTUDFYPVUIUDEI-UHFFFAOYSA-N 1 2 238.237 3.295 20 0 BGADLO Cc1cocc1-c1ccc(NC(C)C)[nH+]c1 ZINC000629738867 361675324 /nfs/dbraw/zinc/67/53/24/361675324.db2.gz RYLOMXIUGZSAOL-UHFFFAOYSA-N 1 2 216.284 3.470 20 0 BGADLO Cc1cocc1-c1ccc(N(C)C(C)C)[nH+]c1 ZINC000629739229 361676292 /nfs/dbraw/zinc/67/62/92/361676292.db2.gz YQFMPTZOCNOAEJ-UHFFFAOYSA-N 1 2 230.311 3.495 20 0 BGADLO CC(C)N(C)c1ccc(-c2ccc(O)cc2)c[nH+]1 ZINC000629739287 361675966 /nfs/dbraw/zinc/67/59/66/361675966.db2.gz PPCHBPYNQXJKJS-UHFFFAOYSA-N 1 2 242.322 3.299 20 0 BGADLO CC(C)Nc1ccc(-c2ccccc2CO)c[nH+]1 ZINC000629741509 361678328 /nfs/dbraw/zinc/67/83/28/361678328.db2.gz WXOBRPNRTVSULZ-UHFFFAOYSA-N 1 2 242.322 3.061 20 0 BGADLO CCn1nc(C)cc1-c1ccc(NC(C)C)[nH+]c1 ZINC000629745055 361679454 /nfs/dbraw/zinc/67/94/54/361679454.db2.gz TZTBEYXEACOJAQ-UHFFFAOYSA-N 1 2 244.342 3.094 20 0 BGADLO Cc1[nH]cc(-c2ccccc2CC(F)(F)F)[nH+]1 ZINC000629754328 361684983 /nfs/dbraw/zinc/68/49/83/361684983.db2.gz NVTXIYWIYHTIEV-UHFFFAOYSA-N 1 2 240.228 3.490 20 0 BGADLO Cc1[nH]cc(-c2ccc3c(c2)C(C)(C)CO3)[nH+]1 ZINC000629754838 361685180 /nfs/dbraw/zinc/68/51/80/361685180.db2.gz KMZXJKVFVVFDJN-UHFFFAOYSA-N 1 2 228.295 3.055 20 0 BGADLO CCCc1ccccc1-c1c[nH]c(C)[nH+]1 ZINC000629764145 361688380 /nfs/dbraw/zinc/68/83/80/361688380.db2.gz SLENNMLAEHEEKA-UHFFFAOYSA-N 1 2 200.285 3.338 20 0 BGADLO CCCc1ccccc1-c1c[nH+]cn1C ZINC000629765203 361688933 /nfs/dbraw/zinc/68/89/33/361688933.db2.gz ZKYUAZMTZMSCCB-UHFFFAOYSA-N 1 2 200.285 3.040 20 0 BGADLO Fc1ccc(-c2c[nH+]c3n2CCCC3)c(F)c1 ZINC000630049276 361918492 /nfs/dbraw/zinc/91/84/92/361918492.db2.gz BOBZASDVQJHZDH-UHFFFAOYSA-N 1 2 234.249 3.165 20 0 BGADLO COc1ccc(F)cc1-c1c[nH+]c(C(C)C)n1C ZINC000630049482 361918541 /nfs/dbraw/zinc/91/85/41/361918541.db2.gz FBMWXGYAXJSPMS-UHFFFAOYSA-N 1 2 248.301 3.358 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccc(F)c(F)c2)n1C ZINC000630049513 361918357 /nfs/dbraw/zinc/91/83/57/361918357.db2.gz FSCBAZVVPZUKCN-UHFFFAOYSA-N 1 2 236.265 3.489 20 0 BGADLO Fc1ccc(-c2c[nH+]c3n2CCCC3)cc1F ZINC000630049569 361912029 /nfs/dbraw/zinc/91/20/29/361912029.db2.gz GJQFMITWNQLOKF-UHFFFAOYSA-N 1 2 234.249 3.165 20 0 BGADLO CC(C)c1[nH+]cc(-c2cccs2)n1C ZINC000630049606 361911884 /nfs/dbraw/zinc/91/18/84/361911884.db2.gz GVMRBUXFRPUOIA-UHFFFAOYSA-N 1 2 206.314 3.272 20 0 BGADLO COc1ccccc1-c1c[nH+]c(C(C)C)n1C ZINC000630049715 361912346 /nfs/dbraw/zinc/91/23/46/361912346.db2.gz JTYVCZJEDLUGJU-UHFFFAOYSA-N 1 2 230.311 3.219 20 0 BGADLO COc1cccc(-c2c[nH+]c(C(C)C)n2C)c1 ZINC000630050097 361913468 /nfs/dbraw/zinc/91/34/68/361913468.db2.gz NBAUWMMPRSKVQJ-UHFFFAOYSA-N 1 2 230.311 3.219 20 0 BGADLO Fc1cc(F)cc(-c2c[nH+]c3n2CCCC3)c1 ZINC000630050248 361913882 /nfs/dbraw/zinc/91/38/82/361913882.db2.gz NSKPPCRYBNAYNP-UHFFFAOYSA-N 1 2 234.249 3.165 20 0 BGADLO Cc1cc(-c2ccc(N3CCCC3)[nH+]c2)co1 ZINC000630050277 361913335 /nfs/dbraw/zinc/91/33/35/361913335.db2.gz DLHRHCXHNDJBMK-UHFFFAOYSA-N 1 2 228.295 3.250 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccc3c(c2)CCO3)n1C ZINC000630050465 361913190 /nfs/dbraw/zinc/91/31/90/361913190.db2.gz BLVWGOXYKURBOW-UHFFFAOYSA-N 1 2 242.322 3.145 20 0 BGADLO CC(C)c1[nH+]cc(-c2cc(F)cc(F)c2)n1C ZINC000630050806 361913236 /nfs/dbraw/zinc/91/32/36/361913236.db2.gz VOQMNGGCVHIZRU-UHFFFAOYSA-N 1 2 236.265 3.489 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccsc2)n1C ZINC000630050825 361913393 /nfs/dbraw/zinc/91/33/93/361913393.db2.gz VVRWTGOGYZLAMR-UHFFFAOYSA-N 1 2 206.314 3.272 20 0 BGADLO COc1ccc(F)cc1-c1c[nH+]c2n1CCCC2 ZINC000630050887 361914816 /nfs/dbraw/zinc/91/48/16/361914816.db2.gz WOYPZXXXMHOBHH-UHFFFAOYSA-N 1 2 246.285 3.034 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccc(F)cc2)n1C ZINC000630050938 361914468 /nfs/dbraw/zinc/91/44/68/361914468.db2.gz XWSRJVFPOXSJPW-UHFFFAOYSA-N 1 2 218.275 3.350 20 0 BGADLO Cc1ccsc1-c1c[nH+]c2n1CCCC2 ZINC000630050994 361914713 /nfs/dbraw/zinc/91/47/13/361914713.db2.gz HEZTTWJVTJQXQG-UHFFFAOYSA-N 1 2 218.325 3.256 20 0 BGADLO Cc1cc(-c2c[nH+]c3n2CCCC3)c(F)cc1F ZINC000630051015 361914652 /nfs/dbraw/zinc/91/46/52/361914652.db2.gz IBJMSNCCJPIBEK-UHFFFAOYSA-N 1 2 248.276 3.473 20 0 BGADLO c1[nH+]c2n(c1-c1cnc3ccccc3c1)CCCC2 ZINC000630051043 361914701 /nfs/dbraw/zinc/91/47/01/361914701.db2.gz YUYFBSURQCBGOM-UHFFFAOYSA-N 1 2 249.317 3.435 20 0 BGADLO COc1ccc(-c2c[nH+]c(C(C)C)n2C)cc1 ZINC000630051049 361914529 /nfs/dbraw/zinc/91/45/29/361914529.db2.gz IZVKGIMNZWCWTQ-UHFFFAOYSA-N 1 2 230.311 3.219 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccc(F)cc2F)n1C ZINC000630051067 361914685 /nfs/dbraw/zinc/91/46/85/361914685.db2.gz ZQJLXQCUSJJDPG-UHFFFAOYSA-N 1 2 236.265 3.489 20 0 BGADLO Fc1cccc(-c2c[nH+]c3n2CCCC3)c1 ZINC000630051276 361914512 /nfs/dbraw/zinc/91/45/12/361914512.db2.gz KVFFLNWHMVQOFY-UHFFFAOYSA-N 1 2 216.259 3.026 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccccc2N(C)C)n1C ZINC000630051289 361914453 /nfs/dbraw/zinc/91/44/53/361914453.db2.gz PDONKPBJGWOKOK-UHFFFAOYSA-N 1 2 243.354 3.277 20 0 BGADLO CC(C)c1[nH+]cc(-c2cccc(F)c2)n1C ZINC000630051493 361915600 /nfs/dbraw/zinc/91/56/00/361915600.db2.gz OCMPZWVACJCKFH-UHFFFAOYSA-N 1 2 218.275 3.350 20 0 BGADLO Cc1coc(-c2c[nH+]c(C(C)C)n2C)c1 ZINC000630051576 361918197 /nfs/dbraw/zinc/91/81/97/361918197.db2.gz AEFZHICSBMHHSW-UHFFFAOYSA-N 1 2 204.273 3.112 20 0 BGADLO CNc1cccc(-c2c[nH+]c(C(C)C)n2C)c1 ZINC000630051589 361918899 /nfs/dbraw/zinc/91/88/99/361918899.db2.gz AYZMBUNVMQUTMP-UHFFFAOYSA-N 1 2 229.327 3.252 20 0 BGADLO c1[nH+]c2n(c1-c1cccc3cccnc31)CCCC2 ZINC000630051907 361919803 /nfs/dbraw/zinc/91/98/03/361919803.db2.gz PYAQVWODEVKOOA-UHFFFAOYSA-N 1 2 249.317 3.435 20 0 BGADLO Fc1ccccc1-c1c[nH+]c2n1CCCC2 ZINC000630052481 361920824 /nfs/dbraw/zinc/92/08/24/361920824.db2.gz VJYQERKPZNNQJR-UHFFFAOYSA-N 1 2 216.259 3.026 20 0 BGADLO Cc1ccc(-c2c[nH+]c(C(C)C)n2C)o1 ZINC000630052523 361920680 /nfs/dbraw/zinc/92/06/80/361920680.db2.gz WJDTYSWKEBPCMW-UHFFFAOYSA-N 1 2 204.273 3.112 20 0 BGADLO Cc1cocc1-c1c[nH+]c(C(C)C)n1C ZINC000630052719 361921220 /nfs/dbraw/zinc/92/12/20/361921220.db2.gz JKNHOWIVUJGLNW-UHFFFAOYSA-N 1 2 204.273 3.112 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccccc2F)n1C ZINC000630052829 361922272 /nfs/dbraw/zinc/92/22/72/361922272.db2.gz ZCOBNFJEVYWUFL-UHFFFAOYSA-N 1 2 218.275 3.350 20 0 BGADLO CC(C)c1[nH+]cc(-c2cnc3[nH]ccc3c2)n1C ZINC000630052889 361922497 /nfs/dbraw/zinc/92/24/97/361922497.db2.gz ZPNKLDXQUIJASL-UHFFFAOYSA-N 1 2 240.310 3.038 20 0 BGADLO CCCOc1ccc(-c2c[nH+]c(C)n2C)c(F)c1 ZINC000630052915 361922323 /nfs/dbraw/zinc/92/23/23/361922323.db2.gz YASLQZALWZLPRJ-UHFFFAOYSA-N 1 2 248.301 3.323 20 0 BGADLO Cc1cc(-c2c[nH+]c3n2CCCC3)cs1 ZINC000630052959 361922335 /nfs/dbraw/zinc/92/23/35/361922335.db2.gz YUSREIKDMOICBQ-UHFFFAOYSA-N 1 2 218.325 3.256 20 0 BGADLO Cc1cc(F)c(-c2c[nH+]c3n2CCCC3)c(F)c1 ZINC000630053186 361922555 /nfs/dbraw/zinc/92/25/55/361922555.db2.gz MRPSJBGQSFVSPM-UHFFFAOYSA-N 1 2 248.276 3.473 20 0 BGADLO FC(F)c1cncc(-c2c[nH+]c3n2CCCC3)c1 ZINC000630053696 361923686 /nfs/dbraw/zinc/92/36/86/361923686.db2.gz SUKYLEYKDWNRML-UHFFFAOYSA-N 1 2 249.264 3.219 20 0 BGADLO c1[nH+]c2n(c1-c1cccc3c1CCC3)CCCC2 ZINC000630053842 361924514 /nfs/dbraw/zinc/92/45/14/361924514.db2.gz VOIGONKZTJNMMS-UHFFFAOYSA-N 1 2 238.334 3.375 20 0 BGADLO Cc1ccc(CO)c(-c2c[nH+]c(C(C)C)n2C)c1 ZINC000630053874 361924890 /nfs/dbraw/zinc/92/48/90/361924890.db2.gz WOSRLUFYASVZJN-UHFFFAOYSA-N 1 2 244.338 3.011 20 0 BGADLO Cc1ccc(-c2c[nH+]c(C(C)C)n2C)c(CO)c1 ZINC000630053889 361924549 /nfs/dbraw/zinc/92/45/49/361924549.db2.gz XASYIXNJSDAWBI-UHFFFAOYSA-N 1 2 244.338 3.011 20 0 BGADLO Cc1[nH+]cc(-c2cccc(C(F)F)c2F)n1C ZINC000630054132 361918892 /nfs/dbraw/zinc/91/88/92/361918892.db2.gz HEEKWDYXPKAROS-UHFFFAOYSA-N 1 2 240.228 3.472 20 0 BGADLO Cc1ccc(-c2c[nH+]c3n2CCCC3)s1 ZINC000630054260 361918121 /nfs/dbraw/zinc/91/81/21/361918121.db2.gz LQLXBJISBQOXON-UHFFFAOYSA-N 1 2 218.325 3.256 20 0 BGADLO COCc1cc(-c2c[nH+]c3n2CCCC3)cs1 ZINC000630054267 361918372 /nfs/dbraw/zinc/91/83/72/361918372.db2.gz LTQCFGWVWSJCOU-UHFFFAOYSA-N 1 2 248.351 3.094 20 0 BGADLO COc1cc(C)ccc1-c1c[nH+]c2n1CCCC2 ZINC000630054386 361918226 /nfs/dbraw/zinc/91/82/26/361918226.db2.gz QKUTZHMDEPQCKQ-UHFFFAOYSA-N 1 2 242.322 3.203 20 0 BGADLO Cc1ccc(-c2c[nH+]c3n2CCCC3)c(F)c1F ZINC000630054563 361919914 /nfs/dbraw/zinc/91/99/14/361919914.db2.gz YICILXMUQUSKAZ-UHFFFAOYSA-N 1 2 248.276 3.473 20 0 BGADLO C[C@H](C1CC1)[N@@H+](CC1(C)COC1)c1ccccc1 ZINC000630065693 363123270 /nfs/dbraw/zinc/12/32/70/363123270.db2.gz APDBDDUTZVYMRG-CYBMUJFWSA-N 1 2 245.366 3.328 20 0 BGADLO C[C@H](C1CC1)[N@H+](CC1(C)COC1)c1ccccc1 ZINC000630065693 363123268 /nfs/dbraw/zinc/12/32/68/363123268.db2.gz APDBDDUTZVYMRG-CYBMUJFWSA-N 1 2 245.366 3.328 20 0 BGADLO C[C@@H](C1CC1)[N@@H+](CC1(C)COC1)c1ccccc1 ZINC000630065697 363122655 /nfs/dbraw/zinc/12/26/55/363122655.db2.gz APDBDDUTZVYMRG-ZDUSSCGKSA-N 1 2 245.366 3.328 20 0 BGADLO C[C@@H](C1CC1)[N@H+](CC1(C)COC1)c1ccccc1 ZINC000630065697 363122649 /nfs/dbraw/zinc/12/26/49/363122649.db2.gz APDBDDUTZVYMRG-ZDUSSCGKSA-N 1 2 245.366 3.328 20 0 BGADLO C[C@H]1C[C@H](CNc2cc(CO)cc[nH+]2)C[C@@H](C)C1 ZINC000630095295 363548358 /nfs/dbraw/zinc/54/83/58/363548358.db2.gz XVQYHTAYFOIYAK-IMRBUKKESA-N 1 2 248.370 3.058 20 0 BGADLO C[C@@H]1CC(CNc2cc(CO)cc[nH+]2)C[C@@H](C)C1 ZINC000630095296 363548629 /nfs/dbraw/zinc/54/86/29/363548629.db2.gz XVQYHTAYFOIYAK-RYUDHWBXSA-N 1 2 248.370 3.058 20 0 BGADLO C[C@H]1CC(CNc2cc(CO)cc[nH+]2)C[C@H](C)C1 ZINC000630095297 363548461 /nfs/dbraw/zinc/54/84/61/363548461.db2.gz XVQYHTAYFOIYAK-VXGBXAGGSA-N 1 2 248.370 3.058 20 0 BGADLO Clc1ccc2c(c1)CN(c1cccc[nH+]1)C2 ZINC000630343330 364065934 /nfs/dbraw/zinc/06/59/34/364065934.db2.gz JZNGZAWIBNFFKK-UHFFFAOYSA-N 1 2 230.698 3.255 20 0 BGADLO CC(C)c1cc(NC2CCCC2)nc(C(C)C)[nH+]1 ZINC000630343655 364064916 /nfs/dbraw/zinc/06/49/16/364064916.db2.gz ULXSEOXWDXAWMN-UHFFFAOYSA-N 1 2 247.386 3.500 20 0 BGADLO CCc1c2ccccc2[nH+]c2c1C[C@H](OC)CC2 ZINC000630950282 368145187 /nfs/dbraw/zinc/14/51/87/368145187.db2.gz BNMFRTMXDPSXQO-LLVKDONJSA-N 1 2 241.334 3.301 20 0 BGADLO CCc1c2ccccc2[nH+]c2c1C[C@@H](OC)CC2 ZINC000630950287 368146150 /nfs/dbraw/zinc/14/61/50/368146150.db2.gz BNMFRTMXDPSXQO-NSHDSACASA-N 1 2 241.334 3.301 20 0 BGADLO Cc1sccc1CNc1c[nH+]cc(N(C)C)c1 ZINC000630956404 368149721 /nfs/dbraw/zinc/14/97/21/368149721.db2.gz QUADRKVWQWFMOD-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO Cc1cc(CNc2c[nH+]cc(N(C)C)c2)cs1 ZINC000630956787 368148260 /nfs/dbraw/zinc/14/82/60/368148260.db2.gz UVUDZHBCUGXTHQ-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO Cc1ccc(CNc2c[nH+]cc(N(C)C)c2)s1 ZINC000630957010 368153185 /nfs/dbraw/zinc/15/31/85/368153185.db2.gz KQUPDPDEYVNKHN-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO Cc1ccsc1CNc1c[nH+]cc(N(C)C)c1 ZINC000630957036 368154081 /nfs/dbraw/zinc/15/40/81/368154081.db2.gz LBZBRJFWMDTWFV-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO CCCCC(=O)CSc1[nH+]cc2ccccn21 ZINC000631006307 370166536 /nfs/dbraw/zinc/16/65/36/370166536.db2.gz XQCQOPISRYQHSH-UHFFFAOYSA-N 1 2 248.351 3.186 20 0 BGADLO Cc1cc2[nH+]cn(C[C@H]3CCO[C@@H]3C)c2cc1C ZINC000631016815 370903062 /nfs/dbraw/zinc/90/30/62/370903062.db2.gz XKGHFPSGZVBFKQ-CHWSQXEVSA-N 1 2 244.338 3.078 20 0 BGADLO Cc1cc2[nH+]cn(C[C@@H]3CCO[C@@H]3C)c2cc1C ZINC000631016816 370902722 /nfs/dbraw/zinc/90/27/22/370902722.db2.gz XKGHFPSGZVBFKQ-OLZOCXBDSA-N 1 2 244.338 3.078 20 0 BGADLO Cc1cc2[nH+]cn(C[C@H]3CCO[C@H]3C)c2cc1C ZINC000631016817 370902739 /nfs/dbraw/zinc/90/27/39/370902739.db2.gz XKGHFPSGZVBFKQ-QWHCGFSZSA-N 1 2 244.338 3.078 20 0 BGADLO Cc1cc2[nH+]cn(C[C@@H]3CCO[C@H]3C)c2cc1C ZINC000631016818 370902788 /nfs/dbraw/zinc/90/27/88/370902788.db2.gz XKGHFPSGZVBFKQ-STQMWFEESA-N 1 2 244.338 3.078 20 0 BGADLO CC(C)c1nc2[nH]ccc2c(N2CCCCC2)[nH+]1 ZINC000631029832 370956496 /nfs/dbraw/zinc/95/64/96/370956496.db2.gz IPLLQBHCOHTFOM-UHFFFAOYSA-N 1 2 244.342 3.072 20 0 BGADLO CC(C)OCCCNc1cc2ccccc2c[nH+]1 ZINC000631035597 370986658 /nfs/dbraw/zinc/98/66/58/370986658.db2.gz RXEIGNYYXAMHIT-UHFFFAOYSA-N 1 2 244.338 3.462 20 0 BGADLO c1ccc2cc(NC[C@H]3CCCOC3)[nH+]cc2c1 ZINC000631067825 371281934 /nfs/dbraw/zinc/28/19/34/371281934.db2.gz IBZBBLJEKHWOLR-GFCCVEGCSA-N 1 2 242.322 3.073 20 0 BGADLO c1ccc2cc(NC[C@@H]3CCCOC3)[nH+]cc2c1 ZINC000631067827 371282287 /nfs/dbraw/zinc/28/22/87/371282287.db2.gz IBZBBLJEKHWOLR-LBPRGKRZSA-N 1 2 242.322 3.073 20 0 BGADLO c1ccc2cc(NC[C@@H]3CCCCO3)[nH+]cc2c1 ZINC000631072944 371339689 /nfs/dbraw/zinc/33/96/89/371339689.db2.gz HULACOPEAZRKIH-AWEZNQCLSA-N 1 2 242.322 3.216 20 0 BGADLO c1ccc2cc(NC[C@H]3CCCCO3)[nH+]cc2c1 ZINC000631072946 371340497 /nfs/dbraw/zinc/34/04/97/371340497.db2.gz HULACOPEAZRKIH-CQSZACIVSA-N 1 2 242.322 3.216 20 0 BGADLO COCCCCCNc1cc2ccccc2c[nH+]1 ZINC000631082990 371817176 /nfs/dbraw/zinc/81/71/76/371817176.db2.gz LWKMGXHKFCRQSL-UHFFFAOYSA-N 1 2 244.338 3.463 20 0 BGADLO COCC[C@@H](C)Nc1cc2ccccc2c[nH+]1 ZINC000631093175 350017977 /nfs/dbraw/zinc/01/79/77/350017977.db2.gz QLHSQZFVBACOAF-LLVKDONJSA-N 1 2 230.311 3.072 20 0 BGADLO COCC[C@H](C)Nc1cc2ccccc2c[nH+]1 ZINC000631093176 350017478 /nfs/dbraw/zinc/01/74/78/350017478.db2.gz QLHSQZFVBACOAF-NSHDSACASA-N 1 2 230.311 3.072 20 0 BGADLO C[C@@H]1CCN(c2cc3ccccc3c[nH+]2)C1 ZINC000631093434 342923926 /nfs/dbraw/zinc/92/39/26/342923926.db2.gz WNEALZOUCHOXAP-LLVKDONJSA-N 1 2 212.296 3.081 20 0 BGADLO C[C@H]1CCN(c2cc3ccccc3c[nH+]2)C1 ZINC000631093435 342924008 /nfs/dbraw/zinc/92/40/08/342924008.db2.gz WNEALZOUCHOXAP-NSHDSACASA-N 1 2 212.296 3.081 20 0 BGADLO CC(C)C[C@H](CO)Nc1cc2ccccc2c[nH+]1 ZINC000631113080 344856766 /nfs/dbraw/zinc/85/67/66/344856766.db2.gz ZHOVXLREAZYZEK-CQSZACIVSA-N 1 2 244.338 3.054 20 0 BGADLO CC(C)(C)[C@H](O)CNc1cc2ccccc2c[nH+]1 ZINC000631116905 346887457 /nfs/dbraw/zinc/88/74/57/346887457.db2.gz HSQBFOYCNUPKME-CYBMUJFWSA-N 1 2 244.338 3.054 20 0 BGADLO CC(C)(C)[C@@H](O)CNc1cc2ccccc2c[nH+]1 ZINC000631116909 346887193 /nfs/dbraw/zinc/88/71/93/346887193.db2.gz HSQBFOYCNUPKME-ZDUSSCGKSA-N 1 2 244.338 3.054 20 0 BGADLO CC(C)[C@@](C)(O)CNc1cc2ccccc2c[nH+]1 ZINC000631117183 346968874 /nfs/dbraw/zinc/96/88/74/346968874.db2.gz XQDLUCSNOHQRQK-HNNXBMFYSA-N 1 2 244.338 3.054 20 0 BGADLO CC(C)[C@](C)(O)CNc1cc2ccccc2c[nH+]1 ZINC000631117186 346968616 /nfs/dbraw/zinc/96/86/16/346968616.db2.gz XQDLUCSNOHQRQK-OAHLLOKOSA-N 1 2 244.338 3.054 20 0 BGADLO Cc1ccc(C[NH2+]C(C)(C)C(F)F)c(F)c1 ZINC000631124047 487799732 /nfs/dbraw/zinc/79/97/32/487799732.db2.gz FAISVVHVMZTKCW-UHFFFAOYSA-N 1 2 231.261 3.267 20 0 BGADLO CC[C@H](COC)Nc1cc2ccccc2c[nH+]1 ZINC000631125010 351247974 /nfs/dbraw/zinc/24/79/74/351247974.db2.gz WLSVGNMCZVINHU-CYBMUJFWSA-N 1 2 230.311 3.072 20 0 BGADLO CC[C@@H](COC)Nc1cc2ccccc2c[nH+]1 ZINC000631125011 351247683 /nfs/dbraw/zinc/24/76/83/351247683.db2.gz WLSVGNMCZVINHU-ZDUSSCGKSA-N 1 2 230.311 3.072 20 0 BGADLO Cc1scc(C[NH2+]C(C)(C)C(F)F)c1C ZINC000631125202 386333091 /nfs/dbraw/zinc/33/30/91/386333091.db2.gz ZAGQGLVBVWXHJF-UHFFFAOYSA-N 1 2 233.327 3.498 20 0 BGADLO Cc1scc(C[NH2+]C2(C(F)F)CC2)c1C ZINC000631129195 362920903 /nfs/dbraw/zinc/92/09/03/362920903.db2.gz XVBMZODJBNYOIZ-UHFFFAOYSA-N 1 2 231.311 3.252 20 0 BGADLO C[C@@H](Nc1cc2ccccc2c[nH+]1)[C@@H]1CCOC1 ZINC000631131118 364583155 /nfs/dbraw/zinc/58/31/55/364583155.db2.gz RZSMABSRIYVNJV-BXUZGUMPSA-N 1 2 242.322 3.072 20 0 BGADLO C[C@H](Nc1cc2ccccc2c[nH+]1)[C@H]1CCOC1 ZINC000631131119 364582969 /nfs/dbraw/zinc/58/29/69/364582969.db2.gz RZSMABSRIYVNJV-FZMZJTMJSA-N 1 2 242.322 3.072 20 0 BGADLO C[C@@H](Nc1cc2ccccc2c[nH+]1)[C@H]1CCOC1 ZINC000631131120 364583330 /nfs/dbraw/zinc/58/33/30/364583330.db2.gz RZSMABSRIYVNJV-RISCZKNCSA-N 1 2 242.322 3.072 20 0 BGADLO C[C@H](Nc1cc2ccccc2c[nH+]1)[C@@H]1CCOC1 ZINC000631131125 364582933 /nfs/dbraw/zinc/58/29/33/364582933.db2.gz RZSMABSRIYVNJV-SMDDNHRTSA-N 1 2 242.322 3.072 20 0 BGADLO COC(C)(C)CNc1cc2ccccc2c[nH+]1 ZINC000631132932 342789299 /nfs/dbraw/zinc/78/92/99/342789299.db2.gz NSIUOCKYOPPNGZ-UHFFFAOYSA-N 1 2 230.311 3.072 20 0 BGADLO CC(C)[C@H](CCO)Nc1cc2ccccc2c[nH+]1 ZINC000631133564 372204932 /nfs/dbraw/zinc/20/49/32/372204932.db2.gz VPACBHKQZMRNIW-AWEZNQCLSA-N 1 2 244.338 3.054 20 0 BGADLO CC(C)[C@@H](CCO)Nc1cc2ccccc2c[nH+]1 ZINC000631133567 372204390 /nfs/dbraw/zinc/20/43/90/372204390.db2.gz VPACBHKQZMRNIW-CQSZACIVSA-N 1 2 244.338 3.054 20 0 BGADLO C[C@@H]1CCCN1c1cc2ccccc2c[nH+]1 ZINC000631137438 343256067 /nfs/dbraw/zinc/25/60/67/343256067.db2.gz BLTDGCFZWHHHPY-LLVKDONJSA-N 1 2 212.296 3.224 20 0 BGADLO C[C@H]1CCCN1c1cc2ccccc2c[nH+]1 ZINC000631137439 343256055 /nfs/dbraw/zinc/25/60/55/343256055.db2.gz BLTDGCFZWHHHPY-NSHDSACASA-N 1 2 212.296 3.224 20 0 BGADLO CC(C)c1nc2[nH]ccc2c(N2CCC[C@@H]2C)[nH+]1 ZINC000631138010 372206933 /nfs/dbraw/zinc/20/69/33/372206933.db2.gz RMODCLVNLQTFLW-JTQLQIEISA-N 1 2 244.342 3.070 20 0 BGADLO CC(C)c1nc2[nH]ccc2c(N2CCC[C@H]2C)[nH+]1 ZINC000631138011 372206807 /nfs/dbraw/zinc/20/68/07/372206807.db2.gz RMODCLVNLQTFLW-SNVBAGLBSA-N 1 2 244.342 3.070 20 0 BGADLO Cc1scc(C[NH2+]CC(C)(F)F)c1C ZINC000631144090 344428781 /nfs/dbraw/zinc/42/87/81/344428781.db2.gz YGOITWDVJYFGJE-UHFFFAOYSA-N 1 2 219.300 3.110 20 0 BGADLO CC[C@H]([NH2+]Cc1csc(C)c1C)C(F)F ZINC000631148907 344937055 /nfs/dbraw/zinc/93/70/55/344937055.db2.gz XCOJRIUZNGWYIY-JTQLQIEISA-N 1 2 233.327 3.498 20 0 BGADLO CC[C@@H]([NH2+]Cc1csc(C)c1C)C(F)F ZINC000631148909 344937373 /nfs/dbraw/zinc/93/73/73/344937373.db2.gz XCOJRIUZNGWYIY-SNVBAGLBSA-N 1 2 233.327 3.498 20 0 BGADLO C[C@@H]1C[C@H](Nc2cc3ccccc3c[nH+]2)CCO1 ZINC000631189067 360335459 /nfs/dbraw/zinc/33/54/59/360335459.db2.gz JLBXHZKKWPGHFS-BXUZGUMPSA-N 1 2 242.322 3.214 20 0 BGADLO C[C@H]1C[C@@H](Nc2cc3ccccc3c[nH+]2)CCO1 ZINC000631189069 360336070 /nfs/dbraw/zinc/33/60/70/360336070.db2.gz JLBXHZKKWPGHFS-FZMZJTMJSA-N 1 2 242.322 3.214 20 0 BGADLO C[C@@H]1C[C@@H](Nc2cc3ccccc3c[nH+]2)CCO1 ZINC000631189071 360336089 /nfs/dbraw/zinc/33/60/89/360336089.db2.gz JLBXHZKKWPGHFS-RISCZKNCSA-N 1 2 242.322 3.214 20 0 BGADLO C[C@H]1C[C@H](Nc2cc3ccccc3c[nH+]2)CCO1 ZINC000631189073 360335958 /nfs/dbraw/zinc/33/59/58/360335958.db2.gz JLBXHZKKWPGHFS-SMDDNHRTSA-N 1 2 242.322 3.214 20 0 BGADLO CC(C)(F)C[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000631191454 360556571 /nfs/dbraw/zinc/55/65/71/360556571.db2.gz QCFWXUNHFAODGN-UHFFFAOYSA-N 1 2 244.379 3.278 20 0 BGADLO c1ccc2cc(N[C@H]3CCCOCC3)[nH+]cc2c1 ZINC000631194489 372226930 /nfs/dbraw/zinc/22/69/30/372226930.db2.gz LROANRSXPCVRPK-AWEZNQCLSA-N 1 2 242.322 3.216 20 0 BGADLO c1ccc2cc(N[C@@H]3CCCOCC3)[nH+]cc2c1 ZINC000631194492 372225860 /nfs/dbraw/zinc/22/58/60/372225860.db2.gz LROANRSXPCVRPK-CQSZACIVSA-N 1 2 242.322 3.216 20 0 BGADLO COC1(CNc2cc3ccccc3c[nH+]2)CCC1 ZINC000631199447 372230469 /nfs/dbraw/zinc/23/04/69/372230469.db2.gz AOVHKBWOXWCAIG-UHFFFAOYSA-N 1 2 242.322 3.216 20 0 BGADLO CCCCc1cc(NC2CC(F)(F)C2)nc[nH+]1 ZINC000631246855 372258983 /nfs/dbraw/zinc/25/89/83/372258983.db2.gz NQUSQZDUKUQORG-UHFFFAOYSA-N 1 2 241.285 3.029 20 0 BGADLO C[C@@H]1COCC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631247764 372258929 /nfs/dbraw/zinc/25/89/29/372258929.db2.gz KSYRYDMPZAQYBF-BXUZGUMPSA-N 1 2 242.322 3.072 20 0 BGADLO C[C@H]1COCC[C@@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631247765 372259065 /nfs/dbraw/zinc/25/90/65/372259065.db2.gz KSYRYDMPZAQYBF-FZMZJTMJSA-N 1 2 242.322 3.072 20 0 BGADLO C[C@@H]1COCC[C@@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631247766 372258765 /nfs/dbraw/zinc/25/87/65/372258765.db2.gz KSYRYDMPZAQYBF-RISCZKNCSA-N 1 2 242.322 3.072 20 0 BGADLO C[C@H]1COCC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631247767 372258745 /nfs/dbraw/zinc/25/87/45/372258745.db2.gz KSYRYDMPZAQYBF-SMDDNHRTSA-N 1 2 242.322 3.072 20 0 BGADLO c1ccc2cc(N3CCC[C@H]4C[C@H]43)[nH+]cc2c1 ZINC000631272884 372272456 /nfs/dbraw/zinc/27/24/56/372272456.db2.gz CMSDZKHAVHLQBR-GXTWGEPZSA-N 1 2 224.307 3.224 20 0 BGADLO c1ccc2cc(N3CCC[C@@H]4C[C@@H]43)[nH+]cc2c1 ZINC000631272886 372272758 /nfs/dbraw/zinc/27/27/58/372272758.db2.gz CMSDZKHAVHLQBR-OCCSQVGLSA-N 1 2 224.307 3.224 20 0 BGADLO Cc1ccc2sc(N3CCCC[NH2+]3)nc2c1C ZINC000631276490 372272120 /nfs/dbraw/zinc/27/21/20/372272120.db2.gz POGXQRLACSZSFV-UHFFFAOYSA-N 1 2 247.367 3.018 20 0 BGADLO FCCCCNc1cc2ccccc2c[nH+]1 ZINC000631279601 372275565 /nfs/dbraw/zinc/27/55/65/372275565.db2.gz ODPOCDXAXKINNC-UHFFFAOYSA-N 1 2 218.275 3.396 20 0 BGADLO CC(F)(F)CNc1cc2ccccc2c[nH+]1 ZINC000631281063 372275670 /nfs/dbraw/zinc/27/56/70/372275670.db2.gz CDGFZOWAWGKLEO-UHFFFAOYSA-N 1 2 222.238 3.302 20 0 BGADLO COCC(C)(C)CNc1cc2ccccc2c[nH+]1 ZINC000631281867 372276673 /nfs/dbraw/zinc/27/66/73/372276673.db2.gz LHXWWDZINXUWRI-UHFFFAOYSA-N 1 2 244.338 3.319 20 0 BGADLO C[C@@H](CCO)CCNc1cc2ccccc2c[nH+]1 ZINC000631285986 372278203 /nfs/dbraw/zinc/27/82/03/372278203.db2.gz MSFZYATYHJGZMW-GFCCVEGCSA-N 1 2 244.338 3.055 20 0 BGADLO C[C@H](CCO)CCNc1cc2ccccc2c[nH+]1 ZINC000631285987 372278613 /nfs/dbraw/zinc/27/86/13/372278613.db2.gz MSFZYATYHJGZMW-LBPRGKRZSA-N 1 2 244.338 3.055 20 0 BGADLO CC[C@H]1CCN1c1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631288689 342872231 /nfs/dbraw/zinc/87/22/31/342872231.db2.gz RNNQMHCNRAEIKH-JTQLQIEISA-N 1 2 244.342 3.070 20 0 BGADLO CC[C@@H]1CCN1c1[nH+]c(C(C)C)nc2[nH]ccc21 ZINC000631288690 342872233 /nfs/dbraw/zinc/87/22/33/342872233.db2.gz RNNQMHCNRAEIKH-SNVBAGLBSA-N 1 2 244.342 3.070 20 0 BGADLO C[C@H](CC(C)(C)O)Nc1cc2ccccc2c[nH+]1 ZINC000631290258 372278353 /nfs/dbraw/zinc/27/83/53/372278353.db2.gz PEOCJWVHHXCDBJ-LLVKDONJSA-N 1 2 244.338 3.196 20 0 BGADLO C[C@@H](CC(C)(C)O)Nc1cc2ccccc2c[nH+]1 ZINC000631290259 372278194 /nfs/dbraw/zinc/27/81/94/372278194.db2.gz PEOCJWVHHXCDBJ-NSHDSACASA-N 1 2 244.338 3.196 20 0 BGADLO CC(C)(CO)CCNc1cc2ccccc2c[nH+]1 ZINC000631291081 372278437 /nfs/dbraw/zinc/27/84/37/372278437.db2.gz SKHQYSCKPMWQSB-UHFFFAOYSA-N 1 2 244.338 3.055 20 0 BGADLO CCC1(CNc2cc3ccccc3c[nH+]2)COC1 ZINC000631293781 343076679 /nfs/dbraw/zinc/07/66/79/343076679.db2.gz FKRVKDNAOQCGIM-UHFFFAOYSA-N 1 2 242.322 3.073 20 0 BGADLO CC1(C)COC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631295655 343322454 /nfs/dbraw/zinc/32/24/54/343322454.db2.gz WTDMBEYBOMDBJE-CYBMUJFWSA-N 1 2 242.322 3.072 20 0 BGADLO CC1(C)COC[C@@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631295658 343322585 /nfs/dbraw/zinc/32/25/85/343322585.db2.gz WTDMBEYBOMDBJE-ZDUSSCGKSA-N 1 2 242.322 3.072 20 0 BGADLO C[C@@H]1CC[C@H](CNc2cc3ccccc3c[nH+]2)O1 ZINC000631298001 372283221 /nfs/dbraw/zinc/28/32/21/372283221.db2.gz UWLILUDUHXIHQL-BXUZGUMPSA-N 1 2 242.322 3.214 20 0 BGADLO C[C@H]1CC[C@@H](CNc2cc3ccccc3c[nH+]2)O1 ZINC000631298002 372283183 /nfs/dbraw/zinc/28/31/83/372283183.db2.gz UWLILUDUHXIHQL-FZMZJTMJSA-N 1 2 242.322 3.214 20 0 BGADLO C[C@@H]1CC[C@@H](CNc2cc3ccccc3c[nH+]2)O1 ZINC000631298003 372283099 /nfs/dbraw/zinc/28/30/99/372283099.db2.gz UWLILUDUHXIHQL-RISCZKNCSA-N 1 2 242.322 3.214 20 0 BGADLO C[C@H]1CC[C@H](CNc2cc3ccccc3c[nH+]2)O1 ZINC000631298004 372283026 /nfs/dbraw/zinc/28/30/26/372283026.db2.gz UWLILUDUHXIHQL-SMDDNHRTSA-N 1 2 242.322 3.214 20 0 BGADLO COCC[C@@H](C)CNc1cc2ccccc2c[nH+]1 ZINC000631299647 343556695 /nfs/dbraw/zinc/55/66/95/343556695.db2.gz JOVKHUSQSLXPLY-GFCCVEGCSA-N 1 2 244.338 3.319 20 0 BGADLO COCC[C@H](C)CNc1cc2ccccc2c[nH+]1 ZINC000631299648 343556298 /nfs/dbraw/zinc/55/62/98/343556298.db2.gz JOVKHUSQSLXPLY-LBPRGKRZSA-N 1 2 244.338 3.319 20 0 BGADLO CC[C@@H]1OCC[C@H]1Nc1cc2ccccc2c[nH+]1 ZINC000631300301 343624714 /nfs/dbraw/zinc/62/47/14/343624714.db2.gz FKCWFXMVJGYOMK-KGLIPLIRSA-N 1 2 242.322 3.214 20 0 BGADLO FC1(F)CCCN(c2cc3ccccc3c[nH+]2)C1 ZINC000631329437 372298276 /nfs/dbraw/zinc/29/82/76/372298276.db2.gz NDUJXOJTVKXUST-UHFFFAOYSA-N 1 2 248.276 3.470 20 0 BGADLO c1ccc2cc(N3CC[C@H]4C[C@H]4C3)[nH+]cc2c1 ZINC000631378301 372323908 /nfs/dbraw/zinc/32/39/08/372323908.db2.gz NENFVWDQJIRJKG-JSGCOSHPSA-N 1 2 224.307 3.081 20 0 BGADLO c1ccc2cc(N3CC[C@@H]4C[C@@H]4C3)[nH+]cc2c1 ZINC000631378303 343286149 /nfs/dbraw/zinc/28/61/49/343286149.db2.gz NENFVWDQJIRJKG-TZMCWYRMSA-N 1 2 224.307 3.081 20 0 BGADLO CC(C)(F)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000631405830 372340477 /nfs/dbraw/zinc/34/04/77/372340477.db2.gz FRPYWTNIDCTMFR-UHFFFAOYSA-N 1 2 236.212 3.260 20 0 BGADLO CCC[C@@H](CCO)Nc1cc2ccccc2c[nH+]1 ZINC000631427161 344270089 /nfs/dbraw/zinc/27/00/89/344270089.db2.gz PPNHARQTZCAMNF-AWEZNQCLSA-N 1 2 244.338 3.198 20 0 BGADLO CCC[C@H](CCO)Nc1cc2ccccc2c[nH+]1 ZINC000631427163 344269954 /nfs/dbraw/zinc/26/99/54/344269954.db2.gz PPNHARQTZCAMNF-CQSZACIVSA-N 1 2 244.338 3.198 20 0 BGADLO CCC[C@@H](CCO)Nc1[nH+]ccc(C)c1Cl ZINC000631427871 372357929 /nfs/dbraw/zinc/35/79/29/372357929.db2.gz QAEASUMXKDDJMC-JTQLQIEISA-N 1 2 242.750 3.006 20 0 BGADLO CCC[C@H](CCO)Nc1[nH+]ccc(C)c1Cl ZINC000631427872 372358050 /nfs/dbraw/zinc/35/80/50/372358050.db2.gz QAEASUMXKDDJMC-SNVBAGLBSA-N 1 2 242.750 3.006 20 0 BGADLO c1ccc(N2CCC3(CCSCC3)CC2)[nH+]c1 ZINC000631444768 372369107 /nfs/dbraw/zinc/36/91/07/372369107.db2.gz MOJWMTOSBARNLN-UHFFFAOYSA-N 1 2 248.395 3.195 20 0 BGADLO FCCC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000631447901 344908238 /nfs/dbraw/zinc/90/82/38/344908238.db2.gz GCWPYICTGKTTFH-UHFFFAOYSA-N 1 2 247.317 3.139 20 0 BGADLO C[C@@H]1C[C@H](Nc2cc3ccccc3c[nH+]2)[C@@H](C)O1 ZINC000631465684 372379877 /nfs/dbraw/zinc/37/98/77/372379877.db2.gz LCQUPCILSSTCNI-GYSYKLTISA-N 1 2 242.322 3.213 20 0 BGADLO C[C@@H]1C[C@@H](Nc2cc3ccccc3c[nH+]2)[C@@H](C)O1 ZINC000631465685 372379824 /nfs/dbraw/zinc/37/98/24/372379824.db2.gz LCQUPCILSSTCNI-JTNHKYCSSA-N 1 2 242.322 3.213 20 0 BGADLO C[C@@H]1C[C@H](Nc2cc3ccccc3c[nH+]2)[C@H](C)O1 ZINC000631465686 372379984 /nfs/dbraw/zinc/37/99/84/372379984.db2.gz LCQUPCILSSTCNI-SUNKGSAMSA-N 1 2 242.322 3.213 20 0 BGADLO C[C@@H]1C[C@@H](Nc2cc3ccccc3c[nH+]2)[C@H](C)O1 ZINC000631465687 372379544 /nfs/dbraw/zinc/37/95/44/372379544.db2.gz LCQUPCILSSTCNI-UHIISALHSA-N 1 2 242.322 3.213 20 0 BGADLO c1cc(N[C@]23C[C@H]2CCCC3)nc(C2CC2)[nH+]1 ZINC000631475575 372384641 /nfs/dbraw/zinc/38/46/41/372384641.db2.gz LIQWEQDNHWGREQ-BXUZGUMPSA-N 1 2 229.327 3.099 20 0 BGADLO c1cc(N[C@@]23C[C@@H]2CCCC3)nc(C2CC2)[nH+]1 ZINC000631475576 372384696 /nfs/dbraw/zinc/38/46/96/372384696.db2.gz LIQWEQDNHWGREQ-FZMZJTMJSA-N 1 2 229.327 3.099 20 0 BGADLO c1ccc(NCC2([C@H]3CCCCO3)CCC2)[nH+]c1 ZINC000631511588 372401629 /nfs/dbraw/zinc/40/16/29/372401629.db2.gz DJVQGXDBLXXHCV-CYBMUJFWSA-N 1 2 246.354 3.233 20 0 BGADLO c1ccc(NCC2([C@@H]3CCCCO3)CCC2)[nH+]c1 ZINC000631511589 372401480 /nfs/dbraw/zinc/40/14/80/372401480.db2.gz DJVQGXDBLXXHCV-ZDUSSCGKSA-N 1 2 246.354 3.233 20 0 BGADLO Cc1ccc(N[C@H]2CCCc3ncccc32)c[nH+]1 ZINC000631605474 372455450 /nfs/dbraw/zinc/45/54/50/372455450.db2.gz DWYNOFHATXVAPZ-HNNXBMFYSA-N 1 2 239.322 3.275 20 0 BGADLO Cc1ccc(N[C@@H]2CCCc3ncccc32)c[nH+]1 ZINC000631605476 372455354 /nfs/dbraw/zinc/45/53/54/372455354.db2.gz DWYNOFHATXVAPZ-OAHLLOKOSA-N 1 2 239.322 3.275 20 0 BGADLO CCC[C@@H]([NH2+]Cc1cocn1)c1cc(C)ccn1 ZINC000631609059 372457840 /nfs/dbraw/zinc/45/78/40/372457840.db2.gz VADIASZSRMZYKI-CYBMUJFWSA-N 1 2 245.326 3.009 20 0 BGADLO CCC[C@H]([NH2+]Cc1cocn1)c1cc(C)ccn1 ZINC000631609101 372457793 /nfs/dbraw/zinc/45/77/93/372457793.db2.gz VADIASZSRMZYKI-ZDUSSCGKSA-N 1 2 245.326 3.009 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCCc2ncccc21)C(F)F ZINC000631634911 372472704 /nfs/dbraw/zinc/47/27/04/372472704.db2.gz OAAORHMCPXKPEP-CMPLNLGQSA-N 1 2 240.297 3.092 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCCc2ncccc21)C(F)F ZINC000631634912 372472024 /nfs/dbraw/zinc/47/20/24/372472024.db2.gz OAAORHMCPXKPEP-JQWIXIFHSA-N 1 2 240.297 3.092 20 0 BGADLO CC[C@@H]([NH2+][C@H]1CCCc2ncccc21)C(F)F ZINC000631634913 372472120 /nfs/dbraw/zinc/47/21/20/372472120.db2.gz OAAORHMCPXKPEP-PWSUYJOCSA-N 1 2 240.297 3.092 20 0 BGADLO CC[C@@H]([NH2+][C@@H]1CCCc2ncccc21)C(F)F ZINC000631634914 372472437 /nfs/dbraw/zinc/47/24/37/372472437.db2.gz OAAORHMCPXKPEP-ZYHUDNBSSA-N 1 2 240.297 3.092 20 0 BGADLO CCC[C@@H]([NH2+]CC(C)(F)F)c1cc(C)ccn1 ZINC000631635529 351328510 /nfs/dbraw/zinc/32/85/10/351328510.db2.gz WLZONCGITCUPQT-LLVKDONJSA-N 1 2 242.313 3.476 20 0 BGADLO CCC[C@H]([NH2+]CC(C)(F)F)c1cc(C)ccn1 ZINC000631635541 351328151 /nfs/dbraw/zinc/32/81/51/351328151.db2.gz WLZONCGITCUPQT-NSHDSACASA-N 1 2 242.313 3.476 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631650723 372480383 /nfs/dbraw/zinc/48/03/83/372480383.db2.gz PIPPUOSGNGWJHN-GFCCVEGCSA-N 1 2 240.297 3.094 20 0 BGADLO CCC(F)(F)C[NH2+][C@H]1CCCc2ncccc21 ZINC000631650724 372480766 /nfs/dbraw/zinc/48/07/66/372480766.db2.gz PIPPUOSGNGWJHN-LBPRGKRZSA-N 1 2 240.297 3.094 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1csc(C)c1C ZINC000631681699 372505310 /nfs/dbraw/zinc/50/53/10/372505310.db2.gz FSLJGZGQRMOQDK-SECBINFHSA-N 1 2 249.383 3.247 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1csc(C)c1C ZINC000631681700 372505539 /nfs/dbraw/zinc/50/55/39/372505539.db2.gz FSLJGZGQRMOQDK-VIFPVBQESA-N 1 2 249.383 3.247 20 0 BGADLO Cc1ccc(C[NH2+][C@@H]2CCCc3scnc32)o1 ZINC000631730528 372535352 /nfs/dbraw/zinc/53/53/52/372535352.db2.gz WMJIVVRBJGFOQE-LLVKDONJSA-N 1 2 248.351 3.212 20 0 BGADLO Cc1ccc(C[NH2+][C@H]2CCCc3scnc32)o1 ZINC000631730529 372534996 /nfs/dbraw/zinc/53/49/96/372534996.db2.gz WMJIVVRBJGFOQE-NSHDSACASA-N 1 2 248.351 3.212 20 0 BGADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccco2)sn1 ZINC000634532887 374291880 /nfs/dbraw/zinc/29/18/80/374291880.db2.gz GBZDVYXQWXMSRD-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)sn1 ZINC000634532887 374291873 /nfs/dbraw/zinc/29/18/73/374291873.db2.gz GBZDVYXQWXMSRD-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccco2)sn1 ZINC000634532888 374291183 /nfs/dbraw/zinc/29/11/83/374291183.db2.gz GBZDVYXQWXMSRD-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccco2)sn1 ZINC000634532888 374291178 /nfs/dbraw/zinc/29/11/78/374291178.db2.gz GBZDVYXQWXMSRD-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO CCc1c(C)nn(-c2cc[nH+]cc2Cl)c1C ZINC000634608889 343004233 /nfs/dbraw/zinc/00/42/33/343004233.db2.gz PICIVTAFQHUEQF-UHFFFAOYSA-N 1 2 235.718 3.100 20 0 BGADLO CC(C)=C(C)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000635550849 345614721 /nfs/dbraw/zinc/61/47/21/345614721.db2.gz JLRCOLLVNQVMEC-UHFFFAOYSA-N 1 2 243.310 3.019 20 0 BGADLO CC(C)=C(C)CC(=O)Nc1ccc(C)[nH+]c1C ZINC000635669452 345970027 /nfs/dbraw/zinc/97/00/27/345970027.db2.gz DTVOZZSBNSMHJZ-UHFFFAOYSA-N 1 2 232.327 3.383 20 0 BGADLO Cc1ccc(NC(=O)C2CCC=CCC2)c(C)[nH+]1 ZINC000635670566 345970713 /nfs/dbraw/zinc/97/07/13/345970713.db2.gz MTSGNUBPOZXEBZ-UHFFFAOYSA-N 1 2 244.338 3.383 20 0 BGADLO CC(C)=C(C)CC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000635879055 346096704 /nfs/dbraw/zinc/09/67/04/346096704.db2.gz COQPBGASKOPFKE-UHFFFAOYSA-N 1 2 243.310 3.019 20 0 BGADLO CC(C)=C(C)CC(=O)NCc1c[nH+]c(C)cc1C ZINC000636005724 346147704 /nfs/dbraw/zinc/14/77/04/346147704.db2.gz BBWAOCCDQLZFTF-UHFFFAOYSA-N 1 2 246.354 3.061 20 0 BGADLO CC(C)=C(C)CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000636050768 346300293 /nfs/dbraw/zinc/30/02/93/346300293.db2.gz FTCHDFKOHSVUOA-UHFFFAOYSA-N 1 2 246.354 3.061 20 0 BGADLO Cc1cocc1C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000636581832 347519435 /nfs/dbraw/zinc/51/94/35/347519435.db2.gz MFZWMGTXJUKOJB-UHFFFAOYSA-N 1 2 244.294 3.161 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H]1CCCC12CC2 ZINC000637242148 350340104 /nfs/dbraw/zinc/34/01/04/350340104.db2.gz HGHYAQUFACDHCH-GFCCVEGCSA-N 1 2 244.338 3.217 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1CCCC12CC2 ZINC000637242149 350340280 /nfs/dbraw/zinc/34/02/80/350340280.db2.gz HGHYAQUFACDHCH-LBPRGKRZSA-N 1 2 244.338 3.217 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C1CCC=CCC1 ZINC000637242226 350339796 /nfs/dbraw/zinc/33/97/96/350339796.db2.gz JQWPKXJWAJMUNI-UHFFFAOYSA-N 1 2 244.338 3.383 20 0 BGADLO CN(c1ccccc1)[C@H](c1[nH+]ccn1C)C1CC1 ZINC000637826915 351674794 /nfs/dbraw/zinc/67/47/94/351674794.db2.gz JPWMMSAJSOFKJH-AWEZNQCLSA-N 1 2 241.338 3.008 20 0 BGADLO CN(c1ccccc1)[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000637826916 351675116 /nfs/dbraw/zinc/67/51/16/351675116.db2.gz JPWMMSAJSOFKJH-CQSZACIVSA-N 1 2 241.338 3.008 20 0 BGADLO CC(C)[N@@H+](Cc1ccco1)Cc1ccns1 ZINC000637894436 351766752 /nfs/dbraw/zinc/76/67/52/351766752.db2.gz DHMWWDPBWSPSAA-UHFFFAOYSA-N 1 2 236.340 3.147 20 0 BGADLO CC(C)[N@H+](Cc1ccco1)Cc1ccns1 ZINC000637894436 351766748 /nfs/dbraw/zinc/76/67/48/351766748.db2.gz DHMWWDPBWSPSAA-UHFFFAOYSA-N 1 2 236.340 3.147 20 0 BGADLO Cc1ccc(C[N@@H+](Cc2ccns2)C2CC2)o1 ZINC000637894929 351766814 /nfs/dbraw/zinc/76/68/14/351766814.db2.gz ABJHUMJXHBTIPZ-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO Cc1ccc(C[N@H+](Cc2ccns2)C2CC2)o1 ZINC000637894929 351766810 /nfs/dbraw/zinc/76/68/10/351766810.db2.gz ABJHUMJXHBTIPZ-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO C[C@@H](c1ccco1)[N@@H+](Cc1ccns1)C1CC1 ZINC000637972751 351848112 /nfs/dbraw/zinc/84/81/12/351848112.db2.gz VIABYQOODRCXPL-JTQLQIEISA-N 1 2 248.351 3.462 20 0 BGADLO C[C@@H](c1ccco1)[N@H+](Cc1ccns1)C1CC1 ZINC000637972751 351848108 /nfs/dbraw/zinc/84/81/08/351848108.db2.gz VIABYQOODRCXPL-JTQLQIEISA-N 1 2 248.351 3.462 20 0 BGADLO C[C@H](c1ccco1)[N@@H+](Cc1ccns1)C1CC1 ZINC000637972760 351848175 /nfs/dbraw/zinc/84/81/75/351848175.db2.gz VIABYQOODRCXPL-SNVBAGLBSA-N 1 2 248.351 3.462 20 0 BGADLO C[C@H](c1ccco1)[N@H+](Cc1ccns1)C1CC1 ZINC000637972760 351848172 /nfs/dbraw/zinc/84/81/72/351848172.db2.gz VIABYQOODRCXPL-SNVBAGLBSA-N 1 2 248.351 3.462 20 0 BGADLO C[N@@H+](CC(F)F)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000637974499 351850078 /nfs/dbraw/zinc/85/00/78/351850078.db2.gz VEOJYAWXBIDPJV-TZMCWYRMSA-N 1 2 239.309 3.377 20 0 BGADLO C[N@H+](CC(F)F)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000637974499 351850075 /nfs/dbraw/zinc/85/00/75/351850075.db2.gz VEOJYAWXBIDPJV-TZMCWYRMSA-N 1 2 239.309 3.377 20 0 BGADLO C[N@@H+](CC(F)F)CC(C)(C)Oc1ccccc1 ZINC000637974714 351850883 /nfs/dbraw/zinc/85/08/83/351850883.db2.gz YMLVTPZOSUILLU-UHFFFAOYSA-N 1 2 243.297 3.041 20 0 BGADLO C[N@H+](CC(F)F)CC(C)(C)Oc1ccccc1 ZINC000637974714 351850881 /nfs/dbraw/zinc/85/08/81/351850881.db2.gz YMLVTPZOSUILLU-UHFFFAOYSA-N 1 2 243.297 3.041 20 0 BGADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1ccns1 ZINC000638094524 351974926 /nfs/dbraw/zinc/97/49/26/351974926.db2.gz ISXFEMWBWXKECG-JTQLQIEISA-N 1 2 230.336 3.220 20 0 BGADLO C[C@H]1c2ccccc2C[N@H+]1Cc1ccns1 ZINC000638094524 351974924 /nfs/dbraw/zinc/97/49/24/351974924.db2.gz ISXFEMWBWXKECG-JTQLQIEISA-N 1 2 230.336 3.220 20 0 BGADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccns1 ZINC000638094525 351974548 /nfs/dbraw/zinc/97/45/48/351974548.db2.gz ISXFEMWBWXKECG-SNVBAGLBSA-N 1 2 230.336 3.220 20 0 BGADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1ccns1 ZINC000638094525 351974546 /nfs/dbraw/zinc/97/45/46/351974546.db2.gz ISXFEMWBWXKECG-SNVBAGLBSA-N 1 2 230.336 3.220 20 0 BGADLO Fc1cccc([C@H]2CC[N@H+]2Cc2ccns2)c1 ZINC000638126957 351997770 /nfs/dbraw/zinc/99/77/70/351997770.db2.gz DDQAFOOQGCWXMW-CYBMUJFWSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1cccc([C@H]2CC[N@@H+]2Cc2ccns2)c1 ZINC000638126957 351997765 /nfs/dbraw/zinc/99/77/65/351997765.db2.gz DDQAFOOQGCWXMW-CYBMUJFWSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1cccc([C@@H]2CC[N@H+]2Cc2ccns2)c1 ZINC000638126958 351997879 /nfs/dbraw/zinc/99/78/79/351997879.db2.gz DDQAFOOQGCWXMW-ZDUSSCGKSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1cccc([C@@H]2CC[N@@H+]2Cc2ccns2)c1 ZINC000638126958 351997875 /nfs/dbraw/zinc/99/78/75/351997875.db2.gz DDQAFOOQGCWXMW-ZDUSSCGKSA-N 1 2 248.326 3.229 20 0 BGADLO Cc1ccccc1N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000638186381 352050229 /nfs/dbraw/zinc/05/02/29/352050229.db2.gz SBFPKVWVJXIEIX-AWEZNQCLSA-N 1 2 241.338 3.292 20 0 BGADLO Cc1ccccc1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000638186382 352049910 /nfs/dbraw/zinc/04/99/10/352049910.db2.gz SBFPKVWVJXIEIX-CQSZACIVSA-N 1 2 241.338 3.292 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]CCC[C@@H]1CCO1 ZINC000638226946 352083229 /nfs/dbraw/zinc/08/32/29/352083229.db2.gz LZWAOPATJRMMLG-CYBMUJFWSA-N 1 2 249.354 3.375 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]CCC[C@H]1CCO1 ZINC000638226948 352082977 /nfs/dbraw/zinc/08/29/77/352082977.db2.gz LZWAOPATJRMMLG-ZDUSSCGKSA-N 1 2 249.354 3.375 20 0 BGADLO Cc1cnc(C[NH2+][C@H]2CCc3cc(C)ccc32)o1 ZINC000638426089 352234305 /nfs/dbraw/zinc/23/43/05/352234305.db2.gz SKLYWBCFHPUNAY-AWEZNQCLSA-N 1 2 242.322 3.069 20 0 BGADLO Cc1cnc(C[NH2+][C@@H]2CCc3cc(C)ccc32)o1 ZINC000638426090 352233922 /nfs/dbraw/zinc/23/39/22/352233922.db2.gz SKLYWBCFHPUNAY-CQSZACIVSA-N 1 2 242.322 3.069 20 0 BGADLO CCC[C@@H]([NH2+]Cc1ncc(C)o1)c1ccccn1 ZINC000638535885 352367296 /nfs/dbraw/zinc/36/72/96/352367296.db2.gz SQNSBTOJXNOLSP-GFCCVEGCSA-N 1 2 245.326 3.009 20 0 BGADLO CCC[C@H]([NH2+]Cc1ncc(C)o1)c1ccccn1 ZINC000638535886 352367401 /nfs/dbraw/zinc/36/74/01/352367401.db2.gz SQNSBTOJXNOLSP-LBPRGKRZSA-N 1 2 245.326 3.009 20 0 BGADLO Cc1cnc(C[NH2+][C@H]2CCc3c2cccc3C)o1 ZINC000638545462 352377544 /nfs/dbraw/zinc/37/75/44/352377544.db2.gz UJUVNRFESQLRIT-AWEZNQCLSA-N 1 2 242.322 3.069 20 0 BGADLO Cc1cnc(C[NH2+][C@@H]2CCc3c2cccc3C)o1 ZINC000638545465 352377371 /nfs/dbraw/zinc/37/73/71/352377371.db2.gz UJUVNRFESQLRIT-CQSZACIVSA-N 1 2 242.322 3.069 20 0 BGADLO CSc1ccc(N[C@@H]2CS[C@H](C)C2)[nH+]c1 ZINC000638760150 352697243 /nfs/dbraw/zinc/69/72/43/352697243.db2.gz PUMXBKSDOJBJTK-BDAKNGLRSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc(N[C@H]2CS[C@@H](C)C2)[nH+]c1 ZINC000638760151 352697279 /nfs/dbraw/zinc/69/72/79/352697279.db2.gz PUMXBKSDOJBJTK-DTWKUNHWSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc(N[C@@H]2CS[C@@H](C)C2)[nH+]c1 ZINC000638760152 352697283 /nfs/dbraw/zinc/69/72/83/352697283.db2.gz PUMXBKSDOJBJTK-IUCAKERBSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc(N[C@H]2CS[C@H](C)C2)[nH+]c1 ZINC000638760153 352697233 /nfs/dbraw/zinc/69/72/33/352697233.db2.gz PUMXBKSDOJBJTK-RKDXNWHRSA-N 1 2 240.397 3.109 20 0 BGADLO CC[C@](C)(CNc1ccc(SC)c[nH+]1)OC ZINC000638760194 352697358 /nfs/dbraw/zinc/69/73/58/352697358.db2.gz QBUDVMZALWHZCW-GFCCVEGCSA-N 1 2 240.372 3.031 20 0 BGADLO CC[C@@](C)(CNc1ccc(SC)c[nH+]1)OC ZINC000638760195 352697247 /nfs/dbraw/zinc/69/72/47/352697247.db2.gz QBUDVMZALWHZCW-LBPRGKRZSA-N 1 2 240.372 3.031 20 0 BGADLO CSc1ccc(N[C@H](C)[C@@H]2CC2(F)F)[nH+]c1 ZINC000638760793 352695941 /nfs/dbraw/zinc/69/59/41/352695941.db2.gz VVPYOGKCCFXZRX-APPZFPTMSA-N 1 2 244.310 3.259 20 0 BGADLO CSc1ccc(N[C@@H](C)[C@@H]2CC2(F)F)[nH+]c1 ZINC000638760794 352695975 /nfs/dbraw/zinc/69/59/75/352695975.db2.gz VVPYOGKCCFXZRX-CBAPKCEASA-N 1 2 244.310 3.259 20 0 BGADLO CSc1ccc(N[C@@H](C)[C@H]2CC2(F)F)[nH+]c1 ZINC000638760795 352695848 /nfs/dbraw/zinc/69/58/48/352695848.db2.gz VVPYOGKCCFXZRX-IONNQARKSA-N 1 2 244.310 3.259 20 0 BGADLO CSc1ccc(N[C@H](C)[C@H]2CC2(F)F)[nH+]c1 ZINC000638760796 352695937 /nfs/dbraw/zinc/69/59/37/352695937.db2.gz VVPYOGKCCFXZRX-VXNVDRBHSA-N 1 2 244.310 3.259 20 0 BGADLO CO[C@@H](CNc1ccc(C)[nH+]c1)C1CCCC1 ZINC000638761520 352698686 /nfs/dbraw/zinc/69/86/86/352698686.db2.gz DHLFIGUKLVJNKC-AWEZNQCLSA-N 1 2 234.343 3.007 20 0 BGADLO CO[C@H](CNc1ccc(C)[nH+]c1)C1CCCC1 ZINC000638761521 352698783 /nfs/dbraw/zinc/69/87/83/352698783.db2.gz DHLFIGUKLVJNKC-CQSZACIVSA-N 1 2 234.343 3.007 20 0 BGADLO COc1cccc(C)c1CNc1ccc(C)[nH+]c1 ZINC000638761688 352699328 /nfs/dbraw/zinc/69/93/28/352699328.db2.gz IKYCFDXMVLHYEL-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1cscc1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000638782585 352735492 /nfs/dbraw/zinc/73/54/92/352735492.db2.gz WEANFVMQGZCFCE-GFCCVEGCSA-N 1 2 247.367 3.353 20 0 BGADLO Cc1cscc1N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000638782586 352735706 /nfs/dbraw/zinc/73/57/06/352735706.db2.gz WEANFVMQGZCFCE-LBPRGKRZSA-N 1 2 247.367 3.353 20 0 BGADLO CO[C@@H](CNc1ccc[nH+]c1C)C1CCCC1 ZINC000638786479 385964922 /nfs/dbraw/zinc/96/49/22/385964922.db2.gz OJGWBUFSYSLCEN-AWEZNQCLSA-N 1 2 234.343 3.007 20 0 BGADLO CO[C@H](CNc1ccc[nH+]c1C)C1CCCC1 ZINC000638786482 385965775 /nfs/dbraw/zinc/96/57/75/385965775.db2.gz OJGWBUFSYSLCEN-CQSZACIVSA-N 1 2 234.343 3.007 20 0 BGADLO COc1cccc(C)c1CNc1c[nH+]cc(C)c1 ZINC000638787485 352742615 /nfs/dbraw/zinc/74/26/15/352742615.db2.gz DYISDGXUOIGTPG-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO CO[C@@H](CNc1c[nH+]cc(C)c1)C1CCCC1 ZINC000638787488 352743525 /nfs/dbraw/zinc/74/35/25/352743525.db2.gz FGCNMRIHHNWWAZ-AWEZNQCLSA-N 1 2 234.343 3.007 20 0 BGADLO CO[C@H](CNc1c[nH+]cc(C)c1)C1CCCC1 ZINC000638787489 352743447 /nfs/dbraw/zinc/74/34/47/352743447.db2.gz FGCNMRIHHNWWAZ-CQSZACIVSA-N 1 2 234.343 3.007 20 0 BGADLO Cc1ccc(NCc2cc(C3CC3)no2)c(C)[nH+]1 ZINC000638791271 352751801 /nfs/dbraw/zinc/75/18/01/352751801.db2.gz GKQURZULVUIBTB-UHFFFAOYSA-N 1 2 243.310 3.176 20 0 BGADLO Cc1ccc(N[C@H](C)[C@H]2CC2(F)F)c(C)[nH+]1 ZINC000638793397 352756477 /nfs/dbraw/zinc/75/64/77/352756477.db2.gz WBWAYZKPKPSSHM-PSASIEDQSA-N 1 2 226.270 3.154 20 0 BGADLO Cc1ccc(N[C@H](C)[C@@H]2CC2(F)F)c(C)[nH+]1 ZINC000638793398 352756569 /nfs/dbraw/zinc/75/65/69/352756569.db2.gz WBWAYZKPKPSSHM-SCZZXKLOSA-N 1 2 226.270 3.154 20 0 BGADLO Cc1ccc(N[C@@H](C)[C@H]2CC2(F)F)c(C)[nH+]1 ZINC000638793399 352756590 /nfs/dbraw/zinc/75/65/90/352756590.db2.gz WBWAYZKPKPSSHM-WCBMZHEXSA-N 1 2 226.270 3.154 20 0 BGADLO Cc1ccc(N[C@@H](C)[C@@H]2CC2(F)F)c(C)[nH+]1 ZINC000638793400 352756517 /nfs/dbraw/zinc/75/65/17/352756517.db2.gz WBWAYZKPKPSSHM-WPRPVWTQSA-N 1 2 226.270 3.154 20 0 BGADLO FC1(F)CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000638842351 353018604 /nfs/dbraw/zinc/01/86/04/353018604.db2.gz PUWATBFCFIISDE-UHFFFAOYSA-N 1 2 248.276 3.076 20 0 BGADLO FC1(F)CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000638842351 353018602 /nfs/dbraw/zinc/01/86/02/353018602.db2.gz PUWATBFCFIISDE-UHFFFAOYSA-N 1 2 248.276 3.076 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2cccnc2)c(F)c1 ZINC000638919495 353084602 /nfs/dbraw/zinc/08/46/02/353084602.db2.gz QNBVEWINWVHFQA-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2cccnc2)c(F)c1 ZINC000638919495 353084600 /nfs/dbraw/zinc/08/46/00/353084600.db2.gz QNBVEWINWVHFQA-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO COc1cccc(C)c1C[N@H+]1CCC=C(F)C1 ZINC000638940250 353127487 /nfs/dbraw/zinc/12/74/87/353127487.db2.gz QECPTVUZQBRHAG-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO COc1cccc(C)c1C[N@@H+]1CCC=C(F)C1 ZINC000638940250 353127486 /nfs/dbraw/zinc/12/74/86/353127486.db2.gz QECPTVUZQBRHAG-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO Cc1cc(C)cc([N@@H+](C)CCC[C@H]2CCO2)c1 ZINC000638947679 353150136 /nfs/dbraw/zinc/15/01/36/353150136.db2.gz HNDMTGODDUYCDG-HNNXBMFYSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1cc(C)cc([N@H+](C)CCC[C@H]2CCO2)c1 ZINC000638947679 353150132 /nfs/dbraw/zinc/15/01/32/353150132.db2.gz HNDMTGODDUYCDG-HNNXBMFYSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1cc(C)cc([N@@H+](C)CCC[C@@H]2CCO2)c1 ZINC000638947680 353150008 /nfs/dbraw/zinc/15/00/08/353150008.db2.gz HNDMTGODDUYCDG-OAHLLOKOSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1cc(C)cc([N@H+](C)CCC[C@@H]2CCO2)c1 ZINC000638947680 353150006 /nfs/dbraw/zinc/15/00/06/353150006.db2.gz HNDMTGODDUYCDG-OAHLLOKOSA-N 1 2 233.355 3.309 20 0 BGADLO CC[N@@H+](CCC[C@H]1CCO1)c1ccccc1 ZINC000638947807 353150462 /nfs/dbraw/zinc/15/04/62/353150462.db2.gz NMBHFUPGCSLTRV-AWEZNQCLSA-N 1 2 219.328 3.082 20 0 BGADLO CC[N@H+](CCC[C@H]1CCO1)c1ccccc1 ZINC000638947807 353150461 /nfs/dbraw/zinc/15/04/61/353150461.db2.gz NMBHFUPGCSLTRV-AWEZNQCLSA-N 1 2 219.328 3.082 20 0 BGADLO CC[N@@H+](CCC[C@@H]1CCO1)c1ccccc1 ZINC000638947816 353150510 /nfs/dbraw/zinc/15/05/10/353150510.db2.gz NMBHFUPGCSLTRV-CQSZACIVSA-N 1 2 219.328 3.082 20 0 BGADLO CC[N@H+](CCC[C@@H]1CCO1)c1ccccc1 ZINC000638947816 353150508 /nfs/dbraw/zinc/15/05/08/353150508.db2.gz NMBHFUPGCSLTRV-CQSZACIVSA-N 1 2 219.328 3.082 20 0 BGADLO c1cc(CNc2c[nH+]c3c(c2)CCCC3)sn1 ZINC000638974106 353179632 /nfs/dbraw/zinc/17/96/32/353179632.db2.gz OABNUVFEADDGAI-UHFFFAOYSA-N 1 2 245.351 3.029 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2ccccn2)c(F)c1 ZINC000639041959 353323146 /nfs/dbraw/zinc/32/31/46/353323146.db2.gz QKMYTKSZFAFQFM-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2ccccn2)c(F)c1 ZINC000639041959 353323142 /nfs/dbraw/zinc/32/31/42/353323142.db2.gz QKMYTKSZFAFQFM-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1ccc(C)c([N@@H+](C)CCC[C@H]2CCO2)c1 ZINC000639045054 353333300 /nfs/dbraw/zinc/33/33/00/353333300.db2.gz FWSHYEOOACIHCR-AWEZNQCLSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1ccc(C)c([N@H+](C)CCC[C@H]2CCO2)c1 ZINC000639045054 353333298 /nfs/dbraw/zinc/33/32/98/353333298.db2.gz FWSHYEOOACIHCR-AWEZNQCLSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1ccc(C)c([N@@H+](C)CCC[C@@H]2CCO2)c1 ZINC000639045055 353333173 /nfs/dbraw/zinc/33/31/73/353333173.db2.gz FWSHYEOOACIHCR-CQSZACIVSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1ccc(C)c([N@H+](C)CCC[C@@H]2CCO2)c1 ZINC000639045055 353333171 /nfs/dbraw/zinc/33/31/71/353333171.db2.gz FWSHYEOOACIHCR-CQSZACIVSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1cccc([N@@H+](C)CCC[C@H]2CCO2)c1C ZINC000639082600 353420639 /nfs/dbraw/zinc/42/06/39/353420639.db2.gz UKPROKSOLBRHFV-AWEZNQCLSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1cccc([N@H+](C)CCC[C@H]2CCO2)c1C ZINC000639082600 353420636 /nfs/dbraw/zinc/42/06/36/353420636.db2.gz UKPROKSOLBRHFV-AWEZNQCLSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1cccc([N@@H+](C)CCC[C@@H]2CCO2)c1C ZINC000639082601 353421081 /nfs/dbraw/zinc/42/10/81/353421081.db2.gz UKPROKSOLBRHFV-CQSZACIVSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1cccc([N@H+](C)CCC[C@@H]2CCO2)c1C ZINC000639082601 353421079 /nfs/dbraw/zinc/42/10/79/353421079.db2.gz UKPROKSOLBRHFV-CQSZACIVSA-N 1 2 233.355 3.309 20 0 BGADLO CC[C@H]([NH2+]CC1CCSCC1)C(F)(F)F ZINC000639094551 353478690 /nfs/dbraw/zinc/47/86/90/353478690.db2.gz HHTQZRJTXNEGTL-VIFPVBQESA-N 1 2 241.322 3.060 20 0 BGADLO CC(C)[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000639095396 353480592 /nfs/dbraw/zinc/48/05/92/353480592.db2.gz OFNLGTDDDTZBTQ-VLEAKVRGSA-N 1 2 235.293 3.209 20 0 BGADLO CC1C[NH+](Cc2cc(Cl)cc(Cl)c2N)C1 ZINC000639124759 353811070 /nfs/dbraw/zinc/81/10/70/353811070.db2.gz VNCMVOKXRGMBAE-UHFFFAOYSA-N 1 2 245.153 3.027 20 0 BGADLO CC(C)O[C@H](C[NH2+]CC(F)F)c1ccccc1 ZINC000639161356 353930920 /nfs/dbraw/zinc/93/09/20/353930920.db2.gz BTCSBIVAOBCRHT-GFCCVEGCSA-N 1 2 243.297 3.007 20 0 BGADLO CC(C)O[C@@H](C[NH2+]CC(F)F)c1ccccc1 ZINC000639161357 353930840 /nfs/dbraw/zinc/93/08/40/353930840.db2.gz BTCSBIVAOBCRHT-LBPRGKRZSA-N 1 2 243.297 3.007 20 0 BGADLO Cc1cc(C[NH2+]C2(C(F)F)CCCC2)sn1 ZINC000639186931 354387821 /nfs/dbraw/zinc/38/78/21/354387821.db2.gz VRSCWLHWEFQETN-UHFFFAOYSA-N 1 2 246.326 3.119 20 0 BGADLO FC(F)(F)[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000639189380 354452819 /nfs/dbraw/zinc/45/28/19/354452819.db2.gz YJCODIILBABAFX-KXGXSXBTSA-N 1 2 247.304 3.353 20 0 BGADLO FC(F)(F)[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000639189382 354452856 /nfs/dbraw/zinc/45/28/56/354452856.db2.gz YJCODIILBABAFX-SASUGWTJSA-N 1 2 247.304 3.353 20 0 BGADLO CCC1(C)C[NH+](Cc2nc3cc(F)ccc3o2)C1 ZINC000639255022 355295578 /nfs/dbraw/zinc/29/55/78/355295578.db2.gz KOCVRQJXQITOPZ-UHFFFAOYSA-N 1 2 248.301 3.199 20 0 BGADLO CC[N@@H+](Cc1ccns1)Cc1occc1C ZINC000639264128 386758977 /nfs/dbraw/zinc/75/89/77/386758977.db2.gz AXDGPSWEAXMHES-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CC[N@H+](Cc1ccns1)Cc1occc1C ZINC000639264128 386758973 /nfs/dbraw/zinc/75/89/73/386758973.db2.gz AXDGPSWEAXMHES-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)[C@H]1CCCCO1 ZINC000639293277 355545234 /nfs/dbraw/zinc/54/52/34/355545234.db2.gz ARDKMASAICCBSC-BXUZGUMPSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)[C@@H]1CCCCO1 ZINC000639293278 355545269 /nfs/dbraw/zinc/54/52/69/355545269.db2.gz ARDKMASAICCBSC-FZMZJTMJSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)[C@@H]1CCCCO1 ZINC000639293279 355545171 /nfs/dbraw/zinc/54/51/71/355545171.db2.gz ARDKMASAICCBSC-RISCZKNCSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)[C@H]1CCCCO1 ZINC000639293280 355545038 /nfs/dbraw/zinc/54/50/38/355545038.db2.gz ARDKMASAICCBSC-SMDDNHRTSA-N 1 2 234.343 3.014 20 0 BGADLO CC[C@](C)(CNc1[nH+]cccc1SC)OC ZINC000639293329 355529717 /nfs/dbraw/zinc/52/97/17/355529717.db2.gz CAEOULIQVXWSGL-GFCCVEGCSA-N 1 2 240.372 3.031 20 0 BGADLO CC[C@@](C)(CNc1[nH+]cccc1SC)OC ZINC000639293330 355529481 /nfs/dbraw/zinc/52/94/81/355529481.db2.gz CAEOULIQVXWSGL-LBPRGKRZSA-N 1 2 240.372 3.031 20 0 BGADLO CCc1cc[nH+]cc1NCc1cc(C2CC2)no1 ZINC000639293506 355533813 /nfs/dbraw/zinc/53/38/13/355533813.db2.gz CUVNDEQEBSEIIC-UHFFFAOYSA-N 1 2 243.310 3.122 20 0 BGADLO CCC[C@@H](CNc1[nH+]cccc1SC)OC ZINC000639294148 355554598 /nfs/dbraw/zinc/55/45/98/355554598.db2.gz IZPGSGQWSSPIAN-JTQLQIEISA-N 1 2 240.372 3.031 20 0 BGADLO CCC[C@H](CNc1[nH+]cccc1SC)OC ZINC000639294150 355554375 /nfs/dbraw/zinc/55/43/75/355554375.db2.gz IZPGSGQWSSPIAN-SNVBAGLBSA-N 1 2 240.372 3.031 20 0 BGADLO CSc1ccc[nH+]c1N[C@H](C)[C@H]1CC1(F)F ZINC000639294515 355552609 /nfs/dbraw/zinc/55/26/09/355552609.db2.gz KNXFEAGVYLVEFN-HTQZYQBOSA-N 1 2 244.310 3.259 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H](C)[C@H]1CC1(F)F ZINC000639294518 355552803 /nfs/dbraw/zinc/55/28/03/355552803.db2.gz KNXFEAGVYLVEFN-JGVFFNPUSA-N 1 2 244.310 3.259 20 0 BGADLO CSc1ccc[nH+]c1N[C@H](C)[C@@H]1CC1(F)F ZINC000639294522 355552598 /nfs/dbraw/zinc/55/25/98/355552598.db2.gz KNXFEAGVYLVEFN-SFYZADRCSA-N 1 2 244.310 3.259 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H](C)[C@@H]1CC1(F)F ZINC000639294525 355553730 /nfs/dbraw/zinc/55/37/30/355553730.db2.gz KNXFEAGVYLVEFN-YUMQZZPRSA-N 1 2 244.310 3.259 20 0 BGADLO CCc1cc[nH+]cc1NCc1cc(C)ns1 ZINC000639295147 355577942 /nfs/dbraw/zinc/57/79/42/355577942.db2.gz OEJJOEIDMUJBQH-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCOC(C)(C)C1 ZINC000639295289 355579869 /nfs/dbraw/zinc/57/98/69/355579869.db2.gz PNTMMDAGRFNMGF-GFCCVEGCSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCOC(C)(C)C1 ZINC000639295290 355579224 /nfs/dbraw/zinc/57/92/24/355579224.db2.gz PNTMMDAGRFNMGF-LBPRGKRZSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)[C@H]1CC1(F)F ZINC000639295620 355584950 /nfs/dbraw/zinc/58/49/50/355584950.db2.gz QKSFFYNUYNTGKK-PSASIEDQSA-N 1 2 226.270 3.100 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)[C@@H]1CC1(F)F ZINC000639295621 355585002 /nfs/dbraw/zinc/58/50/02/355585002.db2.gz QKSFFYNUYNTGKK-SCZZXKLOSA-N 1 2 226.270 3.100 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)[C@H]1CC1(F)F ZINC000639295622 355584576 /nfs/dbraw/zinc/58/45/76/355584576.db2.gz QKSFFYNUYNTGKK-WCBMZHEXSA-N 1 2 226.270 3.100 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)[C@@H]1CC1(F)F ZINC000639295623 355584830 /nfs/dbraw/zinc/58/48/30/355584830.db2.gz QKSFFYNUYNTGKK-WPRPVWTQSA-N 1 2 226.270 3.100 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CS[C@H](C)C1 ZINC000639295898 355590913 /nfs/dbraw/zinc/59/09/13/355590913.db2.gz SFJHZURCVAFDOA-BDAKNGLRSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc[nH+]c1N[C@H]1CS[C@@H](C)C1 ZINC000639295899 355590475 /nfs/dbraw/zinc/59/04/75/355590475.db2.gz SFJHZURCVAFDOA-DTWKUNHWSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CS[C@@H](C)C1 ZINC000639295900 355590526 /nfs/dbraw/zinc/59/05/26/355590526.db2.gz SFJHZURCVAFDOA-IUCAKERBSA-N 1 2 240.397 3.109 20 0 BGADLO CSc1ccc[nH+]c1N[C@H]1CS[C@H](C)C1 ZINC000639295901 355590493 /nfs/dbraw/zinc/59/04/93/355590493.db2.gz SFJHZURCVAFDOA-RKDXNWHRSA-N 1 2 240.397 3.109 20 0 BGADLO c1cc(CNc2c[nH+]cc3c2CCCC3)sn1 ZINC000639302803 355650330 /nfs/dbraw/zinc/65/03/30/355650330.db2.gz JEIJYTQRDMIDAE-UHFFFAOYSA-N 1 2 245.351 3.029 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]CCC[C@@H]1CCO1 ZINC000639307168 355662391 /nfs/dbraw/zinc/66/23/91/355662391.db2.gz PTZHGADQYZJNNE-CYBMUJFWSA-N 1 2 249.354 3.293 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]CCC[C@H]1CCO1 ZINC000639307169 355662291 /nfs/dbraw/zinc/66/22/91/355662291.db2.gz PTZHGADQYZJNNE-ZDUSSCGKSA-N 1 2 249.354 3.293 20 0 BGADLO COCc1cc[nH+]c(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000639313367 355686583 /nfs/dbraw/zinc/68/65/83/355686583.db2.gz REVRUEOQYYGCCP-BNOWGMLFSA-N 1 2 246.354 3.076 20 0 BGADLO COCc1cc[nH+]c(NC[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000639313368 355686137 /nfs/dbraw/zinc/68/61/37/355686137.db2.gz REVRUEOQYYGCCP-KWCYVHTRSA-N 1 2 246.354 3.076 20 0 BGADLO COCc1cc[nH+]c(NCC2(C(C)C)CC2)c1 ZINC000639313442 355689990 /nfs/dbraw/zinc/68/99/90/355689990.db2.gz TWNSRPDLVCCCFE-UHFFFAOYSA-N 1 2 234.343 3.076 20 0 BGADLO Cn1ncc2c1C[N@@H+](CCCC1CCCCC1)C2 ZINC000639319237 355713723 /nfs/dbraw/zinc/71/37/23/355713723.db2.gz FINUAKLTLZVWTR-UHFFFAOYSA-N 1 2 247.386 3.096 20 0 BGADLO Cn1ncc2c1C[N@H+](CCCC1CCCCC1)C2 ZINC000639319237 355713720 /nfs/dbraw/zinc/71/37/20/355713720.db2.gz FINUAKLTLZVWTR-UHFFFAOYSA-N 1 2 247.386 3.096 20 0 BGADLO Cn1ncc2c1C[N@@H+](CCC1CCCCCC1)C2 ZINC000639320431 355721296 /nfs/dbraw/zinc/72/12/96/355721296.db2.gz MAHSTTOIQFSXNQ-UHFFFAOYSA-N 1 2 247.386 3.096 20 0 BGADLO Cn1ncc2c1C[N@H+](CCC1CCCCCC1)C2 ZINC000639320431 355721294 /nfs/dbraw/zinc/72/12/94/355721294.db2.gz MAHSTTOIQFSXNQ-UHFFFAOYSA-N 1 2 247.386 3.096 20 0 BGADLO Cc1cc(C[NH2+]CC(F)(F)C(C)(C)C)sn1 ZINC000639328092 355733632 /nfs/dbraw/zinc/73/36/32/355733632.db2.gz VEHKAXCBUMKPSR-UHFFFAOYSA-N 1 2 248.342 3.223 20 0 BGADLO Cc1nc(C[NH+]2CC(c3ccccc3)C2)cs1 ZINC000639361420 355815707 /nfs/dbraw/zinc/81/57/07/355815707.db2.gz AURKPHDEPCZHQM-UHFFFAOYSA-N 1 2 244.363 3.051 20 0 BGADLO CC1(F)CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000639388517 356006713 /nfs/dbraw/zinc/00/67/13/356006713.db2.gz FTXVJRCBYPJDQL-UHFFFAOYSA-N 1 2 248.754 3.121 20 0 BGADLO CC(C)(C)c1cnc(C[NH+]2CC(C)(C)C2)s1 ZINC000639392969 356062119 /nfs/dbraw/zinc/06/21/19/356062119.db2.gz DBXXEQXHDYDTML-UHFFFAOYSA-N 1 2 238.400 3.282 20 0 BGADLO CC(C)c1cnc(C[NH+]2CC(C)(C)C2)s1 ZINC000639392977 356062627 /nfs/dbraw/zinc/06/26/27/356062627.db2.gz DJOXBHQKBMEGAI-UHFFFAOYSA-N 1 2 224.373 3.108 20 0 BGADLO CC1(C)C[NH+](Cc2cscc2Cl)C1 ZINC000639393623 356080323 /nfs/dbraw/zinc/08/03/23/356080323.db2.gz PUXAKLPNRCDTHC-UHFFFAOYSA-N 1 2 215.749 3.243 20 0 BGADLO CC1(C)C[NH+](Cc2ccsc2Cl)C1 ZINC000639393866 356075967 /nfs/dbraw/zinc/07/59/67/356075967.db2.gz VVNICEXKNFLLBP-UHFFFAOYSA-N 1 2 215.749 3.243 20 0 BGADLO CC1(C)C[NH+](Cc2coc(-c3ccccc3)n2)C1 ZINC000639402376 356176259 /nfs/dbraw/zinc/17/62/59/356176259.db2.gz CKNRAXOGKGVYTE-UHFFFAOYSA-N 1 2 242.322 3.183 20 0 BGADLO CC(C)(C)c1nc(C[NH+]2CC(C)(C)C2)cs1 ZINC000639403659 356195148 /nfs/dbraw/zinc/19/51/48/356195148.db2.gz HNOHIQDDNYVDPW-UHFFFAOYSA-N 1 2 238.400 3.282 20 0 BGADLO CC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000639440772 356216388 /nfs/dbraw/zinc/21/63/88/356216388.db2.gz GLFUWJTUYOIOSU-CYBMUJFWSA-N 1 2 237.730 3.066 20 0 BGADLO CC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000639440772 356216384 /nfs/dbraw/zinc/21/63/84/356216384.db2.gz GLFUWJTUYOIOSU-CYBMUJFWSA-N 1 2 237.730 3.066 20 0 BGADLO CC(=O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000639440773 356217131 /nfs/dbraw/zinc/21/71/31/356217131.db2.gz GLFUWJTUYOIOSU-ZDUSSCGKSA-N 1 2 237.730 3.066 20 0 BGADLO CC(=O)C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000639440773 356217128 /nfs/dbraw/zinc/21/71/28/356217128.db2.gz GLFUWJTUYOIOSU-ZDUSSCGKSA-N 1 2 237.730 3.066 20 0 BGADLO CC(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000639452839 356236209 /nfs/dbraw/zinc/23/62/09/356236209.db2.gz CTXGOVUNJMASFG-UHFFFAOYSA-N 1 2 246.137 3.014 20 0 BGADLO CC(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000639452839 356236206 /nfs/dbraw/zinc/23/62/06/356236206.db2.gz CTXGOVUNJMASFG-UHFFFAOYSA-N 1 2 246.137 3.014 20 0 BGADLO CC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000639455243 356240360 /nfs/dbraw/zinc/24/03/60/356240360.db2.gz MVGJPONGKRXBSA-CYBMUJFWSA-N 1 2 237.730 3.066 20 0 BGADLO CC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000639455243 356240357 /nfs/dbraw/zinc/24/03/57/356240357.db2.gz MVGJPONGKRXBSA-CYBMUJFWSA-N 1 2 237.730 3.066 20 0 BGADLO CC(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000639455244 356240724 /nfs/dbraw/zinc/24/07/24/356240724.db2.gz MVGJPONGKRXBSA-ZDUSSCGKSA-N 1 2 237.730 3.066 20 0 BGADLO CC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000639455244 356240722 /nfs/dbraw/zinc/24/07/22/356240722.db2.gz MVGJPONGKRXBSA-ZDUSSCGKSA-N 1 2 237.730 3.066 20 0 BGADLO CCC(F)(F)C[NH+]1CCC(OCC(C)C)CC1 ZINC000639457665 356242975 /nfs/dbraw/zinc/24/29/75/356242975.db2.gz LTDXHZLEHRVTGF-UHFFFAOYSA-N 1 2 249.345 3.169 20 0 BGADLO CCCC[N@@H+](CC(C)=O)Cc1ccccc1F ZINC000639466166 356252479 /nfs/dbraw/zinc/25/24/79/356252479.db2.gz WLDNEGXJANUICF-UHFFFAOYSA-N 1 2 237.318 3.017 20 0 BGADLO CCCC[N@H+](CC(C)=O)Cc1ccccc1F ZINC000639466166 356252477 /nfs/dbraw/zinc/25/24/77/356252477.db2.gz WLDNEGXJANUICF-UHFFFAOYSA-N 1 2 237.318 3.017 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000639486210 356300947 /nfs/dbraw/zinc/30/09/47/356300947.db2.gz YTOMRYLQKGMUFP-JTQLQIEISA-N 1 2 229.270 3.114 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000639486210 356300945 /nfs/dbraw/zinc/30/09/45/356300945.db2.gz YTOMRYLQKGMUFP-JTQLQIEISA-N 1 2 229.270 3.114 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000639486211 356301212 /nfs/dbraw/zinc/30/12/12/356301212.db2.gz YTOMRYLQKGMUFP-SNVBAGLBSA-N 1 2 229.270 3.114 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000639486211 356301209 /nfs/dbraw/zinc/30/12/09/356301209.db2.gz YTOMRYLQKGMUFP-SNVBAGLBSA-N 1 2 229.270 3.114 20 0 BGADLO Cc1cc(C)c(CN(C)CC(F)(F)F)c(C)[nH+]1 ZINC000639487554 356303902 /nfs/dbraw/zinc/30/39/02/356303902.db2.gz NZMKLAHDKLIUGW-UHFFFAOYSA-N 1 2 246.276 3.001 20 0 BGADLO CCC(F)(F)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000639502891 387127894 /nfs/dbraw/zinc/12/78/94/387127894.db2.gz DSDLFTQOUJYZOT-UHFFFAOYSA-N 1 2 245.235 3.306 20 0 BGADLO CCC(F)(F)C[N@@H+](C)CCc1cccs1 ZINC000639507422 356334948 /nfs/dbraw/zinc/33/49/48/356334948.db2.gz UWPAGNAHXSIUFM-UHFFFAOYSA-N 1 2 233.327 3.268 20 0 BGADLO CCC(F)(F)C[N@H+](C)CCc1cccs1 ZINC000639507422 356334945 /nfs/dbraw/zinc/33/49/45/356334945.db2.gz UWPAGNAHXSIUFM-UHFFFAOYSA-N 1 2 233.327 3.268 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000639510589 356343303 /nfs/dbraw/zinc/34/33/03/356343303.db2.gz FLJPQTPLJGSSLY-GFCCVEGCSA-N 1 2 225.282 3.479 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000639510589 356343299 /nfs/dbraw/zinc/34/32/99/356343299.db2.gz FLJPQTPLJGSSLY-GFCCVEGCSA-N 1 2 225.282 3.479 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000639510590 356343717 /nfs/dbraw/zinc/34/37/17/356343717.db2.gz FLJPQTPLJGSSLY-LBPRGKRZSA-N 1 2 225.282 3.479 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000639510590 356343714 /nfs/dbraw/zinc/34/37/14/356343714.db2.gz FLJPQTPLJGSSLY-LBPRGKRZSA-N 1 2 225.282 3.479 20 0 BGADLO CCC(F)(F)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000639515828 356352638 /nfs/dbraw/zinc/35/26/38/356352638.db2.gz CDJFSMMEGDNVHH-UHFFFAOYSA-N 1 2 249.345 3.311 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000639516003 356352966 /nfs/dbraw/zinc/35/29/66/356352966.db2.gz XBISOXDYCXUBLP-GFCCVEGCSA-N 1 2 240.297 3.264 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000639516003 356352962 /nfs/dbraw/zinc/35/29/62/356352962.db2.gz XBISOXDYCXUBLP-GFCCVEGCSA-N 1 2 240.297 3.264 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000639516012 356352951 /nfs/dbraw/zinc/35/29/51/356352951.db2.gz XBISOXDYCXUBLP-LBPRGKRZSA-N 1 2 240.297 3.264 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000639516012 356352947 /nfs/dbraw/zinc/35/29/47/356352947.db2.gz XBISOXDYCXUBLP-LBPRGKRZSA-N 1 2 240.297 3.264 20 0 BGADLO CCC(F)(F)C[NH+]1CCC(C(F)F)CC1 ZINC000639518147 356360833 /nfs/dbraw/zinc/36/08/33/356360833.db2.gz AADJWXNVCGHBGU-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000639520711 387243573 /nfs/dbraw/zinc/24/35/73/387243573.db2.gz XZUQVLZTZRYNJA-GFCCVEGCSA-N 1 2 242.313 3.207 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000639520711 387243571 /nfs/dbraw/zinc/24/35/71/387243571.db2.gz XZUQVLZTZRYNJA-GFCCVEGCSA-N 1 2 242.313 3.207 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000639520712 387243296 /nfs/dbraw/zinc/24/32/96/387243296.db2.gz XZUQVLZTZRYNJA-LBPRGKRZSA-N 1 2 242.313 3.207 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000639520712 387243292 /nfs/dbraw/zinc/24/32/92/387243292.db2.gz XZUQVLZTZRYNJA-LBPRGKRZSA-N 1 2 242.313 3.207 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000639523137 356369791 /nfs/dbraw/zinc/36/97/91/356369791.db2.gz VVEABKJYKYIOOK-LLVKDONJSA-N 1 2 228.286 3.197 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000639523137 356369788 /nfs/dbraw/zinc/36/97/88/356369788.db2.gz VVEABKJYKYIOOK-LLVKDONJSA-N 1 2 228.286 3.197 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000639523138 356369635 /nfs/dbraw/zinc/36/96/35/356369635.db2.gz VVEABKJYKYIOOK-NSHDSACASA-N 1 2 228.286 3.197 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000639523138 356369633 /nfs/dbraw/zinc/36/96/33/356369633.db2.gz VVEABKJYKYIOOK-NSHDSACASA-N 1 2 228.286 3.197 20 0 BGADLO CC(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000639537832 356389989 /nfs/dbraw/zinc/38/99/89/356389989.db2.gz BDABKALCQDFEEN-UHFFFAOYSA-N 1 2 249.741 3.018 20 0 BGADLO CC(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000639537832 356389987 /nfs/dbraw/zinc/38/99/87/356389987.db2.gz BDABKALCQDFEEN-UHFFFAOYSA-N 1 2 249.741 3.018 20 0 BGADLO CC[N@@H+](CCc1nccs1)CC(F)(F)CC ZINC000639547270 356411121 /nfs/dbraw/zinc/41/11/21/356411121.db2.gz RKUYWLYAWCVROJ-UHFFFAOYSA-N 1 2 248.342 3.053 20 0 BGADLO CC[N@H+](CCc1nccs1)CC(F)(F)CC ZINC000639547270 356411119 /nfs/dbraw/zinc/41/11/19/356411119.db2.gz RKUYWLYAWCVROJ-UHFFFAOYSA-N 1 2 248.342 3.053 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000639548294 356411678 /nfs/dbraw/zinc/41/16/78/356411678.db2.gz GSDPOCBNJDICSW-GFCCVEGCSA-N 1 2 240.297 3.264 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000639548294 356411674 /nfs/dbraw/zinc/41/16/74/356411674.db2.gz GSDPOCBNJDICSW-GFCCVEGCSA-N 1 2 240.297 3.264 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000639548295 356411504 /nfs/dbraw/zinc/41/15/04/356411504.db2.gz GSDPOCBNJDICSW-LBPRGKRZSA-N 1 2 240.297 3.264 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000639548295 356411500 /nfs/dbraw/zinc/41/15/00/356411500.db2.gz GSDPOCBNJDICSW-LBPRGKRZSA-N 1 2 240.297 3.264 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000639549296 356414641 /nfs/dbraw/zinc/41/46/41/356414641.db2.gz OKCAOJVSHOMXGQ-GFCCVEGCSA-N 1 2 240.297 3.264 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000639549296 356414639 /nfs/dbraw/zinc/41/46/39/356414639.db2.gz OKCAOJVSHOMXGQ-GFCCVEGCSA-N 1 2 240.297 3.264 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000639549297 356414671 /nfs/dbraw/zinc/41/46/71/356414671.db2.gz OKCAOJVSHOMXGQ-LBPRGKRZSA-N 1 2 240.297 3.264 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000639549297 356414669 /nfs/dbraw/zinc/41/46/69/356414669.db2.gz OKCAOJVSHOMXGQ-LBPRGKRZSA-N 1 2 240.297 3.264 20 0 BGADLO CC(=O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000639558158 356459867 /nfs/dbraw/zinc/45/98/67/356459867.db2.gz XEEMAXIFMAIISX-UHFFFAOYSA-N 1 2 249.741 3.018 20 0 BGADLO CC(=O)C[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000639558158 356459863 /nfs/dbraw/zinc/45/98/63/356459863.db2.gz XEEMAXIFMAIISX-UHFFFAOYSA-N 1 2 249.741 3.018 20 0 BGADLO Cc1cc(C)c(C[N@H+]2CCC=C(F)C2)c(C)n1 ZINC000639558746 356465066 /nfs/dbraw/zinc/46/50/66/356465066.db2.gz IFEHYMOWRYDHHT-UHFFFAOYSA-N 1 2 234.318 3.066 20 0 BGADLO Cc1cc(C)c(C[N@@H+]2CCC=C(F)C2)c(C)n1 ZINC000639558746 356465064 /nfs/dbraw/zinc/46/50/64/356465064.db2.gz IFEHYMOWRYDHHT-UHFFFAOYSA-N 1 2 234.318 3.066 20 0 BGADLO CCC(F)(F)C[NH2+]C1(c2ccccc2)CC1 ZINC000639577483 356498750 /nfs/dbraw/zinc/49/87/50/356498750.db2.gz JDXJDIRFEYPMHA-UHFFFAOYSA-N 1 2 225.282 3.311 20 0 BGADLO CCC(F)(F)C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000639578613 356499946 /nfs/dbraw/zinc/49/99/46/356499946.db2.gz YLVQZTKEUCMGMJ-SECBINFHSA-N 1 2 248.342 3.224 20 0 BGADLO CCC(F)(F)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000639578613 356499944 /nfs/dbraw/zinc/49/99/44/356499944.db2.gz YLVQZTKEUCMGMJ-SECBINFHSA-N 1 2 248.342 3.224 20 0 BGADLO CCC(F)(F)C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000639578614 356499854 /nfs/dbraw/zinc/49/98/54/356499854.db2.gz YLVQZTKEUCMGMJ-VIFPVBQESA-N 1 2 248.342 3.224 20 0 BGADLO CCC(F)(F)C[N@H+](C)C[C@H](C)c1nccs1 ZINC000639578614 356499853 /nfs/dbraw/zinc/49/98/53/356499853.db2.gz YLVQZTKEUCMGMJ-VIFPVBQESA-N 1 2 248.342 3.224 20 0 BGADLO CC[C@H]([NH2+]CC(F)(F)CC)c1c(C)noc1C ZINC000639581857 356503162 /nfs/dbraw/zinc/50/31/62/356503162.db2.gz ZUFIYIGXXJDDPD-JTQLQIEISA-N 1 2 246.301 3.377 20 0 BGADLO CC[C@@H]([NH2+]CC(F)(F)CC)c1c(C)noc1C ZINC000639581858 356503133 /nfs/dbraw/zinc/50/31/33/356503133.db2.gz ZUFIYIGXXJDDPD-SNVBAGLBSA-N 1 2 246.301 3.377 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000639583063 356506224 /nfs/dbraw/zinc/50/62/24/356506224.db2.gz KBEQYRDQGAWLOT-GFCCVEGCSA-N 1 2 240.297 3.168 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000639583064 356506181 /nfs/dbraw/zinc/50/61/81/356506181.db2.gz KBEQYRDQGAWLOT-LBPRGKRZSA-N 1 2 240.297 3.168 20 0 BGADLO CCc1cnccc1[C@H](C)[NH2+]CC(F)(F)CC ZINC000639584106 356506977 /nfs/dbraw/zinc/50/69/77/356506977.db2.gz PLPNFQDMMPDNMK-JTQLQIEISA-N 1 2 242.313 3.340 20 0 BGADLO CCc1cnccc1[C@@H](C)[NH2+]CC(F)(F)CC ZINC000639584111 356506868 /nfs/dbraw/zinc/50/68/68/356506868.db2.gz PLPNFQDMMPDNMK-SNVBAGLBSA-N 1 2 242.313 3.340 20 0 BGADLO CCC(F)(F)C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000639585879 356504006 /nfs/dbraw/zinc/50/40/06/356504006.db2.gz WQONVKQMEFDXSL-UHFFFAOYSA-N 1 2 242.313 3.260 20 0 BGADLO CC(=O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000639618727 356536247 /nfs/dbraw/zinc/53/62/47/356536247.db2.gz COVJUFOEISBCKD-UHFFFAOYSA-N 1 2 249.741 3.018 20 0 BGADLO CC(=O)C[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000639618727 356536246 /nfs/dbraw/zinc/53/62/46/356536246.db2.gz COVJUFOEISBCKD-UHFFFAOYSA-N 1 2 249.741 3.018 20 0 BGADLO CC1=C(C)C[N@@H+](CC(=O)c2ccccc2F)CC1 ZINC000639619463 356536749 /nfs/dbraw/zinc/53/67/49/356536749.db2.gz DLCPQARZYVCWOV-UHFFFAOYSA-N 1 2 247.313 3.051 20 0 BGADLO CC1=C(C)C[N@H+](CC(=O)c2ccccc2F)CC1 ZINC000639619463 356536745 /nfs/dbraw/zinc/53/67/45/356536745.db2.gz DLCPQARZYVCWOV-UHFFFAOYSA-N 1 2 247.313 3.051 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000639623600 356543702 /nfs/dbraw/zinc/54/37/02/356543702.db2.gz ZHSSRVYBRMJAEB-HTQZYQBOSA-N 1 2 245.235 3.304 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000639623600 356543699 /nfs/dbraw/zinc/54/36/99/356543699.db2.gz ZHSSRVYBRMJAEB-HTQZYQBOSA-N 1 2 245.235 3.304 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000639623601 356542973 /nfs/dbraw/zinc/54/29/73/356542973.db2.gz ZHSSRVYBRMJAEB-JGVFFNPUSA-N 1 2 245.235 3.304 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000639623601 356542972 /nfs/dbraw/zinc/54/29/72/356542972.db2.gz ZHSSRVYBRMJAEB-JGVFFNPUSA-N 1 2 245.235 3.304 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000639623602 356543417 /nfs/dbraw/zinc/54/34/17/356543417.db2.gz ZHSSRVYBRMJAEB-SFYZADRCSA-N 1 2 245.235 3.304 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000639623602 356543412 /nfs/dbraw/zinc/54/34/12/356543412.db2.gz ZHSSRVYBRMJAEB-SFYZADRCSA-N 1 2 245.235 3.304 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000639623607 356542967 /nfs/dbraw/zinc/54/29/67/356542967.db2.gz ZHSSRVYBRMJAEB-YUMQZZPRSA-N 1 2 245.235 3.304 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000639623607 356542965 /nfs/dbraw/zinc/54/29/65/356542965.db2.gz ZHSSRVYBRMJAEB-YUMQZZPRSA-N 1 2 245.235 3.304 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000639632504 356546956 /nfs/dbraw/zinc/54/69/56/356546956.db2.gz YJTICZNCDJVQEG-MRVPVSSYSA-N 1 2 245.235 3.306 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000639632504 356546952 /nfs/dbraw/zinc/54/69/52/356546952.db2.gz YJTICZNCDJVQEG-MRVPVSSYSA-N 1 2 245.235 3.306 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000639632505 356547067 /nfs/dbraw/zinc/54/70/67/356547067.db2.gz YJTICZNCDJVQEG-QMMMGPOBSA-N 1 2 245.235 3.306 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000639632505 356547064 /nfs/dbraw/zinc/54/70/64/356547064.db2.gz YJTICZNCDJVQEG-QMMMGPOBSA-N 1 2 245.235 3.306 20 0 BGADLO CCC(F)(F)C[NH2+]C(C)(C)c1c(C)noc1C ZINC000639644147 356557866 /nfs/dbraw/zinc/55/78/66/356557866.db2.gz MYLMYLSXDJFPDN-UHFFFAOYSA-N 1 2 246.301 3.161 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000639645513 356558792 /nfs/dbraw/zinc/55/87/92/356558792.db2.gz IIPHVIIRSBGYRK-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000639645513 356558788 /nfs/dbraw/zinc/55/87/88/356558788.db2.gz IIPHVIIRSBGYRK-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000639645515 356558722 /nfs/dbraw/zinc/55/87/22/356558722.db2.gz IIPHVIIRSBGYRK-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000639645515 356558719 /nfs/dbraw/zinc/55/87/19/356558719.db2.gz IIPHVIIRSBGYRK-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO CCC(F)(F)C[NH+]1CCC(OC2CCC2)CC1 ZINC000639671714 356588290 /nfs/dbraw/zinc/58/82/90/356588290.db2.gz BZWFYQDRXVPSFR-UHFFFAOYSA-N 1 2 247.329 3.065 20 0 BGADLO C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)c1ccccc1F ZINC000639678194 356594541 /nfs/dbraw/zinc/59/45/41/356594541.db2.gz WQCUPLZHRNMLTP-LLVKDONJSA-N 1 2 249.329 3.129 20 0 BGADLO C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)c1ccccc1F ZINC000639678194 356594538 /nfs/dbraw/zinc/59/45/38/356594538.db2.gz WQCUPLZHRNMLTP-LLVKDONJSA-N 1 2 249.329 3.129 20 0 BGADLO C[C@H]1CC(C)(C)C[N@H+]1CC(=O)c1ccccc1F ZINC000639678195 356594346 /nfs/dbraw/zinc/59/43/46/356594346.db2.gz WQCUPLZHRNMLTP-NSHDSACASA-N 1 2 249.329 3.129 20 0 BGADLO C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)c1ccccc1F ZINC000639678195 356594341 /nfs/dbraw/zinc/59/43/41/356594341.db2.gz WQCUPLZHRNMLTP-NSHDSACASA-N 1 2 249.329 3.129 20 0 BGADLO O=C(C[N@H+]1CCC12CCCC2)c1ccccc1F ZINC000639720914 356618184 /nfs/dbraw/zinc/61/81/84/356618184.db2.gz YXFJZOJDJZQGCO-UHFFFAOYSA-N 1 2 247.313 3.027 20 0 BGADLO O=C(C[N@@H+]1CCC12CCCC2)c1ccccc1F ZINC000639720914 356618181 /nfs/dbraw/zinc/61/81/81/356618181.db2.gz YXFJZOJDJZQGCO-UHFFFAOYSA-N 1 2 247.313 3.027 20 0 BGADLO COc1cc(C)[nH+]c(CN(C)c2ccsc2)c1 ZINC000639736322 356629644 /nfs/dbraw/zinc/62/96/44/356629644.db2.gz ODDHKRFOFMECNS-UHFFFAOYSA-N 1 2 248.351 3.097 20 0 BGADLO Cc1ccc(CN(C)c2ccsc2)c(C)[nH+]1 ZINC000639736531 356629767 /nfs/dbraw/zinc/62/97/67/356629767.db2.gz SZHXWJVCOZKSJJ-UHFFFAOYSA-N 1 2 232.352 3.396 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000639747591 356641383 /nfs/dbraw/zinc/64/13/83/356641383.db2.gz CYQLDSJZTQQZQR-GFCCVEGCSA-N 1 2 247.329 3.065 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000639747591 356641382 /nfs/dbraw/zinc/64/13/82/356641382.db2.gz CYQLDSJZTQQZQR-GFCCVEGCSA-N 1 2 247.329 3.065 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000639747592 356641061 /nfs/dbraw/zinc/64/10/61/356641061.db2.gz CYQLDSJZTQQZQR-LBPRGKRZSA-N 1 2 247.329 3.065 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000639747592 356641060 /nfs/dbraw/zinc/64/10/60/356641060.db2.gz CYQLDSJZTQQZQR-LBPRGKRZSA-N 1 2 247.329 3.065 20 0 BGADLO Fc1ccc([C@H]2CC[N@H+]2Cc2ccns2)cc1 ZINC000639799435 356760973 /nfs/dbraw/zinc/76/09/73/356760973.db2.gz CVTQGDQVDPXLJF-CYBMUJFWSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1ccc([C@H]2CC[N@@H+]2Cc2ccns2)cc1 ZINC000639799435 356760971 /nfs/dbraw/zinc/76/09/71/356760971.db2.gz CVTQGDQVDPXLJF-CYBMUJFWSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1ccc([C@@H]2CC[N@H+]2Cc2ccns2)cc1 ZINC000639799436 356761147 /nfs/dbraw/zinc/76/11/47/356761147.db2.gz CVTQGDQVDPXLJF-ZDUSSCGKSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1ccc([C@@H]2CC[N@@H+]2Cc2ccns2)cc1 ZINC000639799436 356761145 /nfs/dbraw/zinc/76/11/45/356761145.db2.gz CVTQGDQVDPXLJF-ZDUSSCGKSA-N 1 2 248.326 3.229 20 0 BGADLO CCC(F)(F)C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000639886032 357169712 /nfs/dbraw/zinc/16/97/12/357169712.db2.gz DEKWYDPLOZUJCS-DTORHVGOSA-N 1 2 241.272 3.255 20 0 BGADLO CCC(F)(F)C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000639886032 357169707 /nfs/dbraw/zinc/16/97/07/357169707.db2.gz DEKWYDPLOZUJCS-DTORHVGOSA-N 1 2 241.272 3.255 20 0 BGADLO CCC(F)(F)C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000639886033 357169622 /nfs/dbraw/zinc/16/96/22/357169622.db2.gz DEKWYDPLOZUJCS-IUCAKERBSA-N 1 2 241.272 3.255 20 0 BGADLO CCC(F)(F)C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000639886147 357169835 /nfs/dbraw/zinc/16/98/35/357169835.db2.gz DEKWYDPLOZUJCS-RKDXNWHRSA-N 1 2 241.272 3.255 20 0 BGADLO CCC(F)(F)C[N@H+]1CCCC(F)(F)CC1 ZINC000639889375 357199215 /nfs/dbraw/zinc/19/92/15/357199215.db2.gz DHKUHFBUZWRPNN-UHFFFAOYSA-N 1 2 227.245 3.153 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCCC(F)(F)CC1 ZINC000639889375 357199213 /nfs/dbraw/zinc/19/92/13/357199213.db2.gz DHKUHFBUZWRPNN-UHFFFAOYSA-N 1 2 227.245 3.153 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000639893504 357227056 /nfs/dbraw/zinc/22/70/56/357227056.db2.gz GPKPSBJBAXNTAV-MRVPVSSYSA-N 1 2 227.245 3.151 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000639893504 357227052 /nfs/dbraw/zinc/22/70/52/357227052.db2.gz GPKPSBJBAXNTAV-MRVPVSSYSA-N 1 2 227.245 3.151 20 0 BGADLO CCC(F)(F)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000639893511 357227437 /nfs/dbraw/zinc/22/74/37/357227437.db2.gz GPKPSBJBAXNTAV-QMMMGPOBSA-N 1 2 227.245 3.151 20 0 BGADLO CCC(F)(F)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000639893511 357227432 /nfs/dbraw/zinc/22/74/32/357227432.db2.gz GPKPSBJBAXNTAV-QMMMGPOBSA-N 1 2 227.245 3.151 20 0 BGADLO CC1(C)C[N@@H+](Cc2cccnc2)[C@H]1c1ccco1 ZINC000639925472 357826738 /nfs/dbraw/zinc/82/67/38/357826738.db2.gz AATUHPYMMUCBCC-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2cccnc2)[C@H]1c1ccco1 ZINC000639925472 357826735 /nfs/dbraw/zinc/82/67/35/357826735.db2.gz AATUHPYMMUCBCC-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@@H+](Cc2cccnc2)[C@@H]1c1ccco1 ZINC000639925478 357826870 /nfs/dbraw/zinc/82/68/70/357826870.db2.gz AATUHPYMMUCBCC-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2cccnc2)[C@@H]1c1ccco1 ZINC000639925478 357826865 /nfs/dbraw/zinc/82/68/65/357826865.db2.gz AATUHPYMMUCBCC-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccncc2)[C@H]1c1ccco1 ZINC000639925742 357829722 /nfs/dbraw/zinc/82/97/22/357829722.db2.gz DAYKCRUMCDKONE-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccncc2)[C@H]1c1ccco1 ZINC000639925742 357829718 /nfs/dbraw/zinc/82/97/18/357829718.db2.gz DAYKCRUMCDKONE-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccncc2)[C@@H]1c1ccco1 ZINC000639925743 357830290 /nfs/dbraw/zinc/83/02/90/357830290.db2.gz DAYKCRUMCDKONE-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccncc2)[C@@H]1c1ccco1 ZINC000639925743 357830287 /nfs/dbraw/zinc/83/02/87/357830287.db2.gz DAYKCRUMCDKONE-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccccn2)[C@H]1c1ccco1 ZINC000639925950 357829685 /nfs/dbraw/zinc/82/96/85/357829685.db2.gz GKPIFHXASWZSOV-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccccn2)[C@H]1c1ccco1 ZINC000639925950 357829682 /nfs/dbraw/zinc/82/96/82/357829682.db2.gz GKPIFHXASWZSOV-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccccn2)[C@@H]1c1ccco1 ZINC000639925951 357829517 /nfs/dbraw/zinc/82/95/17/357829517.db2.gz GKPIFHXASWZSOV-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccccn2)[C@@H]1c1ccco1 ZINC000639925951 357829515 /nfs/dbraw/zinc/82/95/15/357829515.db2.gz GKPIFHXASWZSOV-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccns2)[C@@H]1c1ccco1 ZINC000639926698 357848482 /nfs/dbraw/zinc/84/84/82/357848482.db2.gz AVZQVJSOANVNTB-GFCCVEGCSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@H+](Cc2ccns2)[C@@H]1c1ccco1 ZINC000639926698 357848480 /nfs/dbraw/zinc/84/84/80/357848480.db2.gz AVZQVJSOANVNTB-GFCCVEGCSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccns2)[C@H]1c1ccco1 ZINC000639926700 357848378 /nfs/dbraw/zinc/84/83/78/357848378.db2.gz AVZQVJSOANVNTB-LBPRGKRZSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@H+](Cc2ccns2)[C@H]1c1ccco1 ZINC000639926700 357848373 /nfs/dbraw/zinc/84/83/73/357848373.db2.gz AVZQVJSOANVNTB-LBPRGKRZSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@@H+](Cc2cncs2)[C@@H]1c1ccco1 ZINC000639927199 357860443 /nfs/dbraw/zinc/86/04/43/357860443.db2.gz DIQUILDBBHXTIH-GFCCVEGCSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@H+](Cc2cncs2)[C@@H]1c1ccco1 ZINC000639927199 357860440 /nfs/dbraw/zinc/86/04/40/357860440.db2.gz DIQUILDBBHXTIH-GFCCVEGCSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@@H+](Cc2cncs2)[C@H]1c1ccco1 ZINC000639927201 357860152 /nfs/dbraw/zinc/86/01/52/357860152.db2.gz DIQUILDBBHXTIH-LBPRGKRZSA-N 1 2 248.351 3.319 20 0 BGADLO CC1(C)C[N@H+](Cc2cncs2)[C@H]1c1ccco1 ZINC000639927201 357860149 /nfs/dbraw/zinc/86/01/49/357860149.db2.gz DIQUILDBBHXTIH-LBPRGKRZSA-N 1 2 248.351 3.319 20 0 BGADLO CC[C@@](C)([NH2+]CC(F)F)c1ccc(F)cc1 ZINC000639927750 357864249 /nfs/dbraw/zinc/86/42/49/357864249.db2.gz HNEWSUBDDZNURS-GFCCVEGCSA-N 1 2 231.261 3.306 20 0 BGADLO CC[C@](C)([NH2+]CC(F)F)c1ccc(F)cc1 ZINC000639927759 357864329 /nfs/dbraw/zinc/86/43/29/357864329.db2.gz HNEWSUBDDZNURS-LBPRGKRZSA-N 1 2 231.261 3.306 20 0 BGADLO Cc1cc(C[N@H+]2CC(C)(C)[C@H]2c2ccco2)on1 ZINC000639927969 357867023 /nfs/dbraw/zinc/86/70/23/357867023.db2.gz UYEQULVBDRWHKW-CYBMUJFWSA-N 1 2 246.310 3.159 20 0 BGADLO Cc1cc(C[N@@H+]2CC(C)(C)[C@H]2c2ccco2)on1 ZINC000639927969 357867019 /nfs/dbraw/zinc/86/70/19/357867019.db2.gz UYEQULVBDRWHKW-CYBMUJFWSA-N 1 2 246.310 3.159 20 0 BGADLO Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2c2ccco2)on1 ZINC000639927970 357867114 /nfs/dbraw/zinc/86/71/14/357867114.db2.gz UYEQULVBDRWHKW-ZDUSSCGKSA-N 1 2 246.310 3.159 20 0 BGADLO Cc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccco2)on1 ZINC000639927970 357867113 /nfs/dbraw/zinc/86/71/13/357867113.db2.gz UYEQULVBDRWHKW-ZDUSSCGKSA-N 1 2 246.310 3.159 20 0 BGADLO Cc1nocc1C[N@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639928848 357873917 /nfs/dbraw/zinc/87/39/17/357873917.db2.gz IWVXMHBDTVATKW-CYBMUJFWSA-N 1 2 246.310 3.159 20 0 BGADLO Cc1nocc1C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639928848 357873912 /nfs/dbraw/zinc/87/39/12/357873912.db2.gz IWVXMHBDTVATKW-CYBMUJFWSA-N 1 2 246.310 3.159 20 0 BGADLO Cc1nocc1C[N@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639928849 357873868 /nfs/dbraw/zinc/87/38/68/357873868.db2.gz IWVXMHBDTVATKW-ZDUSSCGKSA-N 1 2 246.310 3.159 20 0 BGADLO Cc1nocc1C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639928849 357873863 /nfs/dbraw/zinc/87/38/63/357873863.db2.gz IWVXMHBDTVATKW-ZDUSSCGKSA-N 1 2 246.310 3.159 20 0 BGADLO C[C@H](O)CCC[N@H+](c1ccccc1)[C@@H](C)C1CC1 ZINC000639953473 357975525 /nfs/dbraw/zinc/97/55/25/357975525.db2.gz HGEOWRSLQMPJOO-KBPBESRZSA-N 1 2 247.382 3.453 20 0 BGADLO C[C@H](O)CCC[N@@H+](c1ccccc1)[C@@H](C)C1CC1 ZINC000639953473 357975524 /nfs/dbraw/zinc/97/55/24/357975524.db2.gz HGEOWRSLQMPJOO-KBPBESRZSA-N 1 2 247.382 3.453 20 0 BGADLO C[C@@H](O)CCC[N@H+](c1ccccc1)[C@@H](C)C1CC1 ZINC000639953474 357975905 /nfs/dbraw/zinc/97/59/05/357975905.db2.gz HGEOWRSLQMPJOO-KGLIPLIRSA-N 1 2 247.382 3.453 20 0 BGADLO C[C@@H](O)CCC[N@@H+](c1ccccc1)[C@@H](C)C1CC1 ZINC000639953474 357975902 /nfs/dbraw/zinc/97/59/02/357975902.db2.gz HGEOWRSLQMPJOO-KGLIPLIRSA-N 1 2 247.382 3.453 20 0 BGADLO C[C@H](C1CC1)[N@H+](CCC[C@H](C)O)c1ccccc1 ZINC000639953476 357975622 /nfs/dbraw/zinc/97/56/22/357975622.db2.gz HGEOWRSLQMPJOO-UONOGXRCSA-N 1 2 247.382 3.453 20 0 BGADLO C[C@H](C1CC1)[N@@H+](CCC[C@H](C)O)c1ccccc1 ZINC000639953476 357975618 /nfs/dbraw/zinc/97/56/18/357975618.db2.gz HGEOWRSLQMPJOO-UONOGXRCSA-N 1 2 247.382 3.453 20 0 BGADLO C[C@@H](O)CCC[N@H+](c1ccccc1)[C@H](C)C1CC1 ZINC000639953478 357975540 /nfs/dbraw/zinc/97/55/40/357975540.db2.gz HGEOWRSLQMPJOO-ZIAGYGMSSA-N 1 2 247.382 3.453 20 0 BGADLO C[C@@H](O)CCC[N@@H+](c1ccccc1)[C@H](C)C1CC1 ZINC000639953478 357975535 /nfs/dbraw/zinc/97/55/35/357975535.db2.gz HGEOWRSLQMPJOO-ZIAGYGMSSA-N 1 2 247.382 3.453 20 0 BGADLO C[C@@H](C1CC1)[N@@H+](C[C@@H]1CCOC1)c1ccccc1 ZINC000639957832 357982229 /nfs/dbraw/zinc/98/22/29/357982229.db2.gz RQRIGSZGRFXPPX-KBPBESRZSA-N 1 2 245.366 3.328 20 0 BGADLO C[C@@H](C1CC1)[N@H+](C[C@@H]1CCOC1)c1ccccc1 ZINC000639957832 357982227 /nfs/dbraw/zinc/98/22/27/357982227.db2.gz RQRIGSZGRFXPPX-KBPBESRZSA-N 1 2 245.366 3.328 20 0 BGADLO C[C@H](C1CC1)[N@@H+](C[C@@H]1CCOC1)c1ccccc1 ZINC000639957833 357981841 /nfs/dbraw/zinc/98/18/41/357981841.db2.gz RQRIGSZGRFXPPX-KGLIPLIRSA-N 1 2 245.366 3.328 20 0 BGADLO C[C@H](C1CC1)[N@H+](C[C@@H]1CCOC1)c1ccccc1 ZINC000639957833 357981838 /nfs/dbraw/zinc/98/18/38/357981838.db2.gz RQRIGSZGRFXPPX-KGLIPLIRSA-N 1 2 245.366 3.328 20 0 BGADLO C[C@@H](C1CC1)[N@@H+](C[C@H]1CCOC1)c1ccccc1 ZINC000639957834 357982020 /nfs/dbraw/zinc/98/20/20/357982020.db2.gz RQRIGSZGRFXPPX-UONOGXRCSA-N 1 2 245.366 3.328 20 0 BGADLO C[C@@H](C1CC1)[N@H+](C[C@H]1CCOC1)c1ccccc1 ZINC000639957834 357982017 /nfs/dbraw/zinc/98/20/17/357982017.db2.gz RQRIGSZGRFXPPX-UONOGXRCSA-N 1 2 245.366 3.328 20 0 BGADLO C[C@H](C1CC1)[N@@H+](C[C@H]1CCOC1)c1ccccc1 ZINC000639957835 357981788 /nfs/dbraw/zinc/98/17/88/357981788.db2.gz RQRIGSZGRFXPPX-ZIAGYGMSSA-N 1 2 245.366 3.328 20 0 BGADLO C[C@H](C1CC1)[N@H+](C[C@H]1CCOC1)c1ccccc1 ZINC000639957835 357981785 /nfs/dbraw/zinc/98/17/85/357981785.db2.gz RQRIGSZGRFXPPX-ZIAGYGMSSA-N 1 2 245.366 3.328 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC000639970238 358022828 /nfs/dbraw/zinc/02/28/28/358022828.db2.gz LXYYBJLDXFZBPA-CYBMUJFWSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC000639970238 358022827 /nfs/dbraw/zinc/02/28/27/358022827.db2.gz LXYYBJLDXFZBPA-CYBMUJFWSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000639970239 358023347 /nfs/dbraw/zinc/02/33/47/358023347.db2.gz LXYYBJLDXFZBPA-ZDUSSCGKSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000639970239 358023344 /nfs/dbraw/zinc/02/33/44/358023344.db2.gz LXYYBJLDXFZBPA-ZDUSSCGKSA-N 1 2 243.354 3.220 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@H]1C=CCCCCC1 ZINC000639970435 358022703 /nfs/dbraw/zinc/02/27/03/358022703.db2.gz FYPHTAHZOSNGQB-AWEZNQCLSA-N 1 2 233.359 3.039 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@H]1C=CCCCCC1 ZINC000639970435 358022699 /nfs/dbraw/zinc/02/26/99/358022699.db2.gz FYPHTAHZOSNGQB-AWEZNQCLSA-N 1 2 233.359 3.039 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@@H]1C=CCCCCC1 ZINC000639970436 358022505 /nfs/dbraw/zinc/02/25/05/358022505.db2.gz FYPHTAHZOSNGQB-CQSZACIVSA-N 1 2 233.359 3.039 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H]1C=CCCCCC1 ZINC000639970436 358022502 /nfs/dbraw/zinc/02/25/02/358022502.db2.gz FYPHTAHZOSNGQB-CQSZACIVSA-N 1 2 233.359 3.039 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)CCC1=CCCCC1 ZINC000639970772 358024652 /nfs/dbraw/zinc/02/46/52/358024652.db2.gz KCDQSRYHKPRQLJ-UHFFFAOYSA-N 1 2 233.359 3.040 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)CCC1=CCCCC1 ZINC000639970772 358024649 /nfs/dbraw/zinc/02/46/49/358024649.db2.gz KCDQSRYHKPRQLJ-UHFFFAOYSA-N 1 2 233.359 3.040 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)CCCC1CCCC1 ZINC000639971330 358030280 /nfs/dbraw/zinc/03/02/80/358030280.db2.gz ZVBIMMWRKMNVDF-UHFFFAOYSA-N 1 2 235.375 3.120 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)CCCC1CCCC1 ZINC000639971330 358030278 /nfs/dbraw/zinc/03/02/78/358030278.db2.gz ZVBIMMWRKMNVDF-UHFFFAOYSA-N 1 2 235.375 3.120 20 0 BGADLO CCC(F)(F)C[NH+]1CCC(CCF)CC1 ZINC000639989578 358030747 /nfs/dbraw/zinc/03/07/47/358030747.db2.gz AUXRRXFWBVKHGC-UHFFFAOYSA-N 1 2 223.282 3.103 20 0 BGADLO c1ccc([N@@H+](CC2CCOCC2)C2CCC2)cc1 ZINC000639999713 358035654 /nfs/dbraw/zinc/03/56/54/358035654.db2.gz ANHAQXCSTBPDOC-UHFFFAOYSA-N 1 2 245.366 3.472 20 0 BGADLO c1ccc([N@H+](CC2CCOCC2)C2CCC2)cc1 ZINC000639999713 358035649 /nfs/dbraw/zinc/03/56/49/358035649.db2.gz ANHAQXCSTBPDOC-UHFFFAOYSA-N 1 2 245.366 3.472 20 0 BGADLO C[C@@H]1C[C@H](CC(F)(F)F)[C@@H](C)[N@H+]1CC(F)F ZINC000640019779 358080747 /nfs/dbraw/zinc/08/07/47/358080747.db2.gz JNODNSCTLCTKHD-BWZBUEFSSA-N 1 2 245.235 3.303 20 0 BGADLO C[C@@H]1C[C@H](CC(F)(F)F)[C@@H](C)[N@@H+]1CC(F)F ZINC000640019779 358080742 /nfs/dbraw/zinc/08/07/42/358080742.db2.gz JNODNSCTLCTKHD-BWZBUEFSSA-N 1 2 245.235 3.303 20 0 BGADLO C[C@@H]1C[C@@H](CC(F)(F)F)[C@H](C)[N@H+]1CC(F)F ZINC000640019780 358080799 /nfs/dbraw/zinc/08/07/99/358080799.db2.gz JNODNSCTLCTKHD-CSMHCCOUSA-N 1 2 245.235 3.303 20 0 BGADLO C[C@@H]1C[C@@H](CC(F)(F)F)[C@H](C)[N@@H+]1CC(F)F ZINC000640019780 358080797 /nfs/dbraw/zinc/08/07/97/358080797.db2.gz JNODNSCTLCTKHD-CSMHCCOUSA-N 1 2 245.235 3.303 20 0 BGADLO C[C@@H]1C[C@H](CC(F)(F)F)[C@H](C)[N@H+]1CC(F)F ZINC000640019781 358080832 /nfs/dbraw/zinc/08/08/32/358080832.db2.gz JNODNSCTLCTKHD-GJMOJQLCSA-N 1 2 245.235 3.303 20 0 BGADLO C[C@@H]1C[C@H](CC(F)(F)F)[C@H](C)[N@@H+]1CC(F)F ZINC000640019781 358080830 /nfs/dbraw/zinc/08/08/30/358080830.db2.gz JNODNSCTLCTKHD-GJMOJQLCSA-N 1 2 245.235 3.303 20 0 BGADLO C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)[N@H+]1CC(F)F ZINC000640019782 358080604 /nfs/dbraw/zinc/08/06/04/358080604.db2.gz JNODNSCTLCTKHD-PRJMDXOYSA-N 1 2 245.235 3.303 20 0 BGADLO C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)[N@@H+]1CC(F)F ZINC000640019782 358080601 /nfs/dbraw/zinc/08/06/01/358080601.db2.gz JNODNSCTLCTKHD-PRJMDXOYSA-N 1 2 245.235 3.303 20 0 BGADLO CC(C)(C)OCCCC[N@H+]1OC2CCC1CC2 ZINC000640229651 358941211 /nfs/dbraw/zinc/94/12/11/358941211.db2.gz AUFFXSODVHCTLS-UHFFFAOYSA-N 1 2 241.375 3.140 20 0 BGADLO CC(C)(C)OCCCC[N@@H+]1OC2CCC1CC2 ZINC000640229651 358941208 /nfs/dbraw/zinc/94/12/08/358941208.db2.gz AUFFXSODVHCTLS-UHFFFAOYSA-N 1 2 241.375 3.140 20 0 BGADLO FC(F)(F)CCCC[N@H+]1OC2CCC1CC2 ZINC000640229889 387927054 /nfs/dbraw/zinc/92/70/54/387927054.db2.gz DZJZNXBEGFJONV-UHFFFAOYSA-N 1 2 237.265 3.277 20 0 BGADLO FC(F)(F)CCCC[N@@H+]1OC2CCC1CC2 ZINC000640229889 387927050 /nfs/dbraw/zinc/92/70/50/387927050.db2.gz DZJZNXBEGFJONV-UHFFFAOYSA-N 1 2 237.265 3.277 20 0 BGADLO FC1(F)CCC(C[N@H+]2OC3CCC2CC3)CC1 ZINC000640231716 358947905 /nfs/dbraw/zinc/94/79/05/358947905.db2.gz FDERQMZEEMAEGI-UHFFFAOYSA-N 1 2 245.313 3.370 20 0 BGADLO FC1(F)CCC(C[N@@H+]2OC3CCC2CC3)CC1 ZINC000640231716 358947903 /nfs/dbraw/zinc/94/79/03/358947903.db2.gz FDERQMZEEMAEGI-UHFFFAOYSA-N 1 2 245.313 3.370 20 0 BGADLO Cc1cc(C)c(CN2OC3CCC2CC3)c(C)[nH+]1 ZINC000640232143 358952365 /nfs/dbraw/zinc/95/23/65/358952365.db2.gz KSCVXQMBBGHJRA-UHFFFAOYSA-N 1 2 246.354 3.065 20 0 BGADLO CC[C@H](CC(F)F)C[N@H+]1OC2CCC1CC2 ZINC000640232721 358956776 /nfs/dbraw/zinc/95/67/76/358956776.db2.gz SEVNEKBOQPKCLK-KPPDAEKUSA-N 1 2 233.302 3.226 20 0 BGADLO CC[C@H](CC(F)F)C[N@@H+]1OC2CCC1CC2 ZINC000640232721 358956774 /nfs/dbraw/zinc/95/67/74/358956774.db2.gz SEVNEKBOQPKCLK-KPPDAEKUSA-N 1 2 233.302 3.226 20 0 BGADLO CC[C@@H](CC(F)F)C[N@H+]1OC2CCC1CC2 ZINC000640232722 358956865 /nfs/dbraw/zinc/95/68/65/358956865.db2.gz SEVNEKBOQPKCLK-WHXUTIOJSA-N 1 2 233.302 3.226 20 0 BGADLO CC[C@@H](CC(F)F)C[N@@H+]1OC2CCC1CC2 ZINC000640232722 358956862 /nfs/dbraw/zinc/95/68/62/358956862.db2.gz SEVNEKBOQPKCLK-WHXUTIOJSA-N 1 2 233.302 3.226 20 0 BGADLO C[C@@H]1c2ccsc2CCN1c1cc[nH+]cc1F ZINC000641268629 362340198 /nfs/dbraw/zinc/34/01/98/362340198.db2.gz WYHIAWVMQKPYIX-SECBINFHSA-N 1 2 248.326 3.406 20 0 BGADLO C[C@H]1c2ccsc2CCN1c1cc[nH+]cc1F ZINC000641268630 362340372 /nfs/dbraw/zinc/34/03/72/362340372.db2.gz WYHIAWVMQKPYIX-VIFPVBQESA-N 1 2 248.326 3.406 20 0 BGADLO Cc1ccccc1[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641273182 362340275 /nfs/dbraw/zinc/34/02/75/362340275.db2.gz ZQOVLSBDZYFRGP-GFCCVEGCSA-N 1 2 242.322 3.055 20 0 BGADLO Cc1ccc([C@@H](C)Nc2cc(CO)cc[nH+]2)cc1 ZINC000641303247 362352768 /nfs/dbraw/zinc/35/27/68/362352768.db2.gz UZVQOUBRIYWQLB-GFCCVEGCSA-N 1 2 242.322 3.055 20 0 BGADLO Cc1ccc([C@H](C)Nc2cc(CO)cc[nH+]2)cc1 ZINC000641303249 362352062 /nfs/dbraw/zinc/35/20/62/362352062.db2.gz UZVQOUBRIYWQLB-LBPRGKRZSA-N 1 2 242.322 3.055 20 0 BGADLO CC[C@H](Nc1cc(CO)cc[nH+]1)c1ccccc1 ZINC000641316783 362362500 /nfs/dbraw/zinc/36/25/00/362362500.db2.gz RUXWCYCCSAOFTI-AWEZNQCLSA-N 1 2 242.322 3.137 20 0 BGADLO CC[C@@H](Nc1cc(CO)cc[nH+]1)c1ccccc1 ZINC000641316784 362362423 /nfs/dbraw/zinc/36/24/23/362362423.db2.gz RUXWCYCCSAOFTI-CQSZACIVSA-N 1 2 242.322 3.137 20 0 BGADLO Fc1c[nH+]ccc1N1CC[C@@H](c2ccccc2)C1 ZINC000641319941 362364098 /nfs/dbraw/zinc/36/40/98/362364098.db2.gz CHYHVUUDOAKIDB-CYBMUJFWSA-N 1 2 242.297 3.215 20 0 BGADLO Fc1c[nH+]ccc1N1CC[C@H](c2ccccc2)C1 ZINC000641319948 362363517 /nfs/dbraw/zinc/36/35/17/362363517.db2.gz CHYHVUUDOAKIDB-ZDUSSCGKSA-N 1 2 242.297 3.215 20 0 BGADLO Cc1ccc(CN(C)c2cc[nH+]cc2F)s1 ZINC000641337192 362367985 /nfs/dbraw/zinc/36/79/85/362367985.db2.gz AKVANKREVLAOQS-UHFFFAOYSA-N 1 2 236.315 3.227 20 0 BGADLO Fc1c[nH+]ccc1N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000641339430 362370177 /nfs/dbraw/zinc/37/01/77/362370177.db2.gz NVEQJNWCTWAYMY-MPEURRAXSA-N 1 2 246.329 3.236 20 0 BGADLO Fc1c[nH+]ccc1N1CCCc2ccccc2C1 ZINC000641360337 362375600 /nfs/dbraw/zinc/37/56/00/362375600.db2.gz FOOORUPKBGIFAR-UHFFFAOYSA-N 1 2 242.297 3.174 20 0 BGADLO Fc1c[nH+]ccc1N1CCCc2sccc2C1 ZINC000641363623 362377448 /nfs/dbraw/zinc/37/74/48/362377448.db2.gz RPOJLWZEQGCPOK-UHFFFAOYSA-N 1 2 248.326 3.235 20 0 BGADLO Cc1ccc(SCc2cn(C)c[nH+]2)cc1 ZINC000641409227 362400986 /nfs/dbraw/zinc/40/09/86/362400986.db2.gz MVVFMTBRFYLKPP-UHFFFAOYSA-N 1 2 218.325 3.021 20 0 BGADLO Cc1ccc(SCc2cn(C)c[nH+]2)cc1C ZINC000641415026 362402226 /nfs/dbraw/zinc/40/22/26/362402226.db2.gz LUEIKMRWGALXJS-UHFFFAOYSA-N 1 2 232.352 3.329 20 0 BGADLO Cn1c[nH+]c(CSc2ccc3c(c2)CCC3)c1 ZINC000641423557 362407796 /nfs/dbraw/zinc/40/77/96/362407796.db2.gz UDFJNOMXEGSJKQ-UHFFFAOYSA-N 1 2 244.363 3.201 20 0 BGADLO Cc1ccc(SCc2cn(C)c[nH+]2)c(C)c1 ZINC000641438331 362418936 /nfs/dbraw/zinc/41/89/36/362418936.db2.gz NNADAALTTDKAQT-UHFFFAOYSA-N 1 2 232.352 3.329 20 0 BGADLO CCC(F)(F)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000641440639 362419722 /nfs/dbraw/zinc/41/97/22/362419722.db2.gz IWUBPSGIRGCXCU-UHFFFAOYSA-N 1 2 246.207 3.360 20 0 BGADLO C[C@@H]1c2ccccc2CCN1c1cc[nH+]cc1F ZINC000641441158 362421289 /nfs/dbraw/zinc/42/12/89/362421289.db2.gz ORRYVUVNZNUPTN-LLVKDONJSA-N 1 2 242.297 3.344 20 0 BGADLO C[C@H]1c2ccccc2CCN1c1cc[nH+]cc1F ZINC000641441165 362420688 /nfs/dbraw/zinc/42/06/88/362420688.db2.gz ORRYVUVNZNUPTN-NSHDSACASA-N 1 2 242.297 3.344 20 0 BGADLO Cc1ccc(C)c(SCc2cn(C)c[nH+]2)c1 ZINC000641444775 362423321 /nfs/dbraw/zinc/42/33/21/362423321.db2.gz UQWBOXVURWMUOO-UHFFFAOYSA-N 1 2 232.352 3.329 20 0 BGADLO Cc1ccccc1SCc1cn(C)c[nH+]1 ZINC000641446760 362423724 /nfs/dbraw/zinc/42/37/24/362423724.db2.gz LMXHXQUGMXOJPR-UHFFFAOYSA-N 1 2 218.325 3.021 20 0 BGADLO Cc1cccc(SCc2cn(C)c[nH+]2)c1 ZINC000641447408 362424881 /nfs/dbraw/zinc/42/48/81/362424881.db2.gz MQGGDMCOEPDHDX-UHFFFAOYSA-N 1 2 218.325 3.021 20 0 BGADLO Cc1ccc(SCc2ccc(C)[nH+]c2C)nn1 ZINC000641458341 362430580 /nfs/dbraw/zinc/43/05/80/362430580.db2.gz WPGACRVDRKLXHO-UHFFFAOYSA-N 1 2 245.351 3.089 20 0 BGADLO Fc1c[nH+]ccc1N[C@@H]1CCCc2sccc21 ZINC000641493719 362460082 /nfs/dbraw/zinc/46/00/82/362460082.db2.gz KWYXSZHZHDDPNK-LLVKDONJSA-N 1 2 248.326 3.194 20 0 BGADLO Fc1c[nH+]ccc1N[C@H]1CCCc2sccc21 ZINC000641493723 362460214 /nfs/dbraw/zinc/46/02/14/362460214.db2.gz KWYXSZHZHDDPNK-NSHDSACASA-N 1 2 248.326 3.194 20 0 BGADLO Cc1ccc2c(c1)CCN(c1cc[nH+]cc1F)C2 ZINC000641529192 362482932 /nfs/dbraw/zinc/48/29/32/362482932.db2.gz ZITIUQDJZBCWLV-UHFFFAOYSA-N 1 2 242.297 3.092 20 0 BGADLO Cc1cccc2c1CN(c1cc[nH+]cc1F)CC2 ZINC000641536021 362486629 /nfs/dbraw/zinc/48/66/29/362486629.db2.gz VXEYXTOXJZTANJ-UHFFFAOYSA-N 1 2 242.297 3.092 20 0 BGADLO CC(C)=CCC[C@@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641617016 362549651 /nfs/dbraw/zinc/54/96/51/362549651.db2.gz XSZTZAICSUZZGV-GFCCVEGCSA-N 1 2 234.343 3.121 20 0 BGADLO CC(C)=CCC[C@H](C)Nc1cc(CO)cc[nH+]1 ZINC000641617017 362549739 /nfs/dbraw/zinc/54/97/39/362549739.db2.gz XSZTZAICSUZZGV-LBPRGKRZSA-N 1 2 234.343 3.121 20 0 BGADLO CC(C)(CNc1cc(CO)cc[nH+]1)C1=CCCC1 ZINC000641624497 362556803 /nfs/dbraw/zinc/55/68/03/362556803.db2.gz HKFGMGSNGXHXSS-UHFFFAOYSA-N 1 2 246.354 3.122 20 0 BGADLO Cc1ccc2c(c1)CN(c1cc[nH+]cc1F)CC2 ZINC000641656688 362581273 /nfs/dbraw/zinc/58/12/73/362581273.db2.gz LFLYHFBNIUYFOX-UHFFFAOYSA-N 1 2 242.297 3.092 20 0 BGADLO Fc1c[nH+]ccc1N1CCC(c2ccco2)CC1 ZINC000641657845 362582640 /nfs/dbraw/zinc/58/26/40/362582640.db2.gz XZVFPVQADFOPSM-UHFFFAOYSA-N 1 2 246.285 3.198 20 0 BGADLO CCC(F)(F)C(C)(C)CNc1cc[nH+]cc1F ZINC000641678414 362599711 /nfs/dbraw/zinc/59/97/11/362599711.db2.gz PAMITTSESPHDMZ-UHFFFAOYSA-N 1 2 246.276 3.126 20 0 BGADLO CSc1ccc(CNc2ccc(C)[nH+]c2)o1 ZINC000641738755 362664221 /nfs/dbraw/zinc/66/42/21/362664221.db2.gz QTIMJZLEYLNQIH-UHFFFAOYSA-N 1 2 234.324 3.317 20 0 BGADLO CSc1ccc(CNc2c[nH+]cc(C)c2)o1 ZINC000641743048 362670258 /nfs/dbraw/zinc/67/02/58/362670258.db2.gz PRFJCUKYMJWJGN-UHFFFAOYSA-N 1 2 234.324 3.317 20 0 BGADLO CSc1ccc(CNc2ccc[nH+]c2C)o1 ZINC000641743355 362670130 /nfs/dbraw/zinc/67/01/30/362670130.db2.gz SNIGDKIKELBXOD-UHFFFAOYSA-N 1 2 234.324 3.317 20 0 BGADLO CSc1ccc(CNc2c[nH+]ccc2C)o1 ZINC000641744813 362666830 /nfs/dbraw/zinc/66/68/30/362666830.db2.gz ZYGXIFUGEVXWMW-UHFFFAOYSA-N 1 2 234.324 3.317 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)C(F)F ZINC000641790372 362724863 /nfs/dbraw/zinc/72/48/63/362724863.db2.gz IUWVCBZHGBMGRS-CPCISQLKSA-N 1 2 229.245 3.056 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)C(F)F ZINC000641790373 362725069 /nfs/dbraw/zinc/72/50/69/362725069.db2.gz IUWVCBZHGBMGRS-HQJQHLMTSA-N 1 2 229.245 3.056 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C(F)F ZINC000641790374 362724798 /nfs/dbraw/zinc/72/47/98/362724798.db2.gz IUWVCBZHGBMGRS-RDDDGLTNSA-N 1 2 229.245 3.056 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)C(F)F ZINC000641790375 362725062 /nfs/dbraw/zinc/72/50/62/362725062.db2.gz IUWVCBZHGBMGRS-WRWORJQWSA-N 1 2 229.245 3.056 20 0 BGADLO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)C(F)F ZINC000641790663 362724438 /nfs/dbraw/zinc/72/44/38/362724438.db2.gz PPOZTFNJOOOYQI-BXKDBHETSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)C(F)F ZINC000641790664 362724552 /nfs/dbraw/zinc/72/45/52/362724552.db2.gz PPOZTFNJOOOYQI-CABZTGNLSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)C(F)F ZINC000641790665 362725035 /nfs/dbraw/zinc/72/50/35/362725035.db2.gz PPOZTFNJOOOYQI-JOYOIKCWSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)C(F)F ZINC000641790666 362724856 /nfs/dbraw/zinc/72/48/56/362724856.db2.gz PPOZTFNJOOOYQI-SKDRFNHKSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)c(C)n1 ZINC000641790998 362730431 /nfs/dbraw/zinc/73/04/31/362730431.db2.gz APTMYAVBLYSGNM-NXEZZACHSA-N 1 2 228.286 3.003 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)c(C)n1 ZINC000641790999 362730164 /nfs/dbraw/zinc/73/01/64/362730164.db2.gz APTMYAVBLYSGNM-UWVGGRQHSA-N 1 2 228.286 3.003 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H](C)C(F)F)c(C)n1 ZINC000641791000 362730201 /nfs/dbraw/zinc/73/02/01/362730201.db2.gz APTMYAVBLYSGNM-VHSXEESVSA-N 1 2 228.286 3.003 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)c(C)n1 ZINC000641791001 362730594 /nfs/dbraw/zinc/73/05/94/362730594.db2.gz APTMYAVBLYSGNM-ZJUUUORDSA-N 1 2 228.286 3.003 20 0 BGADLO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)C(F)F)CCC2 ZINC000641791102 362729957 /nfs/dbraw/zinc/72/99/57/362729957.db2.gz CYTDHJNEFGEFNW-HTRCEHHLSA-N 1 2 246.326 3.072 20 0 BGADLO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)C(F)F)CCC2 ZINC000641791103 362730074 /nfs/dbraw/zinc/73/00/74/362730074.db2.gz CYTDHJNEFGEFNW-POYBYMJQSA-N 1 2 246.326 3.072 20 0 BGADLO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)C(F)F)CCC2 ZINC000641791104 362730320 /nfs/dbraw/zinc/73/03/20/362730320.db2.gz CYTDHJNEFGEFNW-SVRRBLITSA-N 1 2 246.326 3.072 20 0 BGADLO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)C(F)F)CCC2 ZINC000641791105 362730137 /nfs/dbraw/zinc/73/01/37/362730137.db2.gz CYTDHJNEFGEFNW-XPUUQOCRSA-N 1 2 246.326 3.072 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(F)F ZINC000641791108 362730617 /nfs/dbraw/zinc/73/06/17/362730617.db2.gz DCUFLCZQZABOFV-GZMMTYOYSA-N 1 2 241.281 3.013 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(F)F ZINC000641791109 362729995 /nfs/dbraw/zinc/72/99/95/362729995.db2.gz DCUFLCZQZABOFV-KCJUWKMLSA-N 1 2 241.281 3.013 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCc2c(O)cccc21)C(F)F ZINC000641791110 362730515 /nfs/dbraw/zinc/73/05/15/362730515.db2.gz DCUFLCZQZABOFV-KWQFWETISA-N 1 2 241.281 3.013 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCc2c(O)cccc21)C(F)F ZINC000641791111 362730661 /nfs/dbraw/zinc/73/06/61/362730661.db2.gz DCUFLCZQZABOFV-LDYMZIIASA-N 1 2 241.281 3.013 20 0 BGADLO COc1ccc([C@@H](C)[NH2+][C@H](C)C(F)F)c(C)c1 ZINC000641791157 362730172 /nfs/dbraw/zinc/73/01/72/362730172.db2.gz FBDAQFTXCSJEOF-NXEZZACHSA-N 1 2 243.297 3.308 20 0 BGADLO COc1ccc([C@H](C)[NH2+][C@@H](C)C(F)F)c(C)c1 ZINC000641791158 362730395 /nfs/dbraw/zinc/73/03/95/362730395.db2.gz FBDAQFTXCSJEOF-UWVGGRQHSA-N 1 2 243.297 3.308 20 0 BGADLO COc1ccc([C@H](C)[NH2+][C@H](C)C(F)F)c(C)c1 ZINC000641791159 362730112 /nfs/dbraw/zinc/73/01/12/362730112.db2.gz FBDAQFTXCSJEOF-VHSXEESVSA-N 1 2 243.297 3.308 20 0 BGADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(F)F)c(C)c1 ZINC000641791160 362729908 /nfs/dbraw/zinc/72/99/08/362729908.db2.gz FBDAQFTXCSJEOF-ZJUUUORDSA-N 1 2 243.297 3.308 20 0 BGADLO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000641791275 362729885 /nfs/dbraw/zinc/72/98/85/362729885.db2.gz GFZGTPHYKPSRLZ-FOGDFJRCSA-N 1 2 243.297 3.006 20 0 BGADLO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000641791277 362730606 /nfs/dbraw/zinc/73/06/06/362730606.db2.gz GFZGTPHYKPSRLZ-NHCYSSNCSA-N 1 2 243.297 3.006 20 0 BGADLO CO[C@H](c1ccccc1)[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000641791280 362730062 /nfs/dbraw/zinc/73/00/62/362730062.db2.gz GFZGTPHYKPSRLZ-SCVCMEIPSA-N 1 2 243.297 3.006 20 0 BGADLO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H](C)C(F)F ZINC000641791281 362730225 /nfs/dbraw/zinc/73/02/25/362730225.db2.gz GFZGTPHYKPSRLZ-UMNHJUIQSA-N 1 2 243.297 3.006 20 0 BGADLO Cc1c([C@@H](C)[NH2+][C@@H](C)C(F)F)cnn1C(C)C ZINC000641791535 362731555 /nfs/dbraw/zinc/73/15/55/362731555.db2.gz JYIRPSWUKMNUDM-BDAKNGLRSA-N 1 2 245.317 3.077 20 0 BGADLO Cc1c([C@H](C)[NH2+][C@H](C)C(F)F)cnn1C(C)C ZINC000641791540 362731637 /nfs/dbraw/zinc/73/16/37/362731637.db2.gz JYIRPSWUKMNUDM-DTWKUNHWSA-N 1 2 245.317 3.077 20 0 BGADLO Cc1c([C@H](C)[NH2+][C@@H](C)C(F)F)cnn1C(C)C ZINC000641791541 362731757 /nfs/dbraw/zinc/73/17/57/362731757.db2.gz JYIRPSWUKMNUDM-IUCAKERBSA-N 1 2 245.317 3.077 20 0 BGADLO Cc1c([C@@H](C)[NH2+][C@H](C)C(F)F)cnn1C(C)C ZINC000641791542 362731953 /nfs/dbraw/zinc/73/19/53/362731953.db2.gz JYIRPSWUKMNUDM-RKDXNWHRSA-N 1 2 245.317 3.077 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)C(F)F ZINC000641791552 362732069 /nfs/dbraw/zinc/73/20/69/362732069.db2.gz KDHVGCOHCHICQO-KBUNVGBDSA-N 1 2 247.235 3.195 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)C(F)F ZINC000641791553 362731815 /nfs/dbraw/zinc/73/18/15/362731815.db2.gz KDHVGCOHCHICQO-KGFZYKRKSA-N 1 2 247.235 3.195 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)C(F)F ZINC000641791554 362732118 /nfs/dbraw/zinc/73/21/18/362732118.db2.gz KDHVGCOHCHICQO-KSBSHMNSSA-N 1 2 247.235 3.195 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)C(F)F ZINC000641791555 362731498 /nfs/dbraw/zinc/73/14/98/362731498.db2.gz KDHVGCOHCHICQO-UPONEAKYSA-N 1 2 247.235 3.195 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cc2cnccc2o1 ZINC000641791822 362732681 /nfs/dbraw/zinc/73/26/81/362732681.db2.gz NSGGPBKOEBFXGB-HTQZYQBOSA-N 1 2 240.253 3.132 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C(F)F ZINC000641791823 362733286 /nfs/dbraw/zinc/73/32/86/362733286.db2.gz NSGGPBKOEBFXGB-JGVFFNPUSA-N 1 2 240.253 3.132 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cc2cnccc2o1 ZINC000641791824 362733041 /nfs/dbraw/zinc/73/30/41/362733041.db2.gz NSGGPBKOEBFXGB-SFYZADRCSA-N 1 2 240.253 3.132 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cc2cnccc2o1 ZINC000641791825 362733394 /nfs/dbraw/zinc/73/33/94/362733394.db2.gz NSGGPBKOEBFXGB-YUMQZZPRSA-N 1 2 240.253 3.132 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc2c(c1)COC2 ZINC000641792088 362726543 /nfs/dbraw/zinc/72/65/43/362726543.db2.gz RWGUZRLQNBWBTM-BDAKNGLRSA-N 1 2 241.281 3.021 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC2)C(F)F ZINC000641792089 362726287 /nfs/dbraw/zinc/72/62/87/362726287.db2.gz RWGUZRLQNBWBTM-DTWKUNHWSA-N 1 2 241.281 3.021 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccc2c(c1)COC2 ZINC000641792090 362726071 /nfs/dbraw/zinc/72/60/71/362726071.db2.gz RWGUZRLQNBWBTM-IUCAKERBSA-N 1 2 241.281 3.021 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc2c(c1)COC2 ZINC000641792091 362726565 /nfs/dbraw/zinc/72/65/65/362726565.db2.gz RWGUZRLQNBWBTM-RKDXNWHRSA-N 1 2 241.281 3.021 20 0 BGADLO COc1ccsc1[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000641792258 362725646 /nfs/dbraw/zinc/72/56/46/362725646.db2.gz SXJKROGIDUGQHN-BQBZGAKWSA-N 1 2 235.299 3.061 20 0 BGADLO COc1ccsc1[C@H](C)[NH2+][C@H](C)C(F)F ZINC000641792259 362726606 /nfs/dbraw/zinc/72/66/06/362726606.db2.gz SXJKROGIDUGQHN-NKWVEPMBSA-N 1 2 235.299 3.061 20 0 BGADLO COc1ccsc1[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000641792260 362727332 /nfs/dbraw/zinc/72/73/32/362727332.db2.gz SXJKROGIDUGQHN-RNFRBKRXSA-N 1 2 235.299 3.061 20 0 BGADLO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000641792261 362728278 /nfs/dbraw/zinc/72/82/78/362728278.db2.gz SXJKROGIDUGQHN-RQJHMYQMSA-N 1 2 235.299 3.061 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccccc1N(C)C ZINC000641792262 362728207 /nfs/dbraw/zinc/72/82/07/362728207.db2.gz SZUDVPHIRYJVLJ-NXEZZACHSA-N 1 2 242.313 3.057 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccccc1N(C)C ZINC000641792263 362727534 /nfs/dbraw/zinc/72/75/34/362727534.db2.gz SZUDVPHIRYJVLJ-UWVGGRQHSA-N 1 2 242.313 3.057 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1N(C)C)C(F)F ZINC000641792264 362727544 /nfs/dbraw/zinc/72/75/44/362727544.db2.gz SZUDVPHIRYJVLJ-VHSXEESVSA-N 1 2 242.313 3.057 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccccc1N(C)C ZINC000641792265 362728189 /nfs/dbraw/zinc/72/81/89/362728189.db2.gz SZUDVPHIRYJVLJ-ZJUUUORDSA-N 1 2 242.313 3.057 20 0 BGADLO CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)C(F)F)s1 ZINC000641792808 362729238 /nfs/dbraw/zinc/72/92/38/362729238.db2.gz YOUVKCRRKYUJFB-HTRCEHHLSA-N 1 2 248.342 3.318 20 0 BGADLO CCc1nc(C)c([C@H](C)[NH2+][C@H](C)C(F)F)s1 ZINC000641792809 362728447 /nfs/dbraw/zinc/72/84/47/362728447.db2.gz YOUVKCRRKYUJFB-POYBYMJQSA-N 1 2 248.342 3.318 20 0 BGADLO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C(F)F)s1 ZINC000641792810 362729314 /nfs/dbraw/zinc/72/93/14/362729314.db2.gz YOUVKCRRKYUJFB-SVRRBLITSA-N 1 2 248.342 3.318 20 0 BGADLO CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)C(F)F)s1 ZINC000641792811 362729122 /nfs/dbraw/zinc/72/91/22/362729122.db2.gz YOUVKCRRKYUJFB-XPUUQOCRSA-N 1 2 248.342 3.318 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)C(F)F)c1cccc(OC)c1 ZINC000641792821 362728673 /nfs/dbraw/zinc/72/86/73/362728673.db2.gz YTQLPTBPDOOPFR-BXKDBHETSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)C(F)F)c1cccc(OC)c1 ZINC000641792822 362728611 /nfs/dbraw/zinc/72/86/11/362728611.db2.gz YTQLPTBPDOOPFR-CABZTGNLSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)C(F)F)c1cccc(OC)c1 ZINC000641792823 362729267 /nfs/dbraw/zinc/72/92/67/362729267.db2.gz YTQLPTBPDOOPFR-JOYOIKCWSA-N 1 2 243.297 3.390 20 0 BGADLO CC[C@H]([NH2+][C@H](C)C(F)F)c1cccc(OC)c1 ZINC000641792824 362728663 /nfs/dbraw/zinc/72/86/63/362728663.db2.gz YTQLPTBPDOOPFR-SKDRFNHKSA-N 1 2 243.297 3.390 20 0 BGADLO C/C(=C/c1ccccc1)C[NH2+][C@H](C)C(F)F ZINC000641793040 362726376 /nfs/dbraw/zinc/72/63/76/362726376.db2.gz AZWFSQAFQAJCIE-HIJJYWJESA-N 1 2 225.282 3.333 20 0 BGADLO C/C(=C/c1ccccc1)C[NH2+][C@@H](C)C(F)F ZINC000641793041 362725879 /nfs/dbraw/zinc/72/58/79/362725879.db2.gz AZWFSQAFQAJCIE-IEHMKBBKSA-N 1 2 225.282 3.333 20 0 BGADLO C/C(=C\c1ccccc1)C[NH2+][C@H](C)C(F)F ZINC000641793042 362726326 /nfs/dbraw/zinc/72/63/26/362726326.db2.gz AZWFSQAFQAJCIE-RJCSOLBVSA-N 1 2 225.282 3.333 20 0 BGADLO C/C(=C\c1ccccc1)C[NH2+][C@@H](C)C(F)F ZINC000641793043 362725823 /nfs/dbraw/zinc/72/58/23/362725823.db2.gz AZWFSQAFQAJCIE-UQSGXBNBSA-N 1 2 225.282 3.333 20 0 BGADLO CSc1ccc(C[NH2+][C@@H](C)C(F)F)s1 ZINC000641793055 362727888 /nfs/dbraw/zinc/72/78/88/362727888.db2.gz BMNBPKLSSYNNTA-LURJTMIESA-N 1 2 237.340 3.213 20 0 BGADLO CSc1ccc(C[NH2+][C@H](C)C(F)F)s1 ZINC000641793056 362727912 /nfs/dbraw/zinc/72/79/12/362727912.db2.gz BMNBPKLSSYNNTA-ZCFIWIBFSA-N 1 2 237.340 3.213 20 0 BGADLO C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)C(F)F ZINC000641793057 362728362 /nfs/dbraw/zinc/72/83/62/362728362.db2.gz BNTPZJHPLIYPRA-GKQMSVHHSA-N 1 2 229.245 3.082 20 0 BGADLO C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)C(F)F ZINC000641793058 362727661 /nfs/dbraw/zinc/72/76/61/362727661.db2.gz BNTPZJHPLIYPRA-HPOULIHZSA-N 1 2 229.245 3.082 20 0 BGADLO C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)C(F)F ZINC000641793059 362727407 /nfs/dbraw/zinc/72/74/07/362727407.db2.gz BNTPZJHPLIYPRA-PKRMOACSSA-N 1 2 229.245 3.082 20 0 BGADLO C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)C(F)F ZINC000641793060 362727433 /nfs/dbraw/zinc/72/74/33/362727433.db2.gz BNTPZJHPLIYPRA-XADBCAIWSA-N 1 2 229.245 3.082 20 0 BGADLO C[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)C(F)F ZINC000641793271 362727720 /nfs/dbraw/zinc/72/77/20/362727720.db2.gz HSYGLKJLGDNCMH-KZUAUGPASA-N 1 2 247.235 3.221 20 0 BGADLO C[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)C(F)F ZINC000641793272 362727426 /nfs/dbraw/zinc/72/74/26/362727426.db2.gz HSYGLKJLGDNCMH-SGJFDWMWSA-N 1 2 247.235 3.221 20 0 BGADLO C[C@@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)C(F)F ZINC000641793273 362728237 /nfs/dbraw/zinc/72/82/37/362728237.db2.gz HSYGLKJLGDNCMH-UFUPEUMYSA-N 1 2 247.235 3.221 20 0 BGADLO C[C@@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)C(F)F ZINC000641793274 362727732 /nfs/dbraw/zinc/72/77/32/362727732.db2.gz HSYGLKJLGDNCMH-YAJNLLPGSA-N 1 2 247.235 3.221 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc2occc2c1)C(F)F ZINC000641793281 362728766 /nfs/dbraw/zinc/72/87/66/362728766.db2.gz HXAWUJKSWSIBSN-MRVPVSSYSA-N 1 2 225.238 3.176 20 0 BGADLO C[C@H]([NH2+]Cc1ccc2occc2c1)C(F)F ZINC000641793282 362729107 /nfs/dbraw/zinc/72/91/07/362729107.db2.gz HXAWUJKSWSIBSN-QMMMGPOBSA-N 1 2 225.238 3.176 20 0 BGADLO C[C@@H]([NH2+]Cc1cc2ccncc2s1)C(F)F ZINC000641793573 362735819 /nfs/dbraw/zinc/73/58/19/362735819.db2.gz KFKBSOCTWLXTBM-SSDOTTSWSA-N 1 2 242.294 3.040 20 0 BGADLO C[C@H]([NH2+]Cc1cc2ccncc2s1)C(F)F ZINC000641793574 362735556 /nfs/dbraw/zinc/73/55/56/362735556.db2.gz KFKBSOCTWLXTBM-ZETCQYMHSA-N 1 2 242.294 3.040 20 0 BGADLO C[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)C(F)F ZINC000641793587 362735586 /nfs/dbraw/zinc/73/55/86/362735586.db2.gz KVJZJHNRIBYKMI-SSDOTTSWSA-N 1 2 243.228 3.315 20 0 BGADLO C[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)C(F)F ZINC000641793588 362735244 /nfs/dbraw/zinc/73/52/44/362735244.db2.gz KVJZJHNRIBYKMI-ZETCQYMHSA-N 1 2 243.228 3.315 20 0 BGADLO Cc1cccc2[nH]c(C[NH2+][C@H](C)C(F)F)cc21 ZINC000641793995 362733401 /nfs/dbraw/zinc/73/34/01/362733401.db2.gz IVISIWPQVILERH-SECBINFHSA-N 1 2 238.281 3.220 20 0 BGADLO Cc1cccc2[nH]c(C[NH2+][C@@H](C)C(F)F)cc21 ZINC000641793996 362732465 /nfs/dbraw/zinc/73/24/65/362732465.db2.gz IVISIWPQVILERH-VIFPVBQESA-N 1 2 238.281 3.220 20 0 BGADLO CC(C)Cc1ncc(C[NH2+][C@H](C)C(F)F)s1 ZINC000641794184 362734223 /nfs/dbraw/zinc/73/42/23/362734223.db2.gz RLDINYQNSUIJRW-MRVPVSSYSA-N 1 2 248.342 3.085 20 0 BGADLO CC(C)Cc1ncc(C[NH2+][C@@H](C)C(F)F)s1 ZINC000641794185 362733903 /nfs/dbraw/zinc/73/39/03/362733903.db2.gz RLDINYQNSUIJRW-QMMMGPOBSA-N 1 2 248.342 3.085 20 0 BGADLO C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)C(F)F ZINC000641794251 362734052 /nfs/dbraw/zinc/73/40/52/362734052.db2.gz UFVKUXJHKWCVIU-KZUAUGPASA-N 1 2 247.235 3.221 20 0 BGADLO C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)C(F)F ZINC000641794252 362734728 /nfs/dbraw/zinc/73/47/28/362734728.db2.gz UFVKUXJHKWCVIU-SGJFDWMWSA-N 1 2 247.235 3.221 20 0 BGADLO C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1F)C(F)F ZINC000641794253 362734186 /nfs/dbraw/zinc/73/41/86/362734186.db2.gz UFVKUXJHKWCVIU-UFUPEUMYSA-N 1 2 247.235 3.221 20 0 BGADLO C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1F)C(F)F ZINC000641794254 362734504 /nfs/dbraw/zinc/73/45/04/362734504.db2.gz UFVKUXJHKWCVIU-YAJNLLPGSA-N 1 2 247.235 3.221 20 0 BGADLO Cc1ccc2cc(C[NH2+][C@H](C)C(F)F)[nH]c2c1 ZINC000641794295 362734089 /nfs/dbraw/zinc/73/40/89/362734089.db2.gz MLTHGFVOXOVUTG-SECBINFHSA-N 1 2 238.281 3.220 20 0 BGADLO Cc1ccc2cc(C[NH2+][C@@H](C)C(F)F)[nH]c2c1 ZINC000641794296 362734072 /nfs/dbraw/zinc/73/40/72/362734072.db2.gz MLTHGFVOXOVUTG-VIFPVBQESA-N 1 2 238.281 3.220 20 0 BGADLO COc1cc(C[NH2+][C@H](C)C(F)F)ccc1Cl ZINC000641794395 362734098 /nfs/dbraw/zinc/73/40/98/362734098.db2.gz NWJJQZAAXLWZCP-SSDOTTSWSA-N 1 2 249.688 3.092 20 0 BGADLO COc1cc(C[NH2+][C@@H](C)C(F)F)ccc1Cl ZINC000641794397 362734387 /nfs/dbraw/zinc/73/43/87/362734387.db2.gz NWJJQZAAXLWZCP-ZETCQYMHSA-N 1 2 249.688 3.092 20 0 BGADLO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)C(F)F ZINC000641794566 362736207 /nfs/dbraw/zinc/73/62/07/362736207.db2.gz VVQCXGWBWXQTPU-SSDOTTSWSA-N 1 2 246.326 3.154 20 0 BGADLO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)C(F)F ZINC000641794567 362735854 /nfs/dbraw/zinc/73/58/54/362735854.db2.gz VVQCXGWBWXQTPU-ZETCQYMHSA-N 1 2 246.326 3.154 20 0 BGADLO CCOc1ccc(C[NH2+][C@@H](C)C(F)F)c(C)c1 ZINC000641794824 362738872 /nfs/dbraw/zinc/73/88/72/362738872.db2.gz QPZXSCSNDFLMNY-JTQLQIEISA-N 1 2 243.297 3.137 20 0 BGADLO CCOc1ccc(C[NH2+][C@H](C)C(F)F)c(C)c1 ZINC000641794825 362738123 /nfs/dbraw/zinc/73/81/23/362738123.db2.gz QPZXSCSNDFLMNY-SNVBAGLBSA-N 1 2 243.297 3.137 20 0 BGADLO Cc1ccc(NC(=O)CCCC2CC2)c(C)[nH+]1 ZINC000643237077 385864114 /nfs/dbraw/zinc/86/41/14/385864114.db2.gz GUPGLNNJJVJFTI-UHFFFAOYSA-N 1 2 232.327 3.217 20 0 BGADLO CCC(C)(CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000643318891 386219346 /nfs/dbraw/zinc/21/93/46/386219346.db2.gz DYQGHVFBKMKOBL-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO c1ccc(N[C@H]2CCc3ccc[nH+]c3CC2)cc1 ZINC000643346758 384514034 /nfs/dbraw/zinc/51/40/34/384514034.db2.gz CBAOEVAJVVEQQM-HNNXBMFYSA-N 1 2 238.334 3.441 20 0 BGADLO c1ccc(N[C@@H]2CCc3ccc[nH+]c3CC2)cc1 ZINC000643346759 384514486 /nfs/dbraw/zinc/51/44/86/384514486.db2.gz CBAOEVAJVVEQQM-OAHLLOKOSA-N 1 2 238.334 3.441 20 0 BGADLO C[N@@H+](CC(F)F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000643401538 386766885 /nfs/dbraw/zinc/76/68/85/386766885.db2.gz YGGKUMNDDPEXIQ-SFYZADRCSA-N 1 2 245.235 3.304 20 0 BGADLO C[N@H+](CC(F)F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000643401538 386766876 /nfs/dbraw/zinc/76/68/76/386766876.db2.gz YGGKUMNDDPEXIQ-SFYZADRCSA-N 1 2 245.235 3.304 20 0 BGADLO CO[C@@H]1CCC[C@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000643503308 387381619 /nfs/dbraw/zinc/38/16/19/387381619.db2.gz FAYQHWFZOVLYMO-GXTWGEPZSA-N 1 2 246.354 3.024 20 0 BGADLO CO[C@@H]1CCC[C@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000643503308 387381616 /nfs/dbraw/zinc/38/16/16/387381616.db2.gz FAYQHWFZOVLYMO-GXTWGEPZSA-N 1 2 246.354 3.024 20 0 BGADLO CO[C@H]1CCC[C@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000643503309 387381609 /nfs/dbraw/zinc/38/16/09/387381609.db2.gz FAYQHWFZOVLYMO-JSGCOSHPSA-N 1 2 246.354 3.024 20 0 BGADLO CO[C@H]1CCC[C@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000643503309 387381606 /nfs/dbraw/zinc/38/16/06/387381606.db2.gz FAYQHWFZOVLYMO-JSGCOSHPSA-N 1 2 246.354 3.024 20 0 BGADLO CO[C@H]1CCC[C@@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000643503310 387381835 /nfs/dbraw/zinc/38/18/35/387381835.db2.gz FAYQHWFZOVLYMO-OCCSQVGLSA-N 1 2 246.354 3.024 20 0 BGADLO CO[C@H]1CCC[C@@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000643503310 387381834 /nfs/dbraw/zinc/38/18/34/387381834.db2.gz FAYQHWFZOVLYMO-OCCSQVGLSA-N 1 2 246.354 3.024 20 0 BGADLO CO[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CC[NH2+]3)C1 ZINC000643503311 387382001 /nfs/dbraw/zinc/38/20/01/387382001.db2.gz FAYQHWFZOVLYMO-TZMCWYRMSA-N 1 2 246.354 3.024 20 0 BGADLO CO[C@@H]1CCC[C@@H]([NH2+]c2ccc3c(c2)CCN3)C1 ZINC000643503311 387381997 /nfs/dbraw/zinc/38/19/97/387381997.db2.gz FAYQHWFZOVLYMO-TZMCWYRMSA-N 1 2 246.354 3.024 20 0 BGADLO c1ccc2[nH+]c(N3CCC(C4CC4)CC3)[nH]c2c1 ZINC000644136479 385520707 /nfs/dbraw/zinc/52/07/07/385520707.db2.gz ILFVISFRAJBEQX-UHFFFAOYSA-N 1 2 241.338 3.189 20 0 BGADLO Cc1nc(N2CCC(C3CC3)CC2)c(C)c(C)[nH+]1 ZINC000644136573 385520802 /nfs/dbraw/zinc/52/08/02/385520802.db2.gz UMHYEDUXWCFDPS-UHFFFAOYSA-N 1 2 245.370 3.028 20 0 BGADLO Cc1ccoc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000644139940 385522490 /nfs/dbraw/zinc/52/24/90/385522490.db2.gz BDGWRXKQUCOSCH-UHFFFAOYSA-N 1 2 227.267 3.076 20 0 BGADLO COCCOc1ccc(-c2cc[nH+]c(C)c2)cc1 ZINC000644613842 385016320 /nfs/dbraw/zinc/01/63/20/385016320.db2.gz CAXHCHSWTJJJCU-UHFFFAOYSA-N 1 2 243.306 3.082 20 0 BGADLO Cc1cccc(-c2cccc(-c3[nH]cc[nH+]3)c2)n1 ZINC000644613879 385016675 /nfs/dbraw/zinc/01/66/75/385016675.db2.gz MKWNJLCWFRRVSV-UHFFFAOYSA-N 1 2 235.290 3.447 20 0 BGADLO Cc1cc(-c2ccc(N3CCCC3)[nH+]c2)ccn1 ZINC000644613898 385015514 /nfs/dbraw/zinc/01/55/14/385015514.db2.gz MXMICELPGKZNSR-UHFFFAOYSA-N 1 2 239.322 3.052 20 0 BGADLO Cc1ccnc(-c2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000644613969 385016303 /nfs/dbraw/zinc/01/63/03/385016303.db2.gz QMYWISBEWHTVPL-UHFFFAOYSA-N 1 2 235.290 3.447 20 0 BGADLO Nc1ccccc1-c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000644613998 385016014 /nfs/dbraw/zinc/01/60/14/385016014.db2.gz RVCNGVVHVPYYTC-UHFFFAOYSA-N 1 2 235.290 3.326 20 0 BGADLO Cc1cc(-c2cccc(-c3[nH]cc[nH+]3)c2)ccn1 ZINC000644614034 385015824 /nfs/dbraw/zinc/01/58/24/385015824.db2.gz VEFCHZVIFUJHRI-UHFFFAOYSA-N 1 2 235.290 3.447 20 0 BGADLO c1c[nH+]c(-c2cccc(-c3cscn3)c2)[nH]1 ZINC000644614092 385015702 /nfs/dbraw/zinc/01/57/02/385015702.db2.gz YOWIAFNVJJICKF-UHFFFAOYSA-N 1 2 227.292 3.200 20 0 BGADLO COCCc1ccc(-c2cc[nH+]c(C)c2)cc1 ZINC000644614211 385016251 /nfs/dbraw/zinc/01/62/51/385016251.db2.gz NJJBQWZACVPBLJ-UHFFFAOYSA-N 1 2 227.307 3.246 20 0 BGADLO COCc1cc(-c2cc[nH+]c(C)c2)ccc1OC ZINC000644614223 385015540 /nfs/dbraw/zinc/01/55/40/385015540.db2.gz OGTYNGHRZAEGMC-UHFFFAOYSA-N 1 2 243.306 3.212 20 0 BGADLO Cc1cc([NH2+]CC2(O)CCC(C)CC2)ccc1O ZINC000644699849 385113402 /nfs/dbraw/zinc/11/34/02/385113402.db2.gz VDWDSKYMLNKYPT-UHFFFAOYSA-N 1 2 249.354 3.054 20 0 BGADLO C[C@@H](O)CCC[N@H+]1CC(C)(C)Cc2ccccc21 ZINC000644717391 385136163 /nfs/dbraw/zinc/13/61/63/385136163.db2.gz FPPYIUVZZCOBPE-CYBMUJFWSA-N 1 2 247.382 3.236 20 0 BGADLO C[C@@H](O)CCC[N@@H+]1CC(C)(C)Cc2ccccc21 ZINC000644717391 385136157 /nfs/dbraw/zinc/13/61/57/385136157.db2.gz FPPYIUVZZCOBPE-CYBMUJFWSA-N 1 2 247.382 3.236 20 0 BGADLO C[C@H](O)CCC[N@H+]1CC(C)(C)Cc2ccccc21 ZINC000644717392 385135473 /nfs/dbraw/zinc/13/54/73/385135473.db2.gz FPPYIUVZZCOBPE-ZDUSSCGKSA-N 1 2 247.382 3.236 20 0 BGADLO C[C@H](O)CCC[N@@H+]1CC(C)(C)Cc2ccccc21 ZINC000644717392 385135470 /nfs/dbraw/zinc/13/54/70/385135470.db2.gz FPPYIUVZZCOBPE-ZDUSSCGKSA-N 1 2 247.382 3.236 20 0 BGADLO CC1(C)Cc2ccccc2[N@H+](CCCCCO)C1 ZINC000644719236 385139443 /nfs/dbraw/zinc/13/94/43/385139443.db2.gz VJEHCKDKYVCBPX-UHFFFAOYSA-N 1 2 247.382 3.238 20 0 BGADLO CC1(C)Cc2ccccc2[N@@H+](CCCCCO)C1 ZINC000644719236 385139441 /nfs/dbraw/zinc/13/94/41/385139441.db2.gz VJEHCKDKYVCBPX-UHFFFAOYSA-N 1 2 247.382 3.238 20 0 BGADLO CC(C)CCN(C)c1[nH+]c2ccc(F)cc2n1C ZINC000644860422 386356471 /nfs/dbraw/zinc/35/64/71/386356471.db2.gz JLXPCPXGGPWQPQ-UHFFFAOYSA-N 1 2 249.333 3.195 20 0 BGADLO Cc1cc(C)cc(OCCOc2cc[nH+]cc2)c1 ZINC000644869687 385613196 /nfs/dbraw/zinc/61/31/96/385613196.db2.gz UVHQFTRDWFUKQV-UHFFFAOYSA-N 1 2 243.306 3.156 20 0 BGADLO CSc1ccc(COc2cc[nH+]cc2)cc1 ZINC000644869883 385627528 /nfs/dbraw/zinc/62/75/28/385627528.db2.gz RMUPPQVWQFQUNB-UHFFFAOYSA-N 1 2 231.320 3.383 20 0 BGADLO CC(C)n1c[nH+]cc1CN(C)Cc1ccsc1 ZINC000644900708 384918997 /nfs/dbraw/zinc/91/89/97/384918997.db2.gz BNASJZIHHGQFBI-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO CC(C)n1cncc1C[N@@H+](C)Cc1ccsc1 ZINC000644900708 384918991 /nfs/dbraw/zinc/91/89/91/384918991.db2.gz BNASJZIHHGQFBI-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO CC(C)n1cncc1C[N@H+](C)Cc1ccsc1 ZINC000644900708 384918986 /nfs/dbraw/zinc/91/89/86/384918986.db2.gz BNASJZIHHGQFBI-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1cncn1C(C)C ZINC000644901440 383906254 /nfs/dbraw/zinc/90/62/54/383906254.db2.gz OKNCVSSKHIQHII-UHFFFAOYSA-N 1 2 247.342 3.079 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1cncn1C(C)C ZINC000644901440 383906246 /nfs/dbraw/zinc/90/62/46/383906246.db2.gz OKNCVSSKHIQHII-UHFFFAOYSA-N 1 2 247.342 3.079 20 0 BGADLO Cc1cc(F)c(C[N@@H+]2CC=CCC2)c(F)c1 ZINC000644902169 398099947 /nfs/dbraw/zinc/09/99/47/398099947.db2.gz UTNFJGKHCJOEQK-UHFFFAOYSA-N 1 2 223.266 3.035 20 0 BGADLO Cc1cc(F)c(C[N@H+]2CC=CCC2)c(F)c1 ZINC000644902169 398099945 /nfs/dbraw/zinc/09/99/45/398099945.db2.gz UTNFJGKHCJOEQK-UHFFFAOYSA-N 1 2 223.266 3.035 20 0 BGADLO FC(F)(F)CCCC[N@H+]1Cc2cccnc2C1 ZINC000644933406 386630909 /nfs/dbraw/zinc/63/09/09/386630909.db2.gz SMLXZFUWEGRICS-UHFFFAOYSA-N 1 2 244.260 3.130 20 0 BGADLO FC(F)(F)CCCC[N@@H+]1Cc2cccnc2C1 ZINC000644933406 386630903 /nfs/dbraw/zinc/63/09/03/386630903.db2.gz SMLXZFUWEGRICS-UHFFFAOYSA-N 1 2 244.260 3.130 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)CCCC1CC1 ZINC000644972068 386647449 /nfs/dbraw/zinc/64/74/49/386647449.db2.gz SETLAKICJCLANN-UHFFFAOYSA-N 1 2 232.327 3.217 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)C1CCCC1 ZINC000644972571 386651228 /nfs/dbraw/zinc/65/12/28/386651228.db2.gz QRXJBBVDIJIQEN-LLVKDONJSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)C1CCCC1 ZINC000644972577 386652336 /nfs/dbraw/zinc/65/23/36/386652336.db2.gz QRXJBBVDIJIQEN-NSHDSACASA-N 1 2 246.354 3.463 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)CCC(C)(F)F ZINC000644972789 386652063 /nfs/dbraw/zinc/65/20/63/386652063.db2.gz DVYQZLVUGTWIQV-UHFFFAOYSA-N 1 2 242.269 3.072 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H](C)c1ccco1 ZINC000644973170 386650860 /nfs/dbraw/zinc/65/08/60/386650860.db2.gz DEZOSRWCZCYQTN-JTQLQIEISA-N 1 2 244.294 3.034 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@H](C)c1ccco1 ZINC000644973174 386650769 /nfs/dbraw/zinc/65/07/69/386650769.db2.gz DEZOSRWCZCYQTN-SNVBAGLBSA-N 1 2 244.294 3.034 20 0 BGADLO CCc1ccc([C@@H]2CC[N@@H+](CC(F)F)C2)cc1 ZINC000645007892 386668324 /nfs/dbraw/zinc/66/83/24/386668324.db2.gz HCMFGXSDRQTKSU-CYBMUJFWSA-N 1 2 239.309 3.303 20 0 BGADLO CCc1ccc([C@@H]2CC[N@H+](CC(F)F)C2)cc1 ZINC000645007892 386668317 /nfs/dbraw/zinc/66/83/17/386668317.db2.gz HCMFGXSDRQTKSU-CYBMUJFWSA-N 1 2 239.309 3.303 20 0 BGADLO CCc1ccc([C@H]2CC[N@@H+](CC(F)F)C2)cc1 ZINC000645007893 386668276 /nfs/dbraw/zinc/66/82/76/386668276.db2.gz HCMFGXSDRQTKSU-ZDUSSCGKSA-N 1 2 239.309 3.303 20 0 BGADLO CCc1ccc([C@H]2CC[N@H+](CC(F)F)C2)cc1 ZINC000645007893 386668269 /nfs/dbraw/zinc/66/82/69/386668269.db2.gz HCMFGXSDRQTKSU-ZDUSSCGKSA-N 1 2 239.309 3.303 20 0 BGADLO FC(F)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000645008992 386666914 /nfs/dbraw/zinc/66/69/14/386666914.db2.gz XCSYPBKWFLCUET-GFCCVEGCSA-N 1 2 225.282 3.131 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000645008992 386666905 /nfs/dbraw/zinc/66/69/05/386666905.db2.gz XCSYPBKWFLCUET-GFCCVEGCSA-N 1 2 225.282 3.131 20 0 BGADLO FC(F)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000645008995 386668141 /nfs/dbraw/zinc/66/81/41/386668141.db2.gz XCSYPBKWFLCUET-LBPRGKRZSA-N 1 2 225.282 3.131 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000645008995 386668134 /nfs/dbraw/zinc/66/81/34/386668134.db2.gz XCSYPBKWFLCUET-LBPRGKRZSA-N 1 2 225.282 3.131 20 0 BGADLO CCc1cc(NC2CC(C(C)(C)C)C2)nc[nH+]1 ZINC000645046959 386688579 /nfs/dbraw/zinc/68/85/79/386688579.db2.gz KLJNJAFRDINUJG-UHFFFAOYSA-N 1 2 233.359 3.276 20 0 BGADLO Cc1cc2ccccc2[nH+]c1NCC(C)(F)F ZINC000645048522 386690384 /nfs/dbraw/zinc/69/03/84/386690384.db2.gz GBXKPUYLAFRBPL-UHFFFAOYSA-N 1 2 236.265 3.032 20 0 BGADLO C[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000645151523 386763787 /nfs/dbraw/zinc/76/37/87/386763787.db2.gz UCXOXFMLDYQEHK-JTQLQIEISA-N 1 2 230.286 3.220 20 0 BGADLO C[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000645151527 386764176 /nfs/dbraw/zinc/76/41/76/386764176.db2.gz UCXOXFMLDYQEHK-SNVBAGLBSA-N 1 2 230.286 3.220 20 0 BGADLO Cc1ccc2c(c1)C[N@H+](CC(F)F)C(C)(C)C2 ZINC000645233451 385693143 /nfs/dbraw/zinc/69/31/43/385693143.db2.gz RTHMYDDGLZPPOF-UHFFFAOYSA-N 1 2 239.309 3.397 20 0 BGADLO Cc1ccc2c(c1)C[N@@H+](CC(F)F)C(C)(C)C2 ZINC000645233451 385693139 /nfs/dbraw/zinc/69/31/39/385693139.db2.gz RTHMYDDGLZPPOF-UHFFFAOYSA-N 1 2 239.309 3.397 20 0 BGADLO Fc1ccc2c(cc[nH+]c2N2CCC3(CC3)C2)c1 ZINC000645235609 385696487 /nfs/dbraw/zinc/69/64/87/385696487.db2.gz WEJVSXTXWSGHEF-UHFFFAOYSA-N 1 2 242.297 3.364 20 0 BGADLO Fc1ccc2c(cc[nH+]c2N2CCC[C@@H]3C[C@@H]32)c1 ZINC000645241737 385702328 /nfs/dbraw/zinc/70/23/28/385702328.db2.gz VNYFFEVLIHGXFY-RISCZKNCSA-N 1 2 242.297 3.363 20 0 BGADLO Fc1ccc2c(cc[nH+]c2N2CCC[C@H]3C[C@H]32)c1 ZINC000645241738 385703383 /nfs/dbraw/zinc/70/33/83/385703383.db2.gz VNYFFEVLIHGXFY-SMDDNHRTSA-N 1 2 242.297 3.363 20 0 BGADLO Cc1ccc([C@@H]2C[C@H]2Nc2cc[nH+]c(C)n2)cc1 ZINC000645333150 386737134 /nfs/dbraw/zinc/73/71/34/386737134.db2.gz YGAVJTCUXHCHPQ-UONOGXRCSA-N 1 2 239.322 3.061 20 0 BGADLO CN(CCC(C)(C)C)c1cc[nH+]c(C2CC2)n1 ZINC000645342281 386849325 /nfs/dbraw/zinc/84/93/25/386849325.db2.gz QQBOXFKQFJIWKY-UHFFFAOYSA-N 1 2 233.359 3.226 20 0 BGADLO FC1CCC(CNc2cccc[nH+]2)CC1 ZINC000645389940 386103069 /nfs/dbraw/zinc/10/30/69/386103069.db2.gz DIDPBZWIBXGXDB-UHFFFAOYSA-N 1 2 208.280 3.022 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CCS[C@@H]2C)c1Cl ZINC000645399878 386407965 /nfs/dbraw/zinc/40/79/65/386407965.db2.gz XMCMQIJZXQXHLT-BDAKNGLRSA-N 1 2 242.775 3.349 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CCS[C@H]2C)c1Cl ZINC000645399879 386409342 /nfs/dbraw/zinc/40/93/42/386409342.db2.gz XMCMQIJZXQXHLT-DTWKUNHWSA-N 1 2 242.775 3.349 20 0 BGADLO Cc1cc[nH+]c(N[C@H]2CCS[C@H]2C)c1Cl ZINC000645399880 386408893 /nfs/dbraw/zinc/40/88/93/386408893.db2.gz XMCMQIJZXQXHLT-IUCAKERBSA-N 1 2 242.775 3.349 20 0 BGADLO Cc1cc[nH+]c(N[C@@H]2CCS[C@@H]2C)c1Cl ZINC000645399881 386408918 /nfs/dbraw/zinc/40/89/18/386408918.db2.gz XMCMQIJZXQXHLT-RKDXNWHRSA-N 1 2 242.775 3.349 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000645487687 386480423 /nfs/dbraw/zinc/48/04/23/386480423.db2.gz BTIVJKUVQTZZCD-LLVKDONJSA-N 1 2 247.235 3.197 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000645487694 386481233 /nfs/dbraw/zinc/48/12/33/386481233.db2.gz BTIVJKUVQTZZCD-NSHDSACASA-N 1 2 247.235 3.197 20 0 BGADLO CCOc1ccc([C@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000645487707 386481914 /nfs/dbraw/zinc/48/19/14/386481914.db2.gz LCLYSJVNRPNULO-JTQLQIEISA-N 1 2 243.297 3.391 20 0 BGADLO CCOc1ccc([C@@H](C)[NH2+]CC(C)(F)F)cc1 ZINC000645487708 386480878 /nfs/dbraw/zinc/48/08/78/386480878.db2.gz LCLYSJVNRPNULO-SNVBAGLBSA-N 1 2 243.297 3.391 20 0 BGADLO CCOc1ccccc1[C@H](C)[NH2+]CC(C)(F)F ZINC000645487906 386489912 /nfs/dbraw/zinc/48/99/12/386489912.db2.gz KTRPBHCBGGBRTO-JTQLQIEISA-N 1 2 243.297 3.391 20 0 BGADLO CCOc1ccccc1[C@@H](C)[NH2+]CC(C)(F)F ZINC000645487907 386490307 /nfs/dbraw/zinc/49/03/07/386490307.db2.gz KTRPBHCBGGBRTO-SNVBAGLBSA-N 1 2 243.297 3.391 20 0 BGADLO CC(F)(F)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000645487912 386490164 /nfs/dbraw/zinc/49/01/64/386490164.db2.gz NLPJIEWSFNJECI-GFCCVEGCSA-N 1 2 243.272 3.448 20 0 BGADLO CC(F)(F)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000645487913 386489688 /nfs/dbraw/zinc/48/96/88/386489688.db2.gz NLPJIEWSFNJECI-LBPRGKRZSA-N 1 2 243.272 3.448 20 0 BGADLO Cc1nc([C@H]2CCCC[N@H+]2CC2=CCCC2)no1 ZINC000645779343 387905245 /nfs/dbraw/zinc/90/52/45/387905245.db2.gz ZMXXSLUOZKQJNN-CYBMUJFWSA-N 1 2 247.342 3.015 20 0 BGADLO Cc1nc([C@H]2CCCC[N@@H+]2CC2=CCCC2)no1 ZINC000645779343 387905241 /nfs/dbraw/zinc/90/52/41/387905241.db2.gz ZMXXSLUOZKQJNN-CYBMUJFWSA-N 1 2 247.342 3.015 20 0 BGADLO Cc1nc([C@@H]2CCCC[N@H+]2CC2=CCCC2)no1 ZINC000645779344 387904202 /nfs/dbraw/zinc/90/42/02/387904202.db2.gz ZMXXSLUOZKQJNN-ZDUSSCGKSA-N 1 2 247.342 3.015 20 0 BGADLO Cc1nc([C@@H]2CCCC[N@@H+]2CC2=CCCC2)no1 ZINC000645779344 387904198 /nfs/dbraw/zinc/90/41/98/387904198.db2.gz ZMXXSLUOZKQJNN-ZDUSSCGKSA-N 1 2 247.342 3.015 20 0 BGADLO CCc1nc(C[N@@H+](C)CC2=CCCC2)cs1 ZINC000645781221 387906144 /nfs/dbraw/zinc/90/61/44/387906144.db2.gz MEMVNPINRFCLRH-UHFFFAOYSA-N 1 2 236.384 3.248 20 0 BGADLO CCc1nc(C[N@H+](C)CC2=CCCC2)cs1 ZINC000645781221 387906139 /nfs/dbraw/zinc/90/61/39/387906139.db2.gz MEMVNPINRFCLRH-UHFFFAOYSA-N 1 2 236.384 3.248 20 0 BGADLO CCC[N@H+](CC1=CCCC1)CC(F)F ZINC000645789348 387913629 /nfs/dbraw/zinc/91/36/29/387913629.db2.gz RHDLHBHBXDRBOE-UHFFFAOYSA-N 1 2 203.276 3.074 20 0 BGADLO CCC[N@@H+](CC1=CCCC1)CC(F)F ZINC000645789348 387913625 /nfs/dbraw/zinc/91/36/25/387913625.db2.gz RHDLHBHBXDRBOE-UHFFFAOYSA-N 1 2 203.276 3.074 20 0 BGADLO Cc1ccc([C@@H]2COCC[N@H+]2CC2=CCCC2)o1 ZINC000645805044 387949533 /nfs/dbraw/zinc/94/95/33/387949533.db2.gz MEEYHJCXYZUNEY-AWEZNQCLSA-N 1 2 247.338 3.072 20 0 BGADLO Cc1ccc([C@@H]2COCC[N@@H+]2CC2=CCCC2)o1 ZINC000645805044 387949529 /nfs/dbraw/zinc/94/95/29/387949529.db2.gz MEEYHJCXYZUNEY-AWEZNQCLSA-N 1 2 247.338 3.072 20 0 BGADLO Cc1ccc([C@H]2COCC[N@H+]2CC2=CCCC2)o1 ZINC000645805045 387949776 /nfs/dbraw/zinc/94/97/76/387949776.db2.gz MEEYHJCXYZUNEY-CQSZACIVSA-N 1 2 247.338 3.072 20 0 BGADLO Cc1ccc([C@H]2COCC[N@@H+]2CC2=CCCC2)o1 ZINC000645805045 387949771 /nfs/dbraw/zinc/94/97/71/387949771.db2.gz MEEYHJCXYZUNEY-CQSZACIVSA-N 1 2 247.338 3.072 20 0 BGADLO c1cc([C@@H]2C[N@@H+](CC3=CCCC3)CCO2)cs1 ZINC000645814285 387988888 /nfs/dbraw/zinc/98/88/88/387988888.db2.gz DMDIINKBHJNLPX-AWEZNQCLSA-N 1 2 249.379 3.232 20 0 BGADLO c1cc([C@@H]2C[N@H+](CC3=CCCC3)CCO2)cs1 ZINC000645814285 387988885 /nfs/dbraw/zinc/98/88/85/387988885.db2.gz DMDIINKBHJNLPX-AWEZNQCLSA-N 1 2 249.379 3.232 20 0 BGADLO c1cc([C@H]2C[N@@H+](CC3=CCCC3)CCO2)cs1 ZINC000645814286 387989862 /nfs/dbraw/zinc/98/98/62/387989862.db2.gz DMDIINKBHJNLPX-CQSZACIVSA-N 1 2 249.379 3.232 20 0 BGADLO c1cc([C@H]2C[N@H+](CC3=CCCC3)CCO2)cs1 ZINC000645814286 387989858 /nfs/dbraw/zinc/98/98/58/387989858.db2.gz DMDIINKBHJNLPX-CQSZACIVSA-N 1 2 249.379 3.232 20 0 BGADLO CC(C)[N@H+](CC1=CCCC1)CC(F)F ZINC000645816305 387997874 /nfs/dbraw/zinc/99/78/74/387997874.db2.gz KKXVDAFZTNDDMQ-UHFFFAOYSA-N 1 2 203.276 3.072 20 0 BGADLO CC(C)[N@@H+](CC1=CCCC1)CC(F)F ZINC000645816305 387997871 /nfs/dbraw/zinc/99/78/71/387997871.db2.gz KKXVDAFZTNDDMQ-UHFFFAOYSA-N 1 2 203.276 3.072 20 0 BGADLO CC[N@@H+](CCC[C@H]1CCOC1)c1ccccc1 ZINC000645819868 388009324 /nfs/dbraw/zinc/00/93/24/388009324.db2.gz LYBUTFSJRBZICG-AWEZNQCLSA-N 1 2 233.355 3.330 20 0 BGADLO CC[N@H+](CCC[C@H]1CCOC1)c1ccccc1 ZINC000645819868 388009320 /nfs/dbraw/zinc/00/93/20/388009320.db2.gz LYBUTFSJRBZICG-AWEZNQCLSA-N 1 2 233.355 3.330 20 0 BGADLO CC[N@@H+](CCC[C@@H]1CCOC1)c1ccccc1 ZINC000645819869 388009729 /nfs/dbraw/zinc/00/97/29/388009729.db2.gz LYBUTFSJRBZICG-CQSZACIVSA-N 1 2 233.355 3.330 20 0 BGADLO CC[N@H+](CCC[C@@H]1CCOC1)c1ccccc1 ZINC000645819869 388009723 /nfs/dbraw/zinc/00/97/23/388009723.db2.gz LYBUTFSJRBZICG-CQSZACIVSA-N 1 2 233.355 3.330 20 0 BGADLO FC(F)C[N@H+](CC1=CCCC1)CC1CCC1 ZINC000645842837 387798058 /nfs/dbraw/zinc/79/80/58/387798058.db2.gz UOOHGKNRVYSTAH-UHFFFAOYSA-N 1 2 229.314 3.464 20 0 BGADLO FC(F)C[N@@H+](CC1=CCCC1)CC1CCC1 ZINC000645842837 387798054 /nfs/dbraw/zinc/79/80/54/387798054.db2.gz UOOHGKNRVYSTAH-UHFFFAOYSA-N 1 2 229.314 3.464 20 0 BGADLO Fc1cccc(F)c1CC[N@@H+]1CCC=C(F)C1 ZINC000645845158 387828101 /nfs/dbraw/zinc/82/81/01/387828101.db2.gz MLUZTEKXMJVJEM-UHFFFAOYSA-N 1 2 241.256 3.066 20 0 BGADLO Fc1cccc(F)c1CC[N@H+]1CCC=C(F)C1 ZINC000645845158 387828096 /nfs/dbraw/zinc/82/80/96/387828096.db2.gz MLUZTEKXMJVJEM-UHFFFAOYSA-N 1 2 241.256 3.066 20 0 BGADLO FC(F)[C@H]1CCCC[N@H+]1CC1=CCCC1 ZINC000645898061 388066819 /nfs/dbraw/zinc/06/68/19/388066819.db2.gz SUIFUVAEOBMLSX-LLVKDONJSA-N 1 2 215.287 3.216 20 0 BGADLO FC(F)[C@H]1CCCC[N@@H+]1CC1=CCCC1 ZINC000645898061 388066816 /nfs/dbraw/zinc/06/68/16/388066816.db2.gz SUIFUVAEOBMLSX-LLVKDONJSA-N 1 2 215.287 3.216 20 0 BGADLO FC(F)[C@@H]1CCCC[N@H+]1CC1=CCCC1 ZINC000645898062 388067015 /nfs/dbraw/zinc/06/70/15/388067015.db2.gz SUIFUVAEOBMLSX-NSHDSACASA-N 1 2 215.287 3.216 20 0 BGADLO FC(F)[C@@H]1CCCC[N@@H+]1CC1=CCCC1 ZINC000645898062 388067011 /nfs/dbraw/zinc/06/70/11/388067011.db2.gz SUIFUVAEOBMLSX-NSHDSACASA-N 1 2 215.287 3.216 20 0 BGADLO CC(=O)c1ccc2c(c1)C[N@H+](CC1=CCCC1)C2 ZINC000645928374 388166890 /nfs/dbraw/zinc/16/68/90/388166890.db2.gz ZOQDRFZMZAAUEQ-UHFFFAOYSA-N 1 2 241.334 3.315 20 0 BGADLO CC(=O)c1ccc2c(c1)C[N@@H+](CC1=CCCC1)C2 ZINC000645928374 388166889 /nfs/dbraw/zinc/16/68/89/388166889.db2.gz ZOQDRFZMZAAUEQ-UHFFFAOYSA-N 1 2 241.334 3.315 20 0 BGADLO Clc1ccccc1C1([NH2+]Cc2ccno2)CC1 ZINC000645976469 388113465 /nfs/dbraw/zinc/11/34/65/388113465.db2.gz DZFSBTKOULZYII-UHFFFAOYSA-N 1 2 248.713 3.107 20 0 BGADLO Clc1ccccc1C1([NH2+]Cc2ccon2)CC1 ZINC000645977008 388113040 /nfs/dbraw/zinc/11/30/40/388113040.db2.gz JXYFBMUULFHIGC-UHFFFAOYSA-N 1 2 248.713 3.107 20 0 BGADLO Cc1cc(C[NH2+]C2(c3ccccc3C)CC2)no1 ZINC000645979004 388114038 /nfs/dbraw/zinc/11/40/38/388114038.db2.gz MMQLKZOEYJSUSG-UHFFFAOYSA-N 1 2 242.322 3.070 20 0 BGADLO Cc1ccccc1C1([NH2+]Cc2cscn2)CC1 ZINC000645979099 388114372 /nfs/dbraw/zinc/11/43/72/388114372.db2.gz VXTIJDHSJQCOIH-UHFFFAOYSA-N 1 2 244.363 3.230 20 0 BGADLO Cc1cnc(C[NH2+]C2(c3ccccc3C)CC2)o1 ZINC000645979767 388114415 /nfs/dbraw/zinc/11/44/15/388114415.db2.gz CYMXYEZPWHBNPE-UHFFFAOYSA-N 1 2 242.322 3.070 20 0 BGADLO Fc1cccc(C2([NH2+]CC(F)F)CCC2)c1 ZINC000646001850 388123254 /nfs/dbraw/zinc/12/32/54/388123254.db2.gz SKCBDYZJKMCLGB-UHFFFAOYSA-N 1 2 229.245 3.060 20 0 BGADLO Cc1cccc(C2([NH2+]CC(F)F)CCC2)c1 ZINC000646021746 388125448 /nfs/dbraw/zinc/12/54/48/388125448.db2.gz ZEMONRGFGSBNDG-UHFFFAOYSA-N 1 2 225.282 3.229 20 0 BGADLO CC(C)c1nc(C[N@@H+](C)CCC(C)(C)C)no1 ZINC000646028029 388128207 /nfs/dbraw/zinc/12/82/07/388128207.db2.gz YBOAAHZBFOGRLU-UHFFFAOYSA-N 1 2 239.363 3.061 20 0 BGADLO CC(C)c1nc(C[N@H+](C)CCC(C)(C)C)no1 ZINC000646028029 388128205 /nfs/dbraw/zinc/12/82/05/388128205.db2.gz YBOAAHZBFOGRLU-UHFFFAOYSA-N 1 2 239.363 3.061 20 0 BGADLO CCC(C)(CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000646047041 388132361 /nfs/dbraw/zinc/13/23/61/388132361.db2.gz JZVFIOPURNDIKH-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO Cc1ccc(C[N@@H+](Cc2conc2C)C2CC2)o1 ZINC000646052813 388133669 /nfs/dbraw/zinc/13/36/69/388133669.db2.gz PZROUELIAPNYOI-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1ccc(C[N@H+](Cc2conc2C)C2CC2)o1 ZINC000646052813 388133667 /nfs/dbraw/zinc/13/36/67/388133667.db2.gz PZROUELIAPNYOI-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1nocc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000646094952 388141417 /nfs/dbraw/zinc/14/14/17/388141417.db2.gz WOLVZXGPLFAQCY-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1nocc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000646094952 388141414 /nfs/dbraw/zinc/14/14/14/388141414.db2.gz WOLVZXGPLFAQCY-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1nocc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000646094953 388141683 /nfs/dbraw/zinc/14/16/83/388141683.db2.gz WOLVZXGPLFAQCY-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1nocc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000646094953 388141681 /nfs/dbraw/zinc/14/16/81/388141681.db2.gz WOLVZXGPLFAQCY-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO CC[C@@H]([NH2+]Cc1ncccn1)c1csc(C)c1 ZINC000646127948 388149352 /nfs/dbraw/zinc/14/93/52/388149352.db2.gz YHLKGTFHBAIHJX-GFCCVEGCSA-N 1 2 247.367 3.087 20 0 BGADLO CC[C@H]([NH2+]Cc1ncccn1)c1csc(C)c1 ZINC000646127949 388149484 /nfs/dbraw/zinc/14/94/84/388149484.db2.gz YHLKGTFHBAIHJX-LBPRGKRZSA-N 1 2 247.367 3.087 20 0 BGADLO Cc1ccc(C2([NH2+]CC(F)F)CCC2)cc1 ZINC000646129654 388150143 /nfs/dbraw/zinc/15/01/43/388150143.db2.gz DLOHXELKBVAOEJ-UHFFFAOYSA-N 1 2 225.282 3.229 20 0 BGADLO COc1ccc(N[C@@H]2CC=C(C)CC2)[nH+]c1 ZINC000646145772 388156682 /nfs/dbraw/zinc/15/66/82/388156682.db2.gz XSKKLZKFCICBLE-LLVKDONJSA-N 1 2 218.300 3.001 20 0 BGADLO COc1ccc(N[C@H]2CC=C(C)CC2)[nH+]c1 ZINC000646145773 388156530 /nfs/dbraw/zinc/15/65/30/388156530.db2.gz XSKKLZKFCICBLE-NSHDSACASA-N 1 2 218.300 3.001 20 0 BGADLO c1cn(-c2cccc(OCC3=CCCC3)c2)c[nH+]1 ZINC000647157639 384052882 /nfs/dbraw/zinc/05/28/82/384052882.db2.gz MKTLMSKSBXSOIR-UHFFFAOYSA-N 1 2 240.306 3.361 20 0 BGADLO c1cn(-c2ccccc2OCC2=CCCC2)c[nH+]1 ZINC000647157658 384051323 /nfs/dbraw/zinc/05/13/23/384051323.db2.gz NVERGNRFORKTNT-UHFFFAOYSA-N 1 2 240.306 3.361 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCC[C@@H]1CCOC1 ZINC000647158393 384080264 /nfs/dbraw/zinc/08/02/64/384080264.db2.gz CSEFLOQZHXABNF-CYBMUJFWSA-N 1 2 249.354 3.148 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCC[C@H]1CCOC1 ZINC000647158394 384079981 /nfs/dbraw/zinc/07/99/81/384079981.db2.gz CSEFLOQZHXABNF-ZDUSSCGKSA-N 1 2 249.354 3.148 20 0 BGADLO Clc1ccccc1C1([NH2+]Cc2cocn2)CC1 ZINC000647223892 398311138 /nfs/dbraw/zinc/31/11/38/398311138.db2.gz AQFYCRNRJFFWEF-UHFFFAOYSA-N 1 2 248.713 3.107 20 0 BGADLO Cc1ccc(NCc2c[nH+]cn2C)c(Cl)c1C ZINC000647227969 384484362 /nfs/dbraw/zinc/48/43/62/384484362.db2.gz ASRQEIFTHPETCG-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO Cc1ccc(NCc2[nH]cc[nH+]2)c(Cl)c1C ZINC000647228052 384482908 /nfs/dbraw/zinc/48/29/08/384482908.db2.gz FCEKHEAYAFHBBK-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO Cc1ccc(NCc2[nH+]ccn2C)c(Cl)c1C ZINC000647228186 384483580 /nfs/dbraw/zinc/48/35/80/384483580.db2.gz LMZXJLHDCNGQGI-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO CC[C@@H](C)C[NH2+]c1ccc(-n2nncc2C)cc1 ZINC000647237368 384852151 /nfs/dbraw/zinc/85/21/51/384852151.db2.gz VCOTWGYOFFLASZ-LLVKDONJSA-N 1 2 244.342 3.034 20 0 BGADLO CC[C@H](C)C[NH2+]c1ccc(-n2nncc2C)cc1 ZINC000647237369 384853781 /nfs/dbraw/zinc/85/37/81/384853781.db2.gz VCOTWGYOFFLASZ-NSHDSACASA-N 1 2 244.342 3.034 20 0 BGADLO Cc1cnnn1-c1ccc([NH2+]CC(C)(C)C)cc1 ZINC000647237748 384858414 /nfs/dbraw/zinc/85/84/14/384858414.db2.gz TVKLMYBAWJATDP-UHFFFAOYSA-N 1 2 244.342 3.034 20 0 BGADLO CCCc1csc(C[NH2+]C2(CF)CCC2)n1 ZINC000647254853 384007175 /nfs/dbraw/zinc/00/71/75/384007175.db2.gz DEWDJXTZKNNFRG-UHFFFAOYSA-N 1 2 242.363 3.077 20 0 BGADLO Cc1ccc(NC2CCC(F)(F)CC2)c[nH+]1 ZINC000647297004 384950254 /nfs/dbraw/zinc/95/02/54/384950254.db2.gz HUWIHKZGQBZDPK-UHFFFAOYSA-N 1 2 226.270 3.380 20 0 BGADLO Cc1[nH+]cccc1NC1CCC(F)(F)CC1 ZINC000647297454 384957732 /nfs/dbraw/zinc/95/77/32/384957732.db2.gz DIXHKRPIYJUHOR-UHFFFAOYSA-N 1 2 226.270 3.380 20 0 BGADLO Cc1c[nH+]cc(NC2CCC(F)(F)CC2)c1 ZINC000647297729 384952275 /nfs/dbraw/zinc/95/22/75/384952275.db2.gz ZRLMUXVJUZCAJF-UHFFFAOYSA-N 1 2 226.270 3.380 20 0 BGADLO CC[C@H]([NH2+]C1CCC(F)(F)CC1)C(F)(F)F ZINC000647301236 385073119 /nfs/dbraw/zinc/07/31/19/385073119.db2.gz ZQBMUHCQXVKVEK-QMMMGPOBSA-N 1 2 245.235 3.495 20 0 BGADLO CC(C)C[C@@H]([NH2+]CC(C)(F)F)c1ccncc1 ZINC000647304785 385176582 /nfs/dbraw/zinc/17/65/82/385176582.db2.gz GBFAMKHYKLJHNK-GFCCVEGCSA-N 1 2 242.313 3.414 20 0 BGADLO CC(C)C[C@H]([NH2+]CC(C)(F)F)c1ccncc1 ZINC000647304786 385178033 /nfs/dbraw/zinc/17/80/33/385178033.db2.gz GBFAMKHYKLJHNK-LBPRGKRZSA-N 1 2 242.313 3.414 20 0 BGADLO FC1CC2(C1)C[NH+](Cc1sccc1Cl)C2 ZINC000647929888 386117150 /nfs/dbraw/zinc/11/71/50/386117150.db2.gz IHNLYTCBUOIHFC-UHFFFAOYSA-N 1 2 245.750 3.335 20 0 BGADLO Fc1cc(Cl)ccc1C[NH+]1CC(C(F)F)C1 ZINC000647930068 386135286 /nfs/dbraw/zinc/13/52/86/386135286.db2.gz NSVXTXBRSSFWFX-UHFFFAOYSA-N 1 2 249.663 3.176 20 0 BGADLO Fc1ccc(C[NH+]2CC(C(F)F)C2)cc1Cl ZINC000647930096 386136278 /nfs/dbraw/zinc/13/62/78/386136278.db2.gz PBGPXBZIDCWBOH-UHFFFAOYSA-N 1 2 249.663 3.176 20 0 BGADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)co1 ZINC000647955273 398171926 /nfs/dbraw/zinc/17/19/26/398171926.db2.gz KDLQRDQYIQYMQZ-JTQLQIEISA-N 1 2 248.301 3.315 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)co1 ZINC000647955273 398171922 /nfs/dbraw/zinc/17/19/22/398171922.db2.gz KDLQRDQYIQYMQZ-JTQLQIEISA-N 1 2 248.301 3.315 20 0 BGADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)co1 ZINC000647955274 398171722 /nfs/dbraw/zinc/17/17/22/398171722.db2.gz KDLQRDQYIQYMQZ-SNVBAGLBSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)co1 ZINC000647955274 398171718 /nfs/dbraw/zinc/17/17/18/398171718.db2.gz KDLQRDQYIQYMQZ-SNVBAGLBSA-N 1 2 248.301 3.315 20 0 BGADLO CC[N@@H+](Cc1coc(C)n1)Cc1ccccc1 ZINC000647955462 386682465 /nfs/dbraw/zinc/68/24/65/386682465.db2.gz BAKSARXSEDNVFN-UHFFFAOYSA-N 1 2 230.311 3.005 20 0 BGADLO CC[N@H+](Cc1coc(C)n1)Cc1ccccc1 ZINC000647955462 386682460 /nfs/dbraw/zinc/68/24/60/386682460.db2.gz BAKSARXSEDNVFN-UHFFFAOYSA-N 1 2 230.311 3.005 20 0 BGADLO Cc1nc(C[N@@H+](Cc2ccccc2)C2CC2)co1 ZINC000647955825 411495876 /nfs/dbraw/zinc/49/58/76/411495876.db2.gz HZXBKNPGVSECOM-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO Cc1nc(C[N@H+](Cc2ccccc2)C2CC2)co1 ZINC000647955825 411495871 /nfs/dbraw/zinc/49/58/71/411495871.db2.gz HZXBKNPGVSECOM-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO CC[N@H+](Cc1coc(C)n1)Cc1cccs1 ZINC000647956383 386690016 /nfs/dbraw/zinc/69/00/16/386690016.db2.gz NHSWGAXGCJCLBX-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CC[N@@H+](Cc1coc(C)n1)Cc1cccs1 ZINC000647956383 386690013 /nfs/dbraw/zinc/69/00/13/386690013.db2.gz NHSWGAXGCJCLBX-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO Cc1nc(C[N@@H+](Cc2cccs2)C2CC2)co1 ZINC000647956539 386689047 /nfs/dbraw/zinc/68/90/47/386689047.db2.gz YNMKEWJPCGYBCW-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO Cc1nc(C[N@H+](Cc2cccs2)C2CC2)co1 ZINC000647956539 386689041 /nfs/dbraw/zinc/68/90/41/386689041.db2.gz YNMKEWJPCGYBCW-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccccc2)co1 ZINC000647957431 398174740 /nfs/dbraw/zinc/17/47/40/398174740.db2.gz SFHUFIBLYSIBHI-LLVKDONJSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccccc2)co1 ZINC000647957431 398174735 /nfs/dbraw/zinc/17/47/35/398174735.db2.gz SFHUFIBLYSIBHI-LLVKDONJSA-N 1 2 230.311 3.176 20 0 BGADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccccc2)co1 ZINC000647957432 398174342 /nfs/dbraw/zinc/17/43/42/398174342.db2.gz SFHUFIBLYSIBHI-NSHDSACASA-N 1 2 230.311 3.176 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccccc2)co1 ZINC000647957432 398174338 /nfs/dbraw/zinc/17/43/38/398174338.db2.gz SFHUFIBLYSIBHI-NSHDSACASA-N 1 2 230.311 3.176 20 0 BGADLO Cc1nc(C[N@H+](C)[C@H](C)c2cccs2)co1 ZINC000647958778 386703958 /nfs/dbraw/zinc/70/39/58/386703958.db2.gz BCUWJXJMRUWKNW-SECBINFHSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@H](C)c2cccs2)co1 ZINC000647958778 386703950 /nfs/dbraw/zinc/70/39/50/386703950.db2.gz BCUWJXJMRUWKNW-SECBINFHSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1nc(C[N@H+](C)[C@@H](C)c2cccs2)co1 ZINC000647958779 386702970 /nfs/dbraw/zinc/70/29/70/386702970.db2.gz BCUWJXJMRUWKNW-VIFPVBQESA-N 1 2 236.340 3.238 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2cccs2)co1 ZINC000647958779 386702968 /nfs/dbraw/zinc/70/29/68/386702968.db2.gz BCUWJXJMRUWKNW-VIFPVBQESA-N 1 2 236.340 3.238 20 0 BGADLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)co1 ZINC000647966518 387011963 /nfs/dbraw/zinc/01/19/63/387011963.db2.gz WWAYLDOQSQKQOR-ABAIWWIYSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1nc(C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)co1 ZINC000647966518 387011957 /nfs/dbraw/zinc/01/19/57/387011957.db2.gz WWAYLDOQSQKQOR-ABAIWWIYSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1nc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)co1 ZINC000647966519 387012558 /nfs/dbraw/zinc/01/25/58/387012558.db2.gz WWAYLDOQSQKQOR-IAQYHMDHSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1nc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)co1 ZINC000647966519 387012556 /nfs/dbraw/zinc/01/25/56/387012556.db2.gz WWAYLDOQSQKQOR-IAQYHMDHSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1nc(C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)co1 ZINC000647966520 387012085 /nfs/dbraw/zinc/01/20/85/387012085.db2.gz WWAYLDOQSQKQOR-NHYWBVRUSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1nc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)co1 ZINC000647966520 387012081 /nfs/dbraw/zinc/01/20/81/387012081.db2.gz WWAYLDOQSQKQOR-NHYWBVRUSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1nc(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)co1 ZINC000647966521 387013354 /nfs/dbraw/zinc/01/33/54/387013354.db2.gz WWAYLDOQSQKQOR-XHDPSFHLSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1nc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)co1 ZINC000647966521 387013353 /nfs/dbraw/zinc/01/33/53/387013353.db2.gz WWAYLDOQSQKQOR-XHDPSFHLSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1nc(C[NH2+]C(C)(C)c2cccc(F)c2)co1 ZINC000647970117 386350219 /nfs/dbraw/zinc/35/02/19/386350219.db2.gz DDZQJPBGBZEWJK-UHFFFAOYSA-N 1 2 248.301 3.147 20 0 BGADLO CC1(CC(F)F)C[NH+](Cc2ccc(Cl)o2)C1 ZINC000648058700 386682285 /nfs/dbraw/zinc/68/22/85/386682285.db2.gz YZEDQRSNAIAOMR-UHFFFAOYSA-N 1 2 249.688 3.410 20 0 BGADLO CCC(CC)[NH2+]c1ccc(-n2nncc2C)cc1 ZINC000648059292 386677191 /nfs/dbraw/zinc/67/71/91/386677191.db2.gz HWNGJSBJWBYWHA-UHFFFAOYSA-N 1 2 244.342 3.176 20 0 BGADLO Cc1cnnn1-c1ccc([NH2+][C@H](C)C(C)C)cc1 ZINC000648059578 386684142 /nfs/dbraw/zinc/68/41/42/386684142.db2.gz VEXLOMKRCQSWSP-GFCCVEGCSA-N 1 2 244.342 3.032 20 0 BGADLO Cc1cnnn1-c1ccc([NH2+][C@@H](C)C(C)C)cc1 ZINC000648059579 386685384 /nfs/dbraw/zinc/68/53/84/386685384.db2.gz VEXLOMKRCQSWSP-LBPRGKRZSA-N 1 2 244.342 3.032 20 0 BGADLO CC(C)CCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000648313624 385173383 /nfs/dbraw/zinc/17/33/83/385173383.db2.gz OSXAOCSYZWBFES-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO COc1ccc(N[C@@H]2CCCC23CCC3)[nH+]c1 ZINC000648481846 387379534 /nfs/dbraw/zinc/37/95/34/387379534.db2.gz OCUCZVRMPUTXHU-GFCCVEGCSA-N 1 2 232.327 3.225 20 0 BGADLO COc1ccc(N[C@H]2CCCC23CCC3)[nH+]c1 ZINC000648481847 387379931 /nfs/dbraw/zinc/37/99/31/387379931.db2.gz OCUCZVRMPUTXHU-LBPRGKRZSA-N 1 2 232.327 3.225 20 0 BGADLO Cc1ccc(N[C@H]2C[C@@H](C)O[C@@H](C)C2)c(C)[nH+]1 ZINC000648484635 387383258 /nfs/dbraw/zinc/38/32/58/387383258.db2.gz IFTHOZCLNMBTTK-PJXYFTJBSA-N 1 2 234.343 3.066 20 0 BGADLO Cc1cccc(C[NH2+]C(C)(C)C(F)F)c1F ZINC000648562966 387342379 /nfs/dbraw/zinc/34/23/79/387342379.db2.gz CBIMRGANSMEHKA-UHFFFAOYSA-N 1 2 231.261 3.267 20 0 BGADLO COc1cc(C)ccc1C[NH2+]C(C)(C)C(F)F ZINC000648563020 387342754 /nfs/dbraw/zinc/34/27/54/387342754.db2.gz HMZZTUULGBVVOM-UHFFFAOYSA-N 1 2 243.297 3.137 20 0 BGADLO Cc1cc(C[NH2+]C(C)(C)C(F)F)cs1 ZINC000648563182 387341256 /nfs/dbraw/zinc/34/12/56/387341256.db2.gz YNCZFWAVSWVSEH-UHFFFAOYSA-N 1 2 219.300 3.190 20 0 BGADLO Cc1cnccc1C[NH2+]C1(C(F)F)CCCC1 ZINC000648589695 387359182 /nfs/dbraw/zinc/35/91/82/387359182.db2.gz IVKMVXUUHIFZCV-UHFFFAOYSA-N 1 2 240.297 3.058 20 0 BGADLO CC(F)(F)C[NH2+]Cc1cccc2ccoc21 ZINC000648594446 387367071 /nfs/dbraw/zinc/36/70/71/387367071.db2.gz QLBHFBIYSIXIRY-UHFFFAOYSA-N 1 2 225.238 3.178 20 0 BGADLO CC(C)[N@@H+](Cc1cscc1Cl)C1COC1 ZINC000648606441 387381506 /nfs/dbraw/zinc/38/15/06/387381506.db2.gz AQIHSNGFITVOCO-UHFFFAOYSA-N 1 2 245.775 3.011 20 0 BGADLO CC(C)[N@H+](Cc1cscc1Cl)C1COC1 ZINC000648606441 387381502 /nfs/dbraw/zinc/38/15/02/387381502.db2.gz AQIHSNGFITVOCO-UHFFFAOYSA-N 1 2 245.775 3.011 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc2ccccc2[nH]1)C(F)F ZINC000648620135 387586656 /nfs/dbraw/zinc/58/66/56/387586656.db2.gz OAVSLNKGTMVZSY-LLVKDONJSA-N 1 2 238.281 3.301 20 0 BGADLO CC[C@H]([NH2+]Cc1cc2ccccc2[nH]1)C(F)F ZINC000648620136 387586097 /nfs/dbraw/zinc/58/60/97/387586097.db2.gz OAVSLNKGTMVZSY-NSHDSACASA-N 1 2 238.281 3.301 20 0 BGADLO CC[C@@H]([NH2+][C@@H]1CCCc2cccnc21)C(F)F ZINC000648620169 387584829 /nfs/dbraw/zinc/58/48/29/387584829.db2.gz YPAIRXCORPUQET-GHMZBOCLSA-N 1 2 240.297 3.092 20 0 BGADLO CC[C@@H]([NH2+][C@H]1CCCc2cccnc21)C(F)F ZINC000648620170 387584760 /nfs/dbraw/zinc/58/47/60/387584760.db2.gz YPAIRXCORPUQET-MNOVXSKESA-N 1 2 240.297 3.092 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCCc2cccnc21)C(F)F ZINC000648620171 387584809 /nfs/dbraw/zinc/58/48/09/387584809.db2.gz YPAIRXCORPUQET-QWRGUYRKSA-N 1 2 240.297 3.092 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCCc2cccnc21)C(F)F ZINC000648620172 387585046 /nfs/dbraw/zinc/58/50/46/387585046.db2.gz YPAIRXCORPUQET-WDEREUQCSA-N 1 2 240.297 3.092 20 0 BGADLO CC(C)CC[N@@H+](C)Cc1nnc(C(C)C)s1 ZINC000649251426 388470611 /nfs/dbraw/zinc/47/06/11/388470611.db2.gz CZXJWURXOGBQAP-UHFFFAOYSA-N 1 2 241.404 3.139 20 0 BGADLO CC(C)CC[N@H+](C)Cc1nnc(C(C)C)s1 ZINC000649251426 388470610 /nfs/dbraw/zinc/47/06/10/388470610.db2.gz CZXJWURXOGBQAP-UHFFFAOYSA-N 1 2 241.404 3.139 20 0 BGADLO COc1cccc2c1cc[nH+]c2N1CC=CCC1 ZINC000649320118 398143360 /nfs/dbraw/zinc/14/33/60/398143360.db2.gz BRMQGYQOUPUBFJ-UHFFFAOYSA-N 1 2 240.306 3.010 20 0 BGADLO Cc1cccc(Cl)c1C[N@@H+](C)Cc1cn[nH]c1 ZINC000649385691 398191692 /nfs/dbraw/zinc/19/16/92/398191692.db2.gz DLIRHYXKBMYBCR-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cccc(Cl)c1C[N@H+](C)Cc1cn[nH]c1 ZINC000649385691 398191689 /nfs/dbraw/zinc/19/16/89/398191689.db2.gz DLIRHYXKBMYBCR-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO CC[C@H](C)[C@H](CNc1cc2cc[nH]c2c[nH+]1)OC ZINC000649396289 398197839 /nfs/dbraw/zinc/19/78/39/398197839.db2.gz HNNYTZIYJKBFCS-GWCFXTLKSA-N 1 2 247.342 3.036 20 0 BGADLO CC[C@H](C)[C@@H](CNc1cc2cc[nH]c2c[nH+]1)OC ZINC000649396290 398197614 /nfs/dbraw/zinc/19/76/14/398197614.db2.gz HNNYTZIYJKBFCS-GXFFZTMASA-N 1 2 247.342 3.036 20 0 BGADLO CC[C@@H](C)[C@H](CNc1cc2cc[nH]c2c[nH+]1)OC ZINC000649396291 398197832 /nfs/dbraw/zinc/19/78/32/398197832.db2.gz HNNYTZIYJKBFCS-MFKMUULPSA-N 1 2 247.342 3.036 20 0 BGADLO CC[C@@H](C)[C@@H](CNc1cc2cc[nH]c2c[nH+]1)OC ZINC000649396292 398197639 /nfs/dbraw/zinc/19/76/39/398197639.db2.gz HNNYTZIYJKBFCS-ZWNOBZJWSA-N 1 2 247.342 3.036 20 0 BGADLO CCC1(Nc2cc[nH+]c(C(C)(C)C)n2)CC1 ZINC000649402745 398205550 /nfs/dbraw/zinc/20/55/50/398205550.db2.gz ONRMHVGAVJFOGZ-UHFFFAOYSA-N 1 2 219.332 3.129 20 0 BGADLO CC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000649416316 398216152 /nfs/dbraw/zinc/21/61/52/398216152.db2.gz JCFKENSGDSKXAE-ABAIWWIYSA-N 1 2 249.329 3.069 20 0 BGADLO CC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000649416316 398216149 /nfs/dbraw/zinc/21/61/49/398216149.db2.gz JCFKENSGDSKXAE-ABAIWWIYSA-N 1 2 249.329 3.069 20 0 BGADLO CC(=O)c1cccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1 ZINC000649416317 398216017 /nfs/dbraw/zinc/21/60/17/398216017.db2.gz JCFKENSGDSKXAE-IAQYHMDHSA-N 1 2 249.329 3.069 20 0 BGADLO CC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c1 ZINC000649416317 398216014 /nfs/dbraw/zinc/21/60/14/398216014.db2.gz JCFKENSGDSKXAE-IAQYHMDHSA-N 1 2 249.329 3.069 20 0 BGADLO CC(=O)c1cccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c1 ZINC000649416318 398215790 /nfs/dbraw/zinc/21/57/90/398215790.db2.gz JCFKENSGDSKXAE-NHYWBVRUSA-N 1 2 249.329 3.069 20 0 BGADLO CC(=O)c1cccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c1 ZINC000649416318 398215788 /nfs/dbraw/zinc/21/57/88/398215788.db2.gz JCFKENSGDSKXAE-NHYWBVRUSA-N 1 2 249.329 3.069 20 0 BGADLO CC(=O)c1cccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c1 ZINC000649416319 398216302 /nfs/dbraw/zinc/21/63/02/398216302.db2.gz JCFKENSGDSKXAE-XHDPSFHLSA-N 1 2 249.329 3.069 20 0 BGADLO CC(=O)c1cccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c1 ZINC000649416319 398216299 /nfs/dbraw/zinc/21/62/99/398216299.db2.gz JCFKENSGDSKXAE-XHDPSFHLSA-N 1 2 249.329 3.069 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CC[C@H](F)C1 ZINC000649419723 398220682 /nfs/dbraw/zinc/22/06/82/398220682.db2.gz NJMHAWATYZSUEJ-LBPRGKRZSA-N 1 2 230.286 3.091 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CC[C@@H](F)C1 ZINC000649420303 398219463 /nfs/dbraw/zinc/21/94/63/398219463.db2.gz NJMHAWATYZSUEJ-GFCCVEGCSA-N 1 2 230.286 3.091 20 0 BGADLO CC(C)c1cccc(-c2c[nH+]cn2C)c1 ZINC000649423940 398225045 /nfs/dbraw/zinc/22/50/45/398225045.db2.gz BMEZJICXPPRYPI-UHFFFAOYSA-N 1 2 200.285 3.211 20 0 BGADLO c1c[nH+]c(-c2cccc(OC3CCCC3)c2)[nH]1 ZINC000649425284 398227417 /nfs/dbraw/zinc/22/74/17/398227417.db2.gz LCZQTFOYAYRXRY-UHFFFAOYSA-N 1 2 228.295 3.398 20 0 BGADLO c1[nH]cc(-c2cccc(OC3CCCC3)c2)[nH+]1 ZINC000649425290 398227190 /nfs/dbraw/zinc/22/71/90/398227190.db2.gz LHMOKHYSODOALZ-UHFFFAOYSA-N 1 2 228.295 3.398 20 0 BGADLO Cn1c[nH+]cc1-c1cccc(OC2CCCC2)c1 ZINC000649425515 398227932 /nfs/dbraw/zinc/22/79/32/398227932.db2.gz VXFCLUCLARVBPT-UHFFFAOYSA-N 1 2 242.322 3.409 20 0 BGADLO CC(C)(C)Oc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000649426714 398231073 /nfs/dbraw/zinc/23/10/73/398231073.db2.gz PVUDHIRYVSIKDY-UHFFFAOYSA-N 1 2 216.284 3.254 20 0 BGADLO Cn1c[nH+]cc1-c1ccc(OC(C)(C)C)cc1 ZINC000649426858 398230838 /nfs/dbraw/zinc/23/08/38/398230838.db2.gz WIXXBFSSJSTDBE-UHFFFAOYSA-N 1 2 230.311 3.264 20 0 BGADLO CCCOc1ccc(-c2c[nH]c[nH+]2)c(F)c1 ZINC000649427297 398231412 /nfs/dbraw/zinc/23/14/12/398231412.db2.gz JEMCDNCMOJYXJK-UHFFFAOYSA-N 1 2 220.247 3.005 20 0 BGADLO CCCOc1ccc(-c2c[nH+]cn2C)c(F)c1 ZINC000649427481 398228637 /nfs/dbraw/zinc/22/86/37/398228637.db2.gz PHQZWOGXTWNHMI-UHFFFAOYSA-N 1 2 234.274 3.015 20 0 BGADLO CCCOc1ccc(-c2[nH]cc[nH+]2)c(F)c1 ZINC000649427675 398228614 /nfs/dbraw/zinc/22/86/14/398228614.db2.gz VNNINAGAZQFAFF-UHFFFAOYSA-N 1 2 220.247 3.005 20 0 BGADLO c1c[nH+]c(-c2ccc(OC3CCCC3)cc2)[nH]1 ZINC000649429542 398232825 /nfs/dbraw/zinc/23/28/25/398232825.db2.gz CDGNDMAHWNMEEW-UHFFFAOYSA-N 1 2 228.295 3.398 20 0 BGADLO Cn1c[nH+]cc1-c1ccc(OC2CCCC2)cc1 ZINC000649430180 398232796 /nfs/dbraw/zinc/23/27/96/398232796.db2.gz STXJMZLPIJXQHA-UHFFFAOYSA-N 1 2 242.322 3.409 20 0 BGADLO c1[nH]cc(-c2ccc(OC3CCCC3)cc2)[nH+]1 ZINC000649430365 398232967 /nfs/dbraw/zinc/23/29/67/398232967.db2.gz YCVFQMZDIOHJAB-UHFFFAOYSA-N 1 2 228.295 3.398 20 0 BGADLO Cn1c[nH+]cc1-c1ccc(C2CCC2)cc1 ZINC000649431582 398231472 /nfs/dbraw/zinc/23/14/72/398231472.db2.gz AXWODHBZQWSDSU-UHFFFAOYSA-N 1 2 212.296 3.355 20 0 BGADLO CC(C)OCc1cccc(-c2c[nH+]cn2C)c1 ZINC000649434270 398235320 /nfs/dbraw/zinc/23/53/20/398235320.db2.gz DMHMIYUCRHQYIR-UHFFFAOYSA-N 1 2 230.311 3.012 20 0 BGADLO CC(C)OCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000649434389 398235416 /nfs/dbraw/zinc/23/54/16/398235416.db2.gz JEQSDDDGIVSOAY-UHFFFAOYSA-N 1 2 216.284 3.002 20 0 BGADLO CC(C)OCc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000649434639 398236000 /nfs/dbraw/zinc/23/60/00/398236000.db2.gz TVIFFXOBCDJPHE-UHFFFAOYSA-N 1 2 216.284 3.002 20 0 BGADLO Cc1ccc(-c2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000649437844 398239702 /nfs/dbraw/zinc/23/97/02/398239702.db2.gz HBPNCYRZSDZYPV-UHFFFAOYSA-N 1 2 239.322 3.052 20 0 BGADLO c1ccc(-c2ccc(N3CCCC3)[nH+]c2)cc1 ZINC000649438126 398240020 /nfs/dbraw/zinc/24/00/20/398240020.db2.gz VIMSIUUEJCUXIE-UHFFFAOYSA-N 1 2 224.307 3.349 20 0 BGADLO c1cc(-c2ccc(N3CCCC3)[nH+]c2)cs1 ZINC000649438143 398240009 /nfs/dbraw/zinc/24/00/09/398240009.db2.gz VUWDPNWPNAGRCV-UHFFFAOYSA-N 1 2 230.336 3.410 20 0 BGADLO Cc1cncc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000649438623 398240407 /nfs/dbraw/zinc/24/04/07/398240407.db2.gz JPKZKFXFOOJHLB-UHFFFAOYSA-N 1 2 239.322 3.052 20 0 BGADLO Cn1c[nH+]cc1-c1ccc(C(C)(C)C)cc1 ZINC000649439154 398237535 /nfs/dbraw/zinc/23/75/35/398237535.db2.gz JYHIMEUZUPPYTA-UHFFFAOYSA-N 1 2 214.312 3.385 20 0 BGADLO Cc1noc(C)c1-c1ccc2c(c1)[nH+]c(C)n2C ZINC000649439677 398243726 /nfs/dbraw/zinc/24/37/26/398243726.db2.gz BNCIVCMWYMTISZ-UHFFFAOYSA-N 1 2 241.294 3.154 20 0 BGADLO Cc1[nH+]c2cc(-c3cc[nH]n3)ccc2n1C(C)C ZINC000649441723 398243291 /nfs/dbraw/zinc/24/32/91/398243291.db2.gz OTMITBRPBNCKRL-UHFFFAOYSA-N 1 2 240.310 3.316 20 0 BGADLO CC(C)=CCSc1[nH+]cc2ccccn21 ZINC000649471524 398271124 /nfs/dbraw/zinc/27/11/24/398271124.db2.gz RXDDOWLPGNHKHD-UHFFFAOYSA-N 1 2 218.325 3.393 20 0 BGADLO FC(F)OC1CCC(Nc2cccc[nH+]2)CC1 ZINC000649522892 397915700 /nfs/dbraw/zinc/91/57/00/397915700.db2.gz YTWVRYZJIJDKKS-UHFFFAOYSA-N 1 2 242.269 3.044 20 0 BGADLO CC[C@H](OCCn1cc[nH+]c1)c1ccccc1 ZINC000649553392 397948253 /nfs/dbraw/zinc/94/82/53/397948253.db2.gz OESZWJAMWNKQSC-AWEZNQCLSA-N 1 2 230.311 3.051 20 0 BGADLO CC[C@@H](OCCn1cc[nH+]c1)c1ccccc1 ZINC000649553393 397947690 /nfs/dbraw/zinc/94/76/90/397947690.db2.gz OESZWJAMWNKQSC-CQSZACIVSA-N 1 2 230.311 3.051 20 0 BGADLO Cc1ccccc1C1([NH2+]CC(F)F)CCC1 ZINC000649644541 398019257 /nfs/dbraw/zinc/01/92/57/398019257.db2.gz HRSRSCMMRQFFTD-UHFFFAOYSA-N 1 2 225.282 3.229 20 0 BGADLO Clc1cnc(C[N@H+]2CCC23CCCC3)s1 ZINC000649657703 398026050 /nfs/dbraw/zinc/02/60/50/398026050.db2.gz KJAUXCSJTFLUFK-UHFFFAOYSA-N 1 2 242.775 3.315 20 0 BGADLO Clc1cnc(C[N@@H+]2CCC23CCCC3)s1 ZINC000649657703 398026049 /nfs/dbraw/zinc/02/60/49/398026049.db2.gz KJAUXCSJTFLUFK-UHFFFAOYSA-N 1 2 242.775 3.315 20 0 BGADLO C[C@@H]([NH2+]CC(F)F)c1cccc(C2CC2)c1 ZINC000649687203 398036726 /nfs/dbraw/zinc/03/67/26/398036726.db2.gz HXZRUIADMBNUJR-SECBINFHSA-N 1 2 225.282 3.480 20 0 BGADLO C[C@H]([NH2+]CC(F)F)c1cccc(C2CC2)c1 ZINC000649687204 398036316 /nfs/dbraw/zinc/03/63/16/398036316.db2.gz HXZRUIADMBNUJR-VIFPVBQESA-N 1 2 225.282 3.480 20 0 BGADLO Cc1cccc(C[N@H+]2CCCC(F)(F)C2)c1 ZINC000649691513 398037377 /nfs/dbraw/zinc/03/73/77/398037377.db2.gz GTJUVYNAICCGBU-UHFFFAOYSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1cccc(C[N@@H+]2CCCC(F)(F)C2)c1 ZINC000649691513 398037369 /nfs/dbraw/zinc/03/73/69/398037369.db2.gz GTJUVYNAICCGBU-UHFFFAOYSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1ccccc1C[N@H+]1CCCC(F)(F)C1 ZINC000649691609 398037922 /nfs/dbraw/zinc/03/79/22/398037922.db2.gz KERVYRIVLJXUJE-UHFFFAOYSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1ccccc1C[N@@H+]1CCCC(F)(F)C1 ZINC000649691609 398037920 /nfs/dbraw/zinc/03/79/20/398037920.db2.gz KERVYRIVLJXUJE-UHFFFAOYSA-N 1 2 225.282 3.226 20 0 BGADLO FC1(F)CCC[N@@H+](CCCc2ccccc2)C1 ZINC000649692456 398040776 /nfs/dbraw/zinc/04/07/76/398040776.db2.gz RHIWTRGJCYETJF-UHFFFAOYSA-N 1 2 239.309 3.350 20 0 BGADLO FC1(F)CCC[N@H+](CCCc2ccccc2)C1 ZINC000649692456 398040770 /nfs/dbraw/zinc/04/07/70/398040770.db2.gz RHIWTRGJCYETJF-UHFFFAOYSA-N 1 2 239.309 3.350 20 0 BGADLO FC1(F)CC[C@@H](C[N@H+]2CCCC(F)(F)C2)C1 ZINC000649694977 398042857 /nfs/dbraw/zinc/04/28/57/398042857.db2.gz CAPRFZJCXITHND-SECBINFHSA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[C@@H](C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000649694977 398042855 /nfs/dbraw/zinc/04/28/55/398042855.db2.gz CAPRFZJCXITHND-SECBINFHSA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[C@H](C[N@H+]2CCCC(F)(F)C2)C1 ZINC000649694978 398042780 /nfs/dbraw/zinc/04/27/80/398042780.db2.gz CAPRFZJCXITHND-VIFPVBQESA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[C@H](C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000649694978 398042777 /nfs/dbraw/zinc/04/27/77/398042777.db2.gz CAPRFZJCXITHND-VIFPVBQESA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CCC[N@@H+](CCCc2ccsc2)C1 ZINC000649695232 398043087 /nfs/dbraw/zinc/04/30/87/398043087.db2.gz NIDSOHFRNVFFFB-UHFFFAOYSA-N 1 2 245.338 3.412 20 0 BGADLO FC1(F)CCC[N@H+](CCCc2ccsc2)C1 ZINC000649695232 398043085 /nfs/dbraw/zinc/04/30/85/398043085.db2.gz NIDSOHFRNVFFFB-UHFFFAOYSA-N 1 2 245.338 3.412 20 0 BGADLO FC1(F)CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000649695393 398043878 /nfs/dbraw/zinc/04/38/78/398043878.db2.gz UABXUAQKMMARAP-CHWSQXEVSA-N 1 2 237.293 3.274 20 0 BGADLO FC1(F)CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000649695393 398043872 /nfs/dbraw/zinc/04/38/72/398043872.db2.gz UABXUAQKMMARAP-CHWSQXEVSA-N 1 2 237.293 3.274 20 0 BGADLO CC(C)(C)OCCCC[N@H+]1CCCC(F)(F)C1 ZINC000649695416 398044148 /nfs/dbraw/zinc/04/41/48/398044148.db2.gz UQKODWXLDQSQAW-UHFFFAOYSA-N 1 2 249.345 3.313 20 0 BGADLO CC(C)(C)OCCCC[N@@H+]1CCCC(F)(F)C1 ZINC000649695416 398044145 /nfs/dbraw/zinc/04/41/45/398044145.db2.gz UQKODWXLDQSQAW-UHFFFAOYSA-N 1 2 249.345 3.313 20 0 BGADLO FC1(F)CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000649695439 398043610 /nfs/dbraw/zinc/04/36/10/398043610.db2.gz VJZQFCMJJYFEIH-CYBMUJFWSA-N 1 2 237.293 3.405 20 0 BGADLO FC1(F)CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000649695439 398043607 /nfs/dbraw/zinc/04/36/07/398043607.db2.gz VJZQFCMJJYFEIH-CYBMUJFWSA-N 1 2 237.293 3.405 20 0 BGADLO FC1(F)CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000649695440 398043723 /nfs/dbraw/zinc/04/37/23/398043723.db2.gz VJZQFCMJJYFEIH-ZDUSSCGKSA-N 1 2 237.293 3.405 20 0 BGADLO FC1(F)CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000649695440 398043721 /nfs/dbraw/zinc/04/37/21/398043721.db2.gz VJZQFCMJJYFEIH-ZDUSSCGKSA-N 1 2 237.293 3.405 20 0 BGADLO CC/C=C\CC[N@H+]1CCCC(F)(F)C1 ZINC000649695472 398043851 /nfs/dbraw/zinc/04/38/51/398043851.db2.gz WLDKBSDOCOAXGJ-ARJAWSKDSA-N 1 2 203.276 3.074 20 0 BGADLO CC/C=C\CC[N@@H+]1CCCC(F)(F)C1 ZINC000649695472 398043848 /nfs/dbraw/zinc/04/38/48/398043848.db2.gz WLDKBSDOCOAXGJ-ARJAWSKDSA-N 1 2 203.276 3.074 20 0 BGADLO CC/C=C/CC[N@H+]1CCCC(F)(F)C1 ZINC000649695473 398043923 /nfs/dbraw/zinc/04/39/23/398043923.db2.gz WLDKBSDOCOAXGJ-ONEGZZNKSA-N 1 2 203.276 3.074 20 0 BGADLO CC/C=C/CC[N@@H+]1CCCC(F)(F)C1 ZINC000649695473 398043920 /nfs/dbraw/zinc/04/39/20/398043920.db2.gz WLDKBSDOCOAXGJ-ONEGZZNKSA-N 1 2 203.276 3.074 20 0 BGADLO CCCC(C)(C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000649725316 398067066 /nfs/dbraw/zinc/06/70/66/398067066.db2.gz MWDRVEMVADXWOD-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO CCCC(C)(C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000649827718 398128836 /nfs/dbraw/zinc/12/88/36/398128836.db2.gz WLYDZZSUMATPON-UHFFFAOYSA-N 1 2 234.343 3.463 20 0 BGADLO C[C@@H]1C[N@@H+](CC(F)F)CCc2ccc(F)cc21 ZINC000649894419 398169252 /nfs/dbraw/zinc/16/92/52/398169252.db2.gz LCPILUDITXFFJP-SECBINFHSA-N 1 2 243.272 3.052 20 0 BGADLO C[C@@H]1C[N@H+](CC(F)F)CCc2ccc(F)cc21 ZINC000649894419 398169248 /nfs/dbraw/zinc/16/92/48/398169248.db2.gz LCPILUDITXFFJP-SECBINFHSA-N 1 2 243.272 3.052 20 0 BGADLO C[C@H]1C[N@@H+](CC(F)F)CCc2ccc(F)cc21 ZINC000649894420 398169408 /nfs/dbraw/zinc/16/94/08/398169408.db2.gz LCPILUDITXFFJP-VIFPVBQESA-N 1 2 243.272 3.052 20 0 BGADLO C[C@H]1C[N@H+](CC(F)F)CCc2ccc(F)cc21 ZINC000649894420 398169404 /nfs/dbraw/zinc/16/94/04/398169404.db2.gz LCPILUDITXFFJP-VIFPVBQESA-N 1 2 243.272 3.052 20 0 BGADLO CCCC(C)(C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000650040870 398225499 /nfs/dbraw/zinc/22/54/99/398225499.db2.gz JEFBTJXFOANWKV-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO CCCC(C)(C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000650082462 398233330 /nfs/dbraw/zinc/23/33/30/398233330.db2.gz HUVJCYIZKPRVCE-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO CCCC(C)(C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000650103212 487518649 /nfs/dbraw/zinc/51/86/49/487518649.db2.gz UAIPVGCPYUHYLN-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO c1ccc(NCc2cccc3c2CCC3)[nH+]c1 ZINC000650236395 398001378 /nfs/dbraw/zinc/00/13/78/398001378.db2.gz QMHFTDYVOAZUDZ-UHFFFAOYSA-N 1 2 224.307 3.182 20 0 BGADLO CCc1cc[nH+]cc1NCc1csc(C)n1 ZINC000650242206 398003729 /nfs/dbraw/zinc/00/37/29/398003729.db2.gz CEYOCOVYDHCEJL-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO CCc1cc[nH+]cc1NCc1cccs1 ZINC000650242240 398003986 /nfs/dbraw/zinc/00/39/86/398003986.db2.gz DRBFBKHNRNEMFE-UHFFFAOYSA-N 1 2 218.325 3.318 20 0 BGADLO CCc1cc[nH+]cc1NCc1ccccc1OC ZINC000650242327 398004070 /nfs/dbraw/zinc/00/40/70/398004070.db2.gz HMXRYMURAJAELH-UHFFFAOYSA-N 1 2 242.322 3.265 20 0 BGADLO COc1ccsc1CNc1cc(C)c[nH+]c1C ZINC000650242517 398004348 /nfs/dbraw/zinc/00/43/48/398004348.db2.gz NIYVUOIOBYRYKD-UHFFFAOYSA-N 1 2 248.351 3.381 20 0 BGADLO CCc1cc[nH+]cc1NCc1ccsc1 ZINC000650242520 398004410 /nfs/dbraw/zinc/00/44/10/398004410.db2.gz NMIAKFLUPVIFNJ-UHFFFAOYSA-N 1 2 218.325 3.318 20 0 BGADLO CCc1cc[nH+]cc1NCc1cccc(OC)c1 ZINC000650242603 398004222 /nfs/dbraw/zinc/00/42/22/398004222.db2.gz QJVDLUIZUZVJEJ-UHFFFAOYSA-N 1 2 242.322 3.265 20 0 BGADLO CCc1cc[nH+]cc1NCc1ccc(OC)cc1 ZINC000650242650 398003748 /nfs/dbraw/zinc/00/37/48/398003748.db2.gz TVSZYAJBGPRDBC-UHFFFAOYSA-N 1 2 242.322 3.265 20 0 BGADLO CCc1cc[nH+]cc1NCc1ccc(C)o1 ZINC000650242726 398004366 /nfs/dbraw/zinc/00/43/66/398004366.db2.gz WOAVZMIPIJVXES-UHFFFAOYSA-N 1 2 216.284 3.158 20 0 BGADLO CCc1cnc(CNc2c[nH+]ccc2CC)s1 ZINC000650242894 398005533 /nfs/dbraw/zinc/00/55/33/398005533.db2.gz BEQLRXRCNUHRPP-UHFFFAOYSA-N 1 2 247.367 3.275 20 0 BGADLO CCc1cc[nH+]cc1NCc1cccn1CC ZINC000650242908 398004923 /nfs/dbraw/zinc/00/49/23/398004923.db2.gz BMZIXBUSXURXEU-UHFFFAOYSA-N 1 2 229.327 3.078 20 0 BGADLO CCc1cc[nH+]cc1NCc1ccnn1C(C)C ZINC000650242971 398004404 /nfs/dbraw/zinc/00/44/04/398004404.db2.gz FICLVMIJDMQKBK-UHFFFAOYSA-N 1 2 244.342 3.034 20 0 BGADLO CCc1ccc(CNc2c[nH+]ccc2CC)o1 ZINC000650243004 398004005 /nfs/dbraw/zinc/00/40/05/398004005.db2.gz GLWOKPYQBDNXLJ-UHFFFAOYSA-N 1 2 230.311 3.412 20 0 BGADLO CCc1cc[nH+]cc1NCc1scnc1C ZINC000650243023 398003739 /nfs/dbraw/zinc/00/37/39/398003739.db2.gz HIQPUQXCUBQXQU-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO CCc1cc[nH+]cc1NCc1ccoc1C ZINC000650243091 398005625 /nfs/dbraw/zinc/00/56/25/398005625.db2.gz KBSRBJDCLWZWDM-UHFFFAOYSA-N 1 2 216.284 3.158 20 0 BGADLO CCc1cc[nH+]cc1NCc1cnn(C(C)C)c1 ZINC000650243108 398005019 /nfs/dbraw/zinc/00/50/19/398005019.db2.gz KTHJAQALIDHRSS-UHFFFAOYSA-N 1 2 244.342 3.034 20 0 BGADLO CCc1cc[nH+]cc1NCC1(OC)CCCC1 ZINC000650243148 398005106 /nfs/dbraw/zinc/00/51/06/398005106.db2.gz LUQSKTXYUOIAFJ-UHFFFAOYSA-N 1 2 234.343 3.015 20 0 BGADLO CCc1cc[nH+]cc1NCc1sccc1OC ZINC000650243163 398005456 /nfs/dbraw/zinc/00/54/56/398005456.db2.gz MEAPMIDIRXQUGT-UHFFFAOYSA-N 1 2 248.351 3.326 20 0 BGADLO CCc1cc[nH+]cc1NCc1ncc(C)s1 ZINC000650243195 398004962 /nfs/dbraw/zinc/00/49/62/398004962.db2.gz NXEWXDQGNDTQGR-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO CCc1nc(CNc2c[nH+]ccc2CC)cs1 ZINC000650243250 398005154 /nfs/dbraw/zinc/00/51/54/398005154.db2.gz QSUYVWMTTARDRA-UHFFFAOYSA-N 1 2 247.367 3.275 20 0 BGADLO CCc1cc[nH+]cc1NCc1occc1C ZINC000650243306 398004874 /nfs/dbraw/zinc/00/48/74/398004874.db2.gz TVRLAJHEXMCFLP-UHFFFAOYSA-N 1 2 216.284 3.158 20 0 BGADLO CCc1ncc(CNc2c[nH+]ccc2CC)s1 ZINC000650243390 398006655 /nfs/dbraw/zinc/00/66/55/398006655.db2.gz XBLORUPPFDCQBV-UHFFFAOYSA-N 1 2 247.367 3.275 20 0 BGADLO CCc1ccncc1NCc1c[nH+]cn1C(C)C ZINC000650243430 398006610 /nfs/dbraw/zinc/00/66/10/398006610.db2.gz YJWDLEGEJMJNOO-UHFFFAOYSA-N 1 2 244.342 3.034 20 0 BGADLO COCc1cc[nH+]c(NCc2ccsc2C)c1 ZINC000650243922 398006379 /nfs/dbraw/zinc/00/63/79/398006379.db2.gz VFGOHWKFBHKYEC-UHFFFAOYSA-N 1 2 248.351 3.210 20 0 BGADLO COCc1cc[nH+]c(NCc2csc(C)c2)c1 ZINC000650243984 398006337 /nfs/dbraw/zinc/00/63/37/398006337.db2.gz XWLAFGVAJWYQEZ-UHFFFAOYSA-N 1 2 248.351 3.210 20 0 BGADLO COCc1cc[nH+]c(NCc2ccc(C)s2)c1 ZINC000650244669 398006310 /nfs/dbraw/zinc/00/63/10/398006310.db2.gz KDRJNTOLCZYINH-UHFFFAOYSA-N 1 2 248.351 3.210 20 0 BGADLO COCc1cc[nH+]c(NCc2ccccc2C)c1 ZINC000650244735 398006175 /nfs/dbraw/zinc/00/61/75/398006175.db2.gz NCOSRAAFXVHVEB-UHFFFAOYSA-N 1 2 242.322 3.149 20 0 BGADLO COCc1cc[nH+]c(NCc2cccc(C)c2)c1 ZINC000650244742 398006401 /nfs/dbraw/zinc/00/64/01/398006401.db2.gz NNBDHCUUSWALSR-UHFFFAOYSA-N 1 2 242.322 3.149 20 0 BGADLO COCc1cc[nH+]c(NCc2ccc(C)cc2)c1 ZINC000650244828 398007346 /nfs/dbraw/zinc/00/73/46/398007346.db2.gz QTAMBOYBSGPQRR-UHFFFAOYSA-N 1 2 242.322 3.149 20 0 BGADLO COCc1cc[nH+]c(NCc2sccc2C)c1 ZINC000650245028 398007263 /nfs/dbraw/zinc/00/72/63/398007263.db2.gz ZKALPWMTDMRNCK-UHFFFAOYSA-N 1 2 248.351 3.210 20 0 BGADLO Cn1c[nH+]c(/C=C/c2nc(C(C)(C)C)cs2)c1 ZINC000651154910 410837275 /nfs/dbraw/zinc/83/72/75/410837275.db2.gz VQNYAMHDNRIFHO-AATRIKPKSA-N 1 2 247.367 3.345 20 0 BGADLO Cn1c[nH+]c(/C=C\c2nc(C(C)(C)C)cs2)c1 ZINC000651154911 410838274 /nfs/dbraw/zinc/83/82/74/410838274.db2.gz VQNYAMHDNRIFHO-WAYWQWQTSA-N 1 2 247.367 3.345 20 0 BGADLO c1cn2c([nH+]1)[C@@H](Nc1ccc(C3CC3)cc1)CC2 ZINC000651302484 410910534 /nfs/dbraw/zinc/91/05/34/410910534.db2.gz JHOXWKBRWSYBMU-AWEZNQCLSA-N 1 2 239.322 3.317 20 0 BGADLO c1cn2c([nH+]1)[C@H](Nc1ccc(C3CC3)cc1)CC2 ZINC000651302485 410911412 /nfs/dbraw/zinc/91/14/12/410911412.db2.gz JHOXWKBRWSYBMU-CQSZACIVSA-N 1 2 239.322 3.317 20 0 BGADLO CC[C@@H]([NH2+][C@H]1CCCC1(F)F)c1ccncc1 ZINC000651345910 410927875 /nfs/dbraw/zinc/92/78/75/410927875.db2.gz KFKAZTKRLGNHFN-NEPJUHHUSA-N 1 2 240.297 3.310 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCCC1(F)F)c1ccncc1 ZINC000651345911 410928400 /nfs/dbraw/zinc/92/84/00/410928400.db2.gz KFKAZTKRLGNHFN-NWDGAFQWSA-N 1 2 240.297 3.310 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCCC1(F)F)c1ccncc1 ZINC000651345912 410928740 /nfs/dbraw/zinc/92/87/40/410928740.db2.gz KFKAZTKRLGNHFN-RYUDHWBXSA-N 1 2 240.297 3.310 20 0 BGADLO CC[C@@H]([NH2+][C@@H]1CCCC1(F)F)c1ccncc1 ZINC000651345913 410929392 /nfs/dbraw/zinc/92/93/92/410929392.db2.gz KFKAZTKRLGNHFN-VXGBXAGGSA-N 1 2 240.297 3.310 20 0 BGADLO CC(C)c1cc(N2CC=CC2)nc(C(C)C)[nH+]1 ZINC000651357272 491055476 /nfs/dbraw/zinc/05/54/76/491055476.db2.gz QKPUIDRMJSKWBV-UHFFFAOYSA-N 1 2 231.343 3.100 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)nc1C)C(F)F ZINC000651364350 410952312 /nfs/dbraw/zinc/95/23/12/410952312.db2.gz NVCGZJFHJCKKAS-CMPLNLGQSA-N 1 2 242.313 3.393 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1ccc(C)nc1C)C(F)F ZINC000651364351 410952582 /nfs/dbraw/zinc/95/25/82/410952582.db2.gz NVCGZJFHJCKKAS-JQWIXIFHSA-N 1 2 242.313 3.393 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1ccc(C)nc1C)C(F)F ZINC000651364352 410953527 /nfs/dbraw/zinc/95/35/27/410953527.db2.gz NVCGZJFHJCKKAS-PWSUYJOCSA-N 1 2 242.313 3.393 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1ccc(C)nc1C)C(F)F ZINC000651364353 410952759 /nfs/dbraw/zinc/95/27/59/410952759.db2.gz NVCGZJFHJCKKAS-ZYHUDNBSSA-N 1 2 242.313 3.393 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1cnc(C)s1)C(F)F ZINC000651364356 410953623 /nfs/dbraw/zinc/95/36/23/410953623.db2.gz QJFXCDCODYRGLF-HTRCEHHLSA-N 1 2 234.315 3.146 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1cnc(C)s1)C(F)F ZINC000651364357 410953540 /nfs/dbraw/zinc/95/35/40/410953540.db2.gz QJFXCDCODYRGLF-POYBYMJQSA-N 1 2 234.315 3.146 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1cnc(C)s1)C(F)F ZINC000651364358 410952866 /nfs/dbraw/zinc/95/28/66/410952866.db2.gz QJFXCDCODYRGLF-SVRRBLITSA-N 1 2 234.315 3.146 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1cnc(C)s1)C(F)F ZINC000651364359 410952676 /nfs/dbraw/zinc/95/26/76/410952676.db2.gz QJFXCDCODYRGLF-XPUUQOCRSA-N 1 2 234.315 3.146 20 0 BGADLO Cc1cc(N2CCC23CCCC3)nc(C2CC2)[nH+]1 ZINC000651374073 410959567 /nfs/dbraw/zinc/95/95/67/410959567.db2.gz YSQZHCKNJWKXPV-UHFFFAOYSA-N 1 2 243.354 3.185 20 0 BGADLO Cc1cc(N[C@@H]2C[C@H]2CC(C)(C)C)nc[nH+]1 ZINC000651395300 487724773 /nfs/dbraw/zinc/72/47/73/487724773.db2.gz GINZPVHCXMVILX-WDEREUQCSA-N 1 2 219.332 3.022 20 0 BGADLO Cc1cc(N[C@@H]2C[C@H]2c2ccccc2C)nc[nH+]1 ZINC000651395355 487724807 /nfs/dbraw/zinc/72/48/07/487724807.db2.gz IOGALEUUAJAWHP-UONOGXRCSA-N 1 2 239.322 3.061 20 0 BGADLO Cc1nc(N[C@@H]2C[C@H]2CC(C)(C)C)cc[nH+]1 ZINC000651396184 410978953 /nfs/dbraw/zinc/97/89/53/410978953.db2.gz NMKKGURUJAGEEV-WDEREUQCSA-N 1 2 219.332 3.022 20 0 BGADLO CC[C@H](Nc1cc[nH+]c(C)n1)c1ccccc1F ZINC000651405175 487727791 /nfs/dbraw/zinc/72/77/91/487727791.db2.gz KNNJNRRABJXMOG-ZDUSSCGKSA-N 1 2 245.301 3.487 20 0 BGADLO CC[C@H](Nc1cc(C)[nH+]cn1)c1ccccc1F ZINC000651405444 410987125 /nfs/dbraw/zinc/98/71/25/410987125.db2.gz QIFZWBUOZVDGCB-ZDUSSCGKSA-N 1 2 245.301 3.487 20 0 BGADLO C[C@@H]1CN(c2cccc[nH+]2)CCc2ccccc21 ZINC000651446569 634175141 /nfs/dbraw/zinc/17/51/41/634175141.db2.gz MMRRUDOQBHOWRW-CYBMUJFWSA-N 1 2 238.334 3.248 20 0 BGADLO C[C@H]1CN(c2cccc[nH+]2)CCc2ccccc21 ZINC000651446570 634174942 /nfs/dbraw/zinc/17/49/42/634174942.db2.gz MMRRUDOQBHOWRW-ZDUSSCGKSA-N 1 2 238.334 3.248 20 0 BGADLO Cc1nc2[nH]ccc2c(NC2CC3(CCC3)C2)[nH+]1 ZINC000651473470 411054188 /nfs/dbraw/zinc/05/41/88/411054188.db2.gz OUVGKLWWHSYWPY-UHFFFAOYSA-N 1 2 242.326 3.011 20 0 BGADLO COC[C@@H](CC(C)(C)C)Nc1ccc(C)[nH+]c1 ZINC000651736752 411140066 /nfs/dbraw/zinc/14/00/66/411140066.db2.gz HIFFAMBZQMZDKZ-CYBMUJFWSA-N 1 2 236.359 3.253 20 0 BGADLO COC[C@H](CC(C)(C)C)Nc1ccc(C)[nH+]c1 ZINC000651736753 411140193 /nfs/dbraw/zinc/14/01/93/411140193.db2.gz HIFFAMBZQMZDKZ-ZDUSSCGKSA-N 1 2 236.359 3.253 20 0 BGADLO COC[C@@H](CC(C)(C)C)Nc1c[nH+]cc(C)c1 ZINC000651740544 411140456 /nfs/dbraw/zinc/14/04/56/411140456.db2.gz DFKUXUVQDKSURN-CYBMUJFWSA-N 1 2 236.359 3.253 20 0 BGADLO COC[C@H](CC(C)(C)C)Nc1c[nH+]cc(C)c1 ZINC000651740545 411140281 /nfs/dbraw/zinc/14/02/81/411140281.db2.gz DFKUXUVQDKSURN-ZDUSSCGKSA-N 1 2 236.359 3.253 20 0 BGADLO COC[C@@H](CC(C)(C)C)Nc1ccc[nH+]c1C ZINC000651740625 411140259 /nfs/dbraw/zinc/14/02/59/411140259.db2.gz GLTRQYDOKSRIMK-GFCCVEGCSA-N 1 2 236.359 3.253 20 0 BGADLO COC[C@H](CC(C)(C)C)Nc1ccc[nH+]c1C ZINC000651740626 411140331 /nfs/dbraw/zinc/14/03/31/411140331.db2.gz GLTRQYDOKSRIMK-LBPRGKRZSA-N 1 2 236.359 3.253 20 0 BGADLO FC1(F)CC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000651749052 411140720 /nfs/dbraw/zinc/14/07/20/411140720.db2.gz IZVZZCWGNZCSTG-UHFFFAOYSA-N 1 2 237.293 3.016 20 0 BGADLO FC1(F)CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000651749052 411140719 /nfs/dbraw/zinc/14/07/19/411140719.db2.gz IZVZZCWGNZCSTG-UHFFFAOYSA-N 1 2 237.293 3.016 20 0 BGADLO CCc1cccc(C[NH2+]CC(F)(F)C(F)F)c1 ZINC000651785092 411143444 /nfs/dbraw/zinc/14/34/44/411143444.db2.gz ORWMZLKVNGPPKQ-UHFFFAOYSA-N 1 2 249.251 3.239 20 0 BGADLO CCc1cccc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000651790826 411144011 /nfs/dbraw/zinc/14/40/11/411144011.db2.gz NCEPXTLYSGYPJC-UHFFFAOYSA-N 1 2 227.298 3.382 20 0 BGADLO CC(C)([NH2+]Cc1cccc2c1CCC2)C(F)F ZINC000651790836 411144052 /nfs/dbraw/zinc/14/40/52/411144052.db2.gz NMMLPJSCDISURR-UHFFFAOYSA-N 1 2 239.309 3.309 20 0 BGADLO FC(F)C1([NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651795360 411144228 /nfs/dbraw/zinc/14/42/28/411144228.db2.gz VPWPXCJGPDMTKE-UHFFFAOYSA-N 1 2 237.293 3.063 20 0 BGADLO CC[C@@H]([NH2+]Cc1cccc2c1CCC2)C(F)F ZINC000651818017 411145271 /nfs/dbraw/zinc/14/52/71/411145271.db2.gz IBJTVRVZQIDSJE-CYBMUJFWSA-N 1 2 239.309 3.309 20 0 BGADLO CC[C@H]([NH2+]Cc1cccc2c1CCC2)C(F)F ZINC000651818018 411145233 /nfs/dbraw/zinc/14/52/33/411145233.db2.gz IBJTVRVZQIDSJE-ZDUSSCGKSA-N 1 2 239.309 3.309 20 0 BGADLO CCc1cccc(C[NH2+][C@H](CC)C(F)F)c1 ZINC000651818338 411145431 /nfs/dbraw/zinc/14/54/31/411145431.db2.gz QMSXNYQGLXSFFT-GFCCVEGCSA-N 1 2 227.298 3.382 20 0 BGADLO CCc1cccc(C[NH2+][C@@H](CC)C(F)F)c1 ZINC000651818339 411145376 /nfs/dbraw/zinc/14/53/76/411145376.db2.gz QMSXNYQGLXSFFT-LBPRGKRZSA-N 1 2 227.298 3.382 20 0 BGADLO Cc1ccc(C[NH+]2CC(C(F)F)C2)c(Cl)c1 ZINC000651828494 411146672 /nfs/dbraw/zinc/14/66/72/411146672.db2.gz MPTOYLNQOORHQT-UHFFFAOYSA-N 1 2 245.700 3.345 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1C)C(F)(F)F ZINC000651835561 487839788 /nfs/dbraw/zinc/83/97/88/487839788.db2.gz RGEXARAMWQRXBG-AEJSXWLSSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1C)C(F)(F)F ZINC000651835562 487840011 /nfs/dbraw/zinc/84/00/11/487840011.db2.gz RGEXARAMWQRXBG-GUBZILKMSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1C)C(F)(F)F ZINC000651835563 487840099 /nfs/dbraw/zinc/84/00/99/487840099.db2.gz RGEXARAMWQRXBG-IVZWLZJFSA-N 1 2 223.282 3.496 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1C)C(F)(F)F ZINC000651835564 487840170 /nfs/dbraw/zinc/84/01/70/487840170.db2.gz RGEXARAMWQRXBG-LPEHRKFASA-N 1 2 223.282 3.496 20 0 BGADLO Cc1ccsc1C[N@H+]1CCCC(F)(F)C1 ZINC000651895087 411149266 /nfs/dbraw/zinc/14/92/66/411149266.db2.gz ZGBYEOQYNWJPFM-UHFFFAOYSA-N 1 2 231.311 3.288 20 0 BGADLO Cc1ccsc1C[N@@H+]1CCCC(F)(F)C1 ZINC000651895087 411149265 /nfs/dbraw/zinc/14/92/65/411149265.db2.gz ZGBYEOQYNWJPFM-UHFFFAOYSA-N 1 2 231.311 3.288 20 0 BGADLO C[C@@H](Cc1ccsc1)[N@H+]1CCCC(F)(F)C1 ZINC000651895486 411149229 /nfs/dbraw/zinc/14/92/29/411149229.db2.gz MMVMDZGXSHFJJW-JTQLQIEISA-N 1 2 245.338 3.410 20 0 BGADLO C[C@@H](Cc1ccsc1)[N@@H+]1CCCC(F)(F)C1 ZINC000651895486 411149228 /nfs/dbraw/zinc/14/92/28/411149228.db2.gz MMVMDZGXSHFJJW-JTQLQIEISA-N 1 2 245.338 3.410 20 0 BGADLO C[C@H](Cc1ccsc1)[N@H+]1CCCC(F)(F)C1 ZINC000651895487 411149098 /nfs/dbraw/zinc/14/90/98/411149098.db2.gz MMVMDZGXSHFJJW-SNVBAGLBSA-N 1 2 245.338 3.410 20 0 BGADLO C[C@H](Cc1ccsc1)[N@@H+]1CCCC(F)(F)C1 ZINC000651895487 411149097 /nfs/dbraw/zinc/14/90/97/411149097.db2.gz MMVMDZGXSHFJJW-SNVBAGLBSA-N 1 2 245.338 3.410 20 0 BGADLO Cc1c[nH+]c(C)c(NCc2cccnc2C)c1 ZINC000651924897 487865380 /nfs/dbraw/zinc/86/53/80/487865380.db2.gz RPQGMFBWUCRIJQ-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO CSc1ccc[nH+]c1NCc1ccc(C)o1 ZINC000651971157 409939726 /nfs/dbraw/zinc/93/97/26/409939726.db2.gz XUEFDNLTBLZSON-UHFFFAOYSA-N 1 2 234.324 3.317 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CC[C@@H](C)C1 ZINC000651971326 409944190 /nfs/dbraw/zinc/94/41/90/409944190.db2.gz AJXMINIKJJPMAU-NXEZZACHSA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@H]1CC[C@H](C)C1 ZINC000651971327 409944045 /nfs/dbraw/zinc/94/40/45/409944045.db2.gz AJXMINIKJJPMAU-UWVGGRQHSA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CC[C@H](C)C1 ZINC000651971328 409944100 /nfs/dbraw/zinc/94/41/00/409944100.db2.gz AJXMINIKJJPMAU-VHSXEESVSA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@H]1CC[C@@H](C)C1 ZINC000651971329 409943856 /nfs/dbraw/zinc/94/38/56/409943856.db2.gz AJXMINIKJJPMAU-ZJUUUORDSA-N 1 2 222.357 3.404 20 0 BGADLO CC[C@@H]1CC[C@H]1Nc1[nH+]cccc1SC ZINC000651971411 409943869 /nfs/dbraw/zinc/94/38/69/409943869.db2.gz DSDQLLCBHRPBCD-NXEZZACHSA-N 1 2 222.357 3.404 20 0 BGADLO CC[C@H]1CC[C@@H]1Nc1[nH+]cccc1SC ZINC000651971412 409942923 /nfs/dbraw/zinc/94/29/23/409942923.db2.gz DSDQLLCBHRPBCD-UWVGGRQHSA-N 1 2 222.357 3.404 20 0 BGADLO CC[C@H]1CC[C@H]1Nc1[nH+]cccc1SC ZINC000651971413 409943131 /nfs/dbraw/zinc/94/31/31/409943131.db2.gz DSDQLLCBHRPBCD-VHSXEESVSA-N 1 2 222.357 3.404 20 0 BGADLO CC[C@@H]1CC[C@@H]1Nc1[nH+]cccc1SC ZINC000651971414 409942814 /nfs/dbraw/zinc/94/28/14/409942814.db2.gz DSDQLLCBHRPBCD-ZJUUUORDSA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@H](C)C1CC1 ZINC000651971446 409944416 /nfs/dbraw/zinc/94/44/16/409944416.db2.gz FTSGRMFRBGRDSZ-MRVPVSSYSA-N 1 2 208.330 3.014 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H](C)C1CC1 ZINC000651971447 409944262 /nfs/dbraw/zinc/94/42/62/409944262.db2.gz FTSGRMFRBGRDSZ-QMMMGPOBSA-N 1 2 208.330 3.014 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1C[C@H](C)[C@H]1C ZINC000651971509 409940022 /nfs/dbraw/zinc/94/00/22/409940022.db2.gz IOZBGLWJVLNFGK-IVZWLZJFSA-N 1 2 222.357 3.260 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1C[C@@H](C)[C@@H]1C ZINC000651971510 409944243 /nfs/dbraw/zinc/94/42/43/409944243.db2.gz IOZBGLWJVLNFGK-KXUCPTDWSA-N 1 2 222.357 3.260 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1C[C@H](C)[C@@H]1C ZINC000651971511 409942591 /nfs/dbraw/zinc/94/25/91/409942591.db2.gz IOZBGLWJVLNFGK-LPEHRKFASA-N 1 2 222.357 3.260 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1C[C@@H](C)[C@H]1C ZINC000651971512 409943814 /nfs/dbraw/zinc/94/38/14/409943814.db2.gz IOZBGLWJVLNFGK-OPRDCNLKSA-N 1 2 222.357 3.260 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H](C)Cc1ccoc1 ZINC000651971513 409942038 /nfs/dbraw/zinc/94/20/38/409942038.db2.gz IPUPCESMHJSGRT-JTQLQIEISA-N 1 2 248.351 3.440 20 0 BGADLO CSc1ccc[nH+]c1N[C@H](C)Cc1ccoc1 ZINC000651971514 409942292 /nfs/dbraw/zinc/94/22/92/409942292.db2.gz IPUPCESMHJSGRT-SNVBAGLBSA-N 1 2 248.351 3.440 20 0 BGADLO CSc1ccc[nH+]c1NC1CCSCC1 ZINC000651971525 409943408 /nfs/dbraw/zinc/94/34/08/409943408.db2.gz IXZJVGVOPFOXQT-UHFFFAOYSA-N 1 2 240.397 3.111 20 0 BGADLO CSc1ccc[nH+]c1N[C@H](C)CC1CC1 ZINC000651971559 409942184 /nfs/dbraw/zinc/94/21/84/409942184.db2.gz KGYMVRTWJXMDGJ-SECBINFHSA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H](C)CC1CC1 ZINC000651971560 409944073 /nfs/dbraw/zinc/94/40/73/409944073.db2.gz KGYMVRTWJXMDGJ-VIFPVBQESA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@H](C)C1CCC1 ZINC000651971583 409944132 /nfs/dbraw/zinc/94/41/32/409944132.db2.gz LHXRRISQJVJOSS-SECBINFHSA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H](C)C1CCC1 ZINC000651971584 409942093 /nfs/dbraw/zinc/94/20/93/409942093.db2.gz LHXRRISQJVJOSS-VIFPVBQESA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc[nH+]c1NC1CC(C)(C)C1 ZINC000651971607 409943784 /nfs/dbraw/zinc/94/37/84/409943784.db2.gz MKUCDMRNCBNPEV-UHFFFAOYSA-N 1 2 222.357 3.404 20 0 BGADLO CCC(CC)Nc1[nH+]cccc1SC ZINC000651971627 409944032 /nfs/dbraw/zinc/94/40/32/409944032.db2.gz NZUBOBHRMZZEFR-UHFFFAOYSA-N 1 2 210.346 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CCCSC1 ZINC000651971638 409943212 /nfs/dbraw/zinc/94/32/12/409943212.db2.gz OGONMTXPGVGGKR-SECBINFHSA-N 1 2 240.397 3.111 20 0 BGADLO CSc1ccc[nH+]c1N[C@H]1CCCSC1 ZINC000651971639 409943087 /nfs/dbraw/zinc/94/30/87/409943087.db2.gz OGONMTXPGVGGKR-VIFPVBQESA-N 1 2 240.397 3.111 20 0 BGADLO CSc1ccc[nH+]c1NC1CCCC1 ZINC000651971677 409944469 /nfs/dbraw/zinc/94/44/69/409944469.db2.gz QIMAPPFRNFKLGD-UHFFFAOYSA-N 1 2 208.330 3.158 20 0 BGADLO CSc1ccc[nH+]c1NC1CC(C)C1 ZINC000651971688 409942794 /nfs/dbraw/zinc/94/27/94/409942794.db2.gz QNRGKBHIHXPEPO-UHFFFAOYSA-N 1 2 208.330 3.014 20 0 BGADLO CSc1ccc[nH+]c1N[C@H](C)C(C)C ZINC000651971690 409942396 /nfs/dbraw/zinc/94/23/96/409942396.db2.gz QQGXPAHFXBYVAJ-SECBINFHSA-N 1 2 210.346 3.260 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H](C)C(C)C ZINC000651971691 409944009 /nfs/dbraw/zinc/94/40/09/409944009.db2.gz QQGXPAHFXBYVAJ-VIFPVBQESA-N 1 2 210.346 3.260 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CCC[C@H]1C ZINC000651971694 409942535 /nfs/dbraw/zinc/94/25/35/409942535.db2.gz QYHIGFVEKPGARZ-NXEZZACHSA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@H]1CCC[C@@H]1C ZINC000651971695 409943394 /nfs/dbraw/zinc/94/33/94/409943394.db2.gz QYHIGFVEKPGARZ-UWVGGRQHSA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CCC[C@@H]1C ZINC000651971696 409943322 /nfs/dbraw/zinc/94/33/22/409943322.db2.gz QYHIGFVEKPGARZ-VHSXEESVSA-N 1 2 222.357 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@H]1CCC[C@H]1C ZINC000651971697 409942834 /nfs/dbraw/zinc/94/28/34/409942834.db2.gz QYHIGFVEKPGARZ-ZJUUUORDSA-N 1 2 222.357 3.404 20 0 BGADLO CC[C@@H](C)CNc1[nH+]cccc1SC ZINC000651971730 409943165 /nfs/dbraw/zinc/94/31/65/409943165.db2.gz RZLVAWBSXINLKL-SECBINFHSA-N 1 2 210.346 3.262 20 0 BGADLO CC[C@H](C)CNc1[nH+]cccc1SC ZINC000651971731 409944342 /nfs/dbraw/zinc/94/43/42/409944342.db2.gz RZLVAWBSXINLKL-VIFPVBQESA-N 1 2 210.346 3.262 20 0 BGADLO CSc1ccc[nH+]c1NCc1ccoc1C ZINC000651971826 409943457 /nfs/dbraw/zinc/94/34/57/409943457.db2.gz WSOQLTCJZFXBNJ-UHFFFAOYSA-N 1 2 234.324 3.317 20 0 BGADLO CSc1ccc[nH+]c1NCc1occc1C ZINC000651971871 409943499 /nfs/dbraw/zinc/94/34/99/409943499.db2.gz YGNHZNIVCHCRHX-UHFFFAOYSA-N 1 2 234.324 3.317 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H](C)COC(C)C ZINC000651971898 409946804 /nfs/dbraw/zinc/94/68/04/409946804.db2.gz ZITSLSGCEPEIKY-JTQLQIEISA-N 1 2 240.372 3.029 20 0 BGADLO CSc1ccc[nH+]c1N[C@H](C)COC(C)C ZINC000651971899 409946226 /nfs/dbraw/zinc/94/62/26/409946226.db2.gz ZITSLSGCEPEIKY-SNVBAGLBSA-N 1 2 240.372 3.029 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000651979194 410111886 /nfs/dbraw/zinc/11/18/86/410111886.db2.gz BMPUCRYOSGUFAX-DZGCQCFKSA-N 1 2 248.370 3.260 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000651979195 410111800 /nfs/dbraw/zinc/11/18/00/410111800.db2.gz BMPUCRYOSGUFAX-HIFRSBDPSA-N 1 2 248.370 3.260 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000651979196 410111716 /nfs/dbraw/zinc/11/17/16/410111716.db2.gz BMPUCRYOSGUFAX-UKRRQHHQSA-N 1 2 248.370 3.260 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCO[C@H](C(C)C)C1 ZINC000651979197 410111953 /nfs/dbraw/zinc/11/19/53/410111953.db2.gz BMPUCRYOSGUFAX-ZFWWWQNUSA-N 1 2 248.370 3.260 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](COC)CC(C)C ZINC000651979318 410112992 /nfs/dbraw/zinc/11/29/92/410112992.db2.gz JCNCVEMBJWNZEU-CYBMUJFWSA-N 1 2 236.359 3.117 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](COC)CC(C)C ZINC000651979319 410112571 /nfs/dbraw/zinc/11/25/71/410112571.db2.gz JCNCVEMBJWNZEU-ZDUSSCGKSA-N 1 2 236.359 3.117 20 0 BGADLO CCc1cc[nH+]cc1NC1CC(OC(C)(C)C)C1 ZINC000651979352 410113110 /nfs/dbraw/zinc/11/31/10/410113110.db2.gz LHIJWASUVPWLMT-UHFFFAOYSA-N 1 2 248.370 3.402 20 0 BGADLO CCc1cc[nH+]cc1NC1CCC(OC)CC1 ZINC000651979384 410112917 /nfs/dbraw/zinc/11/29/17/410112917.db2.gz MWAGQURLIZEXDS-UHFFFAOYSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)c1ccccn1 ZINC000651979401 410112977 /nfs/dbraw/zinc/11/29/77/410112977.db2.gz ONLXXOMYKASXNQ-LLVKDONJSA-N 1 2 227.311 3.212 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)c1ccccn1 ZINC000651979402 410112896 /nfs/dbraw/zinc/11/28/96/410112896.db2.gz ONLXXOMYKASXNQ-NSHDSACASA-N 1 2 227.311 3.212 20 0 BGADLO CCc1cc[nH+]cc1NC1CC(OC(C)C)C1 ZINC000651979412 410112813 /nfs/dbraw/zinc/11/28/13/410112813.db2.gz PEGVCXVFCMDWGZ-UHFFFAOYSA-N 1 2 234.343 3.012 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)CC1CCOCC1 ZINC000651979430 410112679 /nfs/dbraw/zinc/11/26/79/410112679.db2.gz RENSWUYCCIQNNA-GFCCVEGCSA-N 1 2 248.370 3.261 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)CC1CCOCC1 ZINC000651979431 410113062 /nfs/dbraw/zinc/11/30/62/410113062.db2.gz RENSWUYCCIQNNA-LBPRGKRZSA-N 1 2 248.370 3.261 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)CC1CC1 ZINC000651979502 487939168 /nfs/dbraw/zinc/93/91/68/487939168.db2.gz WBISHVKYOZXRAH-JTQLQIEISA-N 1 2 204.317 3.245 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)CC1CC1 ZINC000651979503 487939029 /nfs/dbraw/zinc/93/90/29/487939029.db2.gz WBISHVKYOZXRAH-SNVBAGLBSA-N 1 2 204.317 3.245 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)C1CCC1 ZINC000651979538 410114628 /nfs/dbraw/zinc/11/46/28/410114628.db2.gz YGIMRCDEOKTAKM-JTQLQIEISA-N 1 2 204.317 3.245 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)C1CCC1 ZINC000651979539 410114331 /nfs/dbraw/zinc/11/43/31/410114331.db2.gz YGIMRCDEOKTAKM-SNVBAGLBSA-N 1 2 204.317 3.245 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCO[C@H](CC)C1 ZINC000651979644 410114840 /nfs/dbraw/zinc/11/48/40/410114840.db2.gz CGVSBWPIJZBYRI-CHWSQXEVSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCO[C@@H](CC)C1 ZINC000651979645 410114655 /nfs/dbraw/zinc/11/46/55/410114655.db2.gz CGVSBWPIJZBYRI-OLZOCXBDSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCO[C@H](CC)C1 ZINC000651979646 410114910 /nfs/dbraw/zinc/11/49/10/410114910.db2.gz CGVSBWPIJZBYRI-QWHCGFSZSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCO[C@@H](CC)C1 ZINC000651979647 410114381 /nfs/dbraw/zinc/11/43/81/410114381.db2.gz CGVSBWPIJZBYRI-STQMWFEESA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000651979656 410114879 /nfs/dbraw/zinc/11/48/79/410114879.db2.gz CRQNRXKXIHDVFK-PJXYFTJBSA-N 1 2 234.343 3.012 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000651979657 410115083 /nfs/dbraw/zinc/11/50/83/410115083.db2.gz CRQNRXKXIHDVFK-PTEHBNRSSA-N 1 2 234.343 3.012 20 0 BGADLO CCc1cc[nH+]cc1NC1CCC(COC)CC1 ZINC000651979802 410114616 /nfs/dbraw/zinc/11/46/16/410114616.db2.gz KLRIKNFNVSLYBX-UHFFFAOYSA-N 1 2 248.370 3.261 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCOC2(CCC2)C1 ZINC000651979873 410114577 /nfs/dbraw/zinc/11/45/77/410114577.db2.gz OGIBBMVWQAUSAQ-CYBMUJFWSA-N 1 2 246.354 3.158 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCOC2(CCC2)C1 ZINC000651979874 410114403 /nfs/dbraw/zinc/11/44/03/410114403.db2.gz OGIBBMVWQAUSAQ-ZDUSSCGKSA-N 1 2 246.354 3.158 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)CC1(OC)CCC1 ZINC000651979913 410114642 /nfs/dbraw/zinc/11/46/42/410114642.db2.gz QAWODLBRXZGZRF-GFCCVEGCSA-N 1 2 248.370 3.404 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)CC1(OC)CCC1 ZINC000651979914 410114944 /nfs/dbraw/zinc/11/49/44/410114944.db2.gz QAWODLBRXZGZRF-LBPRGKRZSA-N 1 2 248.370 3.404 20 0 BGADLO CCc1cc[nH+]cc1NC1CC2(CCC2)C1 ZINC000651980021 487942647 /nfs/dbraw/zinc/94/26/47/487942647.db2.gz XCMOGFJJEIDDEX-UHFFFAOYSA-N 1 2 216.328 3.389 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCC[C@@H](OC)C1 ZINC000651980046 487942695 /nfs/dbraw/zinc/94/26/95/487942695.db2.gz YIMWHHOXOJNJKK-CHWSQXEVSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCC[C@H](OC)C1 ZINC000651980047 487942774 /nfs/dbraw/zinc/94/27/74/487942774.db2.gz YIMWHHOXOJNJKK-OLZOCXBDSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCC[C@@H](OC)C1 ZINC000651980048 487942663 /nfs/dbraw/zinc/94/26/63/487942663.db2.gz YIMWHHOXOJNJKK-QWHCGFSZSA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCC[C@H](OC)C1 ZINC000651980049 487942711 /nfs/dbraw/zinc/94/27/11/487942711.db2.gz YIMWHHOXOJNJKK-STQMWFEESA-N 1 2 234.343 3.014 20 0 BGADLO CCc1cc[nH+]cc1N[C@H](C)Cc1ccoc1 ZINC000651980073 487943206 /nfs/dbraw/zinc/94/32/06/487943206.db2.gz ZGWLCKGSCMRNSV-LLVKDONJSA-N 1 2 230.311 3.280 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H](C)Cc1ccoc1 ZINC000651980074 487943229 /nfs/dbraw/zinc/94/32/29/487943229.db2.gz ZGWLCKGSCMRNSV-NSHDSACASA-N 1 2 230.311 3.280 20 0 BGADLO CSc1cc(NCc2[nH+]ccn2C)ccc1C ZINC000652043528 411091713 /nfs/dbraw/zinc/09/17/13/411091713.db2.gz QAYIFYDOOLSGDM-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO CSc1cc(NCc2c[nH+]cn2C)ccc1C ZINC000652043589 411095819 /nfs/dbraw/zinc/09/58/19/411095819.db2.gz RXQMIFMHQAVHTD-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO CSc1cc(NCc2[nH]cc[nH+]2)ccc1C ZINC000652043721 411093371 /nfs/dbraw/zinc/09/33/71/411093371.db2.gz XNRAHJDAAHLQNM-UHFFFAOYSA-N 1 2 233.340 3.052 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CC[C@H]2C2CCC2)c1 ZINC000652067632 411104424 /nfs/dbraw/zinc/10/44/24/411104424.db2.gz BJJVBTMKXOCPJI-KBPBESRZSA-N 1 2 246.354 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CC[C@@H]2C2CCC2)c1 ZINC000652067633 411104417 /nfs/dbraw/zinc/10/44/17/411104417.db2.gz BJJVBTMKXOCPJI-KGLIPLIRSA-N 1 2 246.354 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@H]2C2CCC2)c1 ZINC000652067634 411103633 /nfs/dbraw/zinc/10/36/33/411103633.db2.gz BJJVBTMKXOCPJI-UONOGXRCSA-N 1 2 246.354 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000652067635 411104271 /nfs/dbraw/zinc/10/42/71/411104271.db2.gz BJJVBTMKXOCPJI-ZIAGYGMSSA-N 1 2 246.354 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)C2CCCC2)c1 ZINC000652067662 411103003 /nfs/dbraw/zinc/10/30/03/411103003.db2.gz CBBYULISBFBISM-LLVKDONJSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)C2CCCC2)c1 ZINC000652067663 411103074 /nfs/dbraw/zinc/10/30/74/411103074.db2.gz CBBYULISBFBISM-NSHDSACASA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)CC2CCC2)c1 ZINC000652067673 411103861 /nfs/dbraw/zinc/10/38/61/411103861.db2.gz CMIRBKJFPLSBPE-LLVKDONJSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)CC2CCC2)c1 ZINC000652067674 411104130 /nfs/dbraw/zinc/10/41/30/411104130.db2.gz CMIRBKJFPLSBPE-NSHDSACASA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCCC23CCC3)c1 ZINC000652067690 411103570 /nfs/dbraw/zinc/10/35/70/411103570.db2.gz DCIWLRQFZGKAIS-CYBMUJFWSA-N 1 2 246.354 3.363 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CCCC23CCC3)c1 ZINC000652067691 411103800 /nfs/dbraw/zinc/10/38/00/411103800.db2.gz DCIWLRQFZGKAIS-ZDUSSCGKSA-N 1 2 246.354 3.363 20 0 BGADLO COCc1cc[nH+]c(NC2CCC3(CC3)CC2)c1 ZINC000652067746 411105367 /nfs/dbraw/zinc/10/53/67/411105367.db2.gz FOMUDTWMOVFFLS-UHFFFAOYSA-N 1 2 246.354 3.363 20 0 BGADLO CCC[C@@H](CC)Nc1cc(COC)cc[nH+]1 ZINC000652067765 411105610 /nfs/dbraw/zinc/10/56/10/411105610.db2.gz GTHXMLAFWNBAMS-GFCCVEGCSA-N 1 2 222.332 3.219 20 0 BGADLO CCC[C@H](CC)Nc1cc(COC)cc[nH+]1 ZINC000652067766 411105437 /nfs/dbraw/zinc/10/54/37/411105437.db2.gz GTHXMLAFWNBAMS-LBPRGKRZSA-N 1 2 222.332 3.219 20 0 BGADLO COCc1cc[nH+]c(NCCC(C)(C)C)c1 ZINC000652067785 411104775 /nfs/dbraw/zinc/10/47/75/411104775.db2.gz HKOKZWCEMCRGTM-UHFFFAOYSA-N 1 2 222.332 3.076 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@@H]2C)c1 ZINC000652067814 411104742 /nfs/dbraw/zinc/10/47/42/411104742.db2.gz IFESEDXSVOXDGD-AAEUAGOBSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@H]2C)c1 ZINC000652067815 411105205 /nfs/dbraw/zinc/10/52/05/411105205.db2.gz IFESEDXSVOXDGD-DGCLKSJQSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC(C)(C)C[C@@H]2C)c1 ZINC000652067816 411104989 /nfs/dbraw/zinc/10/49/89/411104989.db2.gz IFESEDXSVOXDGD-WCQYABFASA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CC(C)(C)C[C@H]2C)c1 ZINC000652067817 411104709 /nfs/dbraw/zinc/10/47/09/411104709.db2.gz IFESEDXSVOXDGD-YPMHNXCESA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(NC[C@@H](C)C(C)(C)C)c1 ZINC000652067897 411105056 /nfs/dbraw/zinc/10/50/56/411105056.db2.gz LBOPCSPQWIOBQI-LLVKDONJSA-N 1 2 236.359 3.322 20 0 BGADLO COCc1cc[nH+]c(NC[C@H](C)C(C)(C)C)c1 ZINC000652067898 411105335 /nfs/dbraw/zinc/10/53/35/411105335.db2.gz LBOPCSPQWIOBQI-NSHDSACASA-N 1 2 236.359 3.322 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC=C(C)CC2)c1 ZINC000652067918 411105043 /nfs/dbraw/zinc/10/50/43/411105043.db2.gz LNCSBNDEXMFYJR-CYBMUJFWSA-N 1 2 232.327 3.139 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CC=C(C)CC2)c1 ZINC000652067919 411105359 /nfs/dbraw/zinc/10/53/59/411105359.db2.gz LNCSBNDEXMFYJR-ZDUSSCGKSA-N 1 2 232.327 3.139 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)CCC2CC2)c1 ZINC000652068014 411104692 /nfs/dbraw/zinc/10/46/92/411104692.db2.gz PDYOKDYILBOVHO-LLVKDONJSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)CCC2CC2)c1 ZINC000652068015 411105490 /nfs/dbraw/zinc/10/54/90/411105490.db2.gz PDYOKDYILBOVHO-NSHDSACASA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CCC[C@H]2C(C)C)c1 ZINC000652068039 411104720 /nfs/dbraw/zinc/10/47/20/411104720.db2.gz PSDISKXIPNQKAF-KBPBESRZSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CCC[C@@H]2C(C)C)c1 ZINC000652068040 411104765 /nfs/dbraw/zinc/10/47/65/411104765.db2.gz PSDISKXIPNQKAF-KGLIPLIRSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@H]2C(C)C)c1 ZINC000652068041 411105412 /nfs/dbraw/zinc/10/54/12/411105412.db2.gz PSDISKXIPNQKAF-UONOGXRCSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@@H]2C(C)C)c1 ZINC000652068042 411105374 /nfs/dbraw/zinc/10/53/74/411105374.db2.gz PSDISKXIPNQKAF-ZIAGYGMSSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000652068076 411105680 /nfs/dbraw/zinc/10/56/80/411105680.db2.gz QMJLWNAQAJAZOC-MBNYWOFBSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@H](C)[C@H](C)C2)c1 ZINC000652068077 411105061 /nfs/dbraw/zinc/10/50/61/411105061.db2.gz QMJLWNAQAJAZOC-OUCADQQQSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000652068078 411105038 /nfs/dbraw/zinc/10/50/38/411105038.db2.gz QMJLWNAQAJAZOC-SGMGOOAPSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000652068079 411105046 /nfs/dbraw/zinc/10/50/46/411105046.db2.gz QMJLWNAQAJAZOC-YRGRVCCFSA-N 1 2 248.370 3.465 20 0 BGADLO CC[C@@H](Nc1cc(COC)cc[nH+]1)C1CCC1 ZINC000652068110 411104723 /nfs/dbraw/zinc/10/47/23/411104723.db2.gz RWSZYAUXMRGOTL-CYBMUJFWSA-N 1 2 234.343 3.219 20 0 BGADLO CC[C@H](Nc1cc(COC)cc[nH+]1)C1CCC1 ZINC000652068111 411104987 /nfs/dbraw/zinc/10/49/87/411104987.db2.gz RWSZYAUXMRGOTL-ZDUSSCGKSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)[C@H]2CC2(C)C)c1 ZINC000652068181 411105585 /nfs/dbraw/zinc/10/55/85/411105585.db2.gz VJVHCKMOBRIZRD-CMPLNLGQSA-N 1 2 234.343 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)[C@@H]2CC2(C)C)c1 ZINC000652068182 411105553 /nfs/dbraw/zinc/10/55/53/411105553.db2.gz VJVHCKMOBRIZRD-JQWIXIFHSA-N 1 2 234.343 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)[C@@H]2CC2(C)C)c1 ZINC000652068183 411105298 /nfs/dbraw/zinc/10/52/98/411105298.db2.gz VJVHCKMOBRIZRD-PWSUYJOCSA-N 1 2 234.343 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)[C@H]2CC2(C)C)c1 ZINC000652068184 411105578 /nfs/dbraw/zinc/10/55/78/411105578.db2.gz VJVHCKMOBRIZRD-ZYHUDNBSSA-N 1 2 234.343 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2C[C@H](C)CC[C@@H]2C)c1 ZINC000652068215 411105034 /nfs/dbraw/zinc/10/50/34/411105034.db2.gz WEAKQLAACDNZQS-MBNYWOFBSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2C[C@@H](C)CC[C@H]2C)c1 ZINC000652068216 411105389 /nfs/dbraw/zinc/10/53/89/411105389.db2.gz WEAKQLAACDNZQS-OUCADQQQSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2C[C@@H](C)CC[C@@H]2C)c1 ZINC000652068217 411104701 /nfs/dbraw/zinc/10/47/01/411104701.db2.gz WEAKQLAACDNZQS-SGMGOOAPSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2C[C@H](C)CC[C@H]2C)c1 ZINC000652068218 411105484 /nfs/dbraw/zinc/10/54/84/411105484.db2.gz WEAKQLAACDNZQS-YRGRVCCFSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(NC2CC(C(C)C)C2)c1 ZINC000652068230 411105407 /nfs/dbraw/zinc/10/54/07/411105407.db2.gz WNIRKVZYBNUEEE-UHFFFAOYSA-N 1 2 234.343 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC(C)(C)C2)c1 ZINC000652068265 411105168 /nfs/dbraw/zinc/10/51/68/411105168.db2.gz XGLQDESHNSPSHZ-GFCCVEGCSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CCC(C)(C)C2)c1 ZINC000652068266 411105507 /nfs/dbraw/zinc/10/55/07/411105507.db2.gz XGLQDESHNSPSHZ-LBPRGKRZSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(NC[C@H](C)CC(C)C)c1 ZINC000652068289 411105317 /nfs/dbraw/zinc/10/53/17/411105317.db2.gz YHXWLFWNYTVCOK-GFCCVEGCSA-N 1 2 236.359 3.322 20 0 BGADLO COCc1cc[nH+]c(NC[C@@H](C)CC(C)C)c1 ZINC000652068290 411104907 /nfs/dbraw/zinc/10/49/07/411104907.db2.gz YHXWLFWNYTVCOK-LBPRGKRZSA-N 1 2 236.359 3.322 20 0 BGADLO CCCC[C@@H](C)Nc1cc(COC)cc[nH+]1 ZINC000652068297 411104697 /nfs/dbraw/zinc/10/46/97/411104697.db2.gz YXGZGOORNMHQJV-LLVKDONJSA-N 1 2 222.332 3.219 20 0 BGADLO CCCC[C@H](C)Nc1cc(COC)cc[nH+]1 ZINC000652068298 411104911 /nfs/dbraw/zinc/10/49/11/411104911.db2.gz YXGZGOORNMHQJV-NSHDSACASA-N 1 2 222.332 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)CCC(C)C)c1 ZINC000652068328 411104703 /nfs/dbraw/zinc/10/47/03/411104703.db2.gz ZYJGAWYHJJPZCH-GFCCVEGCSA-N 1 2 236.359 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)CCC(C)C)c1 ZINC000652068329 411105558 /nfs/dbraw/zinc/10/55/58/411105558.db2.gz ZYJGAWYHJJPZCH-LBPRGKRZSA-N 1 2 236.359 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)c2ccccc2)c1 ZINC000652068364 411105625 /nfs/dbraw/zinc/10/56/25/411105625.db2.gz BOGTZDPWDXXSKK-GFCCVEGCSA-N 1 2 242.322 3.401 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)c2ccccc2)c1 ZINC000652068365 411105666 /nfs/dbraw/zinc/10/56/66/411105666.db2.gz BOGTZDPWDXXSKK-LBPRGKRZSA-N 1 2 242.322 3.401 20 0 BGADLO CCC[C@@H](C)CNc1cc(COC)cc[nH+]1 ZINC000652068421 411105310 /nfs/dbraw/zinc/10/53/10/411105310.db2.gz DIVCXRKQDPVZEQ-LLVKDONJSA-N 1 2 222.332 3.076 20 0 BGADLO CCC[C@H](C)CNc1cc(COC)cc[nH+]1 ZINC000652068422 411105695 /nfs/dbraw/zinc/10/56/95/411105695.db2.gz DIVCXRKQDPVZEQ-NSHDSACASA-N 1 2 222.332 3.076 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2C[C@H](C)C[C@H](C)C2)c1 ZINC000652068505 411105178 /nfs/dbraw/zinc/10/51/78/411105178.db2.gz FXXNRZAYPREQSE-IMRBUKKESA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(NC2C[C@@H](C)C[C@H](C)C2)c1 ZINC000652068506 411105463 /nfs/dbraw/zinc/10/54/63/411105463.db2.gz FXXNRZAYPREQSE-RYUDHWBXSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(NC2C[C@H](C)C[C@@H](C)C2)c1 ZINC000652068507 411104695 /nfs/dbraw/zinc/10/46/95/411104695.db2.gz FXXNRZAYPREQSE-VXGBXAGGSA-N 1 2 248.370 3.465 20 0 BGADLO CC[C@@H](Nc1cc(COC)cc[nH+]1)C(C)C ZINC000652068558 411104965 /nfs/dbraw/zinc/10/49/65/411104965.db2.gz HEMNYBODVNRZAN-GFCCVEGCSA-N 1 2 222.332 3.075 20 0 BGADLO CC[C@H](Nc1cc(COC)cc[nH+]1)C(C)C ZINC000652068559 411104778 /nfs/dbraw/zinc/10/47/78/411104778.db2.gz HEMNYBODVNRZAN-LBPRGKRZSA-N 1 2 222.332 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@@H](C)C[C@@H]2C)c1 ZINC000652068570 411104950 /nfs/dbraw/zinc/10/49/50/411104950.db2.gz HMFLWLRLAZNMJL-MBNYWOFBSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@H](C)C[C@H]2C)c1 ZINC000652068571 411104939 /nfs/dbraw/zinc/10/49/39/411104939.db2.gz HMFLWLRLAZNMJL-OUCADQQQSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@H](C)C[C@@H]2C)c1 ZINC000652068572 411104761 /nfs/dbraw/zinc/10/47/61/411104761.db2.gz HMFLWLRLAZNMJL-SGMGOOAPSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@@H](C)C[C@H]2C)c1 ZINC000652068573 411104945 /nfs/dbraw/zinc/10/49/45/411104945.db2.gz HMFLWLRLAZNMJL-YRGRVCCFSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(NCC2CCCCC2)c1 ZINC000652068608 411104690 /nfs/dbraw/zinc/10/46/90/411104690.db2.gz IZCFNNOTHSAEHC-UHFFFAOYSA-N 1 2 234.343 3.220 20 0 BGADLO CC[C@@H](C)[C@@H](C)Nc1cc(COC)cc[nH+]1 ZINC000652068637 411104715 /nfs/dbraw/zinc/10/47/15/411104715.db2.gz JYSBGPHOSMOSPB-GHMZBOCLSA-N 1 2 222.332 3.075 20 0 BGADLO CC[C@@H](C)[C@H](C)Nc1cc(COC)cc[nH+]1 ZINC000652068638 411105467 /nfs/dbraw/zinc/10/54/67/411105467.db2.gz JYSBGPHOSMOSPB-MNOVXSKESA-N 1 2 222.332 3.075 20 0 BGADLO CC[C@H](C)[C@H](C)Nc1cc(COC)cc[nH+]1 ZINC000652068639 411105650 /nfs/dbraw/zinc/10/56/50/411105650.db2.gz JYSBGPHOSMOSPB-QWRGUYRKSA-N 1 2 222.332 3.075 20 0 BGADLO CC[C@H](C)[C@@H](C)Nc1cc(COC)cc[nH+]1 ZINC000652068640 411104861 /nfs/dbraw/zinc/10/48/61/411104861.db2.gz JYSBGPHOSMOSPB-WDEREUQCSA-N 1 2 222.332 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)CC(C)C)c1 ZINC000652068649 411105116 /nfs/dbraw/zinc/10/51/16/411105116.db2.gz KEBHPMPGTHINLV-LLVKDONJSA-N 1 2 222.332 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)CC(C)C)c1 ZINC000652068650 411105245 /nfs/dbraw/zinc/10/52/45/411105245.db2.gz KEBHPMPGTHINLV-NSHDSACASA-N 1 2 222.332 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCCC2(C)C)c1 ZINC000652068712 411104729 /nfs/dbraw/zinc/10/47/29/411104729.db2.gz LZGBYSMASZPOOU-GFCCVEGCSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CCCC2(C)C)c1 ZINC000652068713 411105459 /nfs/dbraw/zinc/10/54/59/411105459.db2.gz LZGBYSMASZPOOU-LBPRGKRZSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CCCC[C@@H]2C)c1 ZINC000652068766 411104931 /nfs/dbraw/zinc/10/49/31/411104931.db2.gz OLIUBPUQQPGMHG-AAEUAGOBSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCCC[C@H]2C)c1 ZINC000652068767 411105350 /nfs/dbraw/zinc/10/53/50/411105350.db2.gz OLIUBPUQQPGMHG-DGCLKSJQSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCCC[C@@H]2C)c1 ZINC000652068768 411104684 /nfs/dbraw/zinc/10/46/84/411104684.db2.gz OLIUBPUQQPGMHG-WCQYABFASA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CCCC[C@H]2C)c1 ZINC000652068769 411105604 /nfs/dbraw/zinc/10/56/04/411105604.db2.gz OLIUBPUQQPGMHG-YPMHNXCESA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CCC[C@H](C)C2)c1 ZINC000652068897 411106310 /nfs/dbraw/zinc/10/63/10/411106310.db2.gz SHXVURPFOLPXNM-AAEUAGOBSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000652068898 411106632 /nfs/dbraw/zinc/10/66/32/411106632.db2.gz SHXVURPFOLPXNM-DGCLKSJQSA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@H](C)C2)c1 ZINC000652068899 411106935 /nfs/dbraw/zinc/10/69/35/411106935.db2.gz SHXVURPFOLPXNM-WCQYABFASA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CCC[C@@H](C)C2)c1 ZINC000652068900 411106764 /nfs/dbraw/zinc/10/67/64/411106764.db2.gz SHXVURPFOLPXNM-YPMHNXCESA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000652068939 411106946 /nfs/dbraw/zinc/10/69/46/411106946.db2.gz UTBRGSAPEQGTIB-MBNYWOFBSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000652068940 411106294 /nfs/dbraw/zinc/10/62/94/411106294.db2.gz UTBRGSAPEQGTIB-OUCADQQQSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000652068941 411106416 /nfs/dbraw/zinc/10/64/16/411106416.db2.gz UTBRGSAPEQGTIB-SGMGOOAPSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000652068942 411106354 /nfs/dbraw/zinc/10/63/54/411106354.db2.gz UTBRGSAPEQGTIB-YRGRVCCFSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(NC2CCCCCC2)c1 ZINC000652069001 411106642 /nfs/dbraw/zinc/10/66/42/411106642.db2.gz WORDEJIGMOSTKG-UHFFFAOYSA-N 1 2 234.343 3.363 20 0 BGADLO CCC(CC)CNc1cc(COC)cc[nH+]1 ZINC000652069004 411106178 /nfs/dbraw/zinc/10/61/78/411106178.db2.gz WPLPDJZRNBBGHV-UHFFFAOYSA-N 1 2 222.332 3.076 20 0 BGADLO COCc1cc[nH+]c(NC2CCC(C)CC2)c1 ZINC000652069084 411106580 /nfs/dbraw/zinc/10/65/80/411106580.db2.gz ZCTPFXZXBXZLJR-UHFFFAOYSA-N 1 2 234.343 3.219 20 0 BGADLO F[C@@H]1CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000652076902 411109218 /nfs/dbraw/zinc/10/92/18/411109218.db2.gz DFAWXTOWWQHGHF-SECBINFHSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000652076902 411109215 /nfs/dbraw/zinc/10/92/15/411109215.db2.gz DFAWXTOWWQHGHF-SECBINFHSA-N 1 2 233.739 3.335 20 0 BGADLO F[C@H]1CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000652076903 411109406 /nfs/dbraw/zinc/10/94/06/411109406.db2.gz DFAWXTOWWQHGHF-VIFPVBQESA-N 1 2 233.739 3.335 20 0 BGADLO F[C@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000652076903 411109403 /nfs/dbraw/zinc/10/94/03/411109403.db2.gz DFAWXTOWWQHGHF-VIFPVBQESA-N 1 2 233.739 3.335 20 0 BGADLO Fc1cc(C[N@@H+]2CCC[C@H](F)C2)ccc1Cl ZINC000652077516 411108714 /nfs/dbraw/zinc/10/87/14/411108714.db2.gz HPIKKACPWXHRFK-JTQLQIEISA-N 1 2 245.700 3.413 20 0 BGADLO Fc1cc(C[N@H+]2CCC[C@H](F)C2)ccc1Cl ZINC000652077516 411108711 /nfs/dbraw/zinc/10/87/11/411108711.db2.gz HPIKKACPWXHRFK-JTQLQIEISA-N 1 2 245.700 3.413 20 0 BGADLO Fc1cc(C[N@@H+]2CCC[C@@H](F)C2)ccc1Cl ZINC000652077517 411109412 /nfs/dbraw/zinc/10/94/12/411109412.db2.gz HPIKKACPWXHRFK-SNVBAGLBSA-N 1 2 245.700 3.413 20 0 BGADLO Fc1cc(C[N@H+]2CCC[C@@H](F)C2)ccc1Cl ZINC000652077517 411109410 /nfs/dbraw/zinc/10/94/10/411109410.db2.gz HPIKKACPWXHRFK-SNVBAGLBSA-N 1 2 245.700 3.413 20 0 BGADLO CCc1cccc(C[NH2+][C@H](C)c2cn[nH]c2C)c1 ZINC000652307321 487908781 /nfs/dbraw/zinc/90/87/81/487908781.db2.gz VFTLPQOVAYLMSF-LLVKDONJSA-N 1 2 243.354 3.131 20 0 BGADLO CCc1cccc(C[NH2+][C@@H](C)c2cn[nH]c2C)c1 ZINC000652307322 411197092 /nfs/dbraw/zinc/19/70/92/411197092.db2.gz VFTLPQOVAYLMSF-NSHDSACASA-N 1 2 243.354 3.131 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)c2ccc(C)o2)c1 ZINC000652330066 411201942 /nfs/dbraw/zinc/20/19/42/411201942.db2.gz SGIPQNKBCNIPKA-LLVKDONJSA-N 1 2 246.310 3.303 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)c2ccc(C)o2)c1 ZINC000652330067 411202341 /nfs/dbraw/zinc/20/23/41/411202341.db2.gz SGIPQNKBCNIPKA-NSHDSACASA-N 1 2 246.310 3.303 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)c2cccs2)c1 ZINC000652330072 411202270 /nfs/dbraw/zinc/20/22/70/411202270.db2.gz SQOMDOKBXFOBQN-JTQLQIEISA-N 1 2 248.351 3.463 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)c2cccs2)c1 ZINC000652330073 411202368 /nfs/dbraw/zinc/20/23/68/411202368.db2.gz SQOMDOKBXFOBQN-SNVBAGLBSA-N 1 2 248.351 3.463 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)C(C)(C)C)c1 ZINC000652330618 411202197 /nfs/dbraw/zinc/20/21/97/411202197.db2.gz KZNSUSLIJRALQY-JTQLQIEISA-N 1 2 222.332 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)C(C)(C)C)c1 ZINC000652330619 411202502 /nfs/dbraw/zinc/20/25/02/411202502.db2.gz KZNSUSLIJRALQY-SNVBAGLBSA-N 1 2 222.332 3.075 20 0 BGADLO CC[C@@H]1CCC[C@H]1Nc1cc(COC)cc[nH+]1 ZINC000652330622 411202285 /nfs/dbraw/zinc/20/22/85/411202285.db2.gz LCWDEWAYZFEPBY-CHWSQXEVSA-N 1 2 234.343 3.219 20 0 BGADLO CC[C@@H]1CCC[C@@H]1Nc1cc(COC)cc[nH+]1 ZINC000652330623 411201986 /nfs/dbraw/zinc/20/19/86/411201986.db2.gz LCWDEWAYZFEPBY-OLZOCXBDSA-N 1 2 234.343 3.219 20 0 BGADLO CC[C@H]1CCC[C@H]1Nc1cc(COC)cc[nH+]1 ZINC000652330624 411202426 /nfs/dbraw/zinc/20/24/26/411202426.db2.gz LCWDEWAYZFEPBY-QWHCGFSZSA-N 1 2 234.343 3.219 20 0 BGADLO CC[C@H]1CCC[C@@H]1Nc1cc(COC)cc[nH+]1 ZINC000652330625 411202815 /nfs/dbraw/zinc/20/28/15/411202815.db2.gz LCWDEWAYZFEPBY-STQMWFEESA-N 1 2 234.343 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)c2ccsc2)c1 ZINC000652330884 411202219 /nfs/dbraw/zinc/20/22/19/411202219.db2.gz RQBXEBAJFSCYII-JTQLQIEISA-N 1 2 248.351 3.463 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)c2ccsc2)c1 ZINC000652330885 411202067 /nfs/dbraw/zinc/20/20/67/411202067.db2.gz RQBXEBAJFSCYII-SNVBAGLBSA-N 1 2 248.351 3.463 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@H]2C(C)(C)C)c1 ZINC000652330911 411202192 /nfs/dbraw/zinc/20/21/92/411202192.db2.gz SJPHVIYWXOFWAX-CHWSQXEVSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CC[C@H]2C(C)(C)C)c1 ZINC000652330912 411202558 /nfs/dbraw/zinc/20/25/58/411202558.db2.gz SJPHVIYWXOFWAX-OLZOCXBDSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000652330913 411202292 /nfs/dbraw/zinc/20/22/92/411202292.db2.gz SJPHVIYWXOFWAX-QWHCGFSZSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CC[C@@H]2C(C)(C)C)c1 ZINC000652330914 411202760 /nfs/dbraw/zinc/20/27/60/411202760.db2.gz SJPHVIYWXOFWAX-STQMWFEESA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC23CCCC3)c1 ZINC000652330996 487921342 /nfs/dbraw/zinc/92/13/42/487921342.db2.gz UYNFLCJWZSVGCE-CYBMUJFWSA-N 1 2 246.354 3.363 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CCC23CCCC3)c1 ZINC000652330997 487921194 /nfs/dbraw/zinc/92/11/94/487921194.db2.gz UYNFLCJWZSVGCE-ZDUSSCGKSA-N 1 2 246.354 3.363 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2[C@H](C)CCC[C@@H]2C)c1 ZINC000652331166 487920974 /nfs/dbraw/zinc/92/09/74/487920974.db2.gz ZSFUPMWPPZQLFP-JYAVWHMHSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(NC2[C@@H](C)CCC[C@@H]2C)c1 ZINC000652331167 487920964 /nfs/dbraw/zinc/92/09/64/487920964.db2.gz ZSFUPMWPPZQLFP-RYUDHWBXSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(NC2[C@H](C)CCC[C@H]2C)c1 ZINC000652331168 487921536 /nfs/dbraw/zinc/92/15/36/487921536.db2.gz ZSFUPMWPPZQLFP-VXGBXAGGSA-N 1 2 248.370 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C2CC2)C2CCC2)c1 ZINC000652331269 487921157 /nfs/dbraw/zinc/92/11/57/487921157.db2.gz BMMUIPGBWAYLMK-HNNXBMFYSA-N 1 2 246.354 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C2CC2)C2CCC2)c1 ZINC000652331270 487920773 /nfs/dbraw/zinc/92/07/73/487920773.db2.gz BMMUIPGBWAYLMK-OAHLLOKOSA-N 1 2 246.354 3.219 20 0 BGADLO CC[C@H](Nc1cc(COC)cc[nH+]1)[C@H]1C[C@@H]1C ZINC000652331334 487920782 /nfs/dbraw/zinc/92/07/82/487920782.db2.gz DLFVKEKNKMZFLK-DRZSPHRISA-N 1 2 234.343 3.075 20 0 BGADLO CC[C@H](Nc1cc(COC)cc[nH+]1)[C@@H]1C[C@H]1C ZINC000652331335 487921480 /nfs/dbraw/zinc/92/14/80/487921480.db2.gz DLFVKEKNKMZFLK-RTXFEEFZSA-N 1 2 234.343 3.075 20 0 BGADLO CC[C@H](Nc1cc(COC)cc[nH+]1)[C@@H]1C[C@@H]1C ZINC000652331336 487920912 /nfs/dbraw/zinc/92/09/12/487920912.db2.gz DLFVKEKNKMZFLK-UHTWSYAYSA-N 1 2 234.343 3.075 20 0 BGADLO CC[C@H](Nc1cc(COC)cc[nH+]1)[C@H]1C[C@H]1C ZINC000652331337 487920884 /nfs/dbraw/zinc/92/08/84/487920884.db2.gz DLFVKEKNKMZFLK-WXHSDQCUSA-N 1 2 234.343 3.075 20 0 BGADLO CCC[C@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000653176636 410152120 /nfs/dbraw/zinc/15/21/20/410152120.db2.gz AEACGGBAAFWPKZ-JTQLQIEISA-N 1 2 249.358 3.317 20 0 BGADLO CCC[C@@H](C)NC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000653176637 410152389 /nfs/dbraw/zinc/15/23/89/410152389.db2.gz AEACGGBAAFWPKZ-SNVBAGLBSA-N 1 2 249.358 3.317 20 0 BGADLO Cn1c[nH+]cc1-c1cccc(C2CCC2)c1 ZINC000653509899 487952862 /nfs/dbraw/zinc/95/28/62/487952862.db2.gz BJZNSPLNCMMREV-UHFFFAOYSA-N 1 2 212.296 3.355 20 0 BGADLO COCC[N@@H+](CCC(C)(C)C1CC1)CC(F)F ZINC000653544033 487963543 /nfs/dbraw/zinc/96/35/43/487963543.db2.gz JPADZRPTTSSWRT-UHFFFAOYSA-N 1 2 249.345 3.026 20 0 BGADLO COCC[N@H+](CCC(C)(C)C1CC1)CC(F)F ZINC000653544033 487963540 /nfs/dbraw/zinc/96/35/40/487963540.db2.gz JPADZRPTTSSWRT-UHFFFAOYSA-N 1 2 249.345 3.026 20 0 BGADLO C[N@@H+](CCC(C)(C)C1CC1)CC(F)F ZINC000653544180 487963504 /nfs/dbraw/zinc/96/35/04/487963504.db2.gz PATINKJEUYAXRB-UHFFFAOYSA-N 1 2 205.292 3.010 20 0 BGADLO C[N@H+](CCC(C)(C)C1CC1)CC(F)F ZINC000653544180 487963502 /nfs/dbraw/zinc/96/35/02/487963502.db2.gz PATINKJEUYAXRB-UHFFFAOYSA-N 1 2 205.292 3.010 20 0 BGADLO C[N@@H+](CCCc1c(F)cccc1F)CC(F)F ZINC000653544412 487963758 /nfs/dbraw/zinc/96/37/58/487963758.db2.gz XAAGICVYULZYSS-UHFFFAOYSA-N 1 2 249.251 3.094 20 0 BGADLO C[N@H+](CCCc1c(F)cccc1F)CC(F)F ZINC000653544412 487963755 /nfs/dbraw/zinc/96/37/55/487963755.db2.gz XAAGICVYULZYSS-UHFFFAOYSA-N 1 2 249.251 3.094 20 0 BGADLO FCCCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830464 411195655 /nfs/dbraw/zinc/19/56/55/411195655.db2.gz BBINAAFWBBNIQV-UHFFFAOYSA-N 1 2 243.272 3.420 20 0 BGADLO CC(C)=CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653830468 411195587 /nfs/dbraw/zinc/19/55/87/411195587.db2.gz BBWLKMUOXBYGMD-UHFFFAOYSA-N 1 2 223.266 3.247 20 0 BGADLO Fc1cc2c(cc1F)C[NH+](CC1=CCCC1)C2 ZINC000653830906 411196051 /nfs/dbraw/zinc/19/60/51/411196051.db2.gz NKBUPYAGYKRPAJ-UHFFFAOYSA-N 1 2 235.277 3.391 20 0 BGADLO FCCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653831026 411196119 /nfs/dbraw/zinc/19/61/19/411196119.db2.gz RLWMHNXQQQCEQA-UHFFFAOYSA-N 1 2 229.245 3.030 20 0 BGADLO CCCC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000653833607 411196402 /nfs/dbraw/zinc/19/64/02/411196402.db2.gz ODPRMWIAIMONCH-UHFFFAOYSA-N 1 2 211.255 3.081 20 0 BGADLO CCC(C)(CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000654380192 411383108 /nfs/dbraw/zinc/38/31/08/411383108.db2.gz ZHWMPYMMKYFPFV-UHFFFAOYSA-N 1 2 248.370 3.141 20 0 BGADLO c1c[nH+]c(COCCC2CCCCCC2)[nH]1 ZINC000655497571 410964605 /nfs/dbraw/zinc/96/46/05/410964605.db2.gz TZOWJNBWNKIVAK-UHFFFAOYSA-N 1 2 222.332 3.287 20 0 BGADLO CC(C)(CCOc1cc[nH+]cc1)C1CC1 ZINC000655680659 411222800 /nfs/dbraw/zinc/22/28/00/411222800.db2.gz HONMYBBXAFHGSS-UHFFFAOYSA-N 1 2 205.301 3.287 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1ccc(C)nc1 ZINC000655681345 411223209 /nfs/dbraw/zinc/22/32/09/411223209.db2.gz KGJBSBYACQRNTJ-UHFFFAOYSA-N 1 2 242.322 3.235 20 0 BGADLO CCc1nocc1COc1ccc(C)[nH+]c1CC ZINC000655681395 411222892 /nfs/dbraw/zinc/22/28/92/411222892.db2.gz KVFQICZSUWAUCB-UHFFFAOYSA-N 1 2 246.310 3.082 20 0 BGADLO CCc1cnn(Cc2ccc(C(C)C)[nH+]c2C)c1 ZINC000655689629 411233468 /nfs/dbraw/zinc/23/34/68/411233468.db2.gz HZZQVRGVNKMQRW-UHFFFAOYSA-N 1 2 243.354 3.321 20 0 BGADLO Cc1ccc(Cn2cc(C3CCC3)cn2)c(C)[nH+]1 ZINC000655689766 411234169 /nfs/dbraw/zinc/23/41/69/411234169.db2.gz NHNLIDLCPNZKBZ-UHFFFAOYSA-N 1 2 241.338 3.211 20 0 BGADLO Cc1ccc(N[C@@H]2CCCn3cc[nH+]c32)cc1F ZINC000655738168 411444834 /nfs/dbraw/zinc/44/48/34/411444834.db2.gz JDRWOUBELHYDFT-CYBMUJFWSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1ccc(N[C@H]2CCCn3cc[nH+]c32)cc1F ZINC000655738169 411444083 /nfs/dbraw/zinc/44/40/83/411444083.db2.gz JDRWOUBELHYDFT-ZDUSSCGKSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1cccc(N[C@H]2CCCn3cc[nH+]c32)c1C ZINC000655738304 411444438 /nfs/dbraw/zinc/44/44/38/411444438.db2.gz JPDRMEQJYZETJQ-AWEZNQCLSA-N 1 2 241.338 3.447 20 0 BGADLO Cc1cccc(N[C@@H]2CCCn3cc[nH+]c32)c1C ZINC000655738305 411444462 /nfs/dbraw/zinc/44/44/62/411444462.db2.gz JPDRMEQJYZETJQ-CQSZACIVSA-N 1 2 241.338 3.447 20 0 BGADLO CCc1cccc(N[C@H]2CCCn3cc[nH+]c32)c1 ZINC000655738355 411444955 /nfs/dbraw/zinc/44/49/55/411444955.db2.gz LCTJDBMMBPZAQV-AWEZNQCLSA-N 1 2 241.338 3.393 20 0 BGADLO CCc1cccc(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000655738356 411444754 /nfs/dbraw/zinc/44/47/54/411444754.db2.gz LCTJDBMMBPZAQV-CQSZACIVSA-N 1 2 241.338 3.393 20 0 BGADLO Cc1cccc(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000655738605 411444858 /nfs/dbraw/zinc/44/48/58/411444858.db2.gz MPAZFADBTVBCIP-CYBMUJFWSA-N 1 2 227.311 3.139 20 0 BGADLO Cc1cccc(N[C@H]2CCCn3cc[nH+]c32)c1 ZINC000655738606 411444527 /nfs/dbraw/zinc/44/45/27/411444527.db2.gz MPAZFADBTVBCIP-ZDUSSCGKSA-N 1 2 227.311 3.139 20 0 BGADLO Cc1ccc(N[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000655738940 411444639 /nfs/dbraw/zinc/44/46/39/411444639.db2.gz QWUQONWIOASCHI-CYBMUJFWSA-N 1 2 227.311 3.139 20 0 BGADLO Cc1ccc(N[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000655738941 411444782 /nfs/dbraw/zinc/44/47/82/411444782.db2.gz QWUQONWIOASCHI-ZDUSSCGKSA-N 1 2 227.311 3.139 20 0 BGADLO CCc1ccccc1N[C@H]1CCCn2cc[nH+]c21 ZINC000655739113 411444683 /nfs/dbraw/zinc/44/46/83/411444683.db2.gz WZVLFFQNSSIWAA-AWEZNQCLSA-N 1 2 241.338 3.393 20 0 BGADLO CCc1ccccc1N[C@@H]1CCCn2cc[nH+]c21 ZINC000655739114 411444339 /nfs/dbraw/zinc/44/43/39/411444339.db2.gz WZVLFFQNSSIWAA-CQSZACIVSA-N 1 2 241.338 3.393 20 0 BGADLO CCc1ccc(N[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000655739127 411445043 /nfs/dbraw/zinc/44/50/43/411445043.db2.gz XFKUVEQQBNEKAN-AWEZNQCLSA-N 1 2 241.338 3.393 20 0 BGADLO CCc1ccc(N[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000655739128 411444401 /nfs/dbraw/zinc/44/44/01/411444401.db2.gz XFKUVEQQBNEKAN-CQSZACIVSA-N 1 2 241.338 3.393 20 0 BGADLO Clc1cccc(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000655742573 411447360 /nfs/dbraw/zinc/44/73/60/411447360.db2.gz VCVJESHCQMFZGU-GFCCVEGCSA-N 1 2 247.729 3.484 20 0 BGADLO Clc1cccc(N[C@H]2CCCn3cc[nH+]c32)c1 ZINC000655742574 411447544 /nfs/dbraw/zinc/44/75/44/411447544.db2.gz VCVJESHCQMFZGU-LBPRGKRZSA-N 1 2 247.729 3.484 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CC[C@H](C)SC1 ZINC000655745754 411447366 /nfs/dbraw/zinc/44/73/66/411447366.db2.gz DKJKCBIDEULCPI-GXSJLCMTSA-N 1 2 222.357 3.086 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CC[C@@H](C)SC1 ZINC000655745755 411446974 /nfs/dbraw/zinc/44/69/74/411446974.db2.gz DKJKCBIDEULCPI-KOLCDFICSA-N 1 2 222.357 3.086 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CC[C@@H](C)SC1 ZINC000655745756 411446884 /nfs/dbraw/zinc/44/68/84/411446884.db2.gz DKJKCBIDEULCPI-MWLCHTKSSA-N 1 2 222.357 3.086 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CC[C@H](C)SC1 ZINC000655745757 411447453 /nfs/dbraw/zinc/44/74/53/411447453.db2.gz DKJKCBIDEULCPI-ONGXEEELSA-N 1 2 222.357 3.086 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@H](C)SC2)c(C)[nH+]1 ZINC000655745920 411448483 /nfs/dbraw/zinc/44/84/83/411448483.db2.gz IHDDEGGODINARP-CMPLNLGQSA-N 1 2 236.384 3.394 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@H](C)SC2)c(C)[nH+]1 ZINC000655745921 411448437 /nfs/dbraw/zinc/44/84/37/411448437.db2.gz IHDDEGGODINARP-JQWIXIFHSA-N 1 2 236.384 3.394 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@@H](C)SC2)c(C)[nH+]1 ZINC000655745922 411448055 /nfs/dbraw/zinc/44/80/55/411448055.db2.gz IHDDEGGODINARP-PWSUYJOCSA-N 1 2 236.384 3.394 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@@H](C)SC2)c(C)[nH+]1 ZINC000655745923 411448456 /nfs/dbraw/zinc/44/84/56/411448456.db2.gz IHDDEGGODINARP-ZYHUDNBSSA-N 1 2 236.384 3.394 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CC[C@@H](C)SC2)c1 ZINC000655745958 411448275 /nfs/dbraw/zinc/44/82/75/411448275.db2.gz JOXOSJDXMVBDTQ-GHMZBOCLSA-N 1 2 222.357 3.086 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CC[C@@H](C)SC2)c1 ZINC000655745959 411447897 /nfs/dbraw/zinc/44/78/97/411447897.db2.gz JOXOSJDXMVBDTQ-MNOVXSKESA-N 1 2 222.357 3.086 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CC[C@H](C)SC2)c1 ZINC000655745960 411447884 /nfs/dbraw/zinc/44/78/84/411447884.db2.gz JOXOSJDXMVBDTQ-QWRGUYRKSA-N 1 2 222.357 3.086 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CC[C@H](C)SC2)c1 ZINC000655745961 411448355 /nfs/dbraw/zinc/44/83/55/411448355.db2.gz JOXOSJDXMVBDTQ-WDEREUQCSA-N 1 2 222.357 3.086 20 0 BGADLO Cc1cscc1N[C@H]1CCCn2cc[nH+]c21 ZINC000655745994 411448030 /nfs/dbraw/zinc/44/80/30/411448030.db2.gz KGPGCDSQUZIIHA-JTQLQIEISA-N 1 2 233.340 3.200 20 0 BGADLO Cc1cscc1N[C@@H]1CCCn2cc[nH+]c21 ZINC000655745995 411448249 /nfs/dbraw/zinc/44/82/49/411448249.db2.gz KGPGCDSQUZIIHA-SNVBAGLBSA-N 1 2 233.340 3.200 20 0 BGADLO Clc1ccc(N[C@@H]2CCCn3cc[nH+]c32)cc1 ZINC000655746027 411448174 /nfs/dbraw/zinc/44/81/74/411448174.db2.gz LBDSCPZWPCMHGC-GFCCVEGCSA-N 1 2 247.729 3.484 20 0 BGADLO Clc1ccc(N[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000655746028 411448294 /nfs/dbraw/zinc/44/82/94/411448294.db2.gz LBDSCPZWPCMHGC-LBPRGKRZSA-N 1 2 247.729 3.484 20 0 BGADLO Cc1cc(N[C@@H]2CCCn3cc[nH+]c32)ccc1F ZINC000655746042 411447917 /nfs/dbraw/zinc/44/79/17/411447917.db2.gz LNKVZAAILKEFRW-CYBMUJFWSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1cc(N[C@H]2CCCn3cc[nH+]c32)ccc1F ZINC000655746043 411447890 /nfs/dbraw/zinc/44/78/90/411447890.db2.gz LNKVZAAILKEFRW-ZDUSSCGKSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@H](C)SC2)c[nH+]1 ZINC000655746574 411448021 /nfs/dbraw/zinc/44/80/21/411448021.db2.gz XSOZXBDVYMTNPL-CMPLNLGQSA-N 1 2 222.357 3.086 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@H](C)SC2)c[nH+]1 ZINC000655746575 411448520 /nfs/dbraw/zinc/44/85/20/411448520.db2.gz XSOZXBDVYMTNPL-JQWIXIFHSA-N 1 2 222.357 3.086 20 0 BGADLO Cc1ccc(N[C@H]2CC[C@@H](C)SC2)c[nH+]1 ZINC000655746576 411448269 /nfs/dbraw/zinc/44/82/69/411448269.db2.gz XSOZXBDVYMTNPL-PWSUYJOCSA-N 1 2 222.357 3.086 20 0 BGADLO Cc1ccc(N[C@@H]2CC[C@@H](C)SC2)c[nH+]1 ZINC000655746577 411448348 /nfs/dbraw/zinc/44/83/48/411448348.db2.gz XSOZXBDVYMTNPL-ZYHUDNBSSA-N 1 2 222.357 3.086 20 0 BGADLO Cc1cc(F)cc(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000655746646 411448509 /nfs/dbraw/zinc/44/85/09/411448509.db2.gz CVDNIHSYCBWVIM-CYBMUJFWSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1cc(F)cc(N[C@H]2CCCn3cc[nH+]c32)c1 ZINC000655746648 411448394 /nfs/dbraw/zinc/44/83/94/411448394.db2.gz CVDNIHSYCBWVIM-ZDUSSCGKSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1ccc(F)cc1N[C@@H]1CCCn2cc[nH+]c21 ZINC000655746784 411447863 /nfs/dbraw/zinc/44/78/63/411447863.db2.gz FWQPJLUNXGTTDT-GFCCVEGCSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1ccc(F)cc1N[C@H]1CCCn2cc[nH+]c21 ZINC000655746785 411448428 /nfs/dbraw/zinc/44/84/28/411448428.db2.gz FWQPJLUNXGTTDT-LBPRGKRZSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1c(F)cccc1N[C@@H]1CCCn2cc[nH+]c21 ZINC000655747101 411448467 /nfs/dbraw/zinc/44/84/67/411448467.db2.gz MGVLMLQNRNUGKY-CYBMUJFWSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1c(F)cccc1N[C@H]1CCCn2cc[nH+]c21 ZINC000655747102 411448226 /nfs/dbraw/zinc/44/82/26/411448226.db2.gz MGVLMLQNRNUGKY-ZDUSSCGKSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1ccc(C)c(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000655747348 411447855 /nfs/dbraw/zinc/44/78/55/411447855.db2.gz PGBRNBYISXEPBZ-CYBMUJFWSA-N 1 2 241.338 3.447 20 0 BGADLO Cc1ccc(C)c(N[C@H]2CCCn3cc[nH+]c32)c1 ZINC000655747349 411448450 /nfs/dbraw/zinc/44/84/50/411448450.db2.gz PGBRNBYISXEPBZ-ZDUSSCGKSA-N 1 2 241.338 3.447 20 0 BGADLO Cc1cc(F)ccc1N[C@@H]1CCCn2cc[nH+]c21 ZINC000655747465 411448562 /nfs/dbraw/zinc/44/85/62/411448562.db2.gz GLDMDHNMQJGFJI-CYBMUJFWSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1cc(F)ccc1N[C@H]1CCCn2cc[nH+]c21 ZINC000655747466 411447811 /nfs/dbraw/zinc/44/78/11/411447811.db2.gz GLDMDHNMQJGFJI-ZDUSSCGKSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1cccc(N[C@@H]2CCCn3cc[nH+]c32)c1F ZINC000655747616 411448306 /nfs/dbraw/zinc/44/83/06/411448306.db2.gz HRGHEVZZSKZPNX-GFCCVEGCSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1cccc(N[C@H]2CCCn3cc[nH+]c32)c1F ZINC000655747617 411448319 /nfs/dbraw/zinc/44/83/19/411448319.db2.gz HRGHEVZZSKZPNX-LBPRGKRZSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1ccc(N[C@H]2CCCn3cc[nH+]c32)c(C)c1 ZINC000655748259 411448445 /nfs/dbraw/zinc/44/84/45/411448445.db2.gz VAONDAIEUPAFCO-AWEZNQCLSA-N 1 2 241.338 3.447 20 0 BGADLO Cc1ccc(N[C@@H]2CCCn3cc[nH+]c32)c(C)c1 ZINC000655748260 411447830 /nfs/dbraw/zinc/44/78/30/411447830.db2.gz VAONDAIEUPAFCO-CQSZACIVSA-N 1 2 241.338 3.447 20 0 BGADLO Cc1ccc(N[C@@H]2CCCn3cc[nH+]c32)c(F)c1 ZINC000655748761 411161955 /nfs/dbraw/zinc/16/19/55/411161955.db2.gz IIWHGNGJWCVJIW-CYBMUJFWSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1ccc(N[C@H]2CCCn3cc[nH+]c32)c(F)c1 ZINC000655748762 411161893 /nfs/dbraw/zinc/16/18/93/411161893.db2.gz IIWHGNGJWCVJIW-ZDUSSCGKSA-N 1 2 245.301 3.278 20 0 BGADLO Fc1ccc(N[C@@H]2CCCn3cc[nH+]c32)cc1F ZINC000655749669 411161376 /nfs/dbraw/zinc/16/13/76/411161376.db2.gz WQHDMKUPVOHITH-GFCCVEGCSA-N 1 2 249.264 3.108 20 0 BGADLO Fc1ccc(N[C@H]2CCCn3cc[nH+]c32)cc1F ZINC000655749670 411161999 /nfs/dbraw/zinc/16/19/99/411161999.db2.gz WQHDMKUPVOHITH-LBPRGKRZSA-N 1 2 249.264 3.108 20 0 BGADLO Cc1ccc(F)c(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000655749700 411161572 /nfs/dbraw/zinc/16/15/72/411161572.db2.gz XNKGPSGYRUDXPB-GFCCVEGCSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1ccc(F)c(N[C@H]2CCCn3cc[nH+]c32)c1 ZINC000655749701 411161781 /nfs/dbraw/zinc/16/17/81/411161781.db2.gz XNKGPSGYRUDXPB-LBPRGKRZSA-N 1 2 245.301 3.278 20 0 BGADLO CC(C)([NH2+]Cc1ccc2[nH]ccc2c1)C(F)F ZINC000655767998 411250893 /nfs/dbraw/zinc/25/08/93/411250893.db2.gz BTXVBSUKJBKONO-UHFFFAOYSA-N 1 2 238.281 3.301 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CC[C@H](C)SC1 ZINC000655799781 411516804 /nfs/dbraw/zinc/51/68/04/411516804.db2.gz PMJNDTBXSDZUFA-CMPLNLGQSA-N 1 2 236.384 3.340 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CC[C@H](C)SC1 ZINC000655799782 411517479 /nfs/dbraw/zinc/51/74/79/411517479.db2.gz PMJNDTBXSDZUFA-JQWIXIFHSA-N 1 2 236.384 3.340 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CC[C@@H](C)SC1 ZINC000655799783 411517527 /nfs/dbraw/zinc/51/75/27/411517527.db2.gz PMJNDTBXSDZUFA-PWSUYJOCSA-N 1 2 236.384 3.340 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CC[C@@H](C)SC1 ZINC000655799784 411517155 /nfs/dbraw/zinc/51/71/55/411517155.db2.gz PMJNDTBXSDZUFA-ZYHUDNBSSA-N 1 2 236.384 3.340 20 0 BGADLO Cc1cc(N[C@@H]2CCn3cc[nH+]c32)ccc1Cl ZINC000655846534 411536124 /nfs/dbraw/zinc/53/61/24/411536124.db2.gz HLDZXQROCFBLKC-GFCCVEGCSA-N 1 2 247.729 3.402 20 0 BGADLO Cc1cc(N[C@H]2CCn3cc[nH+]c32)ccc1Cl ZINC000655846537 411536170 /nfs/dbraw/zinc/53/61/70/411536170.db2.gz HLDZXQROCFBLKC-LBPRGKRZSA-N 1 2 247.729 3.402 20 0 BGADLO CCn1cc[nH+]c1CNc1ccc(Cl)c(C)c1 ZINC000655854240 411537678 /nfs/dbraw/zinc/53/76/78/411537678.db2.gz SVXKYLUJWBLSQB-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1c[nH+]cc1CNc1ccc(Cl)c(C)c1 ZINC000655854540 411538289 /nfs/dbraw/zinc/53/82/89/411538289.db2.gz IPCDSQYGAFTJKA-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO Cc1ccc(CNc2nc(C)[nH+]cc2C)cc1F ZINC000656109363 411179966 /nfs/dbraw/zinc/17/99/66/411179966.db2.gz RAIOBUGEVYRACR-UHFFFAOYSA-N 1 2 245.301 3.153 20 0 BGADLO Cc1ccsc1CNc1nc(C)[nH+]cc1C ZINC000656111980 411181259 /nfs/dbraw/zinc/18/12/59/411181259.db2.gz GUANQLDCOGNLEY-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO CCC1(C)CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000656114897 411181575 /nfs/dbraw/zinc/18/15/75/411181575.db2.gz JMRCQXNCKFTLCP-UHFFFAOYSA-N 1 2 233.359 3.110 20 0 BGADLO Cc1ccsc1CCNc1nc(C)[nH+]cc1C ZINC000656152506 411186726 /nfs/dbraw/zinc/18/67/26/411186726.db2.gz LMSMCIAHSLOGKX-UHFFFAOYSA-N 1 2 247.367 3.118 20 0 BGADLO CC[C@@H](Nc1cc[nH+]c(C)n1)c1ccccc1F ZINC000656205769 411207694 /nfs/dbraw/zinc/20/76/94/411207694.db2.gz KNNJNRRABJXMOG-CYBMUJFWSA-N 1 2 245.301 3.487 20 0 BGADLO CC[C@@H](Nc1cc(C)[nH+]cn1)c1ccccc1F ZINC000656206468 411209605 /nfs/dbraw/zinc/20/96/05/411209605.db2.gz QIFZWBUOZVDGCB-CYBMUJFWSA-N 1 2 245.301 3.487 20 0 BGADLO Cc1cc(NC2(C)CC=CC2)nc(C2CC2)[nH+]1 ZINC000656207598 411209570 /nfs/dbraw/zinc/20/95/70/411209570.db2.gz KPEIRDPGTBCEAI-UHFFFAOYSA-N 1 2 229.327 3.183 20 0 BGADLO CCCN(c1cc[nH+]c(C(C)C)n1)C(C)C ZINC000656207855 411210908 /nfs/dbraw/zinc/21/09/08/411210908.db2.gz GLGXTVIRZYDPCZ-UHFFFAOYSA-N 1 2 221.348 3.225 20 0 BGADLO CC(C)(C)c1nc(NC2(C)CC=CC2)cc[nH+]1 ZINC000656208777 411209089 /nfs/dbraw/zinc/20/90/89/411209089.db2.gz UBEXHTUHVNCOMC-UHFFFAOYSA-N 1 2 231.343 3.295 20 0 BGADLO Cc1cnc(NCCc2[nH+]cc(C)cc2C)s1 ZINC000656211173 411210263 /nfs/dbraw/zinc/21/02/63/411210263.db2.gz RMPFDVPLZOPXOD-UHFFFAOYSA-N 1 2 247.367 3.118 20 0 BGADLO COCC1(CNc2ccc3ccccc3[nH+]2)CC1 ZINC000656214115 411211614 /nfs/dbraw/zinc/21/16/14/411211614.db2.gz NZGZMUJZAGVPBP-UHFFFAOYSA-N 1 2 242.322 3.073 20 0 BGADLO Cc1nc(N2CCC[C@H]2CC2CCCC2)cc[nH+]1 ZINC000656226038 411215733 /nfs/dbraw/zinc/21/57/33/411215733.db2.gz DWWKKEJTUVRRLL-AWEZNQCLSA-N 1 2 245.370 3.334 20 0 BGADLO Cc1nc(N2CCC[C@@H]2CC2CCCC2)cc[nH+]1 ZINC000656226039 411215149 /nfs/dbraw/zinc/21/51/49/411215149.db2.gz DWWKKEJTUVRRLL-CQSZACIVSA-N 1 2 245.370 3.334 20 0 BGADLO Cc1cc(N2CCC[C@H]2CC2CCCC2)nc[nH+]1 ZINC000656229136 411214103 /nfs/dbraw/zinc/21/41/03/411214103.db2.gz YRNYFCJYVFWKTO-AWEZNQCLSA-N 1 2 245.370 3.334 20 0 BGADLO Cc1cc(N2CCC[C@@H]2CC2CCCC2)nc[nH+]1 ZINC000656229137 411214389 /nfs/dbraw/zinc/21/43/89/411214389.db2.gz YRNYFCJYVFWKTO-CQSZACIVSA-N 1 2 245.370 3.334 20 0 BGADLO C[C@@H]1CN(c2cccc[nH+]2)CC2(CCCCC2)O1 ZINC000656230808 411216755 /nfs/dbraw/zinc/21/67/55/411216755.db2.gz WQSPPNUVQPPHRZ-CYBMUJFWSA-N 1 2 246.354 3.010 20 0 BGADLO C[C@H]1CN(c2cccc[nH+]2)CC2(CCCCC2)O1 ZINC000656230809 411216558 /nfs/dbraw/zinc/21/65/58/411216558.db2.gz WQSPPNUVQPPHRZ-ZDUSSCGKSA-N 1 2 246.354 3.010 20 0 BGADLO FC1(F)CC12C[NH+](Cc1sccc1Cl)C2 ZINC000656265332 411220479 /nfs/dbraw/zinc/22/04/79/411220479.db2.gz JRDXXUOXPZZERV-UHFFFAOYSA-N 1 2 249.713 3.243 20 0 BGADLO FC1(F)CC12C[NH+](Cc1cscc1Cl)C2 ZINC000656265501 411219924 /nfs/dbraw/zinc/21/99/24/411219924.db2.gz AFDUROSEUWTOOT-UHFFFAOYSA-N 1 2 249.713 3.243 20 0 BGADLO FC1(F)CC12C[NH+](Cc1ccsc1Cl)C2 ZINC000656265692 411221574 /nfs/dbraw/zinc/22/15/74/411221574.db2.gz WVWSJTYKBRWDLS-UHFFFAOYSA-N 1 2 249.713 3.243 20 0 BGADLO FC1(F)CC12C[NH+](Cc1ccc(Cl)s1)C2 ZINC000656265843 411221848 /nfs/dbraw/zinc/22/18/48/411221848.db2.gz LCNAGFWBMHTRRU-UHFFFAOYSA-N 1 2 249.713 3.243 20 0 BGADLO FC1(F)CC12C[NH+](Cc1ccccc1Cl)C2 ZINC000656267172 411221785 /nfs/dbraw/zinc/22/17/85/411221785.db2.gz SSBISJOECNWILB-UHFFFAOYSA-N 1 2 243.684 3.181 20 0 BGADLO FC1(F)CC12C[NH+](Cc1ccc(Cl)cc1)C2 ZINC000656267425 411222420 /nfs/dbraw/zinc/22/24/20/411222420.db2.gz VOPDXYOCCIHVBN-UHFFFAOYSA-N 1 2 243.684 3.181 20 0 BGADLO FC1(F)CC12C[NH+](Cc1cccc(Cl)c1)C2 ZINC000656267484 411222532 /nfs/dbraw/zinc/22/25/32/411222532.db2.gz XPQUNHAQSAALPR-UHFFFAOYSA-N 1 2 243.684 3.181 20 0 BGADLO COc1ccc2c(c1)C[N@H+](Cc1ccsc1)C2 ZINC000656274648 411224207 /nfs/dbraw/zinc/22/42/07/411224207.db2.gz DAYWBFLEUKJMNI-UHFFFAOYSA-N 1 2 245.347 3.273 20 0 BGADLO COc1ccc2c(c1)C[N@@H+](Cc1ccsc1)C2 ZINC000656274648 411224204 /nfs/dbraw/zinc/22/42/04/411224204.db2.gz DAYWBFLEUKJMNI-UHFFFAOYSA-N 1 2 245.347 3.273 20 0 BGADLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C)o1)C2 ZINC000656274718 411223829 /nfs/dbraw/zinc/22/38/29/411223829.db2.gz FGKMRLVNRZCDMW-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C)o1)C2 ZINC000656274718 411223825 /nfs/dbraw/zinc/22/38/25/411223825.db2.gz FGKMRLVNRZCDMW-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO COc1ccc2c(c1)C[N@H+](Cc1occc1C)C2 ZINC000656275573 411225011 /nfs/dbraw/zinc/22/50/11/411225011.db2.gz NXTRYTKMIIRQIM-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO COc1ccc2c(c1)C[N@@H+](Cc1occc1C)C2 ZINC000656275573 411225008 /nfs/dbraw/zinc/22/50/08/411225008.db2.gz NXTRYTKMIIRQIM-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO CC1(C[NH+]2Cc3cc(F)c(F)cc3C2)CC1 ZINC000656275581 411224592 /nfs/dbraw/zinc/22/45/92/411224592.db2.gz OIVUPCKEGIMENG-UHFFFAOYSA-N 1 2 223.266 3.081 20 0 BGADLO COc1ccc2c(c1)C[N@H+](Cc1ccoc1C)C2 ZINC000656275640 411225232 /nfs/dbraw/zinc/22/52/32/411225232.db2.gz RGXHLIBWFBVSJC-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO COc1ccc2c(c1)C[N@@H+](Cc1ccoc1C)C2 ZINC000656275640 411225228 /nfs/dbraw/zinc/22/52/28/411225228.db2.gz RGXHLIBWFBVSJC-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO Cn1cc[nH+]c1-c1ccc(OC2CCC2)cc1 ZINC000656369562 488082005 /nfs/dbraw/zinc/08/20/05/488082005.db2.gz AVVTUCZTGSWCJR-UHFFFAOYSA-N 1 2 228.295 3.018 20 0 BGADLO CCSc1cccc(-c2[nH+]ccn2C)c1 ZINC000656369590 488082014 /nfs/dbraw/zinc/08/20/14/488082014.db2.gz FTUASBYIGSGFSJ-UHFFFAOYSA-N 1 2 218.325 3.199 20 0 BGADLO Cn1cc[nH+]c1-c1cccc(CC(F)(F)F)c1 ZINC000656369612 488081470 /nfs/dbraw/zinc/08/14/70/488081470.db2.gz JSZYCJYPYLYFEC-UHFFFAOYSA-N 1 2 240.228 3.192 20 0 BGADLO Cn1cc[nH+]c1-c1ccc(CC(F)(F)F)cc1 ZINC000656369660 411236985 /nfs/dbraw/zinc/23/69/85/411236985.db2.gz QRPJYWZZYPCAQM-UHFFFAOYSA-N 1 2 240.228 3.192 20 0 BGADLO CCCc1ccccc1-c1[nH+]ccn1C ZINC000656369675 411236875 /nfs/dbraw/zinc/23/68/75/411236875.db2.gz UNSSPNKZHQODCP-UHFFFAOYSA-N 1 2 200.285 3.040 20 0 BGADLO Cc1cc(-c2[nH+]ccn2C)ccc1C(F)(F)F ZINC000656369696 411236308 /nfs/dbraw/zinc/23/63/08/411236308.db2.gz YDRTVIYMMZHJJQ-UHFFFAOYSA-N 1 2 240.228 3.414 20 0 BGADLO Cn1cc[nH+]c1-c1cccc(N2CCCCC2)c1 ZINC000656369697 411236929 /nfs/dbraw/zinc/23/69/29/411236929.db2.gz YHUCFRYAOBKIHM-UHFFFAOYSA-N 1 2 241.338 3.077 20 0 BGADLO Cn1cc[nH+]c1-c1cccc(OC2CCCC2)c1 ZINC000656371319 411236643 /nfs/dbraw/zinc/23/66/43/411236643.db2.gz CNUIZNZFHJVUIS-UHFFFAOYSA-N 1 2 242.322 3.409 20 0 BGADLO CCc1ccc(CC)c(-c2[nH+]ccn2C)c1 ZINC000656371325 411236725 /nfs/dbraw/zinc/23/67/25/411236725.db2.gz CTLHZTVVKKLZCC-UHFFFAOYSA-N 1 2 214.312 3.212 20 0 BGADLO COc1ccc(C(C)(C)C)cc1-c1[nH+]ccn1C ZINC000656371327 411237063 /nfs/dbraw/zinc/23/70/63/411237063.db2.gz DAADISQMVXAFRZ-UHFFFAOYSA-N 1 2 244.338 3.393 20 0 BGADLO Cc1cc(C)c(-c2[nH+]ccn2C)cc1C ZINC000656371343 411235906 /nfs/dbraw/zinc/23/59/06/411235906.db2.gz DVAREMKVRYHFIR-UHFFFAOYSA-N 1 2 200.285 3.012 20 0 BGADLO Cn1cc[nH+]c1-c1ccc2c(c1)C=CC(C)(C)O2 ZINC000656371545 411236386 /nfs/dbraw/zinc/23/63/86/411236386.db2.gz HNSPXBWKGOTOPW-UHFFFAOYSA-N 1 2 240.306 3.271 20 0 BGADLO Cn1cc[nH+]c1-c1ccc(OC2CCCC2)cc1 ZINC000656371592 411237018 /nfs/dbraw/zinc/23/70/18/411237018.db2.gz JIAORXRWLRQIRH-UHFFFAOYSA-N 1 2 242.322 3.409 20 0 BGADLO CC(C)OCc1ccc(-c2[nH+]ccn2C)cc1 ZINC000656371600 411236452 /nfs/dbraw/zinc/23/64/52/411236452.db2.gz JVMXEFZHOZGVBL-UHFFFAOYSA-N 1 2 230.311 3.012 20 0 BGADLO Cc1cc(C(F)(F)F)ccc1-c1[nH+]ccn1C ZINC000656371601 411236624 /nfs/dbraw/zinc/23/66/24/411236624.db2.gz JXCLTLQWFHGGJY-UHFFFAOYSA-N 1 2 240.228 3.414 20 0 BGADLO CC(C)CC(=O)c1cccc(-c2[nH+]ccn2C)c1 ZINC000656371630 411236955 /nfs/dbraw/zinc/23/69/55/411236955.db2.gz LHZTUFLLVQQPDM-UHFFFAOYSA-N 1 2 242.322 3.316 20 0 BGADLO CC(C)COCc1cccc(-c2[nH+]ccn2C)c1 ZINC000656371693 411238314 /nfs/dbraw/zinc/23/83/14/411238314.db2.gz PCWDVUUVYXIGQY-UHFFFAOYSA-N 1 2 244.338 3.260 20 0 BGADLO CCCc1ccc(-c2[nH+]ccn2C)cc1 ZINC000656371756 411238571 /nfs/dbraw/zinc/23/85/71/411238571.db2.gz RXBAVYGCKINJEA-UHFFFAOYSA-N 1 2 200.285 3.040 20 0 BGADLO CC(C)OCc1cccc(-c2[nH+]ccn2C)c1 ZINC000656371757 411237572 /nfs/dbraw/zinc/23/75/72/411237572.db2.gz RZZMEKOZKPQMNU-UHFFFAOYSA-N 1 2 230.311 3.012 20 0 BGADLO CCOc1cc(-c2[nH+]ccn2C)ccc1Cl ZINC000656371791 411238284 /nfs/dbraw/zinc/23/82/84/411238284.db2.gz UXRRJXUIKUOFKX-UHFFFAOYSA-N 1 2 236.702 3.139 20 0 BGADLO CCCCCOc1ccc(-c2[nH+]ccn2C)cn1 ZINC000656371824 411238380 /nfs/dbraw/zinc/23/83/80/411238380.db2.gz XGDSQHYYRBYOJM-UHFFFAOYSA-N 1 2 245.326 3.051 20 0 BGADLO CCCCOc1ccccc1-c1[nH+]ccn1C ZINC000656371825 411238301 /nfs/dbraw/zinc/23/83/01/411238301.db2.gz XHHVVHYJCCYQFJ-UHFFFAOYSA-N 1 2 230.311 3.266 20 0 BGADLO Cn1cc[nH+]c1-c1ccc(C(=O)C(C)(C)C)cc1 ZINC000656371872 411238602 /nfs/dbraw/zinc/23/86/02/411238602.db2.gz ZQFFOLLUYWTUKR-UHFFFAOYSA-N 1 2 242.322 3.316 20 0 BGADLO CCO[C@@H]1CCc2[nH+]c3ccccc3c(C)c2C1 ZINC000656475853 411283230 /nfs/dbraw/zinc/28/32/30/411283230.db2.gz VAOJLNBENXFZKR-GFCCVEGCSA-N 1 2 241.334 3.437 20 0 BGADLO CCO[C@H]1CCc2[nH+]c3ccccc3c(C)c2C1 ZINC000656475854 411283273 /nfs/dbraw/zinc/28/32/73/411283273.db2.gz VAOJLNBENXFZKR-LBPRGKRZSA-N 1 2 241.334 3.437 20 0 BGADLO COCC[C@@H](C)[NH2+]c1cc(C)c(C)cc1OC ZINC000656488321 411284230 /nfs/dbraw/zinc/28/42/30/411284230.db2.gz OHOHKXUDQYRVRK-GFCCVEGCSA-N 1 2 237.343 3.149 20 0 BGADLO COCC[C@H](C)[NH2+]c1cc(C)c(C)cc1OC ZINC000656488322 411283645 /nfs/dbraw/zinc/28/36/45/411283645.db2.gz OHOHKXUDQYRVRK-LBPRGKRZSA-N 1 2 237.343 3.149 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]CCC1(O)CCC1 ZINC000656642314 411314872 /nfs/dbraw/zinc/31/48/72/411314872.db2.gz NXIYZEVDYRSWFI-UHFFFAOYSA-N 1 2 249.354 3.111 20 0 BGADLO COc1cc(C)ccc1[NH2+]CC[C@H]1CCCCO1 ZINC000656643210 411315161 /nfs/dbraw/zinc/31/51/61/411315161.db2.gz YSJFASXWXJUZKZ-CYBMUJFWSA-N 1 2 249.354 3.375 20 0 BGADLO COc1cc(C)ccc1[NH2+]CC[C@@H]1CCCCO1 ZINC000656643211 411314979 /nfs/dbraw/zinc/31/49/79/411314979.db2.gz YSJFASXWXJUZKZ-ZDUSSCGKSA-N 1 2 249.354 3.375 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]CCC1(O)CCC1 ZINC000656659490 411318427 /nfs/dbraw/zinc/31/84/27/411318427.db2.gz CBGAFMRJDMOMBV-UHFFFAOYSA-N 1 2 249.354 3.029 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]C[C@H]1CCCOC1 ZINC000656659722 411318554 /nfs/dbraw/zinc/31/85/54/411318554.db2.gz INKLNOFVQSKDPX-CYBMUJFWSA-N 1 2 249.354 3.151 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]C[C@@H]1CCCOC1 ZINC000656659723 411318765 /nfs/dbraw/zinc/31/87/65/411318765.db2.gz INKLNOFVQSKDPX-ZDUSSCGKSA-N 1 2 249.354 3.151 20 0 BGADLO COCCCC[NH2+]c1cc(C)c(C)cc1OC ZINC000656659780 411318690 /nfs/dbraw/zinc/31/86/90/411318690.db2.gz KXVJOVKLGRDDME-UHFFFAOYSA-N 1 2 237.343 3.151 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]CCCCF ZINC000656659787 411318921 /nfs/dbraw/zinc/31/89/21/411318921.db2.gz LHSDJNCJMCJXCI-UHFFFAOYSA-N 1 2 225.307 3.474 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]CC[C@H]1CCCO1 ZINC000656659810 411318753 /nfs/dbraw/zinc/31/87/53/411318753.db2.gz MTUJJQHRTBTYRQ-CYBMUJFWSA-N 1 2 249.354 3.293 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]CC[C@@H]1CCCO1 ZINC000656659811 411318388 /nfs/dbraw/zinc/31/83/88/411318388.db2.gz MTUJJQHRTBTYRQ-ZDUSSCGKSA-N 1 2 249.354 3.293 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]CC[C@@H]1CCOC1 ZINC000656659827 411318399 /nfs/dbraw/zinc/31/83/99/411318399.db2.gz NIZSKLQGYOUXOP-CYBMUJFWSA-N 1 2 249.354 3.151 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]CC[C@H]1CCOC1 ZINC000656659828 411318722 /nfs/dbraw/zinc/31/87/22/411318722.db2.gz NIZSKLQGYOUXOP-ZDUSSCGKSA-N 1 2 249.354 3.151 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]CC1CC1 ZINC000656659957 411318839 /nfs/dbraw/zinc/31/88/39/411318839.db2.gz PTGVQZHFEKICEF-UHFFFAOYSA-N 1 2 205.301 3.134 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]CC1CCOCC1 ZINC000656660250 411318915 /nfs/dbraw/zinc/31/89/15/411318915.db2.gz URLPIMAXRGOXQI-UHFFFAOYSA-N 1 2 249.354 3.151 20 0 BGADLO Cc1ccc(C[NH+]2CC(C(F)F)C2)cc1Cl ZINC000656689880 411330853 /nfs/dbraw/zinc/33/08/53/411330853.db2.gz CHYZXAJRDIHDKE-UHFFFAOYSA-N 1 2 245.700 3.345 20 0 BGADLO CSc1ccc(C[NH+]2CC(C(F)F)C2)s1 ZINC000656689927 411330059 /nfs/dbraw/zinc/33/00/59/411330059.db2.gz DKIMIHBJBTWESK-UHFFFAOYSA-N 1 2 249.351 3.167 20 0 BGADLO FC(F)C1C[NH+](Cc2cscc2Cl)C1 ZINC000656690338 411329786 /nfs/dbraw/zinc/32/97/86/411329786.db2.gz KNCDGTKVSXRPBW-UHFFFAOYSA-N 1 2 237.702 3.098 20 0 BGADLO FC(F)C1C[NH+](Cc2ccsc2Cl)C1 ZINC000656690685 411330363 /nfs/dbraw/zinc/33/03/63/411330363.db2.gz NWXGZENBKSPXMJ-UHFFFAOYSA-N 1 2 237.702 3.098 20 0 BGADLO Cc1cc(C[NH+]2CC(C(F)F)C2)ccc1Cl ZINC000656691023 411330592 /nfs/dbraw/zinc/33/05/92/411330592.db2.gz UMPQBQWOQXJTRD-UHFFFAOYSA-N 1 2 245.700 3.345 20 0 BGADLO Fc1cc(Cl)cc(C[NH+]2CC(C(F)F)C2)c1 ZINC000656691027 411330178 /nfs/dbraw/zinc/33/01/78/411330178.db2.gz UQPKNRJIOAGLHL-UHFFFAOYSA-N 1 2 249.663 3.176 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[NH+]2CC(C(F)F)C2)o1 ZINC000656691406 411330756 /nfs/dbraw/zinc/33/07/56/411330756.db2.gz WQHPEIPXUZANNS-GZMMTYOYSA-N 1 2 241.281 3.100 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CC(C(F)F)C2)o1 ZINC000656691408 411329987 /nfs/dbraw/zinc/32/99/87/411329987.db2.gz WQHPEIPXUZANNS-KCJUWKMLSA-N 1 2 241.281 3.100 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CC(C(F)F)C2)o1 ZINC000656691409 411330082 /nfs/dbraw/zinc/33/00/82/411330082.db2.gz WQHPEIPXUZANNS-KWQFWETISA-N 1 2 241.281 3.100 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CC(C(F)F)C2)o1 ZINC000656691410 411330447 /nfs/dbraw/zinc/33/04/47/411330447.db2.gz WQHPEIPXUZANNS-LDYMZIIASA-N 1 2 241.281 3.100 20 0 BGADLO Cc1cc(Cl)cc(C[NH+]2CC(C(F)F)C2)c1 ZINC000656691914 411331547 /nfs/dbraw/zinc/33/15/47/411331547.db2.gz OATNEPCJZOCECZ-UHFFFAOYSA-N 1 2 245.700 3.345 20 0 BGADLO FC1CC2(C1)C[NH+](Cc1ccc(Cl)s1)C2 ZINC000656694521 411332563 /nfs/dbraw/zinc/33/25/63/411332563.db2.gz TUZBEHUOASHITH-UHFFFAOYSA-N 1 2 245.750 3.335 20 0 BGADLO FC1CC2(C1)C[NH+](Cc1cscc1Cl)C2 ZINC000656695582 411332938 /nfs/dbraw/zinc/33/29/38/411332938.db2.gz NKRNALSQWNWKGB-UHFFFAOYSA-N 1 2 245.750 3.335 20 0 BGADLO FC1CC2(C1)C[NH+](Cc1ccsc1Cl)C2 ZINC000656695929 411333070 /nfs/dbraw/zinc/33/30/70/411333070.db2.gz XYUFMHIQMSVUKT-UHFFFAOYSA-N 1 2 245.750 3.335 20 0 BGADLO Cc1cc[nH+]cc1Cc1nc(C2CCCC2)no1 ZINC000656744337 411341915 /nfs/dbraw/zinc/34/19/15/411341915.db2.gz XLHYTXLRMHYGLL-UHFFFAOYSA-N 1 2 243.310 3.021 20 0 BGADLO CCOc1ccc(CNc2cccc[nH+]2)c(C)c1 ZINC000656767043 411361747 /nfs/dbraw/zinc/36/17/47/411361747.db2.gz FWVNZECCGIZUIK-UHFFFAOYSA-N 1 2 242.322 3.401 20 0 BGADLO COCc1csc(CNc2ccc[nH+]c2C)c1 ZINC000656767710 411363546 /nfs/dbraw/zinc/36/35/46/411363546.db2.gz AJVHORLQOACAAV-UHFFFAOYSA-N 1 2 248.351 3.210 20 0 BGADLO COCc1csc(CNc2ccc(C)[nH+]c2)c1 ZINC000656770370 411362864 /nfs/dbraw/zinc/36/28/64/411362864.db2.gz XLEQSWWMHSCMEV-UHFFFAOYSA-N 1 2 248.351 3.210 20 0 BGADLO COCc1csc(CNc2c[nH+]ccc2C)c1 ZINC000656770976 411362832 /nfs/dbraw/zinc/36/28/32/411362832.db2.gz ADGGAPNKJWFVNE-UHFFFAOYSA-N 1 2 248.351 3.210 20 0 BGADLO COCc1csc(CNc2c[nH+]cc(C)c2)c1 ZINC000656771174 411364474 /nfs/dbraw/zinc/36/44/74/411364474.db2.gz AFQDAMDUMIMCGN-UHFFFAOYSA-N 1 2 248.351 3.210 20 0 BGADLO Cc1ccc(NCc2nccn2C(C)C)c(C)[nH+]1 ZINC000656771463 411364699 /nfs/dbraw/zinc/36/46/99/411364699.db2.gz UWFOLGWXEURBOW-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO CC(C)c1cc(NCc2[nH+]ccn2C(C)C)no1 ZINC000656773456 411355100 /nfs/dbraw/zinc/35/51/00/411355100.db2.gz YWCJVGQYAFQPKY-UHFFFAOYSA-N 1 2 248.330 3.188 20 0 BGADLO c1ncc(CNc2c[nH+]cc3c2CCCC3)s1 ZINC000656775857 411355882 /nfs/dbraw/zinc/35/58/82/411355882.db2.gz CYWOTCMPCITYDI-UHFFFAOYSA-N 1 2 245.351 3.029 20 0 BGADLO Cc1ccoc1CNc1c[nH+]cc2c1CCCC2 ZINC000656775889 411356272 /nfs/dbraw/zinc/35/62/72/411356272.db2.gz GDPZTDDHTBVAJF-UHFFFAOYSA-N 1 2 242.322 3.474 20 0 BGADLO CCc1ccncc1NCc1[nH+]ccn1C(C)C ZINC000656775926 411356616 /nfs/dbraw/zinc/35/66/16/411356616.db2.gz CKIFREDHKHSARL-UHFFFAOYSA-N 1 2 244.342 3.034 20 0 BGADLO COCC(C)(C)CNc1c[nH+]cc2c1CCCC2 ZINC000656776107 411356685 /nfs/dbraw/zinc/35/66/85/411356685.db2.gz GPSSVVVDEHKGQE-UHFFFAOYSA-N 1 2 248.370 3.045 20 0 BGADLO c1coc(CNc2c[nH+]cc3c2CCCC3)c1 ZINC000656776125 411355913 /nfs/dbraw/zinc/35/59/13/411355913.db2.gz HOXJFOSTKIJOAU-UHFFFAOYSA-N 1 2 228.295 3.166 20 0 BGADLO c1csc(CNc2c[nH+]cc3c2CCCC3)n1 ZINC000656776174 411356922 /nfs/dbraw/zinc/35/69/22/411356922.db2.gz KJQUHYREIWUUIB-UHFFFAOYSA-N 1 2 245.351 3.029 20 0 BGADLO Cc1c[nH+]c(C)c(NCc2nccn2C(C)C)c1 ZINC000656776221 411356660 /nfs/dbraw/zinc/35/66/60/411356660.db2.gz JNHRLUYUCPAQFV-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO c1nc(CNc2c[nH+]cc3c2CCCC3)cs1 ZINC000656776430 411356909 /nfs/dbraw/zinc/35/69/09/411356909.db2.gz MRYANYJQVSUORU-UHFFFAOYSA-N 1 2 245.351 3.029 20 0 BGADLO Cc1ccc(CNc2c[nH+]cc3c2CCCC3)o1 ZINC000656776772 411356361 /nfs/dbraw/zinc/35/63/61/411356361.db2.gz RSQOBHWTVNHYSD-UHFFFAOYSA-N 1 2 242.322 3.474 20 0 BGADLO Cc1occc1CNc1c[nH+]cc2c1CCCC2 ZINC000656776850 411356584 /nfs/dbraw/zinc/35/65/84/411356584.db2.gz UMSQINCLPATXNW-UHFFFAOYSA-N 1 2 242.322 3.474 20 0 BGADLO C[C@H](c1ccncc1)[N@H+]1Cc2cccc(F)c2C1 ZINC000657193444 411416986 /nfs/dbraw/zinc/41/69/86/411416986.db2.gz BSXSWWMTJIYJMA-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H](c1ccncc1)[N@@H+]1Cc2cccc(F)c2C1 ZINC000657193444 411416983 /nfs/dbraw/zinc/41/69/83/411416983.db2.gz BSXSWWMTJIYJMA-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1ccncc1)[N@H+]1Cc2cccc(F)c2C1 ZINC000657193445 411416688 /nfs/dbraw/zinc/41/66/88/411416688.db2.gz BSXSWWMTJIYJMA-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1ccncc1)[N@@H+]1Cc2cccc(F)c2C1 ZINC000657193445 411416683 /nfs/dbraw/zinc/41/66/83/411416683.db2.gz BSXSWWMTJIYJMA-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO CC(=O)[C@@H](C)CCSc1[nH+]cc2ccccn21 ZINC000657234200 411423730 /nfs/dbraw/zinc/42/37/30/411423730.db2.gz MHMZUPXNYRCZEA-JTQLQIEISA-N 1 2 248.351 3.042 20 0 BGADLO CC(=O)[C@H](C)CCSc1[nH+]cc2ccccn21 ZINC000657234201 411423854 /nfs/dbraw/zinc/42/38/54/411423854.db2.gz MHMZUPXNYRCZEA-SNVBAGLBSA-N 1 2 248.351 3.042 20 0 BGADLO Cc1cc(N)nc(SCCCC2CCC2)[nH+]1 ZINC000657237788 411423831 /nfs/dbraw/zinc/42/38/31/411423831.db2.gz WYYJAPNCPZSDQX-UHFFFAOYSA-N 1 2 237.372 3.040 20 0 BGADLO Fc1cc2[nH+]cn(CC3CC=CC3)c2cc1F ZINC000657241983 411429251 /nfs/dbraw/zinc/42/92/51/411429251.db2.gz HSGDHOUXVJZIBB-UHFFFAOYSA-N 1 2 234.249 3.281 20 0 BGADLO c1cn(C[C@@H]2CC[C@@H](c3ccccc3)C2)c[nH+]1 ZINC000657254865 411435577 /nfs/dbraw/zinc/43/55/77/411435577.db2.gz DIZSMJGZROFAOC-UKRRQHHQSA-N 1 2 226.323 3.467 20 0 BGADLO c1c[nH+]c(COCC[C@H]2CCc3ccccc32)[nH]1 ZINC000657255870 411429663 /nfs/dbraw/zinc/42/96/63/411429663.db2.gz RRBNBJPLPKOJLN-CYBMUJFWSA-N 1 2 242.322 3.046 20 0 BGADLO c1c[nH+]c(COCC[C@@H]2CCc3ccccc32)[nH]1 ZINC000657255876 411429708 /nfs/dbraw/zinc/42/97/08/411429708.db2.gz RRBNBJPLPKOJLN-ZDUSSCGKSA-N 1 2 242.322 3.046 20 0 BGADLO c1cn(CC[C@H]2CCc3ccccc32)c[nH+]1 ZINC000657255881 411430532 /nfs/dbraw/zinc/43/05/32/411430532.db2.gz RWCWDASZMUABBM-CYBMUJFWSA-N 1 2 212.296 3.003 20 0 BGADLO c1cn(CC[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000657255883 411430391 /nfs/dbraw/zinc/43/03/91/411430391.db2.gz RWCWDASZMUABBM-ZDUSSCGKSA-N 1 2 212.296 3.003 20 0 BGADLO CC(C)(C)c1cccc(COCc2[nH]cc[nH+]2)c1 ZINC000657256242 411430024 /nfs/dbraw/zinc/43/00/24/411430024.db2.gz XMBHKFMAOMGBIM-UHFFFAOYSA-N 1 2 244.338 3.424 20 0 BGADLO CCc1cc(N)nc(SCCC=C(C)C)[nH+]1 ZINC000657259166 411431915 /nfs/dbraw/zinc/43/19/15/411431915.db2.gz KOKXRQPUYORIPA-UHFFFAOYSA-N 1 2 237.372 3.070 20 0 BGADLO Cc1cnc(SCCCn2cc[nH+]c2)c(C)c1 ZINC000657280509 411441371 /nfs/dbraw/zinc/44/13/71/411441371.db2.gz MSTXUXOXHAYFJK-UHFFFAOYSA-N 1 2 247.367 3.077 20 0 BGADLO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccccc2Cl)n1 ZINC000657286751 411445719 /nfs/dbraw/zinc/44/57/19/411445719.db2.gz CAIKFYKBAFWQJJ-JTQLQIEISA-N 1 2 249.745 3.222 20 0 BGADLO Cc1c[nH]c(C[NH2+][C@H](C)c2ccccc2Cl)n1 ZINC000657286753 411446152 /nfs/dbraw/zinc/44/61/52/411446152.db2.gz CAIKFYKBAFWQJJ-SNVBAGLBSA-N 1 2 249.745 3.222 20 0 BGADLO CCCc1ccccc1NCc1[nH]cc(C)[nH+]1 ZINC000657318059 411462926 /nfs/dbraw/zinc/46/29/26/411462926.db2.gz JPWCWTQFQZCEKG-UHFFFAOYSA-N 1 2 229.327 3.283 20 0 BGADLO Cc1c[nH]c(CNc2cc(Cl)ccc2C)[nH+]1 ZINC000657318073 411462760 /nfs/dbraw/zinc/46/27/60/411462760.db2.gz JZGPOPPLZBGKMV-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO CSc1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657319283 411460325 /nfs/dbraw/zinc/46/03/25/411460325.db2.gz BJXXDHPBPIAMMM-UHFFFAOYSA-N 1 2 233.340 3.052 20 0 BGADLO Cc1c[nH]c(CNc2ccc(C(C)C)cc2)[nH+]1 ZINC000657319723 411460734 /nfs/dbraw/zinc/46/07/34/411460734.db2.gz LFBHAPXCZKHGNG-UHFFFAOYSA-N 1 2 229.327 3.454 20 0 BGADLO COc1cccc(NCc2[nH+]ccn2C(C)C)c1 ZINC000657319923 411461683 /nfs/dbraw/zinc/46/16/83/411461683.db2.gz PRXOMOUVHJQZFR-UHFFFAOYSA-N 1 2 245.326 3.085 20 0 BGADLO Cc1c[nH]c(CNc2ccc(C)c(Cl)c2)[nH+]1 ZINC000657320156 411461288 /nfs/dbraw/zinc/46/12/88/411461288.db2.gz VDHKXLIDEQYNGL-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO Cc1c[nH]c(CNc2cccc(C(C)C)c2)[nH+]1 ZINC000657321051 411461296 /nfs/dbraw/zinc/46/12/96/411461296.db2.gz NJNKUOOBGMYXHY-UHFFFAOYSA-N 1 2 229.327 3.454 20 0 BGADLO Cc1c[nH]c(CNc2cccc3c2CCCC3)[nH+]1 ZINC000657321096 411461921 /nfs/dbraw/zinc/46/19/21/411461921.db2.gz PMCJVXAXLUYXBC-UHFFFAOYSA-N 1 2 241.338 3.209 20 0 BGADLO CSc1ccc(NCc2[nH]cc(C)[nH+]2)cc1 ZINC000657321299 411461196 /nfs/dbraw/zinc/46/11/96/411461196.db2.gz VBEVOBCLQFCCRT-UHFFFAOYSA-N 1 2 233.340 3.052 20 0 BGADLO CCCOc1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657321925 411461749 /nfs/dbraw/zinc/46/17/49/411461749.db2.gz LXCZPOJMOZXWMM-UHFFFAOYSA-N 1 2 245.326 3.119 20 0 BGADLO Cc1[nH]c(CNc2cccc(F)c2C)[nH+]c1C ZINC000657403720 411497497 /nfs/dbraw/zinc/49/74/97/411497497.db2.gz HHQPXVWTHTXEDM-UHFFFAOYSA-N 1 2 233.290 3.086 20 0 BGADLO Cc1c[nH]c(CNc2ccccc2C(C)C)[nH+]1 ZINC000657404311 411497801 /nfs/dbraw/zinc/49/78/01/411497801.db2.gz FMMTUAKRUGMHPY-UHFFFAOYSA-N 1 2 229.327 3.454 20 0 BGADLO Cc1c[nH]c(CNc2cccc(Cl)c2C)[nH+]1 ZINC000657404901 411497481 /nfs/dbraw/zinc/49/74/81/411497481.db2.gz PSSKFAMLTZHOJJ-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO CSc1ccccc1NCc1[nH]cc(C)[nH+]1 ZINC000657405012 411497427 /nfs/dbraw/zinc/49/74/27/411497427.db2.gz WIXOMBHSIKZLOM-UHFFFAOYSA-N 1 2 233.340 3.052 20 0 BGADLO Cc1c[nH]c(CNc2cccc(C(F)F)c2)[nH+]1 ZINC000657408786 411497272 /nfs/dbraw/zinc/49/72/72/411497272.db2.gz DUWVKFJUEJCIDN-UHFFFAOYSA-N 1 2 237.253 3.268 20 0 BGADLO CO[C@H](C)c1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657409420 411497845 /nfs/dbraw/zinc/49/78/45/411497845.db2.gz LYMRBHVQCHGMID-LLVKDONJSA-N 1 2 245.326 3.038 20 0 BGADLO CO[C@@H](C)c1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657409421 411497787 /nfs/dbraw/zinc/49/77/87/411497787.db2.gz LYMRBHVQCHGMID-NSHDSACASA-N 1 2 245.326 3.038 20 0 BGADLO CCOc1cc(NCc2[nH]cc(C)[nH+]2)ccc1C ZINC000657409958 411497858 /nfs/dbraw/zinc/49/78/58/411497858.db2.gz YWIKKVNXYKCADV-UHFFFAOYSA-N 1 2 245.326 3.037 20 0 BGADLO CCSc1cccc(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657410179 411497227 /nfs/dbraw/zinc/49/72/27/411497227.db2.gz QZLJXFBUMZMEBT-UHFFFAOYSA-N 1 2 247.367 3.442 20 0 BGADLO CCc1ccc(CC)c(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657410856 411499137 /nfs/dbraw/zinc/49/91/37/411499137.db2.gz IGSNRXQZMCKHQK-UHFFFAOYSA-N 1 2 243.354 3.455 20 0 BGADLO CCc1ccc(NCc2[nH]cc(C)[nH+]2)cc1F ZINC000657416539 411499889 /nfs/dbraw/zinc/49/98/89/411499889.db2.gz UMIJBPQWKBULHQ-UHFFFAOYSA-N 1 2 233.290 3.032 20 0 BGADLO Cc1[nH]c(CNc2ccc(F)c(C)c2)[nH+]c1C ZINC000657419224 411501808 /nfs/dbraw/zinc/50/18/08/411501808.db2.gz JWQRODOPAKHKKL-UHFFFAOYSA-N 1 2 233.290 3.086 20 0 BGADLO Cc1c[nH]c(CNc2ccc(Cl)cc2C)[nH+]1 ZINC000657420776 411501793 /nfs/dbraw/zinc/50/17/93/411501793.db2.gz WAEKUEFGGUARMT-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO Cc1c[nH]c(CNc2cc(C)ccc2Cl)[nH+]1 ZINC000657422831 411502831 /nfs/dbraw/zinc/50/28/31/411502831.db2.gz ATYNURBWEFHYSY-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO Cc1c[nH]c(CNc2ccc(C)cc2Cl)[nH+]1 ZINC000657422895 411502582 /nfs/dbraw/zinc/50/25/82/411502582.db2.gz CZVZQHRUBWVWAK-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO CCc1ccc(NCc2[nH]cc(C)[nH+]2)cc1C ZINC000657424276 411504810 /nfs/dbraw/zinc/50/48/10/411504810.db2.gz TZHILPGKNUGYDN-UHFFFAOYSA-N 1 2 229.327 3.201 20 0 BGADLO Cc1c[nH]c(CNc2ccc(C3CC3)cc2)[nH+]1 ZINC000657425861 411504639 /nfs/dbraw/zinc/50/46/39/411504639.db2.gz VKGXRBAFCWJROA-UHFFFAOYSA-N 1 2 227.311 3.208 20 0 BGADLO Cc1c[nH]c(CNc2c(C)cc(C)cc2C)[nH+]1 ZINC000657426921 411503649 /nfs/dbraw/zinc/50/36/49/411503649.db2.gz LQCGYAXJNODIRE-UHFFFAOYSA-N 1 2 229.327 3.255 20 0 BGADLO CCc1ccc(NCc2[nH]cc(C)[nH+]2)cc1CC ZINC000657426940 411503933 /nfs/dbraw/zinc/50/39/33/411503933.db2.gz MCIVSOIOKPKXAC-UHFFFAOYSA-N 1 2 243.354 3.455 20 0 BGADLO CSc1cccc(NCc2[nH]cc(C)[nH+]2)c1C ZINC000657427595 411503888 /nfs/dbraw/zinc/50/38/88/411503888.db2.gz UWXVJPOKVLBFDM-UHFFFAOYSA-N 1 2 247.367 3.361 20 0 BGADLO CCc1cc(NCc2[nH]cc(C)[nH+]2)ccc1C ZINC000657428187 411504127 /nfs/dbraw/zinc/50/41/27/411504127.db2.gz JBQHFWXBZSFXER-UHFFFAOYSA-N 1 2 229.327 3.201 20 0 BGADLO CSc1ccc(C)c(NCc2[nH]cc(C)[nH+]2)c1 ZINC000657428234 411503757 /nfs/dbraw/zinc/50/37/57/411503757.db2.gz ZWZIQOBRFBLWJO-UHFFFAOYSA-N 1 2 247.367 3.361 20 0 BGADLO COCc1csc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000657453367 411515368 /nfs/dbraw/zinc/51/53/68/411515368.db2.gz VJIRUADTWXILJC-UHFFFAOYSA-N 1 2 249.326 3.028 20 0 BGADLO CCc1cc(NCc2[nH]cc(C)[nH+]2)ccc1F ZINC000657460332 411516928 /nfs/dbraw/zinc/51/69/28/411516928.db2.gz FIWYWUUICRHTGO-UHFFFAOYSA-N 1 2 233.290 3.032 20 0 BGADLO CCc1cc(NCc2[nH]c(C)c(C)[nH+]2)ccc1F ZINC000657460631 411517575 /nfs/dbraw/zinc/51/75/75/411517575.db2.gz JQHVYFBKQXPHMG-UHFFFAOYSA-N 1 2 247.317 3.340 20 0 BGADLO CCCOc1ccc(C[NH2+]CC(F)F)c(C)c1 ZINC000657463995 411518291 /nfs/dbraw/zinc/51/82/91/411518291.db2.gz INYOQEUEVXXRAN-UHFFFAOYSA-N 1 2 243.297 3.139 20 0 BGADLO CCc1cccc2cc(C[NH2+]CC(F)F)oc21 ZINC000657464979 411518701 /nfs/dbraw/zinc/51/87/01/411518701.db2.gz UQGPMYMBGWNSRI-UHFFFAOYSA-N 1 2 239.265 3.350 20 0 BGADLO CCOc1ccc(C[NH2+]CC(C)(F)F)c(C)c1 ZINC000657474871 411524424 /nfs/dbraw/zinc/52/44/24/411524424.db2.gz GMFSLEQABBNRGN-UHFFFAOYSA-N 1 2 243.297 3.139 20 0 BGADLO Cc1ccc2cc(C[NH2+]CC(C)(F)F)[nH]c2c1 ZINC000657475197 411525236 /nfs/dbraw/zinc/52/52/36/411525236.db2.gz LJKGXQCBWKCERP-UHFFFAOYSA-N 1 2 238.281 3.221 20 0 BGADLO Cc1cccc2[nH]c(C[NH2+]CC(C)(F)F)cc21 ZINC000657475366 411525339 /nfs/dbraw/zinc/52/53/39/411525339.db2.gz QHSQCJAMXCVNOZ-UHFFFAOYSA-N 1 2 238.281 3.221 20 0 BGADLO CC(F)(F)C[NH2+]Cc1cc2ccncc2s1 ZINC000657475485 411524926 /nfs/dbraw/zinc/52/49/26/411524926.db2.gz UURIIYTVMWAXKW-UHFFFAOYSA-N 1 2 242.294 3.041 20 0 BGADLO CC[C@H]([NH2+]Cc1cc(COC)cs1)C(F)F ZINC000657476502 411524959 /nfs/dbraw/zinc/52/49/59/411524959.db2.gz IPAUNOFHFFOYLW-JTQLQIEISA-N 1 2 249.326 3.028 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc(COC)cs1)C(F)F ZINC000657476503 411524804 /nfs/dbraw/zinc/52/48/04/411524804.db2.gz IPAUNOFHFFOYLW-SNVBAGLBSA-N 1 2 249.326 3.028 20 0 BGADLO Cc1c[nH]c(CNc2ccc3c(c2)CCCC3)[nH+]1 ZINC000657479042 411528148 /nfs/dbraw/zinc/52/81/48/411528148.db2.gz QAOQKBYXEQTKDF-UHFFFAOYSA-N 1 2 241.338 3.209 20 0 BGADLO Cc1c[nH]c(CNc2cccc(OC(C)C)c2)[nH+]1 ZINC000657480067 411527712 /nfs/dbraw/zinc/52/77/12/411527712.db2.gz QEIXQSMMQIEFJQ-UHFFFAOYSA-N 1 2 245.326 3.117 20 0 BGADLO CSc1cc(C)ccc1NCc1[nH]cc(C)[nH+]1 ZINC000657490398 411533248 /nfs/dbraw/zinc/53/32/48/411533248.db2.gz IXGHPHJGSLHTLC-UHFFFAOYSA-N 1 2 247.367 3.361 20 0 BGADLO CC[C@H]([NH2+]Cc1nc(C)c[nH]1)c1ccccc1F ZINC000657501171 411538434 /nfs/dbraw/zinc/53/84/34/411538434.db2.gz RPVFWIPETCEDKC-ZDUSSCGKSA-N 1 2 247.317 3.098 20 0 BGADLO CSc1cc(NCc2[nH]cc(C)[nH+]2)ccc1C ZINC000657503102 411539087 /nfs/dbraw/zinc/53/90/87/411539087.db2.gz AJJOOKZHHWWCET-UHFFFAOYSA-N 1 2 247.367 3.361 20 0 BGADLO CC[C@@H]([NH2+]Cc1nc(C)c[nH]1)c1ccccc1F ZINC000657505585 411539945 /nfs/dbraw/zinc/53/99/45/411539945.db2.gz RPVFWIPETCEDKC-CYBMUJFWSA-N 1 2 247.317 3.098 20 0 BGADLO Cc1c[nH]c(CNc2ccc(Cl)c(C)c2)[nH+]1 ZINC000657506344 411539955 /nfs/dbraw/zinc/53/99/55/411539955.db2.gz GPPPXXXCXCDGRK-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO CC(C)OC[C@@H](C)Nc1c[nH+]cc2c1CCCC2 ZINC000657533690 411545316 /nfs/dbraw/zinc/54/53/16/411545316.db2.gz OEKPPVKYGBVEIH-GFCCVEGCSA-N 1 2 248.370 3.186 20 0 BGADLO CC(C)OC[C@H](C)Nc1c[nH+]cc2c1CCCC2 ZINC000657533691 411545030 /nfs/dbraw/zinc/54/50/30/411545030.db2.gz OEKPPVKYGBVEIH-LBPRGKRZSA-N 1 2 248.370 3.186 20 0 BGADLO c1[nH+]cc(NC[C@H]2CCSC2)c2c1CCCC2 ZINC000657533704 411545258 /nfs/dbraw/zinc/54/52/58/411545258.db2.gz OXTRYUDGSLSZJA-LLVKDONJSA-N 1 2 248.395 3.125 20 0 BGADLO c1[nH+]cc(NC[C@@H]2CCSC2)c2c1CCCC2 ZINC000657533705 411545238 /nfs/dbraw/zinc/54/52/38/411545238.db2.gz OXTRYUDGSLSZJA-NSHDSACASA-N 1 2 248.395 3.125 20 0 BGADLO C[C@H](Nc1c[nH+]cc2c1CCCC2)C1CC1 ZINC000657534591 411544367 /nfs/dbraw/zinc/54/43/67/411544367.db2.gz WDFBTIGXRNJZFW-JTQLQIEISA-N 1 2 216.328 3.171 20 0 BGADLO C[C@@H](Nc1c[nH+]cc2c1CCCC2)C1CC1 ZINC000657534594 411544732 /nfs/dbraw/zinc/54/47/32/411544732.db2.gz WDFBTIGXRNJZFW-SNVBAGLBSA-N 1 2 216.328 3.171 20 0 BGADLO c1[nH+]cc(N[C@@H]2CCCSC2)c2c1CCCC2 ZINC000657534700 411544790 /nfs/dbraw/zinc/54/47/90/411544790.db2.gz YDRGVUDGBVOHLL-GFCCVEGCSA-N 1 2 248.395 3.268 20 0 BGADLO c1[nH+]cc(N[C@H]2CCCSC2)c2c1CCCC2 ZINC000657534703 411544556 /nfs/dbraw/zinc/54/45/56/411544556.db2.gz YDRGVUDGBVOHLL-LBPRGKRZSA-N 1 2 248.395 3.268 20 0 BGADLO CC(C)[C@H]([NH2+]Cc1cocn1)c1ccccc1F ZINC000657614496 411563741 /nfs/dbraw/zinc/56/37/41/411563741.db2.gz CZIKSCGRVCDPRZ-AWEZNQCLSA-N 1 2 248.301 3.301 20 0 BGADLO CC(C)[C@@H]([NH2+]Cc1cocn1)c1ccccc1F ZINC000657614497 411563664 /nfs/dbraw/zinc/56/36/64/411563664.db2.gz CZIKSCGRVCDPRZ-CQSZACIVSA-N 1 2 248.301 3.301 20 0 BGADLO c1c[nH+]c(CNc2ccc3c(c2)C=CCCC3)[nH]1 ZINC000657681420 411580863 /nfs/dbraw/zinc/58/08/63/411580863.db2.gz QVRDEHSWKQHALA-UHFFFAOYSA-N 1 2 239.322 3.371 20 0 BGADLO Cc1occc1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657791936 411598338 /nfs/dbraw/zinc/59/83/38/411598338.db2.gz CKGNZOZALSAUQH-UHFFFAOYSA-N 1 2 231.286 3.359 20 0 BGADLO Cc1ccncc1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657793574 411598865 /nfs/dbraw/zinc/59/88/65/411598865.db2.gz LPFIAJZQIJZDKR-UHFFFAOYSA-N 1 2 242.313 3.161 20 0 BGADLO CC(C)(C)C(F)(F)C[NH2+]Cc1cccc(O)c1 ZINC000657793584 411598566 /nfs/dbraw/zinc/59/85/66/411598566.db2.gz MALRSSBERKWYRE-UHFFFAOYSA-N 1 2 243.297 3.163 20 0 BGADLO Cc1ncsc1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657793613 411599133 /nfs/dbraw/zinc/59/91/33/411599133.db2.gz MWLKFYDQFMOKOK-UHFFFAOYSA-N 1 2 248.342 3.223 20 0 BGADLO Cc1ccc(C[NH2+]CC(F)(F)C(C)(C)C)nc1 ZINC000657793668 411599151 /nfs/dbraw/zinc/59/91/51/411599151.db2.gz OPCOPDLYZZKERT-UHFFFAOYSA-N 1 2 242.313 3.161 20 0 BGADLO Cc1ncccc1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657793925 411598858 /nfs/dbraw/zinc/59/88/58/411598858.db2.gz RIYSSNGFJFHBOR-UHFFFAOYSA-N 1 2 242.313 3.161 20 0 BGADLO Cc1cnccc1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657793927 411598813 /nfs/dbraw/zinc/59/88/13/411598813.db2.gz RJANLDHCJIHEQE-UHFFFAOYSA-N 1 2 242.313 3.161 20 0 BGADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccccc1 ZINC000657794108 411598731 /nfs/dbraw/zinc/59/87/31/411598731.db2.gz TXDPFKWJWFREJB-UHFFFAOYSA-N 1 2 227.298 3.458 20 0 BGADLO Cc1ccoc1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657794202 411599375 /nfs/dbraw/zinc/59/93/75/411599375.db2.gz UZZDWTNRXSZBLT-UHFFFAOYSA-N 1 2 231.286 3.359 20 0 BGADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccco1 ZINC000657794452 411599903 /nfs/dbraw/zinc/59/99/03/411599903.db2.gz WFCCSTQWVLUYTL-UHFFFAOYSA-N 1 2 217.259 3.051 20 0 BGADLO Cc1ccc(C[NH2+]CC(F)(F)C(C)(C)C)o1 ZINC000657794632 411599641 /nfs/dbraw/zinc/59/96/41/411599641.db2.gz YYBCLCFSWNHMQG-UHFFFAOYSA-N 1 2 231.286 3.359 20 0 BGADLO Cc1noc(C)c1C[NH2+]CC(F)(F)C(C)(C)C ZINC000657794676 411599665 /nfs/dbraw/zinc/59/96/65/411599665.db2.gz ZRWHWCOGZYZAFM-UHFFFAOYSA-N 1 2 246.301 3.062 20 0 BGADLO Cc1ccc(N[C@@H]2CCCSCC2)c[nH+]1 ZINC000657948912 411177691 /nfs/dbraw/zinc/17/76/91/411177691.db2.gz OIMYKEVUNPWAJL-LLVKDONJSA-N 1 2 222.357 3.088 20 0 BGADLO Cc1ccc(N[C@H]2CCCSCC2)c[nH+]1 ZINC000657948916 411177699 /nfs/dbraw/zinc/17/76/99/411177699.db2.gz OIMYKEVUNPWAJL-NSHDSACASA-N 1 2 222.357 3.088 20 0 BGADLO CCOC1CCC(Nc2ccc(C)[nH+]c2)CC1 ZINC000657949889 411178922 /nfs/dbraw/zinc/17/89/22/411178922.db2.gz WSSULMVMCXWYFZ-UHFFFAOYSA-N 1 2 234.343 3.150 20 0 BGADLO COc1ccc(N[C@H](C)C(C)(C)C(F)F)[nH+]c1 ZINC000657950462 411178633 /nfs/dbraw/zinc/17/86/33/411178633.db2.gz QBWPJQPXSNRCCZ-MRVPVSSYSA-N 1 2 244.285 3.182 20 0 BGADLO COc1ccc(N[C@@H](C)C(C)(C)C(F)F)[nH+]c1 ZINC000657950464 411178653 /nfs/dbraw/zinc/17/86/53/411178653.db2.gz QBWPJQPXSNRCCZ-QMMMGPOBSA-N 1 2 244.285 3.182 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CCCSCC1 ZINC000657951620 411179316 /nfs/dbraw/zinc/17/93/16/411179316.db2.gz CEYHGJVYIHNMHR-LLVKDONJSA-N 1 2 222.357 3.088 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CCCSCC1 ZINC000657951621 411179269 /nfs/dbraw/zinc/17/92/69/411179269.db2.gz CEYHGJVYIHNMHR-NSHDSACASA-N 1 2 222.357 3.088 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCCSCC2)c1 ZINC000657951653 411179258 /nfs/dbraw/zinc/17/92/58/411179258.db2.gz CSYSRADGNHPKJB-LLVKDONJSA-N 1 2 222.357 3.088 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCCSCC2)c1 ZINC000657951654 411179324 /nfs/dbraw/zinc/17/93/24/411179324.db2.gz CSYSRADGNHPKJB-NSHDSACASA-N 1 2 222.357 3.088 20 0 BGADLO CCOC1CCC(Nc2ccc(C)[nH+]c2C)CC1 ZINC000657951860 411179296 /nfs/dbraw/zinc/17/92/96/411179296.db2.gz FXMQYOMSBDPUKA-UHFFFAOYSA-N 1 2 248.370 3.458 20 0 BGADLO Cc1ccc(NC2CC(CF)(CF)C2)c(C)[nH+]1 ZINC000657952397 411180069 /nfs/dbraw/zinc/18/00/69/411180069.db2.gz KRUVBUNPQWNZJM-UHFFFAOYSA-N 1 2 240.297 3.198 20 0 BGADLO Cc1ccc(N[C@@H]2CCCSCC2)c(C)[nH+]1 ZINC000657952756 411179898 /nfs/dbraw/zinc/17/98/98/411179898.db2.gz MRKLFFRAQIBHJU-GFCCVEGCSA-N 1 2 236.384 3.396 20 0 BGADLO Cc1ccc(N[C@H]2CCCSCC2)c(C)[nH+]1 ZINC000657952757 411180075 /nfs/dbraw/zinc/18/00/75/411180075.db2.gz MRKLFFRAQIBHJU-LBPRGKRZSA-N 1 2 236.384 3.396 20 0 BGADLO CCOC1CCC(Nc2ccc[nH+]c2C)CC1 ZINC000657953957 411180176 /nfs/dbraw/zinc/18/01/76/411180176.db2.gz RWYYEVCEICHOSQ-UHFFFAOYSA-N 1 2 234.343 3.150 20 0 BGADLO CCOC1CCC(Nc2c[nH+]cc(C)c2)CC1 ZINC000657953959 411180000 /nfs/dbraw/zinc/18/00/00/411180000.db2.gz RYIPUARDJFWXFV-UHFFFAOYSA-N 1 2 234.343 3.150 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCCC23CC3)c1 ZINC000657954547 411179890 /nfs/dbraw/zinc/17/98/90/411179890.db2.gz VVNGVICWEHMLDC-GFCCVEGCSA-N 1 2 202.301 3.135 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCCC23CC3)c1 ZINC000657954548 411179810 /nfs/dbraw/zinc/17/98/10/411179810.db2.gz VVNGVICWEHMLDC-LBPRGKRZSA-N 1 2 202.301 3.135 20 0 BGADLO CC[C@H]([NH2+][C@@H]1CCCSCC1)C(F)(F)F ZINC000657985818 411191052 /nfs/dbraw/zinc/19/10/52/411191052.db2.gz AIQFWXHKYRGPAV-BDAKNGLRSA-N 1 2 241.322 3.203 20 0 BGADLO CC[C@H]([NH2+][C@H]1CCCSCC1)C(F)(F)F ZINC000657985819 411191109 /nfs/dbraw/zinc/19/11/09/411191109.db2.gz AIQFWXHKYRGPAV-IUCAKERBSA-N 1 2 241.322 3.203 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1cc2cnccc2o1 ZINC000658024507 411202965 /nfs/dbraw/zinc/20/29/65/411202965.db2.gz YGJOESWTKFMXHS-MRVPVSSYSA-N 1 2 240.253 3.134 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1cc2cnccc2o1 ZINC000658024515 411202979 /nfs/dbraw/zinc/20/29/79/411202979.db2.gz YGJOESWTKFMXHS-QMMMGPOBSA-N 1 2 240.253 3.134 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+][C@@H]1CCCOCC1 ZINC000658113049 411247242 /nfs/dbraw/zinc/24/72/42/411247242.db2.gz GUPZQAVGDCNFAC-CYBMUJFWSA-N 1 2 249.354 3.293 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+][C@H]1CCCOCC1 ZINC000658113050 411247455 /nfs/dbraw/zinc/24/74/55/411247455.db2.gz GUPZQAVGDCNFAC-ZDUSSCGKSA-N 1 2 249.354 3.293 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000658113336 411247378 /nfs/dbraw/zinc/24/73/78/411247378.db2.gz IGDNBPZUEQKZJE-CHWSQXEVSA-N 1 2 249.354 3.149 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+][C@H](C)[C@H]1CCOC1 ZINC000658113337 411247181 /nfs/dbraw/zinc/24/71/81/411247181.db2.gz IGDNBPZUEQKZJE-OLZOCXBDSA-N 1 2 249.354 3.149 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000658113338 411247958 /nfs/dbraw/zinc/24/79/58/411247958.db2.gz IGDNBPZUEQKZJE-QWHCGFSZSA-N 1 2 249.354 3.149 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000658113339 411247963 /nfs/dbraw/zinc/24/79/63/411247963.db2.gz IGDNBPZUEQKZJE-STQMWFEESA-N 1 2 249.354 3.149 20 0 BGADLO CC1CC([NH2+]CC(F)(F)c2cccc(F)c2)C1 ZINC000658117508 411250199 /nfs/dbraw/zinc/25/01/99/411250199.db2.gz VQEGHBMYHSLNFG-UHFFFAOYSA-N 1 2 243.272 3.306 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1cncs1)c1cscn1 ZINC000658152536 411267734 /nfs/dbraw/zinc/26/77/34/411267734.db2.gz SIPUPLQSFHJKQE-HTQZYQBOSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cncs1 ZINC000658152539 411267571 /nfs/dbraw/zinc/26/75/71/411267571.db2.gz SIPUPLQSFHJKQE-JGVFFNPUSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cscn1 ZINC000658152549 411267517 /nfs/dbraw/zinc/26/75/17/411267517.db2.gz SIPUPLQSFHJKQE-SFYZADRCSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1cncs1)c1cscn1 ZINC000658152550 411268288 /nfs/dbraw/zinc/26/82/88/411268288.db2.gz SIPUPLQSFHJKQE-YUMQZZPRSA-N 1 2 239.369 3.011 20 0 BGADLO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2cscn2)c1 ZINC000658153389 411268418 /nfs/dbraw/zinc/26/84/18/411268418.db2.gz ZGGMLUMMUSDEMU-GHMZBOCLSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2cscn2)c1 ZINC000658153390 411268228 /nfs/dbraw/zinc/26/82/28/411268228.db2.gz ZGGMLUMMUSDEMU-MNOVXSKESA-N 1 2 247.367 3.258 20 0 BGADLO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2cscn2)c1 ZINC000658153391 411267553 /nfs/dbraw/zinc/26/75/53/411267553.db2.gz ZGGMLUMMUSDEMU-QWRGUYRKSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1cncc([C@H](C)[NH2+][C@H](C)c2cscn2)c1 ZINC000658153392 411267847 /nfs/dbraw/zinc/26/78/47/411267847.db2.gz ZGGMLUMMUSDEMU-WDEREUQCSA-N 1 2 247.367 3.258 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000658177213 411282816 /nfs/dbraw/zinc/28/28/16/411282816.db2.gz QVFNMOFBHPTTFI-GFCCVEGCSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000658177215 411282994 /nfs/dbraw/zinc/28/29/94/411282994.db2.gz QVFNMOFBHPTTFI-LBPRGKRZSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000658190115 411285955 /nfs/dbraw/zinc/28/59/55/411285955.db2.gz NGHMJDMQNOGOFQ-MEBBXXQBSA-N 1 2 241.338 3.056 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000658190116 411286072 /nfs/dbraw/zinc/28/60/72/411286072.db2.gz NGHMJDMQNOGOFQ-ZUZCIYMTSA-N 1 2 241.338 3.056 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1cccnc1 ZINC000658336485 411344852 /nfs/dbraw/zinc/34/48/52/411344852.db2.gz GACAGZZLBQGZSD-JTQLQIEISA-N 1 2 242.313 3.414 20 0 BGADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1cccnc1 ZINC000658336492 411344497 /nfs/dbraw/zinc/34/44/97/411344497.db2.gz GACAGZZLBQGZSD-SNVBAGLBSA-N 1 2 242.313 3.414 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccccn1 ZINC000658336692 411344950 /nfs/dbraw/zinc/34/49/50/411344950.db2.gz HFCIRMIJSIFLFF-JTQLQIEISA-N 1 2 242.313 3.414 20 0 BGADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccccn1 ZINC000658336693 411345233 /nfs/dbraw/zinc/34/52/33/411345233.db2.gz HFCIRMIJSIFLFF-SNVBAGLBSA-N 1 2 242.313 3.414 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nccn2C)oc1C ZINC000658337023 411344775 /nfs/dbraw/zinc/34/47/75/411344775.db2.gz BNVPQFHDCGAGQP-GHMZBOCLSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)oc1C ZINC000658337024 411344723 /nfs/dbraw/zinc/34/47/23/411344723.db2.gz BNVPQFHDCGAGQP-MNOVXSKESA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2nccn2C)oc1C ZINC000658337025 411344995 /nfs/dbraw/zinc/34/49/95/411344995.db2.gz BNVPQFHDCGAGQP-QWRGUYRKSA-N 1 2 247.342 3.042 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2nccn2C)oc1C ZINC000658337026 411344469 /nfs/dbraw/zinc/34/44/69/411344469.db2.gz BNVPQFHDCGAGQP-WDEREUQCSA-N 1 2 247.342 3.042 20 0 BGADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1cncs1 ZINC000658337069 411345219 /nfs/dbraw/zinc/34/52/19/411345219.db2.gz KYBALSKIJHJTFM-MRVPVSSYSA-N 1 2 248.342 3.475 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1cncs1 ZINC000658337070 411344529 /nfs/dbraw/zinc/34/45/29/411344529.db2.gz KYBALSKIJHJTFM-QMMMGPOBSA-N 1 2 248.342 3.475 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccncc1 ZINC000658337738 411346625 /nfs/dbraw/zinc/34/66/25/411346625.db2.gz WMVLLFNIFOZSEF-JTQLQIEISA-N 1 2 242.313 3.414 20 0 BGADLO C[C@@H]([NH2+]CC(F)(F)C(C)(C)C)c1ccncc1 ZINC000658337739 411345870 /nfs/dbraw/zinc/34/58/70/411345870.db2.gz WMVLLFNIFOZSEF-SNVBAGLBSA-N 1 2 242.313 3.414 20 0 BGADLO Cc1n[nH]cc1[C@@H](C)[NH2+]CC(F)(F)C(C)(C)C ZINC000658337966 411346063 /nfs/dbraw/zinc/34/60/63/411346063.db2.gz XTQIDOMYSKSJIQ-MRVPVSSYSA-N 1 2 245.317 3.050 20 0 BGADLO Cc1n[nH]cc1[C@H](C)[NH2+]CC(F)(F)C(C)(C)C ZINC000658337967 411346495 /nfs/dbraw/zinc/34/64/95/411346495.db2.gz XTQIDOMYSKSJIQ-QMMMGPOBSA-N 1 2 245.317 3.050 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccccc2C)c(C)o1 ZINC000659812800 411460323 /nfs/dbraw/zinc/46/03/23/411460323.db2.gz ODWCSKJVHDZHAU-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccccc2C)c(C)o1 ZINC000659812800 411460320 /nfs/dbraw/zinc/46/03/20/411460320.db2.gz ODWCSKJVHDZHAU-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccc(F)cc2)c(C)o1 ZINC000659816139 411461338 /nfs/dbraw/zinc/46/13/38/411461338.db2.gz PMAOSALLFULWOX-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccc(F)cc2)c(C)o1 ZINC000659816139 411461335 /nfs/dbraw/zinc/46/13/35/411461335.db2.gz PMAOSALLFULWOX-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO C[N@H+](Cc1ccsc1)Cc1cc(C2CC2)no1 ZINC000659820436 411462448 /nfs/dbraw/zinc/46/24/48/411462448.db2.gz GSNPINJSUIMXNV-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@@H+](Cc1ccsc1)Cc1cc(C2CC2)no1 ZINC000659820436 411462445 /nfs/dbraw/zinc/46/24/45/411462445.db2.gz GSNPINJSUIMXNV-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO Cc1nc(C[N@H+]2CCc3sccc3[C@H]2C)co1 ZINC000659823891 411307868 /nfs/dbraw/zinc/30/78/68/411307868.db2.gz ZUCGIFXUQOEGNV-SECBINFHSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1nc(C[N@@H+]2CCc3sccc3[C@H]2C)co1 ZINC000659823891 411307865 /nfs/dbraw/zinc/30/78/65/411307865.db2.gz ZUCGIFXUQOEGNV-SECBINFHSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1nc(C[N@H+]2CCc3sccc3[C@@H]2C)co1 ZINC000659823892 411307895 /nfs/dbraw/zinc/30/78/95/411307895.db2.gz ZUCGIFXUQOEGNV-VIFPVBQESA-N 1 2 248.351 3.164 20 0 BGADLO Cc1nc(C[N@@H+]2CCc3sccc3[C@@H]2C)co1 ZINC000659823892 411307893 /nfs/dbraw/zinc/30/78/93/411307893.db2.gz ZUCGIFXUQOEGNV-VIFPVBQESA-N 1 2 248.351 3.164 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccc(C)cc2)c(C)o1 ZINC000659826394 411308969 /nfs/dbraw/zinc/30/89/69/411308969.db2.gz HDIQUVOJKGZZGE-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccc(C)cc2)c(C)o1 ZINC000659826394 411308966 /nfs/dbraw/zinc/30/89/66/411308966.db2.gz HDIQUVOJKGZZGE-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO CCc1ccc(C[N@@H+](C)Cc2coc(C)n2)cc1 ZINC000659827085 411464898 /nfs/dbraw/zinc/46/48/98/411464898.db2.gz STSBMIVYVJXLHJ-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1ccc(C[N@H+](C)Cc2coc(C)n2)cc1 ZINC000659827085 411464896 /nfs/dbraw/zinc/46/48/96/411464896.db2.gz STSBMIVYVJXLHJ-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2cccc(F)c2)c(C)o1 ZINC000659827618 411465266 /nfs/dbraw/zinc/46/52/66/411465266.db2.gz ZGYCXFJXDWRLAH-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2cccc(F)c2)c(C)o1 ZINC000659827618 411465263 /nfs/dbraw/zinc/46/52/63/411465263.db2.gz ZGYCXFJXDWRLAH-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2cc(C3CC3)no2)o1 ZINC000659827882 411309911 /nfs/dbraw/zinc/30/99/11/411309911.db2.gz TWWRXZMUXPQYKX-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2cc(C3CC3)no2)o1 ZINC000659827882 411309910 /nfs/dbraw/zinc/30/99/10/411309910.db2.gz TWWRXZMUXPQYKX-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1nc(C[N@H+]2CCC[C@@H]2c2ccsc2)co1 ZINC000659838908 411319974 /nfs/dbraw/zinc/31/99/74/411319974.db2.gz NBAYCMBMOKARIA-CYBMUJFWSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1nc(C[N@@H+]2CCC[C@@H]2c2ccsc2)co1 ZINC000659838908 411319973 /nfs/dbraw/zinc/31/99/73/411319973.db2.gz NBAYCMBMOKARIA-CYBMUJFWSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1nc(C[N@H+]2CCC[C@H]2c2ccsc2)co1 ZINC000659838913 411319979 /nfs/dbraw/zinc/31/99/79/411319979.db2.gz NBAYCMBMOKARIA-ZDUSSCGKSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1nc(C[N@@H+]2CCC[C@H]2c2ccsc2)co1 ZINC000659838913 411319978 /nfs/dbraw/zinc/31/99/78/411319978.db2.gz NBAYCMBMOKARIA-ZDUSSCGKSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2cccc(C)c2)c(C)o1 ZINC000659849314 411475927 /nfs/dbraw/zinc/47/59/27/411475927.db2.gz PKKNPXICBUAGKL-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2cccc(C)c2)c(C)o1 ZINC000659849314 411475925 /nfs/dbraw/zinc/47/59/25/411475925.db2.gz PKKNPXICBUAGKL-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1occc1C[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000659852087 411343250 /nfs/dbraw/zinc/34/32/50/411343250.db2.gz KDWOJLZFROGJGF-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1occc1C[N@H+](C)Cc1cc(C2CC2)no1 ZINC000659852087 411343248 /nfs/dbraw/zinc/34/32/48/411343248.db2.gz KDWOJLZFROGJGF-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO CC[N@@H+](Cc1coc(C)n1)Cc1ccc(C)cc1 ZINC000659856713 411346141 /nfs/dbraw/zinc/34/61/41/411346141.db2.gz GTYBFPUOWLJLNM-UHFFFAOYSA-N 1 2 244.338 3.314 20 0 BGADLO CC[N@H+](Cc1coc(C)n1)Cc1ccc(C)cc1 ZINC000659856713 411346137 /nfs/dbraw/zinc/34/61/37/411346137.db2.gz GTYBFPUOWLJLNM-UHFFFAOYSA-N 1 2 244.338 3.314 20 0 BGADLO Cc1nc(C[N@H+](C)[C@H](C)c2ccco2)c(C)o1 ZINC000659857634 411348615 /nfs/dbraw/zinc/34/86/15/411348615.db2.gz OHUCXQIVLYQADS-SECBINFHSA-N 1 2 234.299 3.077 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@H](C)c2ccco2)c(C)o1 ZINC000659857634 411348613 /nfs/dbraw/zinc/34/86/13/411348613.db2.gz OHUCXQIVLYQADS-SECBINFHSA-N 1 2 234.299 3.077 20 0 BGADLO Cc1nc(C[N@H+](C)[C@@H](C)c2ccco2)c(C)o1 ZINC000659857639 411349220 /nfs/dbraw/zinc/34/92/20/411349220.db2.gz OHUCXQIVLYQADS-VIFPVBQESA-N 1 2 234.299 3.077 20 0 BGADLO Cc1nc(C[N@@H+](C)[C@@H](C)c2ccco2)c(C)o1 ZINC000659857639 411349216 /nfs/dbraw/zinc/34/92/16/411349216.db2.gz OHUCXQIVLYQADS-VIFPVBQESA-N 1 2 234.299 3.077 20 0 BGADLO Cc1nc(C[N@H+](Cc2ccco2)C(C)C)c(C)o1 ZINC000659857997 411349372 /nfs/dbraw/zinc/34/93/72/411349372.db2.gz RNEASJCKUJYXCQ-UHFFFAOYSA-N 1 2 248.326 3.295 20 0 BGADLO Cc1nc(C[N@@H+](Cc2ccco2)C(C)C)c(C)o1 ZINC000659857997 411349370 /nfs/dbraw/zinc/34/93/70/411349370.db2.gz RNEASJCKUJYXCQ-UHFFFAOYSA-N 1 2 248.326 3.295 20 0 BGADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000659858453 411480413 /nfs/dbraw/zinc/48/04/13/411480413.db2.gz VWHFLBYFPRPTPD-JTQLQIEISA-N 1 2 246.310 3.338 20 0 BGADLO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(C2CC2)no1 ZINC000659858453 411480410 /nfs/dbraw/zinc/48/04/10/411480410.db2.gz VWHFLBYFPRPTPD-JTQLQIEISA-N 1 2 246.310 3.338 20 0 BGADLO C[C@H](c1ccco1)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000659858455 411479551 /nfs/dbraw/zinc/47/95/51/411479551.db2.gz VWHFLBYFPRPTPD-SNVBAGLBSA-N 1 2 246.310 3.338 20 0 BGADLO C[C@H](c1ccco1)[N@H+](C)Cc1cc(C2CC2)no1 ZINC000659858455 411479548 /nfs/dbraw/zinc/47/95/48/411479548.db2.gz VWHFLBYFPRPTPD-SNVBAGLBSA-N 1 2 246.310 3.338 20 0 BGADLO CCC[N@@H+](CC(F)F)C[C@@H](OC)C1CCCC1 ZINC000659865468 411483274 /nfs/dbraw/zinc/48/32/74/411483274.db2.gz CCQYKNRYIHSLDH-GFCCVEGCSA-N 1 2 249.345 3.169 20 0 BGADLO CCC[N@H+](CC(F)F)C[C@@H](OC)C1CCCC1 ZINC000659865468 411483271 /nfs/dbraw/zinc/48/32/71/411483271.db2.gz CCQYKNRYIHSLDH-GFCCVEGCSA-N 1 2 249.345 3.169 20 0 BGADLO CCC[N@@H+](CC(F)F)C[C@H](OC)C1CCCC1 ZINC000659865470 411482290 /nfs/dbraw/zinc/48/22/90/411482290.db2.gz CCQYKNRYIHSLDH-LBPRGKRZSA-N 1 2 249.345 3.169 20 0 BGADLO CCC[N@H+](CC(F)F)C[C@H](OC)C1CCCC1 ZINC000659865470 411482287 /nfs/dbraw/zinc/48/22/87/411482287.db2.gz CCQYKNRYIHSLDH-LBPRGKRZSA-N 1 2 249.345 3.169 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1cc(C2CC2)no1 ZINC000659871119 411484316 /nfs/dbraw/zinc/48/43/16/411484316.db2.gz NIGKFDRUCIKQBY-UHFFFAOYSA-N 1 2 246.310 3.167 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1cc(C2CC2)no1 ZINC000659871119 411484314 /nfs/dbraw/zinc/48/43/14/411484314.db2.gz NIGKFDRUCIKQBY-UHFFFAOYSA-N 1 2 246.310 3.167 20 0 BGADLO C[N@@H+](CC[C@H]1CCc2ccccc21)CC(F)F ZINC000659879756 411488331 /nfs/dbraw/zinc/48/83/31/411488331.db2.gz WVQPMXFTAURZAB-GFCCVEGCSA-N 1 2 239.309 3.303 20 0 BGADLO C[N@H+](CC[C@H]1CCc2ccccc21)CC(F)F ZINC000659879756 411488329 /nfs/dbraw/zinc/48/83/29/411488329.db2.gz WVQPMXFTAURZAB-GFCCVEGCSA-N 1 2 239.309 3.303 20 0 BGADLO C[N@@H+](CC[C@@H]1CCc2ccccc21)CC(F)F ZINC000659879757 411488737 /nfs/dbraw/zinc/48/87/37/411488737.db2.gz WVQPMXFTAURZAB-LBPRGKRZSA-N 1 2 239.309 3.303 20 0 BGADLO C[N@H+](CC[C@@H]1CCc2ccccc21)CC(F)F ZINC000659879757 411488735 /nfs/dbraw/zinc/48/87/35/411488735.db2.gz WVQPMXFTAURZAB-LBPRGKRZSA-N 1 2 239.309 3.303 20 0 BGADLO c1c(C[NH+]2Cc3ccccc3C2)onc1C1CC1 ZINC000659903612 411492660 /nfs/dbraw/zinc/49/26/60/411492660.db2.gz HYIHHQCTAUKALM-UHFFFAOYSA-N 1 2 240.306 3.068 20 0 BGADLO FC(F)C[N@@H+](CCCC1CCC1)C1CC1 ZINC000659906882 411493943 /nfs/dbraw/zinc/49/39/43/411493943.db2.gz RYRQMOHGBDUWRK-UHFFFAOYSA-N 1 2 217.303 3.296 20 0 BGADLO FC(F)C[N@H+](CCCC1CCC1)C1CC1 ZINC000659906882 411493941 /nfs/dbraw/zinc/49/39/41/411493941.db2.gz RYRQMOHGBDUWRK-UHFFFAOYSA-N 1 2 217.303 3.296 20 0 BGADLO Cc1nc(C[N@H+]2CCc3ccccc3[C@H]2C)co1 ZINC000659906960 411493589 /nfs/dbraw/zinc/49/35/89/411493589.db2.gz ULVFZCJSRUYMEU-LLVKDONJSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1nc(C[N@@H+]2CCc3ccccc3[C@H]2C)co1 ZINC000659906960 411493587 /nfs/dbraw/zinc/49/35/87/411493587.db2.gz ULVFZCJSRUYMEU-LLVKDONJSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1nc(C[N@H+]2CCc3ccccc3[C@@H]2C)co1 ZINC000659906961 411494544 /nfs/dbraw/zinc/49/45/44/411494544.db2.gz ULVFZCJSRUYMEU-NSHDSACASA-N 1 2 242.322 3.102 20 0 BGADLO Cc1nc(C[N@@H+]2CCc3ccccc3[C@@H]2C)co1 ZINC000659906961 411494542 /nfs/dbraw/zinc/49/45/42/411494542.db2.gz ULVFZCJSRUYMEU-NSHDSACASA-N 1 2 242.322 3.102 20 0 BGADLO CC(C)=CCC[N@@H+](CC(F)F)C1CC1 ZINC000659907809 411494455 /nfs/dbraw/zinc/49/44/55/411494455.db2.gz LUFOPZQMPMMDOM-UHFFFAOYSA-N 1 2 203.276 3.072 20 0 BGADLO CC(C)=CCC[N@H+](CC(F)F)C1CC1 ZINC000659907809 411494453 /nfs/dbraw/zinc/49/44/53/411494453.db2.gz LUFOPZQMPMMDOM-UHFFFAOYSA-N 1 2 203.276 3.072 20 0 BGADLO CC(C)c1cccc(C[N@@H+](C)Cc2cc[nH]n2)c1 ZINC000659920563 411499103 /nfs/dbraw/zinc/49/91/03/411499103.db2.gz PIRSLKIFYJMWNC-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)c1cccc(C[N@H+](C)Cc2cc[nH]n2)c1 ZINC000659920563 411499099 /nfs/dbraw/zinc/49/90/99/411499099.db2.gz PIRSLKIFYJMWNC-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)c1cccc(C[N@@H+](C)Cc2ccon2)c1 ZINC000659946249 411390111 /nfs/dbraw/zinc/39/01/11/411390111.db2.gz GGAYRSNXUKBNLA-UHFFFAOYSA-N 1 2 244.338 3.430 20 0 BGADLO CC(C)c1cccc(C[N@H+](C)Cc2ccon2)c1 ZINC000659946249 411390107 /nfs/dbraw/zinc/39/01/07/411390107.db2.gz GGAYRSNXUKBNLA-UHFFFAOYSA-N 1 2 244.338 3.430 20 0 BGADLO CSc1cccc(C[N@@H+](C)Cc2ccon2)c1 ZINC000659947347 411507208 /nfs/dbraw/zinc/50/72/08/411507208.db2.gz NDJACKBLYVKHLP-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO CSc1cccc(C[N@H+](C)Cc2ccon2)c1 ZINC000659947347 411507206 /nfs/dbraw/zinc/50/72/06/411507206.db2.gz NDJACKBLYVKHLP-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO Cc1nc(C[N@H+]2Cc3ccccc3[C@H]2C)c(C)o1 ZINC000659977828 411516503 /nfs/dbraw/zinc/51/65/03/411516503.db2.gz ZKEFRBLWRCXRPO-SNVBAGLBSA-N 1 2 242.322 3.368 20 0 BGADLO Cc1nc(C[N@@H+]2Cc3ccccc3[C@H]2C)c(C)o1 ZINC000659977828 411516499 /nfs/dbraw/zinc/51/64/99/411516499.db2.gz ZKEFRBLWRCXRPO-SNVBAGLBSA-N 1 2 242.322 3.368 20 0 BGADLO Cc1nc(C[N@H+]2Cc3ccccc3[C@H]2C)co1 ZINC000659978810 411516585 /nfs/dbraw/zinc/51/65/85/411516585.db2.gz KBCONZFIGPXINL-SNVBAGLBSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1nc(C[N@@H+]2Cc3ccccc3[C@H]2C)co1 ZINC000659978810 411516583 /nfs/dbraw/zinc/51/65/83/411516583.db2.gz KBCONZFIGPXINL-SNVBAGLBSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1nc(C[N@H+]2CC[C@H]2c2ccccc2)c(C)o1 ZINC000659985502 411155818 /nfs/dbraw/zinc/15/58/18/411155818.db2.gz LKYAPCYBLPEYDH-HNNXBMFYSA-N 1 2 242.322 3.238 20 0 BGADLO Cc1nc(C[N@@H+]2CC[C@H]2c2ccccc2)c(C)o1 ZINC000659985502 411155814 /nfs/dbraw/zinc/15/58/14/411155814.db2.gz LKYAPCYBLPEYDH-HNNXBMFYSA-N 1 2 242.322 3.238 20 0 BGADLO Cc1nc(C[N@H+]2CC[C@@H]2c2ccccc2)c(C)o1 ZINC000659985503 411155408 /nfs/dbraw/zinc/15/54/08/411155408.db2.gz LKYAPCYBLPEYDH-OAHLLOKOSA-N 1 2 242.322 3.238 20 0 BGADLO Cc1nc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(C)o1 ZINC000659985503 411155406 /nfs/dbraw/zinc/15/54/06/411155406.db2.gz LKYAPCYBLPEYDH-OAHLLOKOSA-N 1 2 242.322 3.238 20 0 BGADLO OCCC[N@@H+](CCC1CCC1)c1ccccc1 ZINC000659995182 411522317 /nfs/dbraw/zinc/52/23/17/411522317.db2.gz YEYFZALWZCHZLI-UHFFFAOYSA-N 1 2 233.355 3.066 20 0 BGADLO OCCC[N@H+](CCC1CCC1)c1ccccc1 ZINC000659995182 411522315 /nfs/dbraw/zinc/52/23/15/411522315.db2.gz YEYFZALWZCHZLI-UHFFFAOYSA-N 1 2 233.355 3.066 20 0 BGADLO CO[C@H](C[N@@H+](CC(F)F)C(C)C)C1CCCC1 ZINC000660018972 411529403 /nfs/dbraw/zinc/52/94/03/411529403.db2.gz YDQLLKDLSUKOAI-GFCCVEGCSA-N 1 2 249.345 3.167 20 0 BGADLO CO[C@H](C[N@H+](CC(F)F)C(C)C)C1CCCC1 ZINC000660018972 411529400 /nfs/dbraw/zinc/52/94/00/411529400.db2.gz YDQLLKDLSUKOAI-GFCCVEGCSA-N 1 2 249.345 3.167 20 0 BGADLO CO[C@@H](C[N@@H+](CC(F)F)C(C)C)C1CCCC1 ZINC000660018973 411529563 /nfs/dbraw/zinc/52/95/63/411529563.db2.gz YDQLLKDLSUKOAI-LBPRGKRZSA-N 1 2 249.345 3.167 20 0 BGADLO CO[C@@H](C[N@H+](CC(F)F)C(C)C)C1CCCC1 ZINC000660018973 411529562 /nfs/dbraw/zinc/52/95/62/411529562.db2.gz YDQLLKDLSUKOAI-LBPRGKRZSA-N 1 2 249.345 3.167 20 0 BGADLO CC(C)c1cccc(Cn2cc[nH+]c2)c1 ZINC000660023703 411529629 /nfs/dbraw/zinc/52/96/29/411529629.db2.gz NAWUXPUFKZLCCN-UHFFFAOYSA-N 1 2 200.285 3.055 20 0 BGADLO CC[C@](C)([NH2+]CC1CC=CC1)C(F)(F)F ZINC000660083711 411535260 /nfs/dbraw/zinc/53/52/60/411535260.db2.gz OYKJQAKJIBYIQD-JTQLQIEISA-N 1 2 221.266 3.273 20 0 BGADLO CC[C@@](C)([NH2+]CC1CC=CC1)C(F)(F)F ZINC000660083712 411535560 /nfs/dbraw/zinc/53/55/60/411535560.db2.gz OYKJQAKJIBYIQD-SNVBAGLBSA-N 1 2 221.266 3.273 20 0 BGADLO CC[C@](C)([NH2+]CCC1CCC1)C(F)(F)F ZINC000660083736 411222225 /nfs/dbraw/zinc/22/22/25/411222225.db2.gz QAGZJGHJQMYICH-JTQLQIEISA-N 1 2 223.282 3.497 20 0 BGADLO CC[C@@](C)([NH2+]CCC1CCC1)C(F)(F)F ZINC000660083738 411222028 /nfs/dbraw/zinc/22/20/28/411222028.db2.gz QAGZJGHJQMYICH-SNVBAGLBSA-N 1 2 223.282 3.497 20 0 BGADLO CC[C@@](C)([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000660083762 411535311 /nfs/dbraw/zinc/53/53/11/411535311.db2.gz QWPKMYHLRONQGL-LMLFDSFASA-N 1 2 235.293 3.353 20 0 BGADLO CC[C@](C)([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C(F)(F)F ZINC000660083765 411535270 /nfs/dbraw/zinc/53/52/70/411535270.db2.gz QWPKMYHLRONQGL-VLEAKVRGSA-N 1 2 235.293 3.353 20 0 BGADLO Cc1nc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)co1 ZINC000660098287 411231114 /nfs/dbraw/zinc/23/11/14/411231114.db2.gz WMNAWAUYQBNVDT-JTQLQIEISA-N 1 2 246.310 3.302 20 0 BGADLO Cc1nc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)co1 ZINC000660098287 411231112 /nfs/dbraw/zinc/23/11/12/411231112.db2.gz WMNAWAUYQBNVDT-JTQLQIEISA-N 1 2 246.310 3.302 20 0 BGADLO Cc1nc(C[N@H+]([C@H](C)c2ccco2)C2CC2)co1 ZINC000660098292 411230594 /nfs/dbraw/zinc/23/05/94/411230594.db2.gz WMNAWAUYQBNVDT-SNVBAGLBSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1nc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)co1 ZINC000660098292 411230592 /nfs/dbraw/zinc/23/05/92/411230592.db2.gz WMNAWAUYQBNVDT-SNVBAGLBSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cccc(Cl)c1CN(C)Cc1[nH]cc[nH+]1 ZINC000660141911 411544831 /nfs/dbraw/zinc/54/48/31/411544831.db2.gz KRXQGQFUCBDHLX-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO CC(C)c1cccc(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000660142114 411545072 /nfs/dbraw/zinc/54/50/72/411545072.db2.gz NZTVBPNDKQMPNB-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)c1cccc(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000660142114 411545071 /nfs/dbraw/zinc/54/50/71/411545071.db2.gz NZTVBPNDKQMPNB-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO Cc1ccc(CN(C)Cc2[nH]cc[nH+]2)c(Cl)c1 ZINC000660142411 411544774 /nfs/dbraw/zinc/54/47/74/411544774.db2.gz XIDSXTOXRUIVSQ-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO COCC1([N@@H+](C)Cc2ccsc2Cl)CC1 ZINC000660149825 411546938 /nfs/dbraw/zinc/54/69/38/411546938.db2.gz SQQNOWRVBLHQDV-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO COCC1([N@H+](C)Cc2ccsc2Cl)CC1 ZINC000660149825 411546936 /nfs/dbraw/zinc/54/69/36/411546936.db2.gz SQQNOWRVBLHQDV-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CSc1cccc(C[N@H+]2CCC=C(F)C2)c1 ZINC000660167589 411275099 /nfs/dbraw/zinc/27/50/99/411275099.db2.gz WABCPXCTDGSZOQ-UHFFFAOYSA-N 1 2 237.343 3.468 20 0 BGADLO CSc1cccc(C[N@@H+]2CCC=C(F)C2)c1 ZINC000660167589 411275096 /nfs/dbraw/zinc/27/50/96/411275096.db2.gz WABCPXCTDGSZOQ-UHFFFAOYSA-N 1 2 237.343 3.468 20 0 BGADLO Cc1nc(C[NH2+]C2(c3ccccc3)CC2)c(C)o1 ZINC000660191537 411552719 /nfs/dbraw/zinc/55/27/19/411552719.db2.gz BDXVBSXBPBCMDD-UHFFFAOYSA-N 1 2 242.322 3.070 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)co1 ZINC000660201540 411552842 /nfs/dbraw/zinc/55/28/42/411552842.db2.gz KBWNPSAIXWFUGB-SNVBAGLBSA-N 1 2 248.301 3.281 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)co1 ZINC000660204697 411552983 /nfs/dbraw/zinc/55/29/83/411552983.db2.gz NLJJQBIQNIKNFE-SNVBAGLBSA-N 1 2 248.301 3.281 20 0 BGADLO CC[C@H](CC(F)F)C[N@H+]1CCC(F)(F)C1 ZINC000660216507 411554515 /nfs/dbraw/zinc/55/45/15/411554515.db2.gz XYHMFTVCGADBAZ-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO CC[C@H](CC(F)F)C[N@@H+]1CCC(F)(F)C1 ZINC000660216507 411554514 /nfs/dbraw/zinc/55/45/14/411554514.db2.gz XYHMFTVCGADBAZ-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO CC[C@@H](CC(F)F)C[N@H+]1CCC(F)(F)C1 ZINC000660216508 411554748 /nfs/dbraw/zinc/55/47/48/411554748.db2.gz XYHMFTVCGADBAZ-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO CC[C@@H](CC(F)F)C[N@@H+]1CCC(F)(F)C1 ZINC000660216508 411554747 /nfs/dbraw/zinc/55/47/47/411554747.db2.gz XYHMFTVCGADBAZ-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)no2)o1 ZINC000660257562 411560651 /nfs/dbraw/zinc/56/06/51/411560651.db2.gz UJAYYESRPINNFP-JTQLQIEISA-N 1 2 246.310 3.304 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)no2)o1 ZINC000660257563 411560531 /nfs/dbraw/zinc/56/05/31/411560531.db2.gz UJAYYESRPINNFP-SNVBAGLBSA-N 1 2 246.310 3.304 20 0 BGADLO CC[N@@H+](CC(F)F)C[C@@H](OC)C1CCCCC1 ZINC000660277870 411563833 /nfs/dbraw/zinc/56/38/33/411563833.db2.gz WNMGVDSAYGORCA-GFCCVEGCSA-N 1 2 249.345 3.169 20 0 BGADLO CC[N@H+](CC(F)F)C[C@@H](OC)C1CCCCC1 ZINC000660277870 411563831 /nfs/dbraw/zinc/56/38/31/411563831.db2.gz WNMGVDSAYGORCA-GFCCVEGCSA-N 1 2 249.345 3.169 20 0 BGADLO CC[N@@H+](CC(F)F)C[C@H](OC)C1CCCCC1 ZINC000660277874 411564115 /nfs/dbraw/zinc/56/41/15/411564115.db2.gz WNMGVDSAYGORCA-LBPRGKRZSA-N 1 2 249.345 3.169 20 0 BGADLO CC[N@H+](CC(F)F)C[C@H](OC)C1CCCCC1 ZINC000660277874 411564113 /nfs/dbraw/zinc/56/41/13/411564113.db2.gz WNMGVDSAYGORCA-LBPRGKRZSA-N 1 2 249.345 3.169 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccc(F)cc2C)co1 ZINC000660405517 411580094 /nfs/dbraw/zinc/58/00/94/411580094.db2.gz FABZXTFOWXHSLJ-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccc(F)cc2C)co1 ZINC000660405517 411580092 /nfs/dbraw/zinc/58/00/92/411580092.db2.gz FABZXTFOWXHSLJ-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2cc(C)ccc2C)co1 ZINC000660415378 411489129 /nfs/dbraw/zinc/48/91/29/411489129.db2.gz WLESNSGOTDFOEK-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2cc(C)ccc2C)co1 ZINC000660415378 411489127 /nfs/dbraw/zinc/48/91/27/411489127.db2.gz WLESNSGOTDFOEK-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2cc(C)cc(C)c2)co1 ZINC000660422700 411582623 /nfs/dbraw/zinc/58/26/23/411582623.db2.gz YDDUDOGFSYXBNS-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2cc(C)cc(C)c2)co1 ZINC000660422700 411582622 /nfs/dbraw/zinc/58/26/22/411582622.db2.gz YDDUDOGFSYXBNS-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2ccsc2)c(C)o1 ZINC000660484957 411592667 /nfs/dbraw/zinc/59/26/67/411592667.db2.gz SRLGVNYTNWLBRO-MRVPVSSYSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1nc(C[NH2+][C@@H](C)c2ccsc2)c(C)o1 ZINC000660484958 411593099 /nfs/dbraw/zinc/59/30/99/411593099.db2.gz SRLGVNYTNWLBRO-QMMMGPOBSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2cccc(C)c2C)co1 ZINC000660609493 411354675 /nfs/dbraw/zinc/35/46/75/411354675.db2.gz WVBODOWWHQADCS-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2cccc(C)c2C)co1 ZINC000660609493 411354672 /nfs/dbraw/zinc/35/46/72/411354672.db2.gz WVBODOWWHQADCS-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1ccoc1C[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000660613537 411607313 /nfs/dbraw/zinc/60/73/13/411607313.db2.gz FIUHLDICEGVSPH-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1ccoc1C[N@H+](C)Cc1cc(C2CC2)no1 ZINC000660613537 411607310 /nfs/dbraw/zinc/60/73/10/411607310.db2.gz FIUHLDICEGVSPH-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1nc(C[NH2+]C(C)(C)c2ccccc2F)co1 ZINC000660615419 411607728 /nfs/dbraw/zinc/60/77/28/411607728.db2.gz PVIBDRUWWPFKSA-UHFFFAOYSA-N 1 2 248.301 3.147 20 0 BGADLO Cc1nc(C[N@H+](C)Cc2ccc(C)c(C)c2)co1 ZINC000660754142 409708695 /nfs/dbraw/zinc/70/86/95/409708695.db2.gz AWTMHXOXCWQYTL-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1nc(C[N@@H+](C)Cc2ccc(C)c(C)c2)co1 ZINC000660754142 409708687 /nfs/dbraw/zinc/70/86/87/409708687.db2.gz AWTMHXOXCWQYTL-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO CC[N@H+](Cc1nc(C)oc1C)Cc1occc1C ZINC000660808397 411642914 /nfs/dbraw/zinc/64/29/14/411642914.db2.gz PASQBCZHSDJEEN-UHFFFAOYSA-N 1 2 248.326 3.215 20 0 BGADLO CC[N@@H+](Cc1nc(C)oc1C)Cc1occc1C ZINC000660808397 411642911 /nfs/dbraw/zinc/64/29/11/411642911.db2.gz PASQBCZHSDJEEN-UHFFFAOYSA-N 1 2 248.326 3.215 20 0 BGADLO Cc1nc(C[NH2+]C2(c3ccccc3C)CC2)co1 ZINC000660900771 411665357 /nfs/dbraw/zinc/66/53/57/411665357.db2.gz JYVLBJTUSSTTCK-UHFFFAOYSA-N 1 2 242.322 3.070 20 0 BGADLO CC[C@H](CC(F)F)C[N@H+]1CCCC(F)(F)C1 ZINC000660913034 411670773 /nfs/dbraw/zinc/67/07/73/411670773.db2.gz RAHFIIPUYACFEN-SECBINFHSA-N 1 2 241.272 3.399 20 0 BGADLO CC[C@H](CC(F)F)C[N@@H+]1CCCC(F)(F)C1 ZINC000660913034 411670771 /nfs/dbraw/zinc/67/07/71/411670771.db2.gz RAHFIIPUYACFEN-SECBINFHSA-N 1 2 241.272 3.399 20 0 BGADLO CC[C@@H](CC(F)F)C[N@H+]1CCCC(F)(F)C1 ZINC000660913035 411671131 /nfs/dbraw/zinc/67/11/31/411671131.db2.gz RAHFIIPUYACFEN-VIFPVBQESA-N 1 2 241.272 3.399 20 0 BGADLO CC[C@@H](CC(F)F)C[N@@H+]1CCCC(F)(F)C1 ZINC000660913035 411671127 /nfs/dbraw/zinc/67/11/27/411671127.db2.gz RAHFIIPUYACFEN-VIFPVBQESA-N 1 2 241.272 3.399 20 0 BGADLO CC(C)=CCC[N@H+]1CCCC(F)(F)C1 ZINC000660913364 411671143 /nfs/dbraw/zinc/67/11/43/411671143.db2.gz SCELNYRKUCWZPW-UHFFFAOYSA-N 1 2 203.276 3.074 20 0 BGADLO CC(C)=CCC[N@@H+]1CCCC(F)(F)C1 ZINC000660913364 411671139 /nfs/dbraw/zinc/67/11/39/411671139.db2.gz SCELNYRKUCWZPW-UHFFFAOYSA-N 1 2 203.276 3.074 20 0 BGADLO CC[C@H]([NH2+]Cc1coc(C)n1)c1ccccc1F ZINC000660915128 411671075 /nfs/dbraw/zinc/67/10/75/411671075.db2.gz XLZNDDGCAFTLOJ-AWEZNQCLSA-N 1 2 248.301 3.363 20 0 BGADLO CC[C@@H]([NH2+]Cc1coc(C)n1)c1ccccc1F ZINC000660924582 411674192 /nfs/dbraw/zinc/67/41/92/411674192.db2.gz XLZNDDGCAFTLOJ-CQSZACIVSA-N 1 2 248.301 3.363 20 0 BGADLO Clc1cnc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)s1 ZINC000660930472 411680775 /nfs/dbraw/zinc/68/07/75/411680775.db2.gz IFOOYMSMUDXNCK-IUCAKERBSA-N 1 2 242.775 3.171 20 0 BGADLO Clc1cnc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)s1 ZINC000660930472 411680772 /nfs/dbraw/zinc/68/07/72/411680772.db2.gz IFOOYMSMUDXNCK-IUCAKERBSA-N 1 2 242.775 3.171 20 0 BGADLO Cc1cc(Cl)ccc1C[N@@H+](C)Cc1c[nH]cn1 ZINC000661087789 411699489 /nfs/dbraw/zinc/69/94/89/411699489.db2.gz ASCMOZUOMPYVCP-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)ccc1C[N@H+](C)Cc1c[nH]cn1 ZINC000661087789 411699486 /nfs/dbraw/zinc/69/94/86/411699486.db2.gz ASCMOZUOMPYVCP-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)ccc1C[N@@H+](C)Cc1cnc[nH]1 ZINC000661087789 411699484 /nfs/dbraw/zinc/69/94/84/411699484.db2.gz ASCMOZUOMPYVCP-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)ccc1C[N@H+](C)Cc1cnc[nH]1 ZINC000661087789 411699482 /nfs/dbraw/zinc/69/94/82/411699482.db2.gz ASCMOZUOMPYVCP-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1ccc(CN(C)Cc2c[nH+]c[nH]2)c(Cl)c1 ZINC000661089607 411699977 /nfs/dbraw/zinc/69/99/77/411699977.db2.gz DBPQQKIJMRDCTG-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO CC(C)c1cccc(C[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000661089971 411702914 /nfs/dbraw/zinc/70/29/14/411702914.db2.gz AOUZIAIQYBNARU-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)c1cccc(C[N@H+](C)Cc2cnc[nH]2)c1 ZINC000661089971 411702912 /nfs/dbraw/zinc/70/29/12/411702912.db2.gz AOUZIAIQYBNARU-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CCCCc1nc(C[N@@H+](CC)[C@H](C)CC)no1 ZINC000661109187 488032376 /nfs/dbraw/zinc/03/23/76/488032376.db2.gz PTTXWQNDRPRSTG-LLVKDONJSA-N 1 2 239.363 3.033 20 0 BGADLO CCCCc1nc(C[N@H+](CC)[C@H](C)CC)no1 ZINC000661109187 488032374 /nfs/dbraw/zinc/03/23/74/488032374.db2.gz PTTXWQNDRPRSTG-LLVKDONJSA-N 1 2 239.363 3.033 20 0 BGADLO CCCCc1nc(C[N@@H+](CC)[C@@H](C)CC)no1 ZINC000661109194 488032406 /nfs/dbraw/zinc/03/24/06/488032406.db2.gz PTTXWQNDRPRSTG-NSHDSACASA-N 1 2 239.363 3.033 20 0 BGADLO CCCCc1nc(C[N@H+](CC)[C@@H](C)CC)no1 ZINC000661109194 488032403 /nfs/dbraw/zinc/03/24/03/488032403.db2.gz PTTXWQNDRPRSTG-NSHDSACASA-N 1 2 239.363 3.033 20 0 BGADLO c1coc(C2CC[NH+](Cc3nccs3)CC2)c1 ZINC000661162948 411724777 /nfs/dbraw/zinc/72/47/77/411724777.db2.gz ZGDNTCUUOSAQAU-UHFFFAOYSA-N 1 2 248.351 3.116 20 0 BGADLO c1coc(C2CC[NH+](Cc3cscn3)CC2)c1 ZINC000661164969 411724790 /nfs/dbraw/zinc/72/47/90/411724790.db2.gz MNNMOESDRKFJDQ-UHFFFAOYSA-N 1 2 248.351 3.116 20 0 BGADLO CC1(C)C[N@@H+](CC(F)F)CCc2ccccc21 ZINC000661212159 411734290 /nfs/dbraw/zinc/73/42/90/411734290.db2.gz UMJRPDSDIGLVRS-UHFFFAOYSA-N 1 2 239.309 3.087 20 0 BGADLO CC1(C)C[N@H+](CC(F)F)CCc2ccccc21 ZINC000661212159 411734288 /nfs/dbraw/zinc/73/42/88/411734288.db2.gz UMJRPDSDIGLVRS-UHFFFAOYSA-N 1 2 239.309 3.087 20 0 BGADLO Cc1ccc2c(c1)C[N@H+](Cc1nccs1)CC2 ZINC000661371058 411757490 /nfs/dbraw/zinc/75/74/90/411757490.db2.gz BHHTXPJNYJNURA-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1ccc2c(c1)C[N@@H+](Cc1nccs1)CC2 ZINC000661371058 411757484 /nfs/dbraw/zinc/75/74/84/411757484.db2.gz BHHTXPJNYJNURA-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1ccc2c(c1)C[N@H+](Cc1cscn1)CC2 ZINC000661375527 411758231 /nfs/dbraw/zinc/75/82/31/411758231.db2.gz NXWQDTURPUCAAU-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1ccc2c(c1)C[N@@H+](Cc1cscn1)CC2 ZINC000661375527 411758228 /nfs/dbraw/zinc/75/82/28/411758228.db2.gz NXWQDTURPUCAAU-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)c2cscn2)c(C)n1 ZINC000661414770 410625886 /nfs/dbraw/zinc/62/58/86/410625886.db2.gz CIDLUBFMICBBOO-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)c(C)n1 ZINC000661414781 410625913 /nfs/dbraw/zinc/62/59/13/410625913.db2.gz CIDLUBFMICBBOO-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO CC(C)[C@H]([NH2+]Cc1ccon1)c1ccccc1F ZINC000661482474 411785375 /nfs/dbraw/zinc/78/53/75/411785375.db2.gz ADRDBOQKPHVSAL-AWEZNQCLSA-N 1 2 248.301 3.301 20 0 BGADLO CC(C)[C@@H]([NH2+]Cc1ccon1)c1ccccc1F ZINC000661482475 411784611 /nfs/dbraw/zinc/78/46/11/411784611.db2.gz ADRDBOQKPHVSAL-CQSZACIVSA-N 1 2 248.301 3.301 20 0 BGADLO CC(C)[C@@H]([NH2+]CC(F)F)c1ccccc1F ZINC000661483210 410695137 /nfs/dbraw/zinc/69/51/37/410695137.db2.gz GUNSCWNKSDHKBX-GFCCVEGCSA-N 1 2 231.261 3.378 20 0 BGADLO CC(C)[C@H]([NH2+]CC(F)F)c1ccccc1F ZINC000661483211 410695089 /nfs/dbraw/zinc/69/50/89/410695089.db2.gz GUNSCWNKSDHKBX-LBPRGKRZSA-N 1 2 231.261 3.378 20 0 BGADLO CC(C)[C@H]([NH2+]Cc1c[nH]cn1)c1ccccc1F ZINC000661486186 410698372 /nfs/dbraw/zinc/69/83/72/410698372.db2.gz UIAGUKBZHYAVEY-AWEZNQCLSA-N 1 2 247.317 3.036 20 0 BGADLO CC(C)[C@@H]([NH2+]Cc1c[nH]cn1)c1ccccc1F ZINC000661486187 410698651 /nfs/dbraw/zinc/69/86/51/410698651.db2.gz UIAGUKBZHYAVEY-CQSZACIVSA-N 1 2 247.317 3.036 20 0 BGADLO Fc1ccc([C@H]2CC[N@H+]2Cc2cncs2)cc1 ZINC000661505953 411792136 /nfs/dbraw/zinc/79/21/36/411792136.db2.gz CJLSASUKWZLKIW-CYBMUJFWSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1ccc([C@H]2CC[N@@H+]2Cc2cncs2)cc1 ZINC000661505953 411792134 /nfs/dbraw/zinc/79/21/34/411792134.db2.gz CJLSASUKWZLKIW-CYBMUJFWSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1ccc([C@@H]2CC[N@H+]2Cc2cncs2)cc1 ZINC000661505961 411791786 /nfs/dbraw/zinc/79/17/86/411791786.db2.gz CJLSASUKWZLKIW-ZDUSSCGKSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1ccc([C@@H]2CC[N@@H+]2Cc2cncs2)cc1 ZINC000661505961 411791781 /nfs/dbraw/zinc/79/17/81/411791781.db2.gz CJLSASUKWZLKIW-ZDUSSCGKSA-N 1 2 248.326 3.229 20 0 BGADLO Cc1cc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)on1 ZINC000661510500 411791721 /nfs/dbraw/zinc/79/17/21/411791721.db2.gz BWJOXFALBRHNGM-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1cc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)on1 ZINC000661510500 411791717 /nfs/dbraw/zinc/79/17/17/411791717.db2.gz BWJOXFALBRHNGM-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1cc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)on1 ZINC000661510504 411791979 /nfs/dbraw/zinc/79/19/79/411791979.db2.gz BWJOXFALBRHNGM-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1cc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)on1 ZINC000661510504 411791975 /nfs/dbraw/zinc/79/19/75/411791975.db2.gz BWJOXFALBRHNGM-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Fc1ccc([C@@H]2CC[N@H+]2Cc2cccnc2)cc1 ZINC000661510555 411791582 /nfs/dbraw/zinc/79/15/82/411791582.db2.gz IALFRZKXXCLVPW-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccc([C@@H]2CC[N@@H+]2Cc2cccnc2)cc1 ZINC000661510555 411791578 /nfs/dbraw/zinc/79/15/78/411791578.db2.gz IALFRZKXXCLVPW-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccc([C@H]2CC[N@H+]2Cc2cccnc2)cc1 ZINC000661510563 411791084 /nfs/dbraw/zinc/79/10/84/411791084.db2.gz IALFRZKXXCLVPW-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccc([C@H]2CC[N@@H+]2Cc2cccnc2)cc1 ZINC000661510563 411791083 /nfs/dbraw/zinc/79/10/83/411791083.db2.gz IALFRZKXXCLVPW-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccc([C@@H]2CC[N@H+]2Cc2ccccn2)cc1 ZINC000661512894 411794115 /nfs/dbraw/zinc/79/41/15/411794115.db2.gz PRXJFQFFMPAMLI-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccc([C@@H]2CC[N@@H+]2Cc2ccccn2)cc1 ZINC000661512894 411794110 /nfs/dbraw/zinc/79/41/10/411794110.db2.gz PRXJFQFFMPAMLI-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccc([C@H]2CC[N@H+]2Cc2ccccn2)cc1 ZINC000661512895 411794651 /nfs/dbraw/zinc/79/46/51/411794651.db2.gz PRXJFQFFMPAMLI-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1ccc([C@H]2CC[N@@H+]2Cc2ccccn2)cc1 ZINC000661512895 411794648 /nfs/dbraw/zinc/79/46/48/411794648.db2.gz PRXJFQFFMPAMLI-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Cc1nocc1C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514900 411794169 /nfs/dbraw/zinc/79/41/69/411794169.db2.gz UATMNNREGJCNGQ-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1nocc1C[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000661514900 411794164 /nfs/dbraw/zinc/79/41/64/411794164.db2.gz UATMNNREGJCNGQ-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1nocc1C[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514901 411794643 /nfs/dbraw/zinc/79/46/43/411794643.db2.gz UATMNNREGJCNGQ-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1nocc1C[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000661514901 411794641 /nfs/dbraw/zinc/79/46/41/411794641.db2.gz UATMNNREGJCNGQ-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO C[C@H](c1cccc(F)c1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661550688 411801737 /nfs/dbraw/zinc/80/17/37/411801737.db2.gz GQJIFERYNLGYCY-IJLUTSLNSA-N 1 2 249.329 3.044 20 0 BGADLO C[C@@H](c1cccc(F)c1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661550689 411801755 /nfs/dbraw/zinc/80/17/55/411801755.db2.gz GQJIFERYNLGYCY-UTUOFQBUSA-N 1 2 249.329 3.044 20 0 BGADLO C[C@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661551388 411801457 /nfs/dbraw/zinc/80/14/57/411801457.db2.gz HKWBNSUCNFUATP-IJLUTSLNSA-N 1 2 249.329 3.044 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661551389 411801339 /nfs/dbraw/zinc/80/13/39/411801339.db2.gz HKWBNSUCNFUATP-UTUOFQBUSA-N 1 2 249.329 3.044 20 0 BGADLO C[C@H](c1ccccc1F)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661551412 411801465 /nfs/dbraw/zinc/80/14/65/411801465.db2.gz IGMVQCJREOQLFX-IJLUTSLNSA-N 1 2 249.329 3.044 20 0 BGADLO C[C@@H](c1ccccc1F)[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661551453 411801121 /nfs/dbraw/zinc/80/11/21/411801121.db2.gz IGMVQCJREOQLFX-UTUOFQBUSA-N 1 2 249.329 3.044 20 0 BGADLO CCC1(CC)CCC[N@@H+](CC(F)F)C1 ZINC000661671929 411833747 /nfs/dbraw/zinc/83/37/47/411833747.db2.gz IBMCIOYDXJTAKV-UHFFFAOYSA-N 1 2 205.292 3.154 20 0 BGADLO CCC1(CC)CCC[N@H+](CC(F)F)C1 ZINC000661671929 411833743 /nfs/dbraw/zinc/83/37/43/411833743.db2.gz IBMCIOYDXJTAKV-UHFFFAOYSA-N 1 2 205.292 3.154 20 0 BGADLO CC(C)=CC[N@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661732746 411859773 /nfs/dbraw/zinc/85/97/73/411859773.db2.gz YPGPZYTVRYEGAI-HNNXBMFYSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@@H+]1CCOC[C@H]1c1cccc(F)c1 ZINC000661732746 411859770 /nfs/dbraw/zinc/85/97/70/411859770.db2.gz YPGPZYTVRYEGAI-HNNXBMFYSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661732747 411859986 /nfs/dbraw/zinc/85/99/86/411859986.db2.gz YPGPZYTVRYEGAI-OAHLLOKOSA-N 1 2 249.329 3.165 20 0 BGADLO CC(C)=CC[N@@H+]1CCOC[C@@H]1c1cccc(F)c1 ZINC000661732747 411859983 /nfs/dbraw/zinc/85/99/83/411859983.db2.gz YPGPZYTVRYEGAI-OAHLLOKOSA-N 1 2 249.329 3.165 20 0 BGADLO CC[N@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661799731 411886604 /nfs/dbraw/zinc/88/66/04/411886604.db2.gz QKKLKFXKVCYCAM-MFKMUULPSA-N 1 2 239.746 3.122 20 0 BGADLO CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)[C@H]1C ZINC000661799731 411886601 /nfs/dbraw/zinc/88/66/01/411886601.db2.gz QKKLKFXKVCYCAM-MFKMUULPSA-N 1 2 239.746 3.122 20 0 BGADLO C[C@@H]([NH2+]CC(F)(F)F)C1CCC(F)CC1 ZINC000662001559 411939712 /nfs/dbraw/zinc/93/97/12/411939712.db2.gz WZBRRAFJBVGNPT-AFPNSQJFSA-N 1 2 227.245 3.055 20 0 BGADLO C[C@H]([NH2+]CC(F)(F)F)C1CCC(F)CC1 ZINC000662001560 411939536 /nfs/dbraw/zinc/93/95/36/411939536.db2.gz WZBRRAFJBVGNPT-UEJVZZJDSA-N 1 2 227.245 3.055 20 0 BGADLO CCC(CC)CCC[N@@H+](C)Cc1csnn1 ZINC000662037044 411953555 /nfs/dbraw/zinc/95/35/55/411953555.db2.gz KGUOVWLUCZJGKT-UHFFFAOYSA-N 1 2 241.404 3.186 20 0 BGADLO CCC(CC)CCC[N@H+](C)Cc1csnn1 ZINC000662037044 411953551 /nfs/dbraw/zinc/95/35/51/411953551.db2.gz KGUOVWLUCZJGKT-UHFFFAOYSA-N 1 2 241.404 3.186 20 0 BGADLO CCC(CC)CCC[N@@H+](C)Cc1noc(C)n1 ZINC000662040187 411958943 /nfs/dbraw/zinc/95/89/43/411958943.db2.gz RVYSGTKXQWJVKG-UHFFFAOYSA-N 1 2 239.363 3.026 20 0 BGADLO CCC(CC)CCC[N@H+](C)Cc1noc(C)n1 ZINC000662040187 411958941 /nfs/dbraw/zinc/95/89/41/411958941.db2.gz RVYSGTKXQWJVKG-UHFFFAOYSA-N 1 2 239.363 3.026 20 0 BGADLO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1noc(C2CC2)n1 ZINC000662158590 412010761 /nfs/dbraw/zinc/01/07/61/412010761.db2.gz VQIHNGVIWZGXJQ-CMPLNLGQSA-N 1 2 249.358 3.100 20 0 BGADLO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1noc(C2CC2)n1 ZINC000662158590 412010756 /nfs/dbraw/zinc/01/07/56/412010756.db2.gz VQIHNGVIWZGXJQ-CMPLNLGQSA-N 1 2 249.358 3.100 20 0 BGADLO CC[N@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662192736 412023363 /nfs/dbraw/zinc/02/33/63/412023363.db2.gz UHFVWTJUGYKEGB-UHFFFAOYSA-N 1 2 240.144 3.093 20 0 BGADLO CC[N@@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000662192736 412023360 /nfs/dbraw/zinc/02/33/60/412023360.db2.gz UHFVWTJUGYKEGB-UHFFFAOYSA-N 1 2 240.144 3.093 20 0 BGADLO Cc1nnc(C[N@@H+](C)CCCC(C)(C)C)s1 ZINC000662254817 409551939 /nfs/dbraw/zinc/55/19/39/409551939.db2.gz ABAVVOWTXQNLKZ-UHFFFAOYSA-N 1 2 241.404 3.105 20 0 BGADLO Cc1nnc(C[N@H+](C)CCCC(C)(C)C)s1 ZINC000662254817 409551929 /nfs/dbraw/zinc/55/19/29/409551929.db2.gz ABAVVOWTXQNLKZ-UHFFFAOYSA-N 1 2 241.404 3.105 20 0 BGADLO Cc1noc([C@@H](C)[N@H+]2Cc3ccccc3[C@H]2C)n1 ZINC000662290303 412079961 /nfs/dbraw/zinc/07/99/61/412079961.db2.gz PEARXLIJRPNSGI-NXEZZACHSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1noc([C@@H](C)[N@@H+]2Cc3ccccc3[C@H]2C)n1 ZINC000662290303 412079957 /nfs/dbraw/zinc/07/99/57/412079957.db2.gz PEARXLIJRPNSGI-NXEZZACHSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1noc([C@H](C)[N@H+]2Cc3ccccc3[C@H]2C)n1 ZINC000662290311 412080405 /nfs/dbraw/zinc/08/04/05/412080405.db2.gz PEARXLIJRPNSGI-ZJUUUORDSA-N 1 2 243.310 3.016 20 0 BGADLO Cc1noc([C@H](C)[N@@H+]2Cc3ccccc3[C@H]2C)n1 ZINC000662290311 412080400 /nfs/dbraw/zinc/08/04/00/412080400.db2.gz PEARXLIJRPNSGI-ZJUUUORDSA-N 1 2 243.310 3.016 20 0 BGADLO CC1(C)C[C@@]1([NH2+]CC(F)F)c1ccccc1 ZINC000662339586 409651749 /nfs/dbraw/zinc/65/17/49/409651749.db2.gz AOLGRTHXRCSHNX-CYBMUJFWSA-N 1 2 225.282 3.167 20 0 BGADLO CC1(C)C[C@]1([NH2+]CC(F)F)c1ccccc1 ZINC000662339587 409651629 /nfs/dbraw/zinc/65/16/29/409651629.db2.gz AOLGRTHXRCSHNX-ZDUSSCGKSA-N 1 2 225.282 3.167 20 0 BGADLO CC1(C)C[C@]1([NH2+]Cc1ccon1)c1ccccc1 ZINC000662340534 412110021 /nfs/dbraw/zinc/11/00/21/412110021.db2.gz LUVSXJZSDUDCEF-HNNXBMFYSA-N 1 2 242.322 3.090 20 0 BGADLO CC1(C)C[C@@]1([NH2+]Cc1ccon1)c1ccccc1 ZINC000662340536 412109548 /nfs/dbraw/zinc/10/95/48/412109548.db2.gz LUVSXJZSDUDCEF-OAHLLOKOSA-N 1 2 242.322 3.090 20 0 BGADLO CC1(C)CCCc2sc(Cn3cc[nH+]c3)nc21 ZINC000663219827 412394453 /nfs/dbraw/zinc/39/44/53/412394453.db2.gz LLQYMVDRPYNSBA-UHFFFAOYSA-N 1 2 247.367 3.002 20 0 BGADLO c1cn(Cc2nc(C3CCCC3)cs2)c[nH+]1 ZINC000663221241 412394897 /nfs/dbraw/zinc/39/48/97/412394897.db2.gz ZUQWNTNNJUQBQJ-UHFFFAOYSA-N 1 2 233.340 3.046 20 0 BGADLO Fc1cc2[nH+]cn(C[C@@H]3C[C@H]4C[C@H]4C3)c2cc1F ZINC000663239511 412399008 /nfs/dbraw/zinc/39/90/08/412399008.db2.gz RHLTZBBCSLZTST-ILWJIGKKSA-N 1 2 248.276 3.361 20 0 BGADLO CC(C)c1cccc(COCc2[nH]cc[nH+]2)c1 ZINC000663247451 412400565 /nfs/dbraw/zinc/40/05/65/412400565.db2.gz GKXUSYGTKKOJLI-UHFFFAOYSA-N 1 2 230.311 3.250 20 0 BGADLO CC1(C)CCCC[C@@H]1COCc1[nH]cc[nH+]1 ZINC000663248105 412400597 /nfs/dbraw/zinc/40/05/97/412400597.db2.gz JPXBYRKIJUWXOG-LLVKDONJSA-N 1 2 222.332 3.143 20 0 BGADLO CC1(C)CCCC[C@H]1COCc1[nH]cc[nH+]1 ZINC000663248106 412400630 /nfs/dbraw/zinc/40/06/30/412400630.db2.gz JPXBYRKIJUWXOG-NSHDSACASA-N 1 2 222.332 3.143 20 0 BGADLO c1cnn(-c2ccc([NH2+]CC3CC=CC3)cc2)c1 ZINC000663276162 412405438 /nfs/dbraw/zinc/40/54/38/412405438.db2.gz XGKFWWZWGWXWCG-UHFFFAOYSA-N 1 2 239.322 3.250 20 0 BGADLO COc1cc(C)ccc1[NH2+]CC1CC=CC1 ZINC000663276486 412406818 /nfs/dbraw/zinc/40/68/18/412406818.db2.gz ZNGCNEYIGQZYPU-UHFFFAOYSA-N 1 2 217.312 3.382 20 0 BGADLO CC(C)c1cccc(C[NH2+]Cc2ccon2)c1 ZINC000663318006 411623813 /nfs/dbraw/zinc/62/38/13/411623813.db2.gz JKYWGJRQFLWAHM-UHFFFAOYSA-N 1 2 230.311 3.088 20 0 BGADLO C[C@@H]1CCCCN1c1[nH+]ccc2c(N)cccc21 ZINC000663318054 411623835 /nfs/dbraw/zinc/62/38/35/411623835.db2.gz RYQAIZZALODLEH-LLVKDONJSA-N 1 2 241.338 3.196 20 0 BGADLO C[C@H]1CCCCN1c1[nH+]ccc2c(N)cccc21 ZINC000663318056 411623932 /nfs/dbraw/zinc/62/39/32/411623932.db2.gz RYQAIZZALODLEH-NSHDSACASA-N 1 2 241.338 3.196 20 0 BGADLO CC(C)c1cccc(C[NH2+]CC(F)F)c1 ZINC000663324106 411625296 /nfs/dbraw/zinc/62/52/96/411625296.db2.gz XNRDMLUUKQUOTO-UHFFFAOYSA-N 1 2 213.271 3.165 20 0 BGADLO CC1(C)C[C@]1([NH2+]Cc1cocn1)c1ccccc1 ZINC000663337950 411629671 /nfs/dbraw/zinc/62/96/71/411629671.db2.gz LYTMOOZECYVDJX-HNNXBMFYSA-N 1 2 242.322 3.090 20 0 BGADLO CC1(C)C[C@@]1([NH2+]Cc1cocn1)c1ccccc1 ZINC000663337951 411630017 /nfs/dbraw/zinc/63/00/17/411630017.db2.gz LYTMOOZECYVDJX-OAHLLOKOSA-N 1 2 242.322 3.090 20 0 BGADLO CCC[C@@H](C)N(C)c1[nH+]ccc2c(N)cccc21 ZINC000663387925 411645620 /nfs/dbraw/zinc/64/56/20/411645620.db2.gz PSQIEVSKYUCPQP-LLVKDONJSA-N 1 2 243.354 3.442 20 0 BGADLO CCC[C@H](C)N(C)c1[nH+]ccc2c(N)cccc21 ZINC000663387926 411645350 /nfs/dbraw/zinc/64/53/50/411645350.db2.gz PSQIEVSKYUCPQP-NSHDSACASA-N 1 2 243.354 3.442 20 0 BGADLO CC(C)[C@@H](C)N(C)c1[nH+]ccc2c(N)cccc21 ZINC000663429927 411658595 /nfs/dbraw/zinc/65/85/95/411658595.db2.gz OPAKPAQDHYWGTH-LLVKDONJSA-N 1 2 243.354 3.298 20 0 BGADLO CC(C)[C@H](C)N(C)c1[nH+]ccc2c(N)cccc21 ZINC000663429928 411657554 /nfs/dbraw/zinc/65/75/54/411657554.db2.gz OPAKPAQDHYWGTH-NSHDSACASA-N 1 2 243.354 3.298 20 0 BGADLO FC(F)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000663464600 411664746 /nfs/dbraw/zinc/66/47/46/411664746.db2.gz PSQCZOUJMGJASU-GBVBUYCNSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000663464600 411664744 /nfs/dbraw/zinc/66/47/44/411664744.db2.gz PSQCZOUJMGJASU-GBVBUYCNSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC000663464601 411665573 /nfs/dbraw/zinc/66/55/73/411665573.db2.gz PSQCZOUJMGJASU-UKOWJOKBSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000663464601 411665571 /nfs/dbraw/zinc/66/55/71/411665571.db2.gz PSQCZOUJMGJASU-UKOWJOKBSA-N 1 2 237.293 3.429 20 0 BGADLO C[C@@H]1C[C@@H](C)N(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663651497 411714221 /nfs/dbraw/zinc/71/42/21/411714221.db2.gz YZHULPAWZBRRDV-GHMZBOCLSA-N 1 2 241.338 3.052 20 0 BGADLO C[C@@H]1C[C@H](C)N(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663651498 411713775 /nfs/dbraw/zinc/71/37/75/411713775.db2.gz YZHULPAWZBRRDV-MNOVXSKESA-N 1 2 241.338 3.052 20 0 BGADLO C[C@H]1C[C@H](C)N(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663651499 488077144 /nfs/dbraw/zinc/07/71/44/488077144.db2.gz YZHULPAWZBRRDV-QWRGUYRKSA-N 1 2 241.338 3.052 20 0 BGADLO C[C@@H]1C[C@H](C)CN1c1[nH+]ccc2c(N)cccc21 ZINC000663651505 488076840 /nfs/dbraw/zinc/07/68/40/488076840.db2.gz YZHULPAWZBRRDV-WDEREUQCSA-N 1 2 241.338 3.052 20 0 BGADLO CC1(C)CCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663671901 411718036 /nfs/dbraw/zinc/71/80/36/411718036.db2.gz UYXNESDSVNUKAW-UHFFFAOYSA-N 1 2 241.338 3.053 20 0 BGADLO CCCN(CC)c1[nH+]ccc2c(N)cccc21 ZINC000663684173 411722878 /nfs/dbraw/zinc/72/28/78/411722878.db2.gz SBKLFULPFSIIRC-UHFFFAOYSA-N 1 2 229.327 3.053 20 0 BGADLO C[C@@H]1CCN(c2[nH+]ccc3c(N)cccc32)[C@@H]1C ZINC000663689077 411722826 /nfs/dbraw/zinc/72/28/26/411722826.db2.gz NOIXNMOKYRBBSZ-GHMZBOCLSA-N 1 2 241.338 3.052 20 0 BGADLO C[C@@H]1CCN(c2[nH+]ccc3c(N)cccc32)[C@H]1C ZINC000663689079 411723178 /nfs/dbraw/zinc/72/31/78/411723178.db2.gz NOIXNMOKYRBBSZ-MNOVXSKESA-N 1 2 241.338 3.052 20 0 BGADLO C[C@H]1CCN(c2[nH+]ccc3c(N)cccc32)[C@H]1C ZINC000663689083 411722903 /nfs/dbraw/zinc/72/29/03/411722903.db2.gz NOIXNMOKYRBBSZ-QWRGUYRKSA-N 1 2 241.338 3.052 20 0 BGADLO C[C@@H]1[C@@H](C)CCN1c1[nH+]ccc2c(N)cccc21 ZINC000663689085 411723121 /nfs/dbraw/zinc/72/31/21/411723121.db2.gz NOIXNMOKYRBBSZ-WDEREUQCSA-N 1 2 241.338 3.052 20 0 BGADLO CC[C@@H]1CCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663707431 411726926 /nfs/dbraw/zinc/72/69/26/411726926.db2.gz CXOHRSMKHYRZNU-LLVKDONJSA-N 1 2 241.338 3.053 20 0 BGADLO CC[C@H]1CCN(c2[nH+]ccc3c(N)cccc32)C1 ZINC000663707432 411727534 /nfs/dbraw/zinc/72/75/34/411727534.db2.gz CXOHRSMKHYRZNU-NSHDSACASA-N 1 2 241.338 3.053 20 0 BGADLO C[C@@H]1CC[C@@H](C)N1c1[nH+]ccc2c(N)cccc21 ZINC000663711835 411729733 /nfs/dbraw/zinc/72/97/33/411729733.db2.gz FCDDBBHURWUCQP-GHMZBOCLSA-N 1 2 241.338 3.194 20 0 BGADLO C[C@@H]1CC[C@H](C)N1c1[nH+]ccc2c(N)cccc21 ZINC000663711836 411728849 /nfs/dbraw/zinc/72/88/49/411728849.db2.gz FCDDBBHURWUCQP-PHIMTYICSA-N 1 2 241.338 3.194 20 0 BGADLO C[C@H]1CC[C@H](C)N1c1[nH+]ccc2c(N)cccc21 ZINC000663711837 411729304 /nfs/dbraw/zinc/72/93/04/411729304.db2.gz FCDDBBHURWUCQP-QWRGUYRKSA-N 1 2 241.338 3.194 20 0 BGADLO CCCN(c1[nH+]ccc2c(N)cccc21)C1CC1 ZINC000663776598 411745218 /nfs/dbraw/zinc/74/52/18/411745218.db2.gz SCAHSTQVPZKMOR-UHFFFAOYSA-N 1 2 241.338 3.196 20 0 BGADLO Cc1nc(N2CCC[C@@]2(C)CC(C)C)cc[nH+]1 ZINC000663959089 411791729 /nfs/dbraw/zinc/79/17/29/411791729.db2.gz IJLDAIXFLVXDBT-AWEZNQCLSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1nc(N2CCC[C@]2(C)CC(C)C)cc[nH+]1 ZINC000663959170 411791073 /nfs/dbraw/zinc/79/10/73/411791073.db2.gz IJLDAIXFLVXDBT-CQSZACIVSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1cc(N2CCC[C@@]2(C)CC(C)C)nc[nH+]1 ZINC000663959420 411791153 /nfs/dbraw/zinc/79/11/53/411791153.db2.gz LJFCMALGDSKPGL-AWEZNQCLSA-N 1 2 233.359 3.190 20 0 BGADLO Cc1cc(N2CCC[C@]2(C)CC(C)C)nc[nH+]1 ZINC000663959421 411791036 /nfs/dbraw/zinc/79/10/36/411791036.db2.gz LJFCMALGDSKPGL-CQSZACIVSA-N 1 2 233.359 3.190 20 0 BGADLO CCC1(Nc2cc[nH+]c(C3CC3)n2)CCCC1 ZINC000663960120 411791697 /nfs/dbraw/zinc/79/16/97/411791697.db2.gz VSEQEEFCYREHSE-UHFFFAOYSA-N 1 2 231.343 3.489 20 0 BGADLO c1cn(-c2ccccc2OCC2CC=CC2)c[nH+]1 ZINC000663977981 411798068 /nfs/dbraw/zinc/79/80/68/411798068.db2.gz GFPAHWUIGYKNDC-UHFFFAOYSA-N 1 2 240.306 3.217 20 0 BGADLO c1cn(-c2cccc(OCC3CC=CC3)c2)c[nH+]1 ZINC000663978209 411798613 /nfs/dbraw/zinc/79/86/13/411798613.db2.gz AHIJZJWKGKLXIS-UHFFFAOYSA-N 1 2 240.306 3.217 20 0 BGADLO CCCOc1cccc(COc2cc[nH+]cc2)c1 ZINC000664014338 411812958 /nfs/dbraw/zinc/81/29/58/411812958.db2.gz AGLQYJKOWKDBPT-UHFFFAOYSA-N 1 2 243.306 3.449 20 0 BGADLO CC[C@@H](COc1cc[nH+]cc1)CC(F)F ZINC000664016522 411814249 /nfs/dbraw/zinc/81/42/49/411814249.db2.gz QGHAECFJPZYBAY-SECBINFHSA-N 1 2 215.243 3.142 20 0 BGADLO CC[C@H](COc1cc[nH+]cc1)CC(F)F ZINC000664016523 411814870 /nfs/dbraw/zinc/81/48/70/411814870.db2.gz QGHAECFJPZYBAY-VIFPVBQESA-N 1 2 215.243 3.142 20 0 BGADLO c1cc(OCC23CCC(CC2)C3)cc[nH+]1 ZINC000664016852 411814807 /nfs/dbraw/zinc/81/48/07/411814807.db2.gz SNFRLISODCKVRB-UHFFFAOYSA-N 1 2 203.285 3.041 20 0 BGADLO CO[C@@H](COc1cc[nH+]cc1)C1CCCCC1 ZINC000664017285 411815712 /nfs/dbraw/zinc/81/57/12/411815712.db2.gz XTSFNPHKFKGIDJ-AWEZNQCLSA-N 1 2 235.327 3.056 20 0 BGADLO CO[C@H](COc1cc[nH+]cc1)C1CCCCC1 ZINC000664017287 411816048 /nfs/dbraw/zinc/81/60/48/411816048.db2.gz XTSFNPHKFKGIDJ-CQSZACIVSA-N 1 2 235.327 3.056 20 0 BGADLO CCc1[nH+]c(C)ccc1OC[C@H](OC)C1CCC1 ZINC000664020084 410433339 /nfs/dbraw/zinc/43/33/39/410433339.db2.gz QCPZRZMGIZVDNY-HNNXBMFYSA-N 1 2 249.354 3.146 20 0 BGADLO CCc1[nH+]c(C)ccc1OC[C@@H](OC)C1CCC1 ZINC000664020087 410433426 /nfs/dbraw/zinc/43/34/26/410433426.db2.gz QCPZRZMGIZVDNY-OAHLLOKOSA-N 1 2 249.354 3.146 20 0 BGADLO Cc1ccc(Cn2ccc(C(C)(C)C)n2)c(C)[nH+]1 ZINC000664045510 411826955 /nfs/dbraw/zinc/82/69/55/411826955.db2.gz YGKKLFLJQDRCPV-UHFFFAOYSA-N 1 2 243.354 3.241 20 0 BGADLO Cc1[nH+]c2cc(OCC3=CCCC3)ccc2n1C ZINC000664046383 410444131 /nfs/dbraw/zinc/44/41/31/410444131.db2.gz BTWAEBRSQPQLDK-UHFFFAOYSA-N 1 2 242.322 3.371 20 0 BGADLO Cc1[nH+]c2cc(OCC3CCC3)ccc2n1C ZINC000664046424 411827263 /nfs/dbraw/zinc/82/72/63/411827263.db2.gz DIDQPARAMYZSHX-UHFFFAOYSA-N 1 2 230.311 3.061 20 0 BGADLO Cc1[nH+]c2cc(OC3CCCC3)ccc2n1C ZINC000664046433 411827158 /nfs/dbraw/zinc/82/71/58/411827158.db2.gz DXBNFIGIOKVJLV-UHFFFAOYSA-N 1 2 230.311 3.203 20 0 BGADLO Cc1[nH+]c2cc(OCCC3CC3)ccc2n1C ZINC000664046589 411826703 /nfs/dbraw/zinc/82/67/03/411826703.db2.gz HUQWFGMBSSZWPS-UHFFFAOYSA-N 1 2 230.311 3.061 20 0 BGADLO Cc1[nH+]c2cc(OCCCCF)ccc2n1C ZINC000664046712 411827538 /nfs/dbraw/zinc/82/75/38/411827538.db2.gz NDKHHZROPKQRFM-UHFFFAOYSA-N 1 2 236.290 3.010 20 0 BGADLO CC(C)=CCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000664046762 411827463 /nfs/dbraw/zinc/82/74/63/411827463.db2.gz OSOKUUBEEBDUCP-UHFFFAOYSA-N 1 2 230.311 3.227 20 0 BGADLO CCCCOc1ccc2c(c1)[nH+]c(C)n2C ZINC000664046999 411827281 /nfs/dbraw/zinc/82/72/81/411827281.db2.gz ULSSUXPSTYCHEF-UHFFFAOYSA-N 1 2 218.300 3.061 20 0 BGADLO Cc1[nH+]c2cc(OCC3CC=CC3)ccc2n1C ZINC000664047009 411827305 /nfs/dbraw/zinc/82/73/05/411827305.db2.gz UUGZCPQNJHMHHV-UHFFFAOYSA-N 1 2 242.322 3.227 20 0 BGADLO c1cc2[nH+]ccc(N3C[C@@H]4CCCC[C@@H]43)c2cn1 ZINC000664082290 411845022 /nfs/dbraw/zinc/84/50/22/411845022.db2.gz BZQCLWSKOWVHLN-FZMZJTMJSA-N 1 2 239.322 3.009 20 0 BGADLO Cc1cc(N2C[C@@H]3CCCC[C@@H]32)nc(C2CC2)[nH+]1 ZINC000664082860 411845321 /nfs/dbraw/zinc/84/53/21/411845321.db2.gz KTSVTBDTMKXPQH-STQMWFEESA-N 1 2 243.354 3.041 20 0 BGADLO Nc1[nH+]cccc1COc1cccc(C2CC2)c1 ZINC000664100118 411853746 /nfs/dbraw/zinc/85/37/46/411853746.db2.gz FJTZNAVDMBWQMQ-UHFFFAOYSA-N 1 2 240.306 3.120 20 0 BGADLO Cc1cc[nH+]cc1Cn1ncc(Cl)c1C1CC1 ZINC000664148534 411872789 /nfs/dbraw/zinc/87/27/89/411872789.db2.gz BFEGVOPGDVIHJV-UHFFFAOYSA-N 1 2 247.729 3.166 20 0 BGADLO Cc1[nH+]cccc1Cn1ncc(Cl)c1C1CC1 ZINC000664148610 411872539 /nfs/dbraw/zinc/87/25/39/411872539.db2.gz CNHDBLMKIHYTJL-UHFFFAOYSA-N 1 2 247.729 3.166 20 0 BGADLO Cc1ccc(Cn2ncc(Cl)c2C2CC2)c[nH+]1 ZINC000664150122 411872960 /nfs/dbraw/zinc/87/29/60/411872960.db2.gz YGSUWFVXSWAGHI-UHFFFAOYSA-N 1 2 247.729 3.166 20 0 BGADLO Cc1cc(N[C@]23C[C@H]2CCC3)nc(C2CC2)[nH+]1 ZINC000664160098 410470185 /nfs/dbraw/zinc/47/01/85/410470185.db2.gz HYHCLHNHHMUDCB-BXUZGUMPSA-N 1 2 229.327 3.017 20 0 BGADLO Cc1cc(N[C@@]23C[C@@H]2CCC3)nc(C2CC2)[nH+]1 ZINC000664160103 410470321 /nfs/dbraw/zinc/47/03/21/410470321.db2.gz HYHCLHNHHMUDCB-FZMZJTMJSA-N 1 2 229.327 3.017 20 0 BGADLO Cc1nc(N[C@]23C[C@H]2CCC3)c2c([nH+]1)CCCC2 ZINC000664162192 410471422 /nfs/dbraw/zinc/47/14/22/410471422.db2.gz VLDKXUPFAQPJHQ-IAQYHMDHSA-N 1 2 243.354 3.018 20 0 BGADLO Cc1nc(N[C@@]23C[C@@H]2CCC3)c2c([nH+]1)CCCC2 ZINC000664162199 410471633 /nfs/dbraw/zinc/47/16/33/410471633.db2.gz VLDKXUPFAQPJHQ-NHYWBVRUSA-N 1 2 243.354 3.018 20 0 BGADLO CC(C)(C)c1nc(N[C@@]23C[C@@H]2CCC3)cc[nH+]1 ZINC000664162667 410471476 /nfs/dbraw/zinc/47/14/76/410471476.db2.gz YFELFJFMCXWJIC-HZMBPMFUSA-N 1 2 231.343 3.129 20 0 BGADLO CC(C)(C)c1nc(N[C@]23C[C@H]2CCC3)cc[nH+]1 ZINC000664162669 410471618 /nfs/dbraw/zinc/47/16/18/410471618.db2.gz YFELFJFMCXWJIC-QMTHXVAHSA-N 1 2 231.343 3.129 20 0 BGADLO c1coc(C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000664178249 410509712 /nfs/dbraw/zinc/50/97/12/410509712.db2.gz QKACUKWVZZJYDY-UHFFFAOYSA-N 1 2 228.295 3.059 20 0 BGADLO CCC(O)(CC)C(C)(C)CNc1cccc[nH+]1 ZINC000664197218 411882605 /nfs/dbraw/zinc/88/26/05/411882605.db2.gz RWIDVIBMCRZKMH-UHFFFAOYSA-N 1 2 236.359 3.071 20 0 BGADLO Cc1cc(N2CCCC3(CCCC3)CC2)nc[nH+]1 ZINC000664199148 411886388 /nfs/dbraw/zinc/88/63/88/411886388.db2.gz ASRUFXJIFQLVCH-UHFFFAOYSA-N 1 2 245.370 3.336 20 0 BGADLO CCC(C)(C)[C@@H](C)Nc1cc[nH+]c(C)n1 ZINC000664203954 411887314 /nfs/dbraw/zinc/88/73/14/411887314.db2.gz BCSHWCZWQWNSIL-SECBINFHSA-N 1 2 207.321 3.022 20 0 BGADLO CCC(C)(C)[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000664203955 411887429 /nfs/dbraw/zinc/88/74/29/411887429.db2.gz BCSHWCZWQWNSIL-VIFPVBQESA-N 1 2 207.321 3.022 20 0 BGADLO CCC(C)(C)[C@H](C)Nc1cc(C)[nH+]cn1 ZINC000664207234 411887737 /nfs/dbraw/zinc/88/77/37/411887737.db2.gz XYEUMTSLSASBHW-JTQLQIEISA-N 1 2 207.321 3.022 20 0 BGADLO CCC(C)(C)[C@@H](C)Nc1cc(C)[nH+]cn1 ZINC000664207237 411887782 /nfs/dbraw/zinc/88/77/82/411887782.db2.gz XYEUMTSLSASBHW-SNVBAGLBSA-N 1 2 207.321 3.022 20 0 BGADLO Cc1nc(N2CCCC3(CCCC3)CC2)cc[nH+]1 ZINC000664207252 411887991 /nfs/dbraw/zinc/88/79/91/411887991.db2.gz YFVVRESVFIXFTG-UHFFFAOYSA-N 1 2 245.370 3.336 20 0 BGADLO CC[C@H](C)CCNc1cc[nH+]c(C2CC2)n1 ZINC000664229985 411891135 /nfs/dbraw/zinc/89/11/35/411891135.db2.gz JRJPJMULDUMDTD-JTQLQIEISA-N 1 2 219.332 3.202 20 0 BGADLO CC[C@@H](C)CCNc1cc[nH+]c(C2CC2)n1 ZINC000664229986 411890524 /nfs/dbraw/zinc/89/05/24/411890524.db2.gz JRJPJMULDUMDTD-SNVBAGLBSA-N 1 2 219.332 3.202 20 0 BGADLO c1ccc(N2CCC(C3CCC3)CC2)[nH+]c1 ZINC000664251334 411898422 /nfs/dbraw/zinc/89/84/22/411898422.db2.gz XGBDMWHXDZSHAF-UHFFFAOYSA-N 1 2 216.328 3.098 20 0 BGADLO CCO[C@H]1C[C@H](Nc2[nH+]ccc(C)c2Cl)C1 ZINC000664280021 411911504 /nfs/dbraw/zinc/91/15/04/411911504.db2.gz FCOUXZKTAHJTCC-MGCOHNPYSA-N 1 2 240.734 3.023 20 0 BGADLO CCO[C@H]1C[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000664281934 411911573 /nfs/dbraw/zinc/91/15/73/411911573.db2.gz WNHHMGPTISKVMH-JOCQHMNTSA-N 1 2 242.322 3.214 20 0 BGADLO C[C@H]1c2ccccc2C[C@H]1Nc1cccc[nH+]1 ZINC000664292051 411913727 /nfs/dbraw/zinc/91/37/27/411913727.db2.gz LQPUHRHXJHHNPF-SMDDNHRTSA-N 1 2 224.307 3.222 20 0 BGADLO Cc1cc(C)cc(CNc2cc[nH+]c(C)n2)c1 ZINC000664318891 411919697 /nfs/dbraw/zinc/91/96/97/411919697.db2.gz AYIFHDPOJHFCKC-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO CCc1cc(NCc2cc(C)cc(C)c2)nc[nH+]1 ZINC000664319871 411921667 /nfs/dbraw/zinc/92/16/67/411921667.db2.gz SEGNDXKXWVTDPS-UHFFFAOYSA-N 1 2 241.338 3.268 20 0 BGADLO Cc1cc(C)cc(CNc2cc(C)[nH+]cn2)c1 ZINC000664319941 411920825 /nfs/dbraw/zinc/92/08/25/411920825.db2.gz VOFAFYFORASKEO-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1cc(N2CC[C@H](C3CCCCC3)C2)nc[nH+]1 ZINC000664327502 411922828 /nfs/dbraw/zinc/92/28/28/411922828.db2.gz IDQCUTISDQMHMF-AWEZNQCLSA-N 1 2 245.370 3.192 20 0 BGADLO Cc1cc(N2CC[C@@H](C3CCCCC3)C2)nc[nH+]1 ZINC000664327503 411923159 /nfs/dbraw/zinc/92/31/59/411923159.db2.gz IDQCUTISDQMHMF-CQSZACIVSA-N 1 2 245.370 3.192 20 0 BGADLO Cc1nc(N2CC[C@H](C3CCCCC3)C2)cc[nH+]1 ZINC000664327811 411923317 /nfs/dbraw/zinc/92/33/17/411923317.db2.gz MQRSYLLQLWCNDU-AWEZNQCLSA-N 1 2 245.370 3.192 20 0 BGADLO Cc1nc(N2CC[C@@H](C3CCCCC3)C2)cc[nH+]1 ZINC000664327812 411923489 /nfs/dbraw/zinc/92/34/89/411923489.db2.gz MQRSYLLQLWCNDU-CQSZACIVSA-N 1 2 245.370 3.192 20 0 BGADLO CCc1cc(N[C@@H]2CCc3ccccc32)nc[nH+]1 ZINC000664363352 411931566 /nfs/dbraw/zinc/93/15/66/411931566.db2.gz FBVHSCQJYBYZNC-CQSZACIVSA-N 1 2 239.322 3.138 20 0 BGADLO Cc1cc(NCCC(C)(C)F)nc(C2CC2)[nH+]1 ZINC000664370369 410568807 /nfs/dbraw/zinc/56/88/07/410568807.db2.gz HBDAUDDWXSTMHM-UHFFFAOYSA-N 1 2 237.322 3.213 20 0 BGADLO CC(C)(F)CCNc1cc[nH+]c(C(C)(C)C)n1 ZINC000664371411 411933386 /nfs/dbraw/zinc/93/33/86/411933386.db2.gz SJZXVLFASKAFNS-UHFFFAOYSA-N 1 2 239.338 3.324 20 0 BGADLO c1ccc(O[C@H]2C[C@H](Nc3cccc[nH+]3)C2)cc1 ZINC000664372759 411932625 /nfs/dbraw/zinc/93/26/25/411932625.db2.gz IUILBBLVVKYTJX-MQMHXKEQSA-N 1 2 240.306 3.104 20 0 BGADLO Cc1cc[nH+]c(NCCc2ccoc2)c1Cl ZINC000664379088 411933848 /nfs/dbraw/zinc/93/38/48/411933848.db2.gz BWLYPNHCCGVEHH-UHFFFAOYSA-N 1 2 236.702 3.291 20 0 BGADLO CC(C)(C)c1nc(NCCc2ccoc2)cc[nH+]1 ZINC000664381078 411935436 /nfs/dbraw/zinc/93/54/36/411935436.db2.gz NPEBPZHLELPSHD-UHFFFAOYSA-N 1 2 245.326 3.022 20 0 BGADLO c1cc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)nc(C2CC2)[nH+]1 ZINC000664386524 411937500 /nfs/dbraw/zinc/93/75/00/411937500.db2.gz OZWFVCUKXQRPPM-AGIUHOORSA-N 1 2 243.354 3.202 20 0 BGADLO c1cc(NC[C@@H]2CCC[C@H]3C[C@H]32)nc(C2CC2)[nH+]1 ZINC000664386527 410572457 /nfs/dbraw/zinc/57/24/57/410572457.db2.gz OZWFVCUKXQRPPM-RWMBFGLXSA-N 1 2 243.354 3.202 20 0 BGADLO CCC1(CC)CCCN(c2cc[nH+]c(C)n2)C1 ZINC000664408033 411945597 /nfs/dbraw/zinc/94/55/97/411945597.db2.gz HXGUHAWEXOSURQ-UHFFFAOYSA-N 1 2 233.359 3.192 20 0 BGADLO CCC1(CC)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000664409002 411945559 /nfs/dbraw/zinc/94/55/59/411945559.db2.gz RRINECJRFNWYIV-UHFFFAOYSA-N 1 2 233.359 3.192 20 0 BGADLO FCC[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000664412960 411946049 /nfs/dbraw/zinc/94/60/49/411946049.db2.gz KQXLSYIXBPAWIT-LLVKDONJSA-N 1 2 247.317 3.139 20 0 BGADLO FCC[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000664412961 411946377 /nfs/dbraw/zinc/94/63/77/411946377.db2.gz KQXLSYIXBPAWIT-NSHDSACASA-N 1 2 247.317 3.139 20 0 BGADLO CC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC000664439830 411957659 /nfs/dbraw/zinc/95/76/59/411957659.db2.gz ZUXAVACQCVDJFP-GFCCVEGCSA-N 1 2 231.343 3.263 20 0 BGADLO CC[C@H](Nc1cc(C)[nH+]c(C2CC2)n1)C1CC1 ZINC000664439831 411957422 /nfs/dbraw/zinc/95/74/22/411957422.db2.gz ZUXAVACQCVDJFP-LBPRGKRZSA-N 1 2 231.343 3.263 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N(c2cccc[nH+]2)C1 ZINC000664469579 411967336 /nfs/dbraw/zinc/96/73/36/411967336.db2.gz LJZJRTMYMHJHMC-VXGBXAGGSA-N 1 2 204.317 3.097 20 0 BGADLO CC[C@@H]1CC[C@@H](C)N(c2cc[nH+]c(C3CC3)n2)C1 ZINC000664472001 487534168 /nfs/dbraw/zinc/53/41/68/487534168.db2.gz GVRRFQJLBNPEGZ-VXGBXAGGSA-N 1 2 245.370 3.369 20 0 BGADLO COc1ccccc1[C@@H]1C[C@H]1Nc1cccc[nH+]1 ZINC000664480877 411970381 /nfs/dbraw/zinc/97/03/81/411970381.db2.gz YUUPJVJFKMHECI-QWHCGFSZSA-N 1 2 240.306 3.058 20 0 BGADLO Cc1cc(N[C@@H]2CC[C@@H]2c2ccccc2)nc[nH+]1 ZINC000664485967 411970704 /nfs/dbraw/zinc/97/07/04/411970704.db2.gz BAUZMNUIKIYKFC-ZIAGYGMSSA-N 1 2 239.322 3.143 20 0 BGADLO c1ccc([C@H]2CC[C@H]2Nc2cccc[nH+]2)cc1 ZINC000664486222 411970371 /nfs/dbraw/zinc/97/03/71/411970371.db2.gz AXABFRXKVHYIHL-ZIAGYGMSSA-N 1 2 224.307 3.440 20 0 BGADLO Cc1nc(N[C@@H]2CC[C@@H]2c2ccccc2)cc[nH+]1 ZINC000664487533 411970539 /nfs/dbraw/zinc/97/05/39/411970539.db2.gz MFIOBGZLXRNZIR-ZIAGYGMSSA-N 1 2 239.322 3.143 20 0 BGADLO FC1(F)CC12CCC(Nc1cccc[nH+]1)CC2 ZINC000664493819 411972155 /nfs/dbraw/zinc/97/21/55/411972155.db2.gz GAENJIFECVMDQF-UHFFFAOYSA-N 1 2 238.281 3.462 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CC[C@H]2C[C@H]2C1 ZINC000664524297 487553071 /nfs/dbraw/zinc/55/30/71/487553071.db2.gz LHFRORYXHVHCHP-JSGCOSHPSA-N 1 2 238.334 3.389 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CC[C@@H]2C[C@@H]2C1 ZINC000664524299 410594647 /nfs/dbraw/zinc/59/46/47/410594647.db2.gz LHFRORYXHVHCHP-TZMCWYRMSA-N 1 2 238.334 3.389 20 0 BGADLO Fc1ccc2c(cc[nH+]c2N2CC[C@H]3C[C@H]3C2)c1 ZINC000664526821 411977481 /nfs/dbraw/zinc/97/74/81/411977481.db2.gz XUOZNFIWGDMWMU-JQWIXIFHSA-N 1 2 242.297 3.220 20 0 BGADLO Fc1ccc2c(cc[nH+]c2N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000664526823 411977657 /nfs/dbraw/zinc/97/76/57/411977657.db2.gz XUOZNFIWGDMWMU-ZYHUDNBSSA-N 1 2 242.297 3.220 20 0 BGADLO Fc1ccc2cc[nH+]c(N3CC[C@H]4C[C@H]4C3)c2c1 ZINC000664527279 487559399 /nfs/dbraw/zinc/55/93/99/487559399.db2.gz YVAOKBZLNGJHRS-RYUDHWBXSA-N 1 2 242.297 3.220 20 0 BGADLO Fc1ccc2cc[nH+]c(N3CC[C@@H]4C[C@@H]4C3)c2c1 ZINC000664527280 487559515 /nfs/dbraw/zinc/55/95/15/487559515.db2.gz YVAOKBZLNGJHRS-VXGBXAGGSA-N 1 2 242.297 3.220 20 0 BGADLO Cc1cc(N[C@@H](C)C2CCC(F)CC2)nc[nH+]1 ZINC000664536144 411980100 /nfs/dbraw/zinc/98/01/00/411980100.db2.gz UQVHQXTYJOSAQM-UNXYVOJBSA-N 1 2 237.322 3.114 20 0 BGADLO Cc1cc(N[C@H](C)C2CCC(F)CC2)nc[nH+]1 ZINC000664536145 411980646 /nfs/dbraw/zinc/98/06/46/411980646.db2.gz UQVHQXTYJOSAQM-VOMCLLRMSA-N 1 2 237.322 3.114 20 0 BGADLO C[C@H](Nc1cccc[nH+]1)C1CCC(F)CC1 ZINC000664538461 411980683 /nfs/dbraw/zinc/98/06/83/411980683.db2.gz DRLLNAQEBVAZFB-UNXYVOJBSA-N 1 2 222.307 3.410 20 0 BGADLO C[C@@H](Nc1cccc[nH+]1)C1CCC(F)CC1 ZINC000664538462 411980958 /nfs/dbraw/zinc/98/09/58/411980958.db2.gz DRLLNAQEBVAZFB-VOMCLLRMSA-N 1 2 222.307 3.410 20 0 BGADLO Cc1nc(N[C@@H](C)C2CCC(F)CC2)cc[nH+]1 ZINC000664540630 411980833 /nfs/dbraw/zinc/98/08/33/411980833.db2.gz ZTBZWZIFJZWUJJ-GCVQQVDUSA-N 1 2 237.322 3.114 20 0 BGADLO Cc1nc(N[C@H](C)C2CCC(F)CC2)cc[nH+]1 ZINC000664540631 411980207 /nfs/dbraw/zinc/98/02/07/411980207.db2.gz ZTBZWZIFJZWUJJ-OIKLOGQESA-N 1 2 237.322 3.114 20 0 BGADLO Cc1cc(NCC2=CCCC2)nc(C2CC2)[nH+]1 ZINC000664543271 411981576 /nfs/dbraw/zinc/98/15/76/411981576.db2.gz OXULXHNBKZZSBN-UHFFFAOYSA-N 1 2 229.327 3.185 20 0 BGADLO Cc1ccccc1CC1CN(c2cccc[nH+]2)C1 ZINC000664546308 411983578 /nfs/dbraw/zinc/98/35/78/411983578.db2.gz IEFNZIDUJQHRFG-UHFFFAOYSA-N 1 2 238.334 3.069 20 0 BGADLO CC(C)[C@@H](Nc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000664546489 411982860 /nfs/dbraw/zinc/98/28/60/411982860.db2.gz PNATVBZMGZVULZ-CYBMUJFWSA-N 1 2 231.343 3.201 20 0 BGADLO CC(C)[C@H](Nc1cc[nH+]c(C2CC2)n1)C1CC1 ZINC000664546490 411982626 /nfs/dbraw/zinc/98/26/26/411982626.db2.gz PNATVBZMGZVULZ-ZDUSSCGKSA-N 1 2 231.343 3.201 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@H](C(C)C)C2CC2)[nH+]1 ZINC000664546763 487570938 /nfs/dbraw/zinc/57/09/38/487570938.db2.gz RLNYDTRCAOGUIO-GFCCVEGCSA-N 1 2 244.342 3.113 20 0 BGADLO Cc1nc2[nH]ccc2c(N[C@@H](C(C)C)C2CC2)[nH+]1 ZINC000664546764 487570954 /nfs/dbraw/zinc/57/09/54/487570954.db2.gz RLNYDTRCAOGUIO-LBPRGKRZSA-N 1 2 244.342 3.113 20 0 BGADLO c1ccc(N2CCC[C@@H](C3CCC3)C2)[nH+]c1 ZINC000664565213 410602156 /nfs/dbraw/zinc/60/21/56/410602156.db2.gz OLZOVOVTAOVKDF-CYBMUJFWSA-N 1 2 216.328 3.098 20 0 BGADLO c1ccc(N2CCC[C@H](C3CCC3)C2)[nH+]c1 ZINC000664565214 410602251 /nfs/dbraw/zinc/60/22/51/410602251.db2.gz OLZOVOVTAOVKDF-ZDUSSCGKSA-N 1 2 216.328 3.098 20 0 BGADLO CO[C@H](CNc1cccc[nH+]1)C1CCCCC1 ZINC000664587946 410607845 /nfs/dbraw/zinc/60/78/45/410607845.db2.gz YQMPVKSUXOTNHA-CYBMUJFWSA-N 1 2 234.343 3.089 20 0 BGADLO CO[C@@H](CNc1cccc[nH+]1)C1CCCCC1 ZINC000664587947 410607561 /nfs/dbraw/zinc/60/75/61/410607561.db2.gz YQMPVKSUXOTNHA-ZDUSSCGKSA-N 1 2 234.343 3.089 20 0 BGADLO CC1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c(C2CC2)n1 ZINC000664592067 411993027 /nfs/dbraw/zinc/99/30/27/411993027.db2.gz CHCNSVVPTOLLRN-VGPLMAKISA-N 1 2 243.354 3.121 20 0 BGADLO CC1C[C@H]2CC[C@@H](C1)N2c1[nH]c2ccccc2[nH+]1 ZINC000664596504 411994252 /nfs/dbraw/zinc/99/42/52/411994252.db2.gz UBGGYAOLZPNYTB-YOGCLGLASA-N 1 2 241.338 3.330 20 0 BGADLO Cc1cc(N2CCCC[C@H]2CC2CCC2)nc[nH+]1 ZINC000664605707 411996386 /nfs/dbraw/zinc/99/63/86/411996386.db2.gz LZLYXVPNTXHBPQ-AWEZNQCLSA-N 1 2 245.370 3.334 20 0 BGADLO Cc1cc(N2CCCC[C@@H]2CC2CCC2)nc[nH+]1 ZINC000664605709 411996594 /nfs/dbraw/zinc/99/65/94/411996594.db2.gz LZLYXVPNTXHBPQ-CQSZACIVSA-N 1 2 245.370 3.334 20 0 BGADLO Cc1nc(N2CCCC[C@H]2CC2CCC2)cc[nH+]1 ZINC000664607472 411998658 /nfs/dbraw/zinc/99/86/58/411998658.db2.gz UXKPOLLRSKMZKU-AWEZNQCLSA-N 1 2 245.370 3.334 20 0 BGADLO Cc1nc(N2CCCC[C@@H]2CC2CCC2)cc[nH+]1 ZINC000664607473 411997674 /nfs/dbraw/zinc/99/76/74/411997674.db2.gz UXKPOLLRSKMZKU-CQSZACIVSA-N 1 2 245.370 3.334 20 0 BGADLO CCc1cc(NCC(F)(F)C(C)(C)C)nc[nH+]1 ZINC000664609966 411998681 /nfs/dbraw/zinc/99/86/81/411998681.db2.gz UOCCZOLDTOGEIW-UHFFFAOYSA-N 1 2 243.301 3.132 20 0 BGADLO CC(C)(C)C(F)(F)CNc1cccc[nH+]1 ZINC000664610016 411998614 /nfs/dbraw/zinc/99/86/14/411998614.db2.gz WRPCLKRMQFYJMT-UHFFFAOYSA-N 1 2 214.259 3.175 20 0 BGADLO CN(C[C@@H]1CCc2ccccc21)c1cccc[nH+]1 ZINC000664619776 412000131 /nfs/dbraw/zinc/00/01/31/412000131.db2.gz YEECTCMEFHPKEB-AWEZNQCLSA-N 1 2 238.334 3.248 20 0 BGADLO CN(C[C@H]1CCc2ccccc21)c1cccc[nH+]1 ZINC000664619777 411999859 /nfs/dbraw/zinc/99/98/59/411999859.db2.gz YEECTCMEFHPKEB-CQSZACIVSA-N 1 2 238.334 3.248 20 0 BGADLO Cc1cc(NC2CC(C)(C)C2)nc(C2CC2)[nH+]1 ZINC000664629788 412002016 /nfs/dbraw/zinc/00/20/16/412002016.db2.gz WDIFQVPTUDQZGF-UHFFFAOYSA-N 1 2 231.343 3.263 20 0 BGADLO c1ccc(C23CC(C2)CN3c2cccc[nH+]2)cc1 ZINC000664666238 541304008 /nfs/dbraw/zinc/30/40/08/541304008.db2.gz ADQCGLJJPSWDPC-UHFFFAOYSA-N 1 2 236.318 3.207 20 0 BGADLO CC12CC(C1)CN2c1[nH+]ccc2ccc(F)cc21 ZINC000664692746 412011050 /nfs/dbraw/zinc/01/10/50/412011050.db2.gz CBIQBBACMICRPR-UHFFFAOYSA-N 1 2 242.297 3.363 20 0 BGADLO CC12CC(C1)CN2c1cc(C(F)(F)F)cc[nH+]1 ZINC000664693403 412010719 /nfs/dbraw/zinc/01/07/19/412010719.db2.gz MCOUHVMKXCTGCI-UHFFFAOYSA-N 1 2 242.244 3.089 20 0 BGADLO CC(C)(CNc1cccc[nH+]1)CC(F)(F)F ZINC000664695313 412011595 /nfs/dbraw/zinc/01/15/95/412011595.db2.gz GKCUUSRBINQWCL-UHFFFAOYSA-N 1 2 232.249 3.472 20 0 BGADLO Cc1cc(NCC(C)(C)CC(F)(F)F)nc[nH+]1 ZINC000664697119 412011420 /nfs/dbraw/zinc/01/14/20/412011420.db2.gz QNILJTWSUSIWJR-UHFFFAOYSA-N 1 2 247.264 3.176 20 0 BGADLO CC12CC(C1)CN2c1[nH+]ccc2cc(F)ccc21 ZINC000664697492 412011526 /nfs/dbraw/zinc/01/15/26/412011526.db2.gz VRZCFTPSIHKQLM-UHFFFAOYSA-N 1 2 242.297 3.363 20 0 BGADLO Cc1nc(NCC(C)(C)CC(F)(F)F)cc[nH+]1 ZINC000664698501 412011326 /nfs/dbraw/zinc/01/13/26/412011326.db2.gz ZUSXULDVCWGAED-UHFFFAOYSA-N 1 2 247.264 3.176 20 0 BGADLO CCC/C=C/c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000664769091 412019864 /nfs/dbraw/zinc/01/98/64/412019864.db2.gz SZNJOIXHGRYULY-AATRIKPKSA-N 1 2 243.310 3.177 20 0 BGADLO CCC/C=C\c1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000664769092 412018469 /nfs/dbraw/zinc/01/84/69/412018469.db2.gz SZNJOIXHGRYULY-WAYWQWQTSA-N 1 2 243.310 3.177 20 0 BGADLO CCC(CC)c1noc(Cc2c[nH+]ccc2C)n1 ZINC000664787035 412021620 /nfs/dbraw/zinc/02/16/20/412021620.db2.gz ZRDRYVAVPQIKLK-UHFFFAOYSA-N 1 2 245.326 3.267 20 0 BGADLO c1n[nH]c2c1C[N@@H+](CC1CCCCCC1)CCC2 ZINC000664862618 412034973 /nfs/dbraw/zinc/03/49/73/412034973.db2.gz SDGJJXMAWRPJJD-UHFFFAOYSA-N 1 2 247.386 3.128 20 0 BGADLO c1n[nH]c2c1C[N@H+](CC1CCCCCC1)CCC2 ZINC000664862618 412034972 /nfs/dbraw/zinc/03/49/72/412034972.db2.gz SDGJJXMAWRPJJD-UHFFFAOYSA-N 1 2 247.386 3.128 20 0 BGADLO c1n[nH]c2c1C[N@@H+](CCC1CCCCC1)CCC2 ZINC000664862959 412035105 /nfs/dbraw/zinc/03/51/05/412035105.db2.gz YDKNPMSPUYCARU-UHFFFAOYSA-N 1 2 247.386 3.128 20 0 BGADLO c1n[nH]c2c1C[N@H+](CCC1CCCCC1)CCC2 ZINC000664862959 412035104 /nfs/dbraw/zinc/03/51/04/412035104.db2.gz YDKNPMSPUYCARU-UHFFFAOYSA-N 1 2 247.386 3.128 20 0 BGADLO CC/C=C(\C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664979297 412055957 /nfs/dbraw/zinc/05/59/57/412055957.db2.gz FBMNHTCMNWXNMD-VZUCSPMQSA-N 1 2 243.310 3.177 20 0 BGADLO CC/C=C(/C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664979298 412055340 /nfs/dbraw/zinc/05/53/40/412055340.db2.gz FBMNHTCMNWXNMD-WZUFQYTHSA-N 1 2 243.310 3.177 20 0 BGADLO CCCCCc1nc(Cc2c[nH+]ccc2C)no1 ZINC000664979502 412055620 /nfs/dbraw/zinc/05/56/20/412055620.db2.gz HAJBQCZMQBQZKB-UHFFFAOYSA-N 1 2 245.326 3.097 20 0 BGADLO CCC[C@@H](C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664979567 412055218 /nfs/dbraw/zinc/05/52/18/412055218.db2.gz CDPRWVSSAKRUIC-LLVKDONJSA-N 1 2 245.326 3.267 20 0 BGADLO CCC[C@H](C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664979568 412055594 /nfs/dbraw/zinc/05/55/94/412055594.db2.gz CDPRWVSSAKRUIC-NSHDSACASA-N 1 2 245.326 3.267 20 0 BGADLO Cc1cc[nH+]cc1Cc1noc(C2CCCC2)n1 ZINC000664979778 412055902 /nfs/dbraw/zinc/05/59/02/412055902.db2.gz JIANVIUDZZFZTK-UHFFFAOYSA-N 1 2 243.310 3.021 20 0 BGADLO CCC(CC)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664979968 412055072 /nfs/dbraw/zinc/05/50/72/412055072.db2.gz HSQYUNYHCVHCPA-UHFFFAOYSA-N 1 2 245.326 3.267 20 0 BGADLO CCC(C)(C)c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664980611 410661592 /nfs/dbraw/zinc/66/15/92/410661592.db2.gz OMCDWAJPDQJXOV-UHFFFAOYSA-N 1 2 245.326 3.051 20 0 BGADLO CCC/C=C/c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664984770 412056590 /nfs/dbraw/zinc/05/65/90/412056590.db2.gz QAJJRRJCIVLGPK-AATRIKPKSA-N 1 2 243.310 3.177 20 0 BGADLO CCC/C=C\c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664984771 412057226 /nfs/dbraw/zinc/05/72/26/412057226.db2.gz QAJJRRJCIVLGPK-WAYWQWQTSA-N 1 2 243.310 3.177 20 0 BGADLO CC/C(C)=C/c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664987116 412057039 /nfs/dbraw/zinc/05/70/39/412057039.db2.gz YWEYJIUBAQOZLQ-JXMROGBWSA-N 1 2 243.310 3.177 20 0 BGADLO CC/C(C)=C\c1nc(Cc2c[nH+]ccc2C)no1 ZINC000664987118 412056471 /nfs/dbraw/zinc/05/64/71/412056471.db2.gz YWEYJIUBAQOZLQ-YFHOEESVSA-N 1 2 243.310 3.177 20 0 BGADLO Oc1cccc(-c2ccc(N3CCCC3)[nH+]c2)c1 ZINC000665147621 412111616 /nfs/dbraw/zinc/11/16/16/412111616.db2.gz RCXOGZDWMBGWTD-UHFFFAOYSA-N 1 2 240.306 3.054 20 0 BGADLO C[C@@H](F)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000665181239 410712330 /nfs/dbraw/zinc/71/23/30/410712330.db2.gz MQASGHWGULQHKG-SECBINFHSA-N 1 2 204.248 3.118 20 0 BGADLO C[C@H](F)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000665181242 410712485 /nfs/dbraw/zinc/71/24/85/410712485.db2.gz MQASGHWGULQHKG-VIFPVBQESA-N 1 2 204.248 3.118 20 0 BGADLO C[C@H](c1cccc(-c2[nH+]ccn2C)c1)C(F)F ZINC000665181392 412122355 /nfs/dbraw/zinc/12/23/55/412122355.db2.gz PTROVQIZZXCZJV-SECBINFHSA-N 1 2 236.265 3.456 20 0 BGADLO C[C@@H](c1cccc(-c2[nH+]ccn2C)c1)C(F)F ZINC000665181393 412122274 /nfs/dbraw/zinc/12/22/74/412122274.db2.gz PTROVQIZZXCZJV-VIFPVBQESA-N 1 2 236.265 3.456 20 0 BGADLO Cc1ccc(NC(C)C)cc1-c1[nH+]ccn1C ZINC000665181418 412122115 /nfs/dbraw/zinc/12/21/15/412122115.db2.gz QZERYJRVSBCKFP-UHFFFAOYSA-N 1 2 229.327 3.216 20 0 BGADLO Cn1cc[nH+]c1-c1ccc(O)c(C(C)(C)C)c1 ZINC000665181680 412122406 /nfs/dbraw/zinc/12/24/06/412122406.db2.gz WUBUIFSVXWFWKL-UHFFFAOYSA-N 1 2 230.311 3.090 20 0 BGADLO Cc1cc(-c2ccc3c(c2)CCCO3)cc[nH+]1 ZINC000665185478 412123041 /nfs/dbraw/zinc/12/30/41/412123041.db2.gz YIIWJRGIQBIBLI-UHFFFAOYSA-N 1 2 225.291 3.382 20 0 BGADLO Cc1ccc(-c2c[nH+]cn2C)cc1C(F)(F)F ZINC000665221651 412162084 /nfs/dbraw/zinc/16/20/84/412162084.db2.gz KLQOJDLKDJLKGW-UHFFFAOYSA-N 1 2 240.228 3.414 20 0 BGADLO Cc1nc(N2CC[C@H](C3CCC3)C2)c(C)c(C)[nH+]1 ZINC000665755610 487766672 /nfs/dbraw/zinc/76/66/72/487766672.db2.gz GMHYQHULTGRDMR-AWEZNQCLSA-N 1 2 245.370 3.028 20 0 BGADLO Cc1nc(N2CC[C@@H](C3CCC3)C2)c(C)c(C)[nH+]1 ZINC000665755611 487766617 /nfs/dbraw/zinc/76/66/17/487766617.db2.gz GMHYQHULTGRDMR-CQSZACIVSA-N 1 2 245.370 3.028 20 0 BGADLO c1ccc2[nH+]c(N3CC[C@@H](C4CCC4)C3)[nH]c2c1 ZINC000665755778 487766653 /nfs/dbraw/zinc/76/66/53/487766653.db2.gz PTHQJDZFSHBPEV-GFCCVEGCSA-N 1 2 241.338 3.189 20 0 BGADLO c1ccc2[nH+]c(N3CC[C@H](C4CCC4)C3)[nH]c2c1 ZINC000665755779 487766307 /nfs/dbraw/zinc/76/63/07/487766307.db2.gz PTHQJDZFSHBPEV-LBPRGKRZSA-N 1 2 241.338 3.189 20 0 BGADLO CC[C@@H](NC(=O)Nc1ccc(C)[nH+]c1C)C1CC1 ZINC000666314761 487785352 /nfs/dbraw/zinc/78/53/52/487785352.db2.gz LSWPHDPLTILTOY-GFCCVEGCSA-N 1 2 247.342 3.009 20 0 BGADLO CC[C@H](NC(=O)Nc1ccc(C)[nH+]c1C)C1CC1 ZINC000666314763 487785674 /nfs/dbraw/zinc/78/56/74/487785674.db2.gz LSWPHDPLTILTOY-LBPRGKRZSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)N[C@@]2(C)CC2(C)C)c(C)[nH+]1 ZINC000666315144 487573376 /nfs/dbraw/zinc/57/33/76/487573376.db2.gz SRUCCAWVLSBQLK-AWEZNQCLSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)N[C@]2(C)CC2(C)C)c(C)[nH+]1 ZINC000666315145 487574041 /nfs/dbraw/zinc/57/40/41/487574041.db2.gz SRUCCAWVLSBQLK-CQSZACIVSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)NC2CC(C)(C)C2)c(C)[nH+]1 ZINC000666315201 487785520 /nfs/dbraw/zinc/78/55/20/487785520.db2.gz UMGBAFUOSQMUFC-UHFFFAOYSA-N 1 2 247.342 3.009 20 0 BGADLO CC[C@H](C)CCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000666315218 487785657 /nfs/dbraw/zinc/78/56/57/487785657.db2.gz UQYSSVYGLZUGTK-JTQLQIEISA-N 1 2 249.358 3.256 20 0 BGADLO CC[C@@H](C)CCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000666315219 487785800 /nfs/dbraw/zinc/78/58/00/487785800.db2.gz UQYSSVYGLZUGTK-SNVBAGLBSA-N 1 2 249.358 3.256 20 0 BGADLO Cc1occc1C[NH2+]C1(C(F)F)CCCC1 ZINC000666376770 487794911 /nfs/dbraw/zinc/79/49/11/487794911.db2.gz UEPORMQDEIJARV-UHFFFAOYSA-N 1 2 229.270 3.256 20 0 BGADLO c1csc(CNc2ccc3c(c2)CCC[NH2+]3)n1 ZINC000666789921 487880134 /nfs/dbraw/zinc/88/01/34/487880134.db2.gz VBCUQPDJIZPUOG-UHFFFAOYSA-N 1 2 245.351 3.113 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NC1CC(C)(C)C1 ZINC000667061157 487935654 /nfs/dbraw/zinc/93/56/54/487935654.db2.gz IOPRJKYASPTTMI-UHFFFAOYSA-N 1 2 247.342 3.009 20 0 BGADLO CC[C@@H](NC(=O)Nc1c(C)cc[nH+]c1C)C1CC1 ZINC000667061362 487935677 /nfs/dbraw/zinc/93/56/77/487935677.db2.gz NCYQSHPJFSDINZ-GFCCVEGCSA-N 1 2 247.342 3.009 20 0 BGADLO CC[C@H](NC(=O)Nc1c(C)cc[nH+]c1C)C1CC1 ZINC000667061363 487935785 /nfs/dbraw/zinc/93/57/85/487935785.db2.gz NCYQSHPJFSDINZ-LBPRGKRZSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@]1(C)CC1(C)C ZINC000667061706 487935860 /nfs/dbraw/zinc/93/58/60/487935860.db2.gz VABXMKSECVUSKI-AWEZNQCLSA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@]1(C)CC1(C)C ZINC000667061707 487935494 /nfs/dbraw/zinc/93/54/94/487935494.db2.gz VABXMKSECVUSKI-CQSZACIVSA-N 1 2 247.342 3.009 20 0 BGADLO CC[C@H](C)CCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000667063200 487935350 /nfs/dbraw/zinc/93/53/50/487935350.db2.gz ZYPLMSAKXJHJMK-JTQLQIEISA-N 1 2 249.358 3.256 20 0 BGADLO CC[C@@H](C)CCNC(=O)Nc1c(C)cc[nH+]c1C ZINC000667063201 487936458 /nfs/dbraw/zinc/93/64/58/487936458.db2.gz ZYPLMSAKXJHJMK-SNVBAGLBSA-N 1 2 249.358 3.256 20 0 BGADLO CCCn1nccc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000667499503 488029714 /nfs/dbraw/zinc/02/97/14/488029714.db2.gz MDAUYIJGIUBYHZ-GFCCVEGCSA-N 1 2 247.342 3.079 20 0 BGADLO CCCn1nccc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000667499503 488029707 /nfs/dbraw/zinc/02/97/07/488029707.db2.gz MDAUYIJGIUBYHZ-GFCCVEGCSA-N 1 2 247.342 3.079 20 0 BGADLO CCCn1nccc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000667499504 488030798 /nfs/dbraw/zinc/03/07/98/488030798.db2.gz MDAUYIJGIUBYHZ-LBPRGKRZSA-N 1 2 247.342 3.079 20 0 BGADLO CCCn1nccc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000667499504 488030794 /nfs/dbraw/zinc/03/07/94/488030794.db2.gz MDAUYIJGIUBYHZ-LBPRGKRZSA-N 1 2 247.342 3.079 20 0 BGADLO CC1=CC[N@@H+](Cc2ccc(F)c(F)c2F)CC1 ZINC000667650423 488072901 /nfs/dbraw/zinc/07/29/01/488072901.db2.gz XFVIZXUJDUWMAJ-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CC1=CC[N@H+](Cc2ccc(F)c(F)c2F)CC1 ZINC000667650423 488072897 /nfs/dbraw/zinc/07/28/97/488072897.db2.gz XFVIZXUJDUWMAJ-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CSc1ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000667907872 488153300 /nfs/dbraw/zinc/15/33/00/488153300.db2.gz AUAQCGRUPJYZGG-ADEWGFFLSA-N 1 2 234.368 3.404 20 0 BGADLO CSc1ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000667907873 488153417 /nfs/dbraw/zinc/15/34/17/488153417.db2.gz AUAQCGRUPJYZGG-USWWRNFRSA-N 1 2 234.368 3.404 20 0 BGADLO FC1=CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000667953149 488167270 /nfs/dbraw/zinc/16/72/70/488167270.db2.gz RTKIGCJZHMJMKG-UHFFFAOYSA-N 1 2 248.326 3.355 20 0 BGADLO FC1=CCC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000667953149 488167268 /nfs/dbraw/zinc/16/72/68/488167268.db2.gz RTKIGCJZHMJMKG-UHFFFAOYSA-N 1 2 248.326 3.355 20 0 BGADLO Cc1cnc(C[NH2+]Cc2cccc(C(C)C)c2)o1 ZINC000668027509 488189589 /nfs/dbraw/zinc/18/95/89/488189589.db2.gz KSZABZFEMWHARP-UHFFFAOYSA-N 1 2 244.338 3.396 20 0 BGADLO CC(C)C1C[NH+](Cc2ccc(F)c(F)c2F)C1 ZINC000668090147 487833152 /nfs/dbraw/zinc/83/31/52/487833152.db2.gz GSGMZKMOIRTFHU-UHFFFAOYSA-N 1 2 243.272 3.192 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(F)c(F)c1F ZINC000668090993 488201228 /nfs/dbraw/zinc/20/12/28/488201228.db2.gz XPEBPLRIMNQZLG-HTQZYQBOSA-N 1 2 229.245 3.087 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(F)c(F)c1F ZINC000668090994 488201372 /nfs/dbraw/zinc/20/13/72/488201372.db2.gz XPEBPLRIMNQZLG-OCAPTIKFSA-N 1 2 229.245 3.087 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(F)c(F)c1F ZINC000668090994 488201370 /nfs/dbraw/zinc/20/13/70/488201370.db2.gz XPEBPLRIMNQZLG-OCAPTIKFSA-N 1 2 229.245 3.087 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(F)c(F)c1F ZINC000668090995 488201319 /nfs/dbraw/zinc/20/13/19/488201319.db2.gz XPEBPLRIMNQZLG-YUMQZZPRSA-N 1 2 229.245 3.087 20 0 BGADLO CC1=CCC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000668100505 488203184 /nfs/dbraw/zinc/20/31/84/488203184.db2.gz OLFLUWQMOKIZPC-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CC1=CCC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000668100505 488203181 /nfs/dbraw/zinc/20/31/81/488203181.db2.gz OLFLUWQMOKIZPC-UHFFFAOYSA-N 1 2 241.256 3.256 20 0 BGADLO CC[C@@H]1CC[N@H+]1Cc1ccc(F)c(F)c1F ZINC000668189394 488217758 /nfs/dbraw/zinc/21/77/58/488217758.db2.gz CNTJARJMDVJMRR-SECBINFHSA-N 1 2 229.245 3.088 20 0 BGADLO CC[C@@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1F ZINC000668189394 488217756 /nfs/dbraw/zinc/21/77/56/488217756.db2.gz CNTJARJMDVJMRR-SECBINFHSA-N 1 2 229.245 3.088 20 0 BGADLO CC[C@H]1CC[N@H+]1Cc1ccc(F)c(F)c1F ZINC000668189395 488217800 /nfs/dbraw/zinc/21/78/00/488217800.db2.gz CNTJARJMDVJMRR-VIFPVBQESA-N 1 2 229.245 3.088 20 0 BGADLO CC[C@H]1CC[N@@H+]1Cc1ccc(F)c(F)c1F ZINC000668189395 488217798 /nfs/dbraw/zinc/21/77/98/488217798.db2.gz CNTJARJMDVJMRR-VIFPVBQESA-N 1 2 229.245 3.088 20 0 BGADLO Fc1ccc(C[N@H+]2CC[C@@H]2C2CC2)c(F)c1F ZINC000668209047 488225977 /nfs/dbraw/zinc/22/59/77/488225977.db2.gz RRLHJCINUFMRKO-LLVKDONJSA-N 1 2 241.256 3.088 20 0 BGADLO Fc1ccc(C[N@@H+]2CC[C@@H]2C2CC2)c(F)c1F ZINC000668209047 488225974 /nfs/dbraw/zinc/22/59/74/488225974.db2.gz RRLHJCINUFMRKO-LLVKDONJSA-N 1 2 241.256 3.088 20 0 BGADLO Fc1ccc(C[N@H+]2CC[C@H]2C2CC2)c(F)c1F ZINC000668209048 488225919 /nfs/dbraw/zinc/22/59/19/488225919.db2.gz RRLHJCINUFMRKO-NSHDSACASA-N 1 2 241.256 3.088 20 0 BGADLO Fc1ccc(C[N@@H+]2CC[C@H]2C2CC2)c(F)c1F ZINC000668209048 488225916 /nfs/dbraw/zinc/22/59/16/488225916.db2.gz RRLHJCINUFMRKO-NSHDSACASA-N 1 2 241.256 3.088 20 0 BGADLO CC(C)n1ccnc1C[NH+]1CC2(C1)CCCCC2 ZINC000668230883 487495039 /nfs/dbraw/zinc/49/50/39/487495039.db2.gz BXOJXQBQRBHLMH-UHFFFAOYSA-N 1 2 247.386 3.230 20 0 BGADLO CCC1(CC)C[NH+](Cc2nccn2C(C)C)C1 ZINC000668231244 487496737 /nfs/dbraw/zinc/49/67/37/487496737.db2.gz RXTPWMCXOCKDGT-UHFFFAOYSA-N 1 2 235.375 3.086 20 0 BGADLO CCC1(C)C[NH+](Cc2ccc(F)c(F)c2F)C1 ZINC000668233866 487508119 /nfs/dbraw/zinc/50/81/19/487508119.db2.gz QBHVVBHQXQINSH-UHFFFAOYSA-N 1 2 243.272 3.336 20 0 BGADLO CCOC1CCC(Nc2c[nH+]ccc2CC)CC1 ZINC000668288703 487627412 /nfs/dbraw/zinc/62/74/12/487627412.db2.gz DSKMAHORTACQOI-UHFFFAOYSA-N 1 2 248.370 3.404 20 0 BGADLO CCc1cc[nH+]cc1NC1CC(CF)(CF)C1 ZINC000668289100 487627427 /nfs/dbraw/zinc/62/74/27/487627427.db2.gz OQWDQHMRXNGKGW-UHFFFAOYSA-N 1 2 240.297 3.144 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCCSCC1 ZINC000668289144 487627619 /nfs/dbraw/zinc/62/76/19/487627619.db2.gz PSWUGYDBGOPWQK-GFCCVEGCSA-N 1 2 236.384 3.342 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCCSCC1 ZINC000668289145 487627514 /nfs/dbraw/zinc/62/75/14/487627514.db2.gz PSWUGYDBGOPWQK-LBPRGKRZSA-N 1 2 236.384 3.342 20 0 BGADLO Cc1cc(Cl)cc(C[N@@H+](C)Cc2c[nH]cn2)c1 ZINC000668421716 487725022 /nfs/dbraw/zinc/72/50/22/487725022.db2.gz CCYACKRPKGWQSH-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)cc(C[N@H+](C)Cc2c[nH]cn2)c1 ZINC000668421716 487725016 /nfs/dbraw/zinc/72/50/16/487725016.db2.gz CCYACKRPKGWQSH-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)cc(C[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000668421716 487725009 /nfs/dbraw/zinc/72/50/09/487725009.db2.gz CCYACKRPKGWQSH-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)cc(C[N@H+](C)Cc2cnc[nH]2)c1 ZINC000668421716 487725002 /nfs/dbraw/zinc/72/50/02/487725002.db2.gz CCYACKRPKGWQSH-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2c[nH]cn2)ccc1Cl ZINC000668421728 487725688 /nfs/dbraw/zinc/72/56/88/487725688.db2.gz CRDOMVAKZARCLW-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2c[nH]cn2)ccc1Cl ZINC000668421728 487725683 /nfs/dbraw/zinc/72/56/83/487725683.db2.gz CRDOMVAKZARCLW-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2cnc[nH]2)ccc1Cl ZINC000668421728 487725679 /nfs/dbraw/zinc/72/56/79/487725679.db2.gz CRDOMVAKZARCLW-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2cnc[nH]2)ccc1Cl ZINC000668421728 487725675 /nfs/dbraw/zinc/72/56/75/487725675.db2.gz CRDOMVAKZARCLW-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2c[nH]cn2)cc1Cl ZINC000668421887 487725372 /nfs/dbraw/zinc/72/53/72/487725372.db2.gz JYBUNZLKZNMDCM-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2c[nH]cn2)cc1Cl ZINC000668421887 487725367 /nfs/dbraw/zinc/72/53/67/487725367.db2.gz JYBUNZLKZNMDCM-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1Cl ZINC000668421887 487725362 /nfs/dbraw/zinc/72/53/62/487725362.db2.gz JYBUNZLKZNMDCM-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1Cl ZINC000668421887 487725360 /nfs/dbraw/zinc/72/53/60/487725360.db2.gz JYBUNZLKZNMDCM-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO c1[nH+]cc(NC2CCSCC2)c2c1CCCC2 ZINC000668440115 487757738 /nfs/dbraw/zinc/75/77/38/487757738.db2.gz IMROZEHGTXASCP-UHFFFAOYSA-N 1 2 248.395 3.268 20 0 BGADLO C[C@H]1CSC[C@@H]1Nc1c[nH+]cc2c1CCCC2 ZINC000668440547 487758946 /nfs/dbraw/zinc/75/89/46/487758946.db2.gz OGJPJZRIQXBUNH-HZMBPMFUSA-N 1 2 248.395 3.124 20 0 BGADLO C[C@H]1CSC[C@H]1Nc1c[nH+]cc2c1CCCC2 ZINC000668440551 487759271 /nfs/dbraw/zinc/75/92/71/487759271.db2.gz OGJPJZRIQXBUNH-IINYFYTJSA-N 1 2 248.395 3.124 20 0 BGADLO C[C@@H]1CSC[C@H]1Nc1c[nH+]cc2c1CCCC2 ZINC000668440553 487759055 /nfs/dbraw/zinc/75/90/55/487759055.db2.gz OGJPJZRIQXBUNH-QMTHXVAHSA-N 1 2 248.395 3.124 20 0 BGADLO C[C@@H]1CSC[C@@H]1Nc1c[nH+]cc2c1CCCC2 ZINC000668440554 487759208 /nfs/dbraw/zinc/75/92/08/487759208.db2.gz OGJPJZRIQXBUNH-YGRLFVJLSA-N 1 2 248.395 3.124 20 0 BGADLO COC[C@@H](C)C[NH2+]c1cc(C)c(C)cc1OC ZINC000668477296 490278879 /nfs/dbraw/zinc/27/88/79/490278879.db2.gz ARQXATACHONFHT-JTQLQIEISA-N 1 2 237.343 3.006 20 0 BGADLO COC[C@H](C)C[NH2+]c1cc(C)c(C)cc1OC ZINC000668477297 490278851 /nfs/dbraw/zinc/27/88/51/490278851.db2.gz ARQXATACHONFHT-SNVBAGLBSA-N 1 2 237.343 3.006 20 0 BGADLO Cc1[nH]ncc1C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000668479551 487807807 /nfs/dbraw/zinc/80/78/07/487807807.db2.gz ZMYMAERWGNOQNA-UHFFFAOYSA-N 1 2 247.386 3.264 20 0 BGADLO CCC(CC)CCC[N@@H+](C)Cc1cn[nH]c1C ZINC000668713375 488155644 /nfs/dbraw/zinc/15/56/44/488155644.db2.gz OERHJJDQRCDTLY-UHFFFAOYSA-N 1 2 237.391 3.366 20 0 BGADLO CCC(CC)CCC[N@H+](C)Cc1cn[nH]c1C ZINC000668713375 488155639 /nfs/dbraw/zinc/15/56/39/488155639.db2.gz OERHJJDQRCDTLY-UHFFFAOYSA-N 1 2 237.391 3.366 20 0 BGADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccc(O)cc1 ZINC000668747500 487473257 /nfs/dbraw/zinc/47/32/57/487473257.db2.gz GZTFETGFUZJGKE-UHFFFAOYSA-N 1 2 243.297 3.163 20 0 BGADLO CC(C)C(C[N@H+]1CCCc2[nH]ncc2C1)C(C)C ZINC000668841025 487633236 /nfs/dbraw/zinc/63/32/36/487633236.db2.gz HALMOZUCLOUTSC-UHFFFAOYSA-N 1 2 249.402 3.086 20 0 BGADLO CC(C)C(C[N@@H+]1CCCc2[nH]ncc2C1)C(C)C ZINC000668841025 487633233 /nfs/dbraw/zinc/63/32/33/487633233.db2.gz HALMOZUCLOUTSC-UHFFFAOYSA-N 1 2 249.402 3.086 20 0 BGADLO CC(C)(C)c1coc(C[NH2+]Cc2ccccc2)n1 ZINC000669381880 537998026 /nfs/dbraw/zinc/99/80/26/537998026.db2.gz YTSQAXIPPCOVSO-UHFFFAOYSA-N 1 2 244.338 3.262 20 0 BGADLO CCn1c[nH+]cc1CNc1ccc(C2CC2)cc1 ZINC000669548862 488205746 /nfs/dbraw/zinc/20/57/46/488205746.db2.gz QBBOXULQUJQIHP-UHFFFAOYSA-N 1 2 241.338 3.393 20 0 BGADLO CCCC[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669651766 488155969 /nfs/dbraw/zinc/15/59/69/488155969.db2.gz XEBUPQIBMAFRAU-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CCCC[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000669651767 488155991 /nfs/dbraw/zinc/15/59/91/488155991.db2.gz XEBUPQIBMAFRAU-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO FC(F)C1([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000669686627 487648366 /nfs/dbraw/zinc/64/83/66/487648366.db2.gz FUDCCNABQWMZSZ-UHFFFAOYSA-N 1 2 236.265 3.055 20 0 BGADLO FC(F)C1([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000669686721 487648299 /nfs/dbraw/zinc/64/82/99/487648299.db2.gz SEFCDMZUFWLWDN-UHFFFAOYSA-N 1 2 248.276 3.122 20 0 BGADLO FC(F)C1([NH2+]Cc2ccccc2C2CC2)CC1 ZINC000669686722 487648332 /nfs/dbraw/zinc/64/83/32/487648332.db2.gz SUQIYWFOTLDYKY-UHFFFAOYSA-N 1 2 237.293 3.451 20 0 BGADLO CC(C)(C)OCCC[N@H+]1CCCC[C@@H]1C(F)F ZINC000669696500 487689864 /nfs/dbraw/zinc/68/98/64/487689864.db2.gz MVQGSJJVPRMRFO-LLVKDONJSA-N 1 2 249.345 3.311 20 0 BGADLO CC(C)(C)OCCC[N@@H+]1CCCC[C@@H]1C(F)F ZINC000669696500 487689859 /nfs/dbraw/zinc/68/98/59/487689859.db2.gz MVQGSJJVPRMRFO-LLVKDONJSA-N 1 2 249.345 3.311 20 0 BGADLO CC(C)(C)OCCC[N@H+]1CCCC[C@H]1C(F)F ZINC000669696501 487689959 /nfs/dbraw/zinc/68/99/59/487689959.db2.gz MVQGSJJVPRMRFO-NSHDSACASA-N 1 2 249.345 3.311 20 0 BGADLO CC(C)(C)OCCC[N@@H+]1CCCC[C@H]1C(F)F ZINC000669696501 487689958 /nfs/dbraw/zinc/68/99/58/487689958.db2.gz MVQGSJJVPRMRFO-NSHDSACASA-N 1 2 249.345 3.311 20 0 BGADLO COc1ccc(N[C@@H]2CCC[C@@H]3C[C@@]32C)[nH+]c1 ZINC000669702868 487699810 /nfs/dbraw/zinc/69/98/10/487699810.db2.gz JGOSKUONKJXVHF-QKCSRTOESA-N 1 2 232.327 3.081 20 0 BGADLO COc1ccc(N[C@@H]2CCC[C@H]3C[C@]32C)[nH+]c1 ZINC000669702870 487700345 /nfs/dbraw/zinc/70/03/45/487700345.db2.gz JGOSKUONKJXVHF-ZKYQVNSYSA-N 1 2 232.327 3.081 20 0 BGADLO COc1ccc(N[C@@H](C)c2cc(C)c(C)o2)[nH+]c1 ZINC000669702889 487699819 /nfs/dbraw/zinc/69/98/19/487699819.db2.gz OLJBGCWOVAQUHZ-JTQLQIEISA-N 1 2 246.310 3.473 20 0 BGADLO COc1ccc(N[C@H](C)c2cc(C)c(C)o2)[nH+]c1 ZINC000669702890 487699826 /nfs/dbraw/zinc/69/98/26/487699826.db2.gz OLJBGCWOVAQUHZ-SNVBAGLBSA-N 1 2 246.310 3.473 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]C2(C(F)F)CC2)c(C)n1 ZINC000669706373 487706021 /nfs/dbraw/zinc/70/60/21/487706021.db2.gz ZETZTLXJSTXMLR-JTQLQIEISA-N 1 2 240.297 3.147 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]C2(C(F)F)CC2)c(C)n1 ZINC000669706374 487706267 /nfs/dbraw/zinc/70/62/67/487706267.db2.gz ZETZTLXJSTXMLR-SNVBAGLBSA-N 1 2 240.297 3.147 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@H](C)c2cnccc2C)no1 ZINC000669706492 487706258 /nfs/dbraw/zinc/70/62/58/487706258.db2.gz XNPNBKARIVHCDL-NEPJUHHUSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cnccc2C)no1 ZINC000669706493 487706350 /nfs/dbraw/zinc/70/63/50/487706350.db2.gz XNPNBKARIVHCDL-NWDGAFQWSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cnccc2C)no1 ZINC000669706494 487706308 /nfs/dbraw/zinc/70/63/08/487706308.db2.gz XNPNBKARIVHCDL-RYUDHWBXSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cnccc2C)no1 ZINC000669706495 487706439 /nfs/dbraw/zinc/70/64/39/487706439.db2.gz XNPNBKARIVHCDL-VXGBXAGGSA-N 1 2 245.326 3.098 20 0 BGADLO COc1cccc(C[N@@H+](C)Cc2ccoc2)c1F ZINC000669707650 487710996 /nfs/dbraw/zinc/71/09/96/487710996.db2.gz AONSKSKIYQQGGA-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO COc1cccc(C[N@H+](C)Cc2ccoc2)c1F ZINC000669707650 487710990 /nfs/dbraw/zinc/71/09/90/487710990.db2.gz AONSKSKIYQQGGA-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO Oc1ccc(C[N@H+]2CCCC[C@@H]2C(F)F)cc1 ZINC000669716666 487570388 /nfs/dbraw/zinc/57/03/88/487570388.db2.gz KOUJOUNRMQZVNH-GFCCVEGCSA-N 1 2 241.281 3.012 20 0 BGADLO Oc1ccc(C[N@@H+]2CCCC[C@@H]2C(F)F)cc1 ZINC000669716666 487570387 /nfs/dbraw/zinc/57/03/87/487570387.db2.gz KOUJOUNRMQZVNH-GFCCVEGCSA-N 1 2 241.281 3.012 20 0 BGADLO Oc1ccc(C[N@H+]2CCCC[C@H]2C(F)F)cc1 ZINC000669716667 487570323 /nfs/dbraw/zinc/57/03/23/487570323.db2.gz KOUJOUNRMQZVNH-LBPRGKRZSA-N 1 2 241.281 3.012 20 0 BGADLO Oc1ccc(C[N@@H+]2CCCC[C@H]2C(F)F)cc1 ZINC000669716667 487570320 /nfs/dbraw/zinc/57/03/20/487570320.db2.gz KOUJOUNRMQZVNH-LBPRGKRZSA-N 1 2 241.281 3.012 20 0 BGADLO CCc1cc(NCC(C)(C)C(F)(F)F)nc[nH+]1 ZINC000669826606 487865987 /nfs/dbraw/zinc/86/59/87/487865987.db2.gz WMLJKFFUOAIIJR-UHFFFAOYSA-N 1 2 247.264 3.039 20 0 BGADLO COc1ccc(N[C@@H]2CC[C@@H]2C2CCC2)[nH+]c1 ZINC000669848721 487883660 /nfs/dbraw/zinc/88/36/60/487883660.db2.gz NQVWMTXVJJNJAG-CHWSQXEVSA-N 1 2 232.327 3.081 20 0 BGADLO COc1ccc(N[C@H]2CC[C@@H]2C2CCC2)[nH+]c1 ZINC000669848722 487884047 /nfs/dbraw/zinc/88/40/47/487884047.db2.gz NQVWMTXVJJNJAG-OLZOCXBDSA-N 1 2 232.327 3.081 20 0 BGADLO COc1ccc(N[C@@H]2CC[C@H]2C2CCC2)[nH+]c1 ZINC000669848723 487884101 /nfs/dbraw/zinc/88/41/01/487884101.db2.gz NQVWMTXVJJNJAG-QWHCGFSZSA-N 1 2 232.327 3.081 20 0 BGADLO COc1ccc(N[C@H]2CC[C@H]2C2CCC2)[nH+]c1 ZINC000669848724 487884189 /nfs/dbraw/zinc/88/41/89/487884189.db2.gz NQVWMTXVJJNJAG-STQMWFEESA-N 1 2 232.327 3.081 20 0 BGADLO C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccsc1 ZINC000669937458 487941480 /nfs/dbraw/zinc/94/14/80/487941480.db2.gz HPMFHVWQKZYDMC-SECBINFHSA-N 1 2 248.351 3.464 20 0 BGADLO C[C@H]([NH2+]Cc1ncc(C2CC2)o1)c1ccsc1 ZINC000669937459 487941897 /nfs/dbraw/zinc/94/18/97/487941897.db2.gz HPMFHVWQKZYDMC-VIFPVBQESA-N 1 2 248.351 3.464 20 0 BGADLO C[N@@H+](CC(F)F)C(C)(C)c1ccccc1 ZINC000671245353 487887719 /nfs/dbraw/zinc/88/77/19/487887719.db2.gz AJJUSWHMJULKPK-UHFFFAOYSA-N 1 2 213.271 3.119 20 0 BGADLO C[N@H+](CC(F)F)C(C)(C)c1ccccc1 ZINC000671245353 487887713 /nfs/dbraw/zinc/88/77/13/487887713.db2.gz AJJUSWHMJULKPK-UHFFFAOYSA-N 1 2 213.271 3.119 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671309271 487625526 /nfs/dbraw/zinc/62/55/26/487625526.db2.gz RBUSVUVQNXXYJO-UHFFFAOYSA-N 1 2 243.354 3.085 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671309271 487625523 /nfs/dbraw/zinc/62/55/23/487625523.db2.gz RBUSVUVQNXXYJO-UHFFFAOYSA-N 1 2 243.354 3.085 20 0 BGADLO Cc1cc(-n2cccn2)ccc1[NH2+]CCCCF ZINC000671657164 487674690 /nfs/dbraw/zinc/67/46/90/487674690.db2.gz KKMSEDAMSWBGNL-UHFFFAOYSA-N 1 2 247.317 3.342 20 0 BGADLO CC[C@@H](C)CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000671721065 487707174 /nfs/dbraw/zinc/70/71/74/487707174.db2.gz KPIYELXDMLPLLW-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CC[C@H](C)CCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000671721066 487707299 /nfs/dbraw/zinc/70/72/99/487707299.db2.gz KPIYELXDMLPLLW-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO Cc1cc(C(=O)Nc2ccc(C)[nH+]c2C)cs1 ZINC000671770646 487881882 /nfs/dbraw/zinc/88/18/82/487881882.db2.gz LONKTNWJUCZJDE-UHFFFAOYSA-N 1 2 246.335 3.321 20 0 BGADLO Clc1ccc(CNc2cc3cc[nH]c3c[nH+]2)o1 ZINC000672143209 488240275 /nfs/dbraw/zinc/24/02/75/488240275.db2.gz KLJPVDJIPOAAGZ-UHFFFAOYSA-N 1 2 247.685 3.421 20 0 BGADLO Cc1cccc(CNc2cc3cc[nH]c3c[nH+]2)c1 ZINC000672160238 488000465 /nfs/dbraw/zinc/00/04/65/488000465.db2.gz YIDPMKVHRBLJGZ-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO Fc1cccc(CNc2cc3cc[nH]c3c[nH+]2)c1 ZINC000672162203 488243212 /nfs/dbraw/zinc/24/32/12/488243212.db2.gz VLACMGNZOIFPRC-UHFFFAOYSA-N 1 2 241.269 3.314 20 0 BGADLO Cc1occc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000672185014 487923033 /nfs/dbraw/zinc/92/30/33/487923033.db2.gz FZPDTXGHYOAGNP-UHFFFAOYSA-N 1 2 227.267 3.076 20 0 BGADLO c1cc2cc(NC[C@@H]3CC=CCC3)[nH+]cc2[nH]1 ZINC000672190048 488243826 /nfs/dbraw/zinc/24/38/26/488243826.db2.gz UAEZAKSMIZRQRK-LLVKDONJSA-N 1 2 227.311 3.331 20 0 BGADLO c1cc2cc(NC[C@H]3CC=CCC3)[nH+]cc2[nH]1 ZINC000672190049 488243642 /nfs/dbraw/zinc/24/36/42/488243642.db2.gz UAEZAKSMIZRQRK-NSHDSACASA-N 1 2 227.311 3.331 20 0 BGADLO c1cc2cc(NCC3CCSCC3)[nH+]cc2[nH]1 ZINC000672216371 490099208 /nfs/dbraw/zinc/09/92/08/490099208.db2.gz RHGGOJONVSMJFC-UHFFFAOYSA-N 1 2 247.367 3.118 20 0 BGADLO CC[C@@H](Nc1ccc(OC)c[nH+]1)c1ccncc1 ZINC000672221895 488246039 /nfs/dbraw/zinc/24/60/39/488246039.db2.gz HARZEKYKYWJNLB-CYBMUJFWSA-N 1 2 243.310 3.048 20 0 BGADLO CC[C@H](Nc1ccc(OC)c[nH+]1)c1ccncc1 ZINC000672221896 488246044 /nfs/dbraw/zinc/24/60/44/488246044.db2.gz HARZEKYKYWJNLB-ZDUSSCGKSA-N 1 2 243.310 3.048 20 0 BGADLO CCc1nc(N2C3CCCC2CCC3)cc(C)[nH+]1 ZINC000672224339 488246585 /nfs/dbraw/zinc/24/65/85/488246585.db2.gz QROVJNIYIYRKLT-UHFFFAOYSA-N 1 2 245.370 3.259 20 0 BGADLO CC(C)C1(CNc2cc3cc[nH]c3c[nH+]2)CC1 ZINC000672232892 488247163 /nfs/dbraw/zinc/24/71/63/488247163.db2.gz XPNOKPLJUUIWFK-UHFFFAOYSA-N 1 2 229.327 3.411 20 0 BGADLO C[C@]1(CNc2cc3cc[nH]c3c[nH+]2)CCCS1 ZINC000672236128 488246989 /nfs/dbraw/zinc/24/69/89/488246989.db2.gz SNLKOHYMVZKMEW-CYBMUJFWSA-N 1 2 247.367 3.261 20 0 BGADLO C[C@@]1(CNc2cc3cc[nH]c3c[nH+]2)CCCS1 ZINC000672236129 488247174 /nfs/dbraw/zinc/24/71/74/488247174.db2.gz SNLKOHYMVZKMEW-ZDUSSCGKSA-N 1 2 247.367 3.261 20 0 BGADLO FC(F)(F)c1cc[nH+]c(N2CCC3(CC3)C2)c1 ZINC000672274802 488249455 /nfs/dbraw/zinc/24/94/55/488249455.db2.gz BTXAIUWIDYJZSX-UHFFFAOYSA-N 1 2 242.244 3.091 20 0 BGADLO FC(F)(F)c1cc[nH+]c(N2CCC[C@@H]3C[C@@H]32)c1 ZINC000672323105 487906658 /nfs/dbraw/zinc/90/66/58/487906658.db2.gz XMQLSXBDOKKXBZ-SCZZXKLOSA-N 1 2 242.244 3.089 20 0 BGADLO FC(F)(F)c1cc[nH+]c(N2CCC[C@H]3C[C@H]32)c1 ZINC000672323106 487906679 /nfs/dbraw/zinc/90/66/79/487906679.db2.gz XMQLSXBDOKKXBZ-WCBMZHEXSA-N 1 2 242.244 3.089 20 0 BGADLO Fc1ccc2cc[nH+]c(N3CCC[C@@H]4C[C@@H]43)c2c1 ZINC000672323942 487920253 /nfs/dbraw/zinc/92/02/53/487920253.db2.gz XSSOKILGOXIQDF-RISCZKNCSA-N 1 2 242.297 3.363 20 0 BGADLO Fc1ccc2cc[nH+]c(N3CCC[C@H]4C[C@H]43)c2c1 ZINC000672323943 487920230 /nfs/dbraw/zinc/92/02/30/487920230.db2.gz XSSOKILGOXIQDF-SMDDNHRTSA-N 1 2 242.297 3.363 20 0 BGADLO c1ccc2[nH+]c(N3CCC4(CCC4)CC3)[nH]c2c1 ZINC000672329729 488251992 /nfs/dbraw/zinc/25/19/92/488251992.db2.gz CHENRWSRJMOCGJ-UHFFFAOYSA-N 1 2 241.338 3.333 20 0 BGADLO Cc1nc(N2CCC3(CCC3)CC2)c(C)c(C)[nH+]1 ZINC000672329865 488252111 /nfs/dbraw/zinc/25/21/11/488252111.db2.gz BMKHHYLQFGCODL-UHFFFAOYSA-N 1 2 245.370 3.172 20 0 BGADLO c1cc(N2CCC3(CCC3)CC2)nc(C2CC2)[nH+]1 ZINC000672329938 488252054 /nfs/dbraw/zinc/25/20/54/488252054.db2.gz QZIWAOUZQVVFLP-UHFFFAOYSA-N 1 2 243.354 3.125 20 0 BGADLO COc1ccc2[nH+]c(N[C@H]3CC[C@@H]3C)ccc2c1 ZINC000672338334 488074464 /nfs/dbraw/zinc/07/44/64/488074464.db2.gz OYNIQTRPXYLZMR-GWCFXTLKSA-N 1 2 242.322 3.454 20 0 BGADLO COc1ccc2[nH+]c(N[C@@H]3CC[C@@H]3C)ccc2c1 ZINC000672338335 488074470 /nfs/dbraw/zinc/07/44/70/488074470.db2.gz OYNIQTRPXYLZMR-GXFFZTMASA-N 1 2 242.322 3.454 20 0 BGADLO COc1ccc2[nH+]c(N[C@H]3CC[C@H]3C)ccc2c1 ZINC000672338336 488074459 /nfs/dbraw/zinc/07/44/59/488074459.db2.gz OYNIQTRPXYLZMR-MFKMUULPSA-N 1 2 242.322 3.454 20 0 BGADLO COc1ccc2[nH+]c(N[C@@H]3CC[C@H]3C)ccc2c1 ZINC000672338337 488074453 /nfs/dbraw/zinc/07/44/53/488074453.db2.gz OYNIQTRPXYLZMR-ZWNOBZJWSA-N 1 2 242.322 3.454 20 0 BGADLO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CC(F)F ZINC000672578471 488261002 /nfs/dbraw/zinc/26/10/02/488261002.db2.gz NASCOQSFNJSCCX-NXEZZACHSA-N 1 2 219.319 3.398 20 0 BGADLO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CC(F)F ZINC000672578471 488261000 /nfs/dbraw/zinc/26/10/00/488261000.db2.gz NASCOQSFNJSCCX-NXEZZACHSA-N 1 2 219.319 3.398 20 0 BGADLO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CC(F)F ZINC000672578472 488261038 /nfs/dbraw/zinc/26/10/38/488261038.db2.gz NASCOQSFNJSCCX-UWVGGRQHSA-N 1 2 219.319 3.398 20 0 BGADLO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CC(F)F ZINC000672578472 488261035 /nfs/dbraw/zinc/26/10/35/488261035.db2.gz NASCOQSFNJSCCX-UWVGGRQHSA-N 1 2 219.319 3.398 20 0 BGADLO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CC(F)F ZINC000672578473 488260674 /nfs/dbraw/zinc/26/06/74/488260674.db2.gz NASCOQSFNJSCCX-VHSXEESVSA-N 1 2 219.319 3.398 20 0 BGADLO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CC(F)F ZINC000672578473 488260673 /nfs/dbraw/zinc/26/06/73/488260673.db2.gz NASCOQSFNJSCCX-VHSXEESVSA-N 1 2 219.319 3.398 20 0 BGADLO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CC(F)F ZINC000672578474 488261010 /nfs/dbraw/zinc/26/10/10/488261010.db2.gz NASCOQSFNJSCCX-ZJUUUORDSA-N 1 2 219.319 3.398 20 0 BGADLO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CC(F)F ZINC000672578474 488261007 /nfs/dbraw/zinc/26/10/07/488261007.db2.gz NASCOQSFNJSCCX-ZJUUUORDSA-N 1 2 219.319 3.398 20 0 BGADLO COc1ccc(N[C@H]2CC[C@H]2C(C)(C)C)[nH+]c1 ZINC000672606888 488261973 /nfs/dbraw/zinc/26/19/73/488261973.db2.gz QAPZAVWIMAXDKP-NEPJUHHUSA-N 1 2 234.343 3.327 20 0 BGADLO COc1ccc(N[C@@H]2CC[C@@H]2C(C)(C)C)[nH+]c1 ZINC000672606889 488262002 /nfs/dbraw/zinc/26/20/02/488262002.db2.gz QAPZAVWIMAXDKP-NWDGAFQWSA-N 1 2 234.343 3.327 20 0 BGADLO COc1ccc(N[C@H]2CC[C@@H]2C(C)(C)C)[nH+]c1 ZINC000672606890 488261667 /nfs/dbraw/zinc/26/16/67/488261667.db2.gz QAPZAVWIMAXDKP-RYUDHWBXSA-N 1 2 234.343 3.327 20 0 BGADLO COc1ccc(N[C@@H]2CC[C@H]2C(C)(C)C)[nH+]c1 ZINC000672606891 488261722 /nfs/dbraw/zinc/26/17/22/488261722.db2.gz QAPZAVWIMAXDKP-VXGBXAGGSA-N 1 2 234.343 3.327 20 0 BGADLO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000672621598 488066757 /nfs/dbraw/zinc/06/67/57/488066757.db2.gz BCPQMYYIRZXJKI-CMPLNLGQSA-N 1 2 240.297 3.228 20 0 BGADLO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000672621599 488066771 /nfs/dbraw/zinc/06/67/71/488066771.db2.gz BCPQMYYIRZXJKI-JQWIXIFHSA-N 1 2 240.297 3.228 20 0 BGADLO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000672621600 488066529 /nfs/dbraw/zinc/06/65/29/488066529.db2.gz BCPQMYYIRZXJKI-PWSUYJOCSA-N 1 2 240.297 3.228 20 0 BGADLO Cc1ccncc1[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000672621601 488066913 /nfs/dbraw/zinc/06/69/13/488066913.db2.gz BCPQMYYIRZXJKI-ZYHUDNBSSA-N 1 2 240.297 3.228 20 0 BGADLO Cc1cncc([C@H](C)[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000672622086 488071015 /nfs/dbraw/zinc/07/10/15/488071015.db2.gz RICAUZSKMQHODB-CMPLNLGQSA-N 1 2 240.297 3.228 20 0 BGADLO Cc1cncc([C@H](C)[NH2+][C@H]2CCCC2(F)F)c1 ZINC000672622087 488070926 /nfs/dbraw/zinc/07/09/26/488070926.db2.gz RICAUZSKMQHODB-JQWIXIFHSA-N 1 2 240.297 3.228 20 0 BGADLO Cc1cncc([C@@H](C)[NH2+][C@H]2CCCC2(F)F)c1 ZINC000672622088 488071138 /nfs/dbraw/zinc/07/11/38/488071138.db2.gz RICAUZSKMQHODB-PWSUYJOCSA-N 1 2 240.297 3.228 20 0 BGADLO Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCC2(F)F)c1 ZINC000672622089 488070930 /nfs/dbraw/zinc/07/09/30/488070930.db2.gz RICAUZSKMQHODB-ZYHUDNBSSA-N 1 2 240.297 3.228 20 0 BGADLO CCC[C@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000672760817 488265783 /nfs/dbraw/zinc/26/57/83/488265783.db2.gz RDMDUTFZWMAHIH-JTQLQIEISA-N 1 2 235.331 3.009 20 0 BGADLO CCC[C@@H](C)NC(=O)Nc1c(C)cc[nH+]c1C ZINC000672760818 488265810 /nfs/dbraw/zinc/26/58/10/488265810.db2.gz RDMDUTFZWMAHIH-SNVBAGLBSA-N 1 2 235.331 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N(C)CCC(C)C ZINC000672762063 488265614 /nfs/dbraw/zinc/26/56/14/488265614.db2.gz PSLLCASTVQAILV-UHFFFAOYSA-N 1 2 249.358 3.208 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@@H](C)C1CCC1 ZINC000672765751 488265818 /nfs/dbraw/zinc/26/58/18/488265818.db2.gz LPBQDNUBAPZCBA-JTQLQIEISA-N 1 2 247.342 3.009 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)N[C@H](C)C1CCC1 ZINC000672765753 488265764 /nfs/dbraw/zinc/26/57/64/488265764.db2.gz LPBQDNUBAPZCBA-SNVBAGLBSA-N 1 2 247.342 3.009 20 0 BGADLO CC(C)CCSc1[nH+]cc2ccccn21 ZINC000673156743 488277867 /nfs/dbraw/zinc/27/78/67/488277867.db2.gz FLQSGZZQKKITKA-UHFFFAOYSA-N 1 2 220.341 3.473 20 0 BGADLO CCc1cc(NC2(C(F)F)CCCC2)nc[nH+]1 ZINC000673505934 488292064 /nfs/dbraw/zinc/29/20/64/488292064.db2.gz GCQVHRDHABTXOE-UHFFFAOYSA-N 1 2 241.285 3.029 20 0 BGADLO Cc1ccc2oc(C[NH2+]Cc3ccon3)cc2c1 ZINC000673885462 488311243 /nfs/dbraw/zinc/31/12/43/488311243.db2.gz GOLPSZFFXIDJRS-UHFFFAOYSA-N 1 2 242.278 3.019 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccon2)[C@H]1c1ccccc1 ZINC000674009164 487498021 /nfs/dbraw/zinc/49/80/21/487498021.db2.gz GPUZAZZDGSJSGG-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccon2)[C@H]1c1ccccc1 ZINC000674009164 487498016 /nfs/dbraw/zinc/49/80/16/487498016.db2.gz GPUZAZZDGSJSGG-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccon2)[C@@H]1c1ccccc1 ZINC000674009165 487498249 /nfs/dbraw/zinc/49/82/49/487498249.db2.gz GPUZAZZDGSJSGG-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccon2)[C@@H]1c1ccccc1 ZINC000674009165 487498242 /nfs/dbraw/zinc/49/82/42/487498242.db2.gz GPUZAZZDGSJSGG-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO Cc1cc(C[N@H+]2CC[C@H]2c2cccc(F)c2)on1 ZINC000674009766 487498401 /nfs/dbraw/zinc/49/84/01/487498401.db2.gz LIXFVFRSSILFQM-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1cc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)on1 ZINC000674009766 487498396 /nfs/dbraw/zinc/49/83/96/487498396.db2.gz LIXFVFRSSILFQM-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1cc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)on1 ZINC000674009767 487498740 /nfs/dbraw/zinc/49/87/40/487498740.db2.gz LIXFVFRSSILFQM-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1cc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)on1 ZINC000674009767 487498732 /nfs/dbraw/zinc/49/87/32/487498732.db2.gz LIXFVFRSSILFQM-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Fc1cccc([C@@H]2CC[N@H+]2Cc2cccnc2)c1 ZINC000674011575 487499768 /nfs/dbraw/zinc/49/97/68/487499768.db2.gz WIIBVOJHSPKVLB-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cccc([C@@H]2CC[N@@H+]2Cc2cccnc2)c1 ZINC000674011575 487499763 /nfs/dbraw/zinc/49/97/63/487499763.db2.gz WIIBVOJHSPKVLB-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cccc([C@H]2CC[N@H+]2Cc2cccnc2)c1 ZINC000674011576 487499675 /nfs/dbraw/zinc/49/96/75/487499675.db2.gz WIIBVOJHSPKVLB-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cccc([C@H]2CC[N@@H+]2Cc2cccnc2)c1 ZINC000674011576 487499662 /nfs/dbraw/zinc/49/96/62/487499662.db2.gz WIIBVOJHSPKVLB-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cccc([C@@H]2CC[N@H+]2Cc2ccccn2)c1 ZINC000674012380 487993542 /nfs/dbraw/zinc/99/35/42/487993542.db2.gz ZOFXLZWAQXYYEF-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cccc([C@@H]2CC[N@@H+]2Cc2ccccn2)c1 ZINC000674012380 487993537 /nfs/dbraw/zinc/99/35/37/487993537.db2.gz ZOFXLZWAQXYYEF-HNNXBMFYSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cccc([C@H]2CC[N@H+]2Cc2ccccn2)c1 ZINC000674012382 487993757 /nfs/dbraw/zinc/99/37/57/487993757.db2.gz ZOFXLZWAQXYYEF-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO Fc1cccc([C@H]2CC[N@@H+]2Cc2ccccn2)c1 ZINC000674012382 487993751 /nfs/dbraw/zinc/99/37/51/487993751.db2.gz ZOFXLZWAQXYYEF-OAHLLOKOSA-N 1 2 242.297 3.168 20 0 BGADLO CC(C)(C)c1nc(NCCc2ccco2)cc[nH+]1 ZINC000674062588 487506163 /nfs/dbraw/zinc/50/61/63/487506163.db2.gz VERYEPRBJOFSKC-UHFFFAOYSA-N 1 2 245.326 3.022 20 0 BGADLO CC(C)(C)c1nc(NCC2CCCC2)cc[nH+]1 ZINC000674063439 487506306 /nfs/dbraw/zinc/50/63/06/487506306.db2.gz ZEHFYQJZNDKYRY-UHFFFAOYSA-N 1 2 233.359 3.376 20 0 BGADLO Cc1occc1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000674063801 487506138 /nfs/dbraw/zinc/50/61/38/487506138.db2.gz MZTLZLTXBIFEKH-UHFFFAOYSA-N 1 2 245.326 3.288 20 0 BGADLO C[C@@H](CNc1cc[nH+]c(C(C)(C)C)n1)C1CC1 ZINC000674063993 487506230 /nfs/dbraw/zinc/50/62/30/487506230.db2.gz NWKZZPAMSOXHGD-JTQLQIEISA-N 1 2 233.359 3.232 20 0 BGADLO C[C@H](CNc1cc[nH+]c(C(C)(C)C)n1)C1CC1 ZINC000674063994 487506464 /nfs/dbraw/zinc/50/64/64/487506464.db2.gz NWKZZPAMSOXHGD-SNVBAGLBSA-N 1 2 233.359 3.232 20 0 BGADLO Cc1ccc(CN(c2cccc[nH+]2)C2CC2)o1 ZINC000674064156 487507599 /nfs/dbraw/zinc/50/75/99/487507599.db2.gz KRMZQJQACIQXPS-UHFFFAOYSA-N 1 2 228.295 3.152 20 0 BGADLO CCC[C@@H](C)N(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000674064286 487507337 /nfs/dbraw/zinc/50/73/37/487507337.db2.gz IJTNAHLDGUBKFH-LLVKDONJSA-N 1 2 235.375 3.399 20 0 BGADLO CCC[C@H](C)N(C)c1cc[nH+]c(C(C)(C)C)n1 ZINC000674064287 487507546 /nfs/dbraw/zinc/50/75/46/487507546.db2.gz IJTNAHLDGUBKFH-NSHDSACASA-N 1 2 235.375 3.399 20 0 BGADLO CC[C@H](C)Nc1ccc2cc(OC)ccc2[nH+]1 ZINC000674065496 487507273 /nfs/dbraw/zinc/50/72/73/487507273.db2.gz ZZKYWCCZUZKEKI-JTQLQIEISA-N 1 2 230.311 3.454 20 0 BGADLO CC[C@@H](C)Nc1ccc2cc(OC)ccc2[nH+]1 ZINC000674065503 487507312 /nfs/dbraw/zinc/50/73/12/487507312.db2.gz ZZKYWCCZUZKEKI-SNVBAGLBSA-N 1 2 230.311 3.454 20 0 BGADLO CC(C)(C)c1nc(NCCCC2CC2)cc[nH+]1 ZINC000674066061 488103736 /nfs/dbraw/zinc/10/37/36/488103736.db2.gz YZPFCLJRXKDCDY-UHFFFAOYSA-N 1 2 233.359 3.376 20 0 BGADLO CCCN(CC)c1cc[nH+]c(C(C)(C)C)n1 ZINC000674083483 487568242 /nfs/dbraw/zinc/56/82/42/487568242.db2.gz ZXMPEJDOETYOIJ-UHFFFAOYSA-N 1 2 221.348 3.010 20 0 BGADLO CC(C)(C)c1nc(NCCC(F)(F)F)cc[nH+]1 ZINC000674083554 487569862 /nfs/dbraw/zinc/56/98/62/487569862.db2.gz ZZANVGRLZNBDHE-UHFFFAOYSA-N 1 2 247.264 3.138 20 0 BGADLO Fc1ccccc1C[NH2+]C1(C(F)F)CCCC1 ZINC000674135230 487524512 /nfs/dbraw/zinc/52/45/12/487524512.db2.gz IQOQPPZSSPGUGI-UHFFFAOYSA-N 1 2 243.272 3.493 20 0 BGADLO Cc1ccncc1C[NH2+]C1(C(F)F)CCCC1 ZINC000674135359 487521510 /nfs/dbraw/zinc/52/15/10/487521510.db2.gz LHWUGTIGBBBVPV-UHFFFAOYSA-N 1 2 240.297 3.058 20 0 BGADLO Cc1ncccc1C[NH2+]C1(C(F)F)CCCC1 ZINC000674135379 487524508 /nfs/dbraw/zinc/52/45/08/487524508.db2.gz NHQMXQGHVSMRSK-UHFFFAOYSA-N 1 2 240.297 3.058 20 0 BGADLO Fc1cccc(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000674135669 487525485 /nfs/dbraw/zinc/52/54/85/487525485.db2.gz XNTGYSBHQBZRGD-UHFFFAOYSA-N 1 2 243.272 3.493 20 0 BGADLO Fc1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1 ZINC000674135698 487669844 /nfs/dbraw/zinc/66/98/44/487669844.db2.gz ZXFXKMGOVZZAQZ-UHFFFAOYSA-N 1 2 243.272 3.493 20 0 BGADLO Oc1cccc(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000674143961 487525629 /nfs/dbraw/zinc/52/56/29/487525629.db2.gz GHARWLIXFBKENC-UHFFFAOYSA-N 1 2 241.281 3.060 20 0 BGADLO Cc1ccc(C[NH2+]C2(C(F)F)CCCC2)nc1 ZINC000674144027 487675556 /nfs/dbraw/zinc/67/55/56/487675556.db2.gz MANISKHJMNCIDC-UHFFFAOYSA-N 1 2 240.297 3.058 20 0 BGADLO COc1ccc2[nH+]c(NCC3(C)CC3)ccc2c1 ZINC000674413220 488029648 /nfs/dbraw/zinc/02/96/48/488029648.db2.gz CSHCSHPGLNXOBK-UHFFFAOYSA-N 1 2 242.322 3.455 20 0 BGADLO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CC(F)F)C1(C)C ZINC000674498819 487903704 /nfs/dbraw/zinc/90/37/04/487903704.db2.gz NFZRYSVULMZACW-GHMZBOCLSA-N 1 2 249.345 3.167 20 0 BGADLO CCCCO[C@@H]1C[C@@H]([N@H+](C)CC(F)F)C1(C)C ZINC000674498819 487903697 /nfs/dbraw/zinc/90/36/97/487903697.db2.gz NFZRYSVULMZACW-GHMZBOCLSA-N 1 2 249.345 3.167 20 0 BGADLO CCCCO[C@H]1C[C@@H]([N@@H+](C)CC(F)F)C1(C)C ZINC000674498822 487903553 /nfs/dbraw/zinc/90/35/53/487903553.db2.gz NFZRYSVULMZACW-MNOVXSKESA-N 1 2 249.345 3.167 20 0 BGADLO CCCCO[C@H]1C[C@@H]([N@H+](C)CC(F)F)C1(C)C ZINC000674498822 487903546 /nfs/dbraw/zinc/90/35/46/487903546.db2.gz NFZRYSVULMZACW-MNOVXSKESA-N 1 2 249.345 3.167 20 0 BGADLO CCCCO[C@H]1C[C@H]([N@@H+](C)CC(F)F)C1(C)C ZINC000674498825 487903573 /nfs/dbraw/zinc/90/35/73/487903573.db2.gz NFZRYSVULMZACW-QWRGUYRKSA-N 1 2 249.345 3.167 20 0 BGADLO CCCCO[C@H]1C[C@H]([N@H+](C)CC(F)F)C1(C)C ZINC000674498825 487903569 /nfs/dbraw/zinc/90/35/69/487903569.db2.gz NFZRYSVULMZACW-QWRGUYRKSA-N 1 2 249.345 3.167 20 0 BGADLO CCCCO[C@@H]1C[C@H]([N@@H+](C)CC(F)F)C1(C)C ZINC000674498827 487903814 /nfs/dbraw/zinc/90/38/14/487903814.db2.gz NFZRYSVULMZACW-WDEREUQCSA-N 1 2 249.345 3.167 20 0 BGADLO CCCCO[C@@H]1C[C@H]([N@H+](C)CC(F)F)C1(C)C ZINC000674498827 487903810 /nfs/dbraw/zinc/90/38/10/487903810.db2.gz NFZRYSVULMZACW-WDEREUQCSA-N 1 2 249.345 3.167 20 0 BGADLO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(F)F)C1(CC)CC ZINC000674501103 487588980 /nfs/dbraw/zinc/58/89/80/487588980.db2.gz IOJREHBRFHTADB-GHMZBOCLSA-N 1 2 249.345 3.167 20 0 BGADLO CCO[C@@H]1C[C@@H]([N@H+](C)CC(F)F)C1(CC)CC ZINC000674501103 487588978 /nfs/dbraw/zinc/58/89/78/487588978.db2.gz IOJREHBRFHTADB-GHMZBOCLSA-N 1 2 249.345 3.167 20 0 BGADLO CCO[C@H]1C[C@@H]([N@@H+](C)CC(F)F)C1(CC)CC ZINC000674501104 487588186 /nfs/dbraw/zinc/58/81/86/487588186.db2.gz IOJREHBRFHTADB-MNOVXSKESA-N 1 2 249.345 3.167 20 0 BGADLO CCO[C@H]1C[C@@H]([N@H+](C)CC(F)F)C1(CC)CC ZINC000674501104 487588181 /nfs/dbraw/zinc/58/81/81/487588181.db2.gz IOJREHBRFHTADB-MNOVXSKESA-N 1 2 249.345 3.167 20 0 BGADLO CCO[C@H]1C[C@H]([N@@H+](C)CC(F)F)C1(CC)CC ZINC000674501105 487587945 /nfs/dbraw/zinc/58/79/45/487587945.db2.gz IOJREHBRFHTADB-QWRGUYRKSA-N 1 2 249.345 3.167 20 0 BGADLO CCO[C@H]1C[C@H]([N@H+](C)CC(F)F)C1(CC)CC ZINC000674501105 487587939 /nfs/dbraw/zinc/58/79/39/487587939.db2.gz IOJREHBRFHTADB-QWRGUYRKSA-N 1 2 249.345 3.167 20 0 BGADLO CCO[C@@H]1C[C@H]([N@@H+](C)CC(F)F)C1(CC)CC ZINC000674501106 487589029 /nfs/dbraw/zinc/58/90/29/487589029.db2.gz IOJREHBRFHTADB-WDEREUQCSA-N 1 2 249.345 3.167 20 0 BGADLO CCO[C@@H]1C[C@H]([N@H+](C)CC(F)F)C1(CC)CC ZINC000674501106 487589028 /nfs/dbraw/zinc/58/90/28/487589028.db2.gz IOJREHBRFHTADB-WDEREUQCSA-N 1 2 249.345 3.167 20 0 BGADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cn[nH]c1 ZINC000674752501 487611347 /nfs/dbraw/zinc/61/13/47/487611347.db2.gz ZXNVBHFQTVYXFW-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cn[nH]c1 ZINC000674752501 487611344 /nfs/dbraw/zinc/61/13/44/487611344.db2.gz ZXNVBHFQTVYXFW-JTQLQIEISA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cn[nH]c1 ZINC000674752502 487612186 /nfs/dbraw/zinc/61/21/86/487612186.db2.gz ZXNVBHFQTVYXFW-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cn[nH]c1 ZINC000674752502 487612184 /nfs/dbraw/zinc/61/21/84/487612184.db2.gz ZXNVBHFQTVYXFW-SNVBAGLBSA-N 1 2 249.745 3.256 20 0 BGADLO Cc1ccc(NC(=O)[C@@H](C)c2ccco2)c(C)[nH+]1 ZINC000674833524 487631644 /nfs/dbraw/zinc/63/16/44/487631644.db2.gz JNHSRFVKBFCYTH-JTQLQIEISA-N 1 2 244.294 3.034 20 0 BGADLO Cc1ccc(NC(=O)[C@H](C)c2ccco2)c(C)[nH+]1 ZINC000674833525 487631418 /nfs/dbraw/zinc/63/14/18/487631418.db2.gz JNHSRFVKBFCYTH-SNVBAGLBSA-N 1 2 244.294 3.034 20 0 BGADLO Cc1ccc(NC(=O)CCC(C)(F)F)c(C)[nH+]1 ZINC000674838084 487632836 /nfs/dbraw/zinc/63/28/36/487632836.db2.gz IZJGGEDBBAUQQZ-UHFFFAOYSA-N 1 2 242.269 3.072 20 0 BGADLO Cc1ccc(NC(=O)[C@H](C)C2CCCC2)c(C)[nH+]1 ZINC000674838705 487633406 /nfs/dbraw/zinc/63/34/06/487633406.db2.gz UWTSIBGKDQMHJY-LLVKDONJSA-N 1 2 246.354 3.463 20 0 BGADLO Cc1ccc(NC(=O)[C@@H](C)C2CCCC2)c(C)[nH+]1 ZINC000674838706 487632288 /nfs/dbraw/zinc/63/22/88/487632288.db2.gz UWTSIBGKDQMHJY-NSHDSACASA-N 1 2 246.354 3.463 20 0 BGADLO CCC[C@@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000674857508 487636301 /nfs/dbraw/zinc/63/63/01/487636301.db2.gz SCJVFMSSHFARBX-SECBINFHSA-N 1 2 235.331 3.009 20 0 BGADLO CCC[C@H](C)NC(=O)Nc1ccc(C)[nH+]c1C ZINC000674857509 487635861 /nfs/dbraw/zinc/63/58/61/487635861.db2.gz SCJVFMSSHFARBX-VIFPVBQESA-N 1 2 235.331 3.009 20 0 BGADLO Cc1csc(C[N@H+](C)Cc2ccsc2)n1 ZINC000674873138 487640241 /nfs/dbraw/zinc/64/02/41/487640241.db2.gz XLPAUPDWMWIVHO-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1csc(C[N@@H+](C)Cc2ccsc2)n1 ZINC000674873138 487640239 /nfs/dbraw/zinc/64/02/39/487640239.db2.gz XLPAUPDWMWIVHO-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO CCC[N@@H+](CCCOC(C)(C)C)CC(F)F ZINC000674905148 487646567 /nfs/dbraw/zinc/64/65/67/487646567.db2.gz HUOIDWJZCARDQK-UHFFFAOYSA-N 1 2 237.334 3.169 20 0 BGADLO CCC[N@H+](CCCOC(C)(C)C)CC(F)F ZINC000674905148 487646565 /nfs/dbraw/zinc/64/65/65/487646565.db2.gz HUOIDWJZCARDQK-UHFFFAOYSA-N 1 2 237.334 3.169 20 0 BGADLO c1ccc(NCc2ccc3cccnc3c2)[nH+]c1 ZINC000675049899 487859305 /nfs/dbraw/zinc/85/93/05/487859305.db2.gz RRBSODDQSBLLNH-UHFFFAOYSA-N 1 2 235.290 3.242 20 0 BGADLO Cc1cc(C)c(NCc2[nH+]ccn2C)c(Cl)c1 ZINC000675150773 487675316 /nfs/dbraw/zinc/67/53/16/487675316.db2.gz VPMIZEIHKUUGAO-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO CC(C)(CNc1cccc[nH+]1)[C@H]1CCCCO1 ZINC000675154303 487676393 /nfs/dbraw/zinc/67/63/93/487676393.db2.gz SODWPAPTHLOBOE-GFCCVEGCSA-N 1 2 234.343 3.089 20 0 BGADLO CC(C)(CNc1cccc[nH+]1)[C@@H]1CCCCO1 ZINC000675154304 487675641 /nfs/dbraw/zinc/67/56/41/487675641.db2.gz SODWPAPTHLOBOE-LBPRGKRZSA-N 1 2 234.343 3.089 20 0 BGADLO CCC(CC)CC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000675226736 487682937 /nfs/dbraw/zinc/68/29/37/487682937.db2.gz XLSZPYPUUZEYFU-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO CC(C)CCC1CC[NH+](CC(F)F)CC1 ZINC000675319667 487702161 /nfs/dbraw/zinc/70/21/61/487702161.db2.gz FAPHRBLRNJBMMS-UHFFFAOYSA-N 1 2 219.319 3.400 20 0 BGADLO Cc1cc(C)c(NCc2c[nH+]cn2C)c(Cl)c1 ZINC000675320218 487702540 /nfs/dbraw/zinc/70/25/40/487702540.db2.gz IXKOSGVHOMSELD-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@H]2CC23CCC3)c(C)[nH+]1 ZINC000675414626 487723781 /nfs/dbraw/zinc/72/37/81/487723781.db2.gz CUQQQFAJTHFOGN-GFCCVEGCSA-N 1 2 244.338 3.136 20 0 BGADLO Cc1cc(C)c(NC(=O)[C@@H]2CC23CCC3)c(C)[nH+]1 ZINC000675414627 487724401 /nfs/dbraw/zinc/72/44/01/487724401.db2.gz CUQQQFAJTHFOGN-LBPRGKRZSA-N 1 2 244.338 3.136 20 0 BGADLO CCc1c[nH+]ccc1NC(=O)C(CC)(CC)CC ZINC000675456377 487734801 /nfs/dbraw/zinc/73/48/01/487734801.db2.gz MPHLADQRFUDMGY-UHFFFAOYSA-N 1 2 248.370 3.221 20 0 BGADLO CC(C)c1cc(C[NH2+][C@@H](C)c2ccoc2)on1 ZINC000675882063 488131012 /nfs/dbraw/zinc/13/10/12/488131012.db2.gz ABFDHTPUOYWDGY-JTQLQIEISA-N 1 2 234.299 3.242 20 0 BGADLO CC(C)c1cc(C[NH2+][C@H](C)c2ccoc2)on1 ZINC000675882068 488130947 /nfs/dbraw/zinc/13/09/47/488130947.db2.gz ABFDHTPUOYWDGY-SNVBAGLBSA-N 1 2 234.299 3.242 20 0 BGADLO Clc1cccc2c1CC[C@H]2[NH2+]Cc1ccon1 ZINC000675925803 487792525 /nfs/dbraw/zinc/79/25/25/487792525.db2.gz DPGWYXFOAMQMPP-CYBMUJFWSA-N 1 2 248.713 3.105 20 0 BGADLO Clc1cccc2c1CC[C@@H]2[NH2+]Cc1ccon1 ZINC000675925804 487792400 /nfs/dbraw/zinc/79/24/00/487792400.db2.gz DPGWYXFOAMQMPP-ZDUSSCGKSA-N 1 2 248.713 3.105 20 0 BGADLO CCc1cc(N[C@H]2CCCC(F)(F)C2)nc[nH+]1 ZINC000676030085 487801226 /nfs/dbraw/zinc/80/12/26/487801226.db2.gz DENVMJCUYLTCHH-JTQLQIEISA-N 1 2 241.285 3.029 20 0 BGADLO CCc1cc(N[C@@H]2CCCC(F)(F)C2)nc[nH+]1 ZINC000676030087 487800924 /nfs/dbraw/zinc/80/09/24/487800924.db2.gz DENVMJCUYLTCHH-SNVBAGLBSA-N 1 2 241.285 3.029 20 0 BGADLO CC(C)[N@@H+](CCCOC(C)(C)C)CC(F)F ZINC000676042370 487804278 /nfs/dbraw/zinc/80/42/78/487804278.db2.gz WRVIBYQOPQHGQL-UHFFFAOYSA-N 1 2 237.334 3.167 20 0 BGADLO CC(C)[N@H+](CCCOC(C)(C)C)CC(F)F ZINC000676042370 487804272 /nfs/dbraw/zinc/80/42/72/487804272.db2.gz WRVIBYQOPQHGQL-UHFFFAOYSA-N 1 2 237.334 3.167 20 0 BGADLO CC[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000676197211 487819086 /nfs/dbraw/zinc/81/90/86/487819086.db2.gz AWALPIVADRMFPJ-GFCCVEGCSA-N 1 2 243.354 3.200 20 0 BGADLO CC[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000676197212 487818904 /nfs/dbraw/zinc/81/89/04/487818904.db2.gz AWALPIVADRMFPJ-LBPRGKRZSA-N 1 2 243.354 3.200 20 0 BGADLO COc1ccc(NCc2cc(C)ccc2F)[nH+]c1 ZINC000676200976 487820319 /nfs/dbraw/zinc/82/03/19/487820319.db2.gz BAHXIYPBZUWFMI-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1ccc(NCc2ccc(C)c(F)c2)[nH+]c1 ZINC000676200979 487819578 /nfs/dbraw/zinc/81/95/78/487819578.db2.gz BASWBYOSFHEJAL-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1ccc(NCc2cc(C)ccc2C)[nH+]c1 ZINC000676201068 487820215 /nfs/dbraw/zinc/82/02/15/487820215.db2.gz HPJANJOOZOMXEM-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1ccc(NCc2cc(C)cc(C)c2)[nH+]c1 ZINC000676201193 487820056 /nfs/dbraw/zinc/82/00/56/487820056.db2.gz LAFPYTRSGULECR-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1ccc(NCc2ccc(F)cc2C)[nH+]c1 ZINC000676201252 487819782 /nfs/dbraw/zinc/81/97/82/487819782.db2.gz NQIHPUMKNSJQJG-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO COc1ccc(NC/C=C/c2ccccc2)[nH+]c1 ZINC000676201258 487821144 /nfs/dbraw/zinc/82/11/44/487821144.db2.gz NQZFDMRYIWJDEB-VMPITWQZSA-N 1 2 240.306 3.216 20 0 BGADLO COc1ccc(NC/C=C\c2ccccc2)[nH+]c1 ZINC000676201275 487820153 /nfs/dbraw/zinc/82/01/53/487820153.db2.gz NQZFDMRYIWJDEB-YVMONPNESA-N 1 2 240.306 3.216 20 0 BGADLO COc1ccc(NCc2ccc(C)cc2C)[nH+]c1 ZINC000676201304 487821273 /nfs/dbraw/zinc/82/12/73/487821273.db2.gz PGARXQKLYZERKF-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1ccc(NCc2cccc(C)c2C)[nH+]c1 ZINC000676201457 487821003 /nfs/dbraw/zinc/82/10/03/487821003.db2.gz UYOUSWMPIBGGLB-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1ccc(NCc2ccc(C)c(C)c2)[nH+]c1 ZINC000676201464 487821127 /nfs/dbraw/zinc/82/11/27/487821127.db2.gz VFLPGSKUTJWBSQ-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1ccc(NCc2cc(C)sc2C)[nH+]c1 ZINC000676201522 487820137 /nfs/dbraw/zinc/82/01/37/487820137.db2.gz XRQOEEBQDBXGCJ-UHFFFAOYSA-N 1 2 248.351 3.381 20 0 BGADLO COc1ccc(NCc2ccc(F)c(C)c2)[nH+]c1 ZINC000676201547 487821092 /nfs/dbraw/zinc/82/10/92/487821092.db2.gz YNGFUNVWZJSBBE-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO FC(F)C1C[NH+](Cc2ccc(Cl)cc2)C1 ZINC000676222164 487822871 /nfs/dbraw/zinc/82/28/71/487822871.db2.gz AZDMNVZWEPJPQJ-UHFFFAOYSA-N 1 2 231.673 3.037 20 0 BGADLO Fc1cccc(Cl)c1C[NH+]1CC(C(F)F)C1 ZINC000676222252 487823588 /nfs/dbraw/zinc/82/35/88/487823588.db2.gz IBGYMKFOFOPSSP-UHFFFAOYSA-N 1 2 249.663 3.176 20 0 BGADLO FC(F)C1C[NH+](Cc2cccc(Cl)c2)C1 ZINC000676222383 487823226 /nfs/dbraw/zinc/82/32/26/487823226.db2.gz MBFKVNPZAPZKSO-UHFFFAOYSA-N 1 2 231.673 3.037 20 0 BGADLO FC(F)C1C[NH+](Cc2ccccc2Cl)C1 ZINC000676222457 487822811 /nfs/dbraw/zinc/82/28/11/487822811.db2.gz OJQAHAHWOYQFLW-UHFFFAOYSA-N 1 2 231.673 3.037 20 0 BGADLO Fc1ccc(C[NH+]2CC(C(F)F)C2)c(Cl)c1 ZINC000676222595 487823726 /nfs/dbraw/zinc/82/37/26/487823726.db2.gz RIIDWGGOOYHUFR-UHFFFAOYSA-N 1 2 249.663 3.176 20 0 BGADLO FC(F)C1C[NH+](Cc2ccc(Cl)s2)C1 ZINC000676222683 487823581 /nfs/dbraw/zinc/82/35/81/487823581.db2.gz YLJDOTYYZNYALZ-UHFFFAOYSA-N 1 2 237.702 3.098 20 0 BGADLO FC1(F)CN(c2cccc[nH+]2)Cc2ccccc21 ZINC000676352242 487841866 /nfs/dbraw/zinc/84/18/66/487841866.db2.gz ANQPWXIXTLEQPM-UHFFFAOYSA-N 1 2 246.260 3.194 20 0 BGADLO CCC(CC)(CC)C(=O)Nc1cc(C)[nH+]cc1C ZINC000676587954 487877210 /nfs/dbraw/zinc/87/72/10/487877210.db2.gz KWVKEUKGVOLODC-UHFFFAOYSA-N 1 2 248.370 3.275 20 0 BGADLO Cc1ccc(C[N@@H+](Cc2nccs2)C2CC2)o1 ZINC000676715123 487903166 /nfs/dbraw/zinc/90/31/66/487903166.db2.gz SICZFRQPGLAHHP-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO Cc1ccc(C[N@H+](Cc2nccs2)C2CC2)o1 ZINC000676715123 487903158 /nfs/dbraw/zinc/90/31/58/487903158.db2.gz SICZFRQPGLAHHP-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO CC[N@@H+](Cc1nccs1)Cc1ccc(C)cc1 ZINC000676715146 487903664 /nfs/dbraw/zinc/90/36/64/487903664.db2.gz SPGFKYRSVFVYJZ-UHFFFAOYSA-N 1 2 246.379 3.474 20 0 BGADLO CC[N@H+](Cc1nccs1)Cc1ccc(C)cc1 ZINC000676715146 487903659 /nfs/dbraw/zinc/90/36/59/487903659.db2.gz SPGFKYRSVFVYJZ-UHFFFAOYSA-N 1 2 246.379 3.474 20 0 BGADLO CC(C)CC1(C)CC[NH+](CC(F)F)CC1 ZINC000677155082 487986571 /nfs/dbraw/zinc/98/65/71/487986571.db2.gz BOJQOGUMBOLMHM-UHFFFAOYSA-N 1 2 219.319 3.400 20 0 BGADLO Cc1cc(N[C@@H](C)C2CCC2)nc(C2CC2)[nH+]1 ZINC000677308678 488013033 /nfs/dbraw/zinc/01/30/33/488013033.db2.gz NFTNRRAAGYQXQZ-JTQLQIEISA-N 1 2 231.343 3.263 20 0 BGADLO Cc1cc(N[C@H](C)C2CCC2)nc(C2CC2)[nH+]1 ZINC000677308679 488012942 /nfs/dbraw/zinc/01/29/42/488012942.db2.gz NFTNRRAAGYQXQZ-SNVBAGLBSA-N 1 2 231.343 3.263 20 0 BGADLO Cc1ccc(NC(=O)N[C@@H](C)C2CCC2)c(C)[nH+]1 ZINC000677376662 488025992 /nfs/dbraw/zinc/02/59/92/488025992.db2.gz XAHNMWCLYAZIIE-JTQLQIEISA-N 1 2 247.342 3.009 20 0 BGADLO Cc1ccc(NC(=O)N[C@H](C)C2CCC2)c(C)[nH+]1 ZINC000677376663 488026286 /nfs/dbraw/zinc/02/62/86/488026286.db2.gz XAHNMWCLYAZIIE-SNVBAGLBSA-N 1 2 247.342 3.009 20 0 BGADLO CCc1cc(NCC23CCC(CC2)C3)nc[nH+]1 ZINC000677420731 488032340 /nfs/dbraw/zinc/03/23/40/488032340.db2.gz PMMHEHMQPFPBMY-UHFFFAOYSA-N 1 2 231.343 3.031 20 0 BGADLO Cc1noc([C@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000677561815 488075032 /nfs/dbraw/zinc/07/50/32/488075032.db2.gz XTOZWPJSEHPJQW-JTQLQIEISA-N 1 2 249.358 3.117 20 0 BGADLO Cc1noc([C@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000677561815 488075029 /nfs/dbraw/zinc/07/50/29/488075029.db2.gz XTOZWPJSEHPJQW-JTQLQIEISA-N 1 2 249.358 3.117 20 0 BGADLO Cc1noc([C@@H](C)[N@@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000677561818 488074939 /nfs/dbraw/zinc/07/49/39/488074939.db2.gz XTOZWPJSEHPJQW-SNVBAGLBSA-N 1 2 249.358 3.117 20 0 BGADLO Cc1noc([C@@H](C)[N@H+]2CC=C(C(C)(C)C)CC2)n1 ZINC000677561818 488074935 /nfs/dbraw/zinc/07/49/35/488074935.db2.gz XTOZWPJSEHPJQW-SNVBAGLBSA-N 1 2 249.358 3.117 20 0 BGADLO C[N@H+](Cc1ccsc1)Cc1ncc(C2CC2)o1 ZINC000677675304 488091075 /nfs/dbraw/zinc/09/10/75/488091075.db2.gz BQYIKQSHOHSSEN-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@@H+](Cc1ccsc1)Cc1ncc(C2CC2)o1 ZINC000677675304 488091071 /nfs/dbraw/zinc/09/10/71/488091071.db2.gz BQYIKQSHOHSSEN-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1ncc(C2CC2)o1 ZINC000677681801 488092919 /nfs/dbraw/zinc/09/29/19/488092919.db2.gz MPWYRKVJWZPOAX-UHFFFAOYSA-N 1 2 246.310 3.167 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1ncc(C2CC2)o1 ZINC000677681801 488092916 /nfs/dbraw/zinc/09/29/16/488092916.db2.gz MPWYRKVJWZPOAX-UHFFFAOYSA-N 1 2 246.310 3.167 20 0 BGADLO Cc1ccc(CC[N@H+]2CCC[C@H]2C(F)F)cc1 ZINC000677737067 488115934 /nfs/dbraw/zinc/11/59/34/488115934.db2.gz OTDAIUZGOQIQAP-ZDUSSCGKSA-N 1 2 239.309 3.267 20 0 BGADLO Cc1ccc(CC[N@@H+]2CCC[C@H]2C(F)F)cc1 ZINC000677737067 488115929 /nfs/dbraw/zinc/11/59/29/488115929.db2.gz OTDAIUZGOQIQAP-ZDUSSCGKSA-N 1 2 239.309 3.267 20 0 BGADLO CCc1ccc(C[N@H+]2CCC[C@H]2C(F)F)cc1 ZINC000677738856 488116810 /nfs/dbraw/zinc/11/68/10/488116810.db2.gz MNHUYTAYGKVUOY-ZDUSSCGKSA-N 1 2 239.309 3.479 20 0 BGADLO CCc1ccc(C[N@@H+]2CCC[C@H]2C(F)F)cc1 ZINC000677738856 488116806 /nfs/dbraw/zinc/11/68/06/488116806.db2.gz MNHUYTAYGKVUOY-ZDUSSCGKSA-N 1 2 239.309 3.479 20 0 BGADLO CC(C)c1cc(N2CC[C@H]2C)nc(C(C)C)[nH+]1 ZINC000677743479 488118043 /nfs/dbraw/zinc/11/80/43/488118043.db2.gz LKUXYRHASBHTKB-LLVKDONJSA-N 1 2 233.359 3.322 20 0 BGADLO CC(C)c1cc(N2CC[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000677743480 488118147 /nfs/dbraw/zinc/11/81/47/488118147.db2.gz LKUXYRHASBHTKB-NSHDSACASA-N 1 2 233.359 3.322 20 0 BGADLO COc1ccc[nH+]c1NCc1ccc(C)cc1C ZINC000677852365 488140025 /nfs/dbraw/zinc/14/00/25/488140025.db2.gz DAXILVXMFJGMSR-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1ccc(C)c([N@@H+](C[C@@H](C)CO)C(C)C)c1 ZINC000678047060 488185137 /nfs/dbraw/zinc/18/51/37/488185137.db2.gz XWWXDTWSXJJNDN-CYBMUJFWSA-N 1 2 235.371 3.147 20 0 BGADLO Cc1ccc(C)c([N@H+](C[C@@H](C)CO)C(C)C)c1 ZINC000678047060 488185136 /nfs/dbraw/zinc/18/51/36/488185136.db2.gz XWWXDTWSXJJNDN-CYBMUJFWSA-N 1 2 235.371 3.147 20 0 BGADLO Cc1ccc(C)c([N@@H+](C[C@H](C)CO)C(C)C)c1 ZINC000678047063 488185357 /nfs/dbraw/zinc/18/53/57/488185357.db2.gz XWWXDTWSXJJNDN-ZDUSSCGKSA-N 1 2 235.371 3.147 20 0 BGADLO Cc1ccc(C)c([N@H+](C[C@H](C)CO)C(C)C)c1 ZINC000678047063 488185351 /nfs/dbraw/zinc/18/53/51/488185351.db2.gz XWWXDTWSXJJNDN-ZDUSSCGKSA-N 1 2 235.371 3.147 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cscc2Cl)C[C@H](C)O1 ZINC000678117769 488198704 /nfs/dbraw/zinc/19/87/04/488198704.db2.gz GVSXAIKRKSKJRE-DTORHVGOSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cscc2Cl)C[C@H](C)O1 ZINC000678117769 488198700 /nfs/dbraw/zinc/19/87/00/488198700.db2.gz GVSXAIKRKSKJRE-DTORHVGOSA-N 1 2 245.775 3.011 20 0 BGADLO CC[C@H]1C[N@@H+](Cc2cscc2Cl)CCO1 ZINC000678132759 488202737 /nfs/dbraw/zinc/20/27/37/488202737.db2.gz ZWJUKMWYNARSFU-JTQLQIEISA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1C[N@H+](Cc2cscc2Cl)CCO1 ZINC000678132759 488202734 /nfs/dbraw/zinc/20/27/34/488202734.db2.gz ZWJUKMWYNARSFU-JTQLQIEISA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1C[N@@H+](Cc2cscc2Cl)CCO1 ZINC000678132760 488203351 /nfs/dbraw/zinc/20/33/51/488203351.db2.gz ZWJUKMWYNARSFU-SNVBAGLBSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1C[N@H+](Cc2cscc2Cl)CCO1 ZINC000678132760 488203346 /nfs/dbraw/zinc/20/33/46/488203346.db2.gz ZWJUKMWYNARSFU-SNVBAGLBSA-N 1 2 245.775 3.012 20 0 BGADLO Cc1ccc(C[N@@H+](Cc2cncs2)C2CC2)o1 ZINC000678135476 488202647 /nfs/dbraw/zinc/20/26/47/488202647.db2.gz OFKWDYYQNKOWBB-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO Cc1ccc(C[N@H+](Cc2cncs2)C2CC2)o1 ZINC000678135476 488202645 /nfs/dbraw/zinc/20/26/45/488202645.db2.gz OFKWDYYQNKOWBB-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cn[nH]c1C ZINC000678137819 488204333 /nfs/dbraw/zinc/20/43/33/488204333.db2.gz VSAMFEFFBZHAPS-HNNXBMFYSA-N 1 2 243.354 3.301 20 0 BGADLO CC[C@@H](c1ccccc1)[N@H+](C)Cc1cn[nH]c1C ZINC000678137819 488204330 /nfs/dbraw/zinc/20/43/30/488204330.db2.gz VSAMFEFFBZHAPS-HNNXBMFYSA-N 1 2 243.354 3.301 20 0 BGADLO CC[C@H](c1ccccc1)[N@@H+](C)Cc1cn[nH]c1C ZINC000678137860 488203877 /nfs/dbraw/zinc/20/38/77/488203877.db2.gz VSAMFEFFBZHAPS-OAHLLOKOSA-N 1 2 243.354 3.301 20 0 BGADLO CC[C@H](c1ccccc1)[N@H+](C)Cc1cn[nH]c1C ZINC000678137860 488203876 /nfs/dbraw/zinc/20/38/76/488203876.db2.gz VSAMFEFFBZHAPS-OAHLLOKOSA-N 1 2 243.354 3.301 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC000678139850 488205297 /nfs/dbraw/zinc/20/52/97/488205297.db2.gz AUBLPNCZOXVPJA-LLVKDONJSA-N 1 2 247.317 3.050 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000678139850 488205294 /nfs/dbraw/zinc/20/52/94/488205294.db2.gz AUBLPNCZOXVPJA-LLVKDONJSA-N 1 2 247.317 3.050 20 0 BGADLO Cc1[nH]ncc1C[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000678139851 488205254 /nfs/dbraw/zinc/20/52/54/488205254.db2.gz AUBLPNCZOXVPJA-NSHDSACASA-N 1 2 247.317 3.050 20 0 BGADLO Cc1[nH]ncc1C[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000678139851 488205252 /nfs/dbraw/zinc/20/52/52/488205252.db2.gz AUBLPNCZOXVPJA-NSHDSACASA-N 1 2 247.317 3.050 20 0 BGADLO CC[N@@H+](Cc1cn[nH]c1)Cc1ccccc1Cl ZINC000678140969 488206575 /nfs/dbraw/zinc/20/65/75/488206575.db2.gz BQXNSKGDOOKWLF-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO CC[N@H+](Cc1cn[nH]c1)Cc1ccccc1Cl ZINC000678140969 488206572 /nfs/dbraw/zinc/20/65/72/488206572.db2.gz BQXNSKGDOOKWLF-UHFFFAOYSA-N 1 2 249.745 3.085 20 0 BGADLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cscc1Cl ZINC000678153937 488209883 /nfs/dbraw/zinc/20/98/83/488209883.db2.gz VTAMIUUXQCHLQU-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cscc1Cl ZINC000678153937 488209879 /nfs/dbraw/zinc/20/98/79/488209879.db2.gz VTAMIUUXQCHLQU-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cscc2Cl)[C@@H](C)CO1 ZINC000678153939 488209087 /nfs/dbraw/zinc/20/90/87/488209087.db2.gz VTAMIUUXQCHLQU-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cscc2Cl)[C@@H](C)CO1 ZINC000678153939 488209084 /nfs/dbraw/zinc/20/90/84/488209084.db2.gz VTAMIUUXQCHLQU-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[N@@H+](Cc2cscc2Cl)[C@@H](C)CO1 ZINC000678153940 488209470 /nfs/dbraw/zinc/20/94/70/488209470.db2.gz VTAMIUUXQCHLQU-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1C[N@H+](Cc2cscc2Cl)[C@@H](C)CO1 ZINC000678153940 488209465 /nfs/dbraw/zinc/20/94/65/488209465.db2.gz VTAMIUUXQCHLQU-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cscc2Cl)[C@H](C)CO1 ZINC000678153942 488209258 /nfs/dbraw/zinc/20/92/58/488209258.db2.gz VTAMIUUXQCHLQU-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cscc2Cl)[C@H](C)CO1 ZINC000678153942 488209256 /nfs/dbraw/zinc/20/92/56/488209256.db2.gz VTAMIUUXQCHLQU-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO CC1(C)C[N@@H+](Cc2cscc2Cl)CCO1 ZINC000678178578 488214002 /nfs/dbraw/zinc/21/40/02/488214002.db2.gz SMLULUGMANXVKA-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)C[N@H+](Cc2cscc2Cl)CCO1 ZINC000678178578 488213999 /nfs/dbraw/zinc/21/39/99/488213999.db2.gz SMLULUGMANXVKA-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1COCC[N@H+]1Cc1cscc1Cl ZINC000678181676 488214064 /nfs/dbraw/zinc/21/40/64/488214064.db2.gz GCDONZCKGNOGJF-JTQLQIEISA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@H]1COCC[N@@H+]1Cc1cscc1Cl ZINC000678181676 488214060 /nfs/dbraw/zinc/21/40/60/488214060.db2.gz GCDONZCKGNOGJF-JTQLQIEISA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1COCC[N@H+]1Cc1cscc1Cl ZINC000678181677 488213877 /nfs/dbraw/zinc/21/38/77/488213877.db2.gz GCDONZCKGNOGJF-SNVBAGLBSA-N 1 2 245.775 3.012 20 0 BGADLO CC[C@@H]1COCC[N@@H+]1Cc1cscc1Cl ZINC000678181677 488213875 /nfs/dbraw/zinc/21/38/75/488213875.db2.gz GCDONZCKGNOGJF-SNVBAGLBSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)COCC[N@H+]1Cc1cscc1Cl ZINC000678210583 488216939 /nfs/dbraw/zinc/21/69/39/488216939.db2.gz OQSYLJSQYJCKQK-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO CC1(C)COCC[N@@H+]1Cc1cscc1Cl ZINC000678210583 488216935 /nfs/dbraw/zinc/21/69/35/488216935.db2.gz OQSYLJSQYJCKQK-UHFFFAOYSA-N 1 2 245.775 3.012 20 0 BGADLO c1ccc2c(c1)C[NH+](Cc1n[nH]c3ccccc13)C2 ZINC000678241376 488225417 /nfs/dbraw/zinc/22/54/17/488225417.db2.gz SSOYCQYCWOONMD-UHFFFAOYSA-N 1 2 249.317 3.079 20 0 BGADLO c1ccc2c(c1)C[NH+](Cc1[nH]nc3ccccc31)C2 ZINC000678241376 488225414 /nfs/dbraw/zinc/22/54/14/488225414.db2.gz SSOYCQYCWOONMD-UHFFFAOYSA-N 1 2 249.317 3.079 20 0 BGADLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cscc1Cl ZINC000678267858 488230913 /nfs/dbraw/zinc/23/09/13/488230913.db2.gz SORUCUTXRRBIQW-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cscc1Cl ZINC000678267858 488230912 /nfs/dbraw/zinc/23/09/12/488230912.db2.gz SORUCUTXRRBIQW-BDAKNGLRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@@H+](Cc2cscc2Cl)[C@H]1C ZINC000678267861 488224996 /nfs/dbraw/zinc/22/49/96/488224996.db2.gz SORUCUTXRRBIQW-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@H+](Cc2cscc2Cl)[C@H]1C ZINC000678267861 488224992 /nfs/dbraw/zinc/22/49/92/488224992.db2.gz SORUCUTXRRBIQW-DTWKUNHWSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1OCC[N@@H+](Cc2cscc2Cl)[C@H]1C ZINC000678267864 488224887 /nfs/dbraw/zinc/22/48/87/488224887.db2.gz SORUCUTXRRBIQW-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@@H]1OCC[N@H+](Cc2cscc2Cl)[C@H]1C ZINC000678267864 488224883 /nfs/dbraw/zinc/22/48/83/488224883.db2.gz SORUCUTXRRBIQW-IUCAKERBSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@@H+](Cc2cscc2Cl)[C@@H]1C ZINC000678267866 488225540 /nfs/dbraw/zinc/22/55/40/488225540.db2.gz SORUCUTXRRBIQW-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[C@H]1OCC[N@H+](Cc2cscc2Cl)[C@@H]1C ZINC000678267866 488225537 /nfs/dbraw/zinc/22/55/37/488225537.db2.gz SORUCUTXRRBIQW-RKDXNWHRSA-N 1 2 245.775 3.011 20 0 BGADLO C[N@@H+](Cc1ccon1)Cc1ccccc1C1CC1 ZINC000678275630 488235191 /nfs/dbraw/zinc/23/51/91/488235191.db2.gz VUHCODNSRJHZEB-UHFFFAOYSA-N 1 2 242.322 3.184 20 0 BGADLO C[N@H+](Cc1ccon1)Cc1ccccc1C1CC1 ZINC000678275630 488235190 /nfs/dbraw/zinc/23/51/90/488235190.db2.gz VUHCODNSRJHZEB-UHFFFAOYSA-N 1 2 242.322 3.184 20 0 BGADLO Clc1ccc([C@H]2CC[N@H+]2Cc2cn[nH]c2)cc1 ZINC000678279756 488236203 /nfs/dbraw/zinc/23/62/03/488236203.db2.gz SMWIOCMHPWCIQH-CYBMUJFWSA-N 1 2 247.729 3.010 20 0 BGADLO Clc1ccc([C@H]2CC[N@@H+]2Cc2cn[nH]c2)cc1 ZINC000678279756 488236201 /nfs/dbraw/zinc/23/62/01/488236201.db2.gz SMWIOCMHPWCIQH-CYBMUJFWSA-N 1 2 247.729 3.010 20 0 BGADLO Clc1ccc([C@@H]2CC[N@H+]2Cc2cn[nH]c2)cc1 ZINC000678279757 488236117 /nfs/dbraw/zinc/23/61/17/488236117.db2.gz SMWIOCMHPWCIQH-ZDUSSCGKSA-N 1 2 247.729 3.010 20 0 BGADLO Clc1ccc([C@@H]2CC[N@@H+]2Cc2cn[nH]c2)cc1 ZINC000678279757 488236114 /nfs/dbraw/zinc/23/61/14/488236114.db2.gz SMWIOCMHPWCIQH-ZDUSSCGKSA-N 1 2 247.729 3.010 20 0 BGADLO Fc1cccc([C@H]2CC[N@H+]2Cc2cncs2)c1 ZINC000678283179 488236284 /nfs/dbraw/zinc/23/62/84/488236284.db2.gz DAVWPYNXQSEGCC-CYBMUJFWSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1cccc([C@H]2CC[N@@H+]2Cc2cncs2)c1 ZINC000678283179 488236282 /nfs/dbraw/zinc/23/62/82/488236282.db2.gz DAVWPYNXQSEGCC-CYBMUJFWSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1cccc([C@@H]2CC[N@H+]2Cc2cncs2)c1 ZINC000678283180 488236692 /nfs/dbraw/zinc/23/66/92/488236692.db2.gz DAVWPYNXQSEGCC-ZDUSSCGKSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1cccc([C@@H]2CC[N@@H+]2Cc2cncs2)c1 ZINC000678283180 488236689 /nfs/dbraw/zinc/23/66/89/488236689.db2.gz DAVWPYNXQSEGCC-ZDUSSCGKSA-N 1 2 248.326 3.229 20 0 BGADLO Fc1cccc([C@@H]2CC[N@H+]2Cc2ccco2)c1 ZINC000678283590 488237165 /nfs/dbraw/zinc/23/71/65/488237165.db2.gz OGQYBUSIWQPNJI-AWEZNQCLSA-N 1 2 231.270 3.366 20 0 BGADLO Fc1cccc([C@@H]2CC[N@@H+]2Cc2ccco2)c1 ZINC000678283590 488237164 /nfs/dbraw/zinc/23/71/64/488237164.db2.gz OGQYBUSIWQPNJI-AWEZNQCLSA-N 1 2 231.270 3.366 20 0 BGADLO Fc1cccc([C@H]2CC[N@H+]2Cc2ccco2)c1 ZINC000678283595 488067257 /nfs/dbraw/zinc/06/72/57/488067257.db2.gz OGQYBUSIWQPNJI-CQSZACIVSA-N 1 2 231.270 3.366 20 0 BGADLO Fc1cccc([C@H]2CC[N@@H+]2Cc2ccco2)c1 ZINC000678283595 488067253 /nfs/dbraw/zinc/06/72/53/488067253.db2.gz OGQYBUSIWQPNJI-CQSZACIVSA-N 1 2 231.270 3.366 20 0 BGADLO C[N@@H+](Cc1ccc[nH]1)Cc1cscc1Cl ZINC000678294470 488238150 /nfs/dbraw/zinc/23/81/50/488238150.db2.gz JCLHUESBUYKEEI-UHFFFAOYSA-N 1 2 240.759 3.362 20 0 BGADLO C[N@H+](Cc1ccc[nH]1)Cc1cscc1Cl ZINC000678294470 488238146 /nfs/dbraw/zinc/23/81/46/488238146.db2.gz JCLHUESBUYKEEI-UHFFFAOYSA-N 1 2 240.759 3.362 20 0 BGADLO CCc1cc(NCCCc2cccs2)nc[nH+]1 ZINC000678313186 488240048 /nfs/dbraw/zinc/24/00/48/488240048.db2.gz QTZMUZGVXBZMEZ-UHFFFAOYSA-N 1 2 247.367 3.145 20 0 BGADLO Cc1nc(C[NH2+][C@@H](C)c2cnccc2C)cs1 ZINC000678361525 488246637 /nfs/dbraw/zinc/24/66/37/488246637.db2.gz FDJKANAOYBBKIU-JTQLQIEISA-N 1 2 247.367 3.006 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2cnccc2C)cs1 ZINC000678361526 488246508 /nfs/dbraw/zinc/24/65/08/488246508.db2.gz FDJKANAOYBBKIU-SNVBAGLBSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccc([C@H](C)[NH2+]Cc2cscn2)c(C)n1 ZINC000678416739 488253309 /nfs/dbraw/zinc/25/33/09/488253309.db2.gz PKPOKIJBDRCREA-JTQLQIEISA-N 1 2 247.367 3.006 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+]Cc2cscn2)c(C)n1 ZINC000678416741 488253365 /nfs/dbraw/zinc/25/33/65/488253365.db2.gz PKPOKIJBDRCREA-SNVBAGLBSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccsc2)o1 ZINC000678460592 488256949 /nfs/dbraw/zinc/25/69/49/488256949.db2.gz KQBDPSXCNXRTQN-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc([C@H](C)[N@H+](C)Cc2ccsc2)o1 ZINC000678460592 488256946 /nfs/dbraw/zinc/25/69/46/488256946.db2.gz KQBDPSXCNXRTQN-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc([C@@H](C)[N@@H+](C)Cc2ccsc2)o1 ZINC000678460604 488256896 /nfs/dbraw/zinc/25/68/96/488256896.db2.gz KQBDPSXCNXRTQN-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1cnc([C@@H](C)[N@H+](C)Cc2ccsc2)o1 ZINC000678460604 488256892 /nfs/dbraw/zinc/25/68/92/488256892.db2.gz KQBDPSXCNXRTQN-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO CC[N@@H+](Cc1ccoc1)[C@H](C)c1ncc(C)o1 ZINC000678462885 488256943 /nfs/dbraw/zinc/25/69/43/488256943.db2.gz ZNKPSHBRCCUCSL-LLVKDONJSA-N 1 2 234.299 3.159 20 0 BGADLO CC[N@H+](Cc1ccoc1)[C@H](C)c1ncc(C)o1 ZINC000678462885 488256939 /nfs/dbraw/zinc/25/69/39/488256939.db2.gz ZNKPSHBRCCUCSL-LLVKDONJSA-N 1 2 234.299 3.159 20 0 BGADLO CC[N@@H+](Cc1ccoc1)[C@@H](C)c1ncc(C)o1 ZINC000678462886 488256782 /nfs/dbraw/zinc/25/67/82/488256782.db2.gz ZNKPSHBRCCUCSL-NSHDSACASA-N 1 2 234.299 3.159 20 0 BGADLO CC[N@H+](Cc1ccoc1)[C@@H](C)c1ncc(C)o1 ZINC000678462886 488256779 /nfs/dbraw/zinc/25/67/79/488256779.db2.gz ZNKPSHBRCCUCSL-NSHDSACASA-N 1 2 234.299 3.159 20 0 BGADLO CCn1cc[nH+]c1CNc1ccc(C2CC2)cc1 ZINC000678480306 488259898 /nfs/dbraw/zinc/25/98/98/488259898.db2.gz JOXLAXUTAHBQKA-UHFFFAOYSA-N 1 2 241.338 3.393 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1ncc(C)s1 ZINC000678514667 488263605 /nfs/dbraw/zinc/26/36/05/488263605.db2.gz JMPHZEZJGZNGOB-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1ncc(C)s1 ZINC000678514667 488263604 /nfs/dbraw/zinc/26/36/04/488263604.db2.gz JMPHZEZJGZNGOB-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2ccsc2)s1 ZINC000678517515 488263595 /nfs/dbraw/zinc/26/35/95/488263595.db2.gz RIMHAAMRBMDQSY-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2ccsc2)s1 ZINC000678517515 488263593 /nfs/dbraw/zinc/26/35/93/488263593.db2.gz RIMHAAMRBMDQSY-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO CCc1cc(NCCc2sccc2C)nc[nH+]1 ZINC000678613431 488272314 /nfs/dbraw/zinc/27/23/14/488272314.db2.gz FNEKDWIGSXLWCP-UHFFFAOYSA-N 1 2 247.367 3.064 20 0 BGADLO COc1ccc(NCc2c(C)cccc2C)[nH+]c1 ZINC000678623883 488273594 /nfs/dbraw/zinc/27/35/94/488273594.db2.gz QAYWQZJWORRDBY-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO CC1(C)c2ccccc2CC[N@@H+]1CC(F)F ZINC000678641562 488275120 /nfs/dbraw/zinc/27/51/20/488275120.db2.gz SGMXTCOADAFXCT-UHFFFAOYSA-N 1 2 225.282 3.045 20 0 BGADLO CC1(C)c2ccccc2CC[N@H+]1CC(F)F ZINC000678641562 488275117 /nfs/dbraw/zinc/27/51/17/488275117.db2.gz SGMXTCOADAFXCT-UHFFFAOYSA-N 1 2 225.282 3.045 20 0 BGADLO CC(C)Oc1ccccc1[C@H](C)[NH2+]CC(F)F ZINC000678745172 491076921 /nfs/dbraw/zinc/07/69/21/491076921.db2.gz OLFDDQIMSOZYFM-JTQLQIEISA-N 1 2 243.297 3.390 20 0 BGADLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC(F)F ZINC000678745177 491076918 /nfs/dbraw/zinc/07/69/18/491076918.db2.gz OLFDDQIMSOZYFM-SNVBAGLBSA-N 1 2 243.297 3.390 20 0 BGADLO C[C@H](CCc1ccccc1)Nc1cc[nH+]cc1F ZINC000678786337 488282844 /nfs/dbraw/zinc/28/28/44/488282844.db2.gz ICKCQMZMQRLCJZ-GFCCVEGCSA-N 1 2 244.313 3.076 20 0 BGADLO C[C@@H](CCc1ccccc1)Nc1cc[nH+]cc1F ZINC000678786338 488282703 /nfs/dbraw/zinc/28/27/03/488282703.db2.gz ICKCQMZMQRLCJZ-LBPRGKRZSA-N 1 2 244.313 3.076 20 0 BGADLO Fc1c[nH+]ccc1N(Cc1cccs1)C1CC1 ZINC000678787996 488283613 /nfs/dbraw/zinc/28/36/13/488283613.db2.gz BURIVQPPGXYINR-UHFFFAOYSA-N 1 2 248.326 3.451 20 0 BGADLO Fc1c[nH+]ccc1N1CCC[C@@H]1C1CCCC1 ZINC000678788350 488283370 /nfs/dbraw/zinc/28/33/70/488283370.db2.gz JOFODRFDCXDLPP-CYBMUJFWSA-N 1 2 234.318 3.380 20 0 BGADLO Fc1c[nH+]ccc1N1CCC[C@H]1C1CCCC1 ZINC000678788353 488283627 /nfs/dbraw/zinc/28/36/27/488283627.db2.gz JOFODRFDCXDLPP-ZDUSSCGKSA-N 1 2 234.318 3.380 20 0 BGADLO CN(c1cc[nH+]cc1F)[C@H]1CCc2ccccc21 ZINC000678788376 488283232 /nfs/dbraw/zinc/28/32/32/488283232.db2.gz JXYGCEDPEFMLDK-AWEZNQCLSA-N 1 2 242.297 3.344 20 0 BGADLO CN(c1cc[nH+]cc1F)[C@@H]1CCc2ccccc21 ZINC000678788586 488283189 /nfs/dbraw/zinc/28/31/89/488283189.db2.gz JXYGCEDPEFMLDK-CQSZACIVSA-N 1 2 242.297 3.344 20 0 BGADLO Cc1ccc(CN(C)c2cc[nH+]cc2F)cc1 ZINC000678788595 488283468 /nfs/dbraw/zinc/28/34/68/488283468.db2.gz KBGYOJMOLCGMRF-UHFFFAOYSA-N 1 2 230.286 3.166 20 0 BGADLO Fc1c[nH+]ccc1N(Cc1ccccc1)C1CC1 ZINC000678789214 488283345 /nfs/dbraw/zinc/28/33/45/488283345.db2.gz UINZKJVERJFFTN-UHFFFAOYSA-N 1 2 242.297 3.390 20 0 BGADLO CC(C)[C@H](Nc1cc[nH+]cc1F)c1ccccc1 ZINC000678789272 488283769 /nfs/dbraw/zinc/28/37/69/488283769.db2.gz WKOJJMRQVSDNOM-HNNXBMFYSA-N 1 2 244.313 3.452 20 0 BGADLO CC(C)[C@@H](Nc1cc[nH+]cc1F)c1ccccc1 ZINC000678789276 488283937 /nfs/dbraw/zinc/28/39/37/488283937.db2.gz WKOJJMRQVSDNOM-OAHLLOKOSA-N 1 2 244.313 3.452 20 0 BGADLO C[N@@H+](CC(F)F)CC(C)(C)c1ccccc1 ZINC000678819284 487652299 /nfs/dbraw/zinc/65/22/99/487652299.db2.gz OSVXXOPCJMWEHX-UHFFFAOYSA-N 1 2 227.298 3.161 20 0 BGADLO C[N@H+](CC(F)F)CC(C)(C)c1ccccc1 ZINC000678819284 487652298 /nfs/dbraw/zinc/65/22/98/487652298.db2.gz OSVXXOPCJMWEHX-UHFFFAOYSA-N 1 2 227.298 3.161 20 0 BGADLO Cc1cc([C@H]([NH2+]CC(F)F)C2CC2)ccc1F ZINC000678903132 488294786 /nfs/dbraw/zinc/29/47/86/488294786.db2.gz JIIMOTHWWVIJSL-CYBMUJFWSA-N 1 2 243.272 3.440 20 0 BGADLO Cc1cc([C@@H]([NH2+]CC(F)F)C2CC2)ccc1F ZINC000678903133 488295106 /nfs/dbraw/zinc/29/51/06/488295106.db2.gz JIIMOTHWWVIJSL-ZDUSSCGKSA-N 1 2 243.272 3.440 20 0 BGADLO Cc1cccc([C@@H](C)[NH2+]Cc2csnn2)c1C ZINC000678929781 487695309 /nfs/dbraw/zinc/69/53/09/487695309.db2.gz NHWJWYWWFAPYIR-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cccc([C@H](C)[NH2+]Cc2csnn2)c1C ZINC000678929782 487695857 /nfs/dbraw/zinc/69/58/57/487695857.db2.gz NHWJWYWWFAPYIR-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO COc1ccc(N[C@@H]2CCC[C@@H](C3CC3)C2)[nH+]c1 ZINC000678938638 488296919 /nfs/dbraw/zinc/29/69/19/488296919.db2.gz DVIJVDYQKGWIDM-CHWSQXEVSA-N 1 2 246.354 3.471 20 0 BGADLO COc1ccc(N[C@H]2CCC[C@@H](C3CC3)C2)[nH+]c1 ZINC000678938639 488297038 /nfs/dbraw/zinc/29/70/38/488297038.db2.gz DVIJVDYQKGWIDM-OLZOCXBDSA-N 1 2 246.354 3.471 20 0 BGADLO COc1ccc(N[C@@H]2CCC[C@H](C3CC3)C2)[nH+]c1 ZINC000678938640 488296972 /nfs/dbraw/zinc/29/69/72/488296972.db2.gz DVIJVDYQKGWIDM-QWHCGFSZSA-N 1 2 246.354 3.471 20 0 BGADLO COc1ccc(N[C@H]2CCC[C@H](C3CC3)C2)[nH+]c1 ZINC000678938642 488296856 /nfs/dbraw/zinc/29/68/56/488296856.db2.gz DVIJVDYQKGWIDM-STQMWFEESA-N 1 2 246.354 3.471 20 0 BGADLO COc1ccc[nH+]c1NCc1cc(C)cc(C)c1 ZINC000678940610 488296960 /nfs/dbraw/zinc/29/69/60/488296960.db2.gz DMLOPQQWCKUPRY-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1ccc[nH+]c1NCc1ccc(F)c(C)c1 ZINC000678941443 488296939 /nfs/dbraw/zinc/29/69/39/488296939.db2.gz PAQCIHHYIFMODS-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO CC(C)(C[N@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000678992147 488301230 /nfs/dbraw/zinc/30/12/30/488301230.db2.gz CFWINYXMPFPTIG-UHFFFAOYSA-N 1 2 239.309 3.305 20 0 BGADLO CC(C)(C[N@@H+]1CCC(F)(F)C1)c1ccccc1 ZINC000678992147 488301228 /nfs/dbraw/zinc/30/12/28/488301228.db2.gz CFWINYXMPFPTIG-UHFFFAOYSA-N 1 2 239.309 3.305 20 0 BGADLO FC1(F)CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000678992279 488301285 /nfs/dbraw/zinc/30/12/85/488301285.db2.gz GQLPIIHSOHDELV-UHFFFAOYSA-N 1 2 237.293 3.405 20 0 BGADLO FC1(F)CC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000678992279 488301284 /nfs/dbraw/zinc/30/12/84/488301284.db2.gz GQLPIIHSOHDELV-UHFFFAOYSA-N 1 2 237.293 3.405 20 0 BGADLO CC[C@H](Nc1ccc(N2CCCC2)c[nH+]1)C1CC1 ZINC000679004435 488302442 /nfs/dbraw/zinc/30/24/42/488302442.db2.gz KMDCBMYDAJXLHP-AWEZNQCLSA-N 1 2 245.370 3.282 20 0 BGADLO CC[C@@H](Nc1ccc(N2CCCC2)c[nH+]1)C1CC1 ZINC000679004448 488302175 /nfs/dbraw/zinc/30/21/75/488302175.db2.gz KMDCBMYDAJXLHP-CQSZACIVSA-N 1 2 245.370 3.282 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2cocn2)cc(C)c1F ZINC000679048060 488304902 /nfs/dbraw/zinc/30/49/02/488304902.db2.gz NNQMBLXKZPDFLK-LLVKDONJSA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2cocn2)cc(C)c1F ZINC000679048061 488304746 /nfs/dbraw/zinc/30/47/46/488304746.db2.gz NNQMBLXKZPDFLK-NSHDSACASA-N 1 2 248.301 3.281 20 0 BGADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1cocn1)CC2 ZINC000679048797 488304769 /nfs/dbraw/zinc/30/47/69/488304769.db2.gz QHFROYRRNDJLIN-CYBMUJFWSA-N 1 2 248.713 3.105 20 0 BGADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1cocn1)CC2 ZINC000679048802 488305024 /nfs/dbraw/zinc/30/50/24/488305024.db2.gz QHFROYRRNDJLIN-ZDUSSCGKSA-N 1 2 248.713 3.105 20 0 BGADLO COc1ccc(N[C@H]2CCc3ccccc32)[nH+]c1 ZINC000679068549 488305521 /nfs/dbraw/zinc/30/55/21/488305521.db2.gz HTVJFKLNCNCREQ-AWEZNQCLSA-N 1 2 240.306 3.190 20 0 BGADLO COc1ccc(N[C@@H]2CCc3ccccc32)[nH+]c1 ZINC000679068550 488305282 /nfs/dbraw/zinc/30/52/82/488305282.db2.gz HTVJFKLNCNCREQ-CQSZACIVSA-N 1 2 240.306 3.190 20 0 BGADLO CCc1ccc([C@H](C)Nc2ccc(OC)c[nH+]2)o1 ZINC000679068719 488305506 /nfs/dbraw/zinc/30/55/06/488305506.db2.gz NDDSYCWSXYKRER-JTQLQIEISA-N 1 2 246.310 3.419 20 0 BGADLO CCc1ccc([C@@H](C)Nc2ccc(OC)c[nH+]2)o1 ZINC000679068720 488305593 /nfs/dbraw/zinc/30/55/93/488305593.db2.gz NDDSYCWSXYKRER-SNVBAGLBSA-N 1 2 246.310 3.419 20 0 BGADLO COc1ccc(N[C@H](C)c2csc(C)n2)[nH+]c1 ZINC000679069099 488305382 /nfs/dbraw/zinc/30/53/82/488305382.db2.gz XTQWKOOWPHCDOG-MRVPVSSYSA-N 1 2 249.339 3.028 20 0 BGADLO COc1ccc(N[C@@H](C)c2csc(C)n2)[nH+]c1 ZINC000679069100 488305373 /nfs/dbraw/zinc/30/53/73/488305373.db2.gz XTQWKOOWPHCDOG-QMMMGPOBSA-N 1 2 249.339 3.028 20 0 BGADLO COc1ccc(N[C@H](C)c2cnc(C)s2)[nH+]c1 ZINC000679069132 488305295 /nfs/dbraw/zinc/30/52/95/488305295.db2.gz YJYUEMJNGJEREA-MRVPVSSYSA-N 1 2 249.339 3.028 20 0 BGADLO COc1ccc(N[C@@H](C)c2cnc(C)s2)[nH+]c1 ZINC000679069140 488305456 /nfs/dbraw/zinc/30/54/56/488305456.db2.gz YJYUEMJNGJEREA-QMMMGPOBSA-N 1 2 249.339 3.028 20 0 BGADLO COc1ccc(N[C@@H]2CCC[C@@H]2C(C)C)[nH+]c1 ZINC000679069237 488305396 /nfs/dbraw/zinc/30/53/96/488305396.db2.gz DSQQWERSVDWIJI-CHWSQXEVSA-N 1 2 234.343 3.327 20 0 BGADLO COc1ccc(N[C@H]2CCC[C@@H]2C(C)C)[nH+]c1 ZINC000679069238 488305624 /nfs/dbraw/zinc/30/56/24/488305624.db2.gz DSQQWERSVDWIJI-OLZOCXBDSA-N 1 2 234.343 3.327 20 0 BGADLO COc1ccc(N[C@@H]2CCC[C@H]2C(C)C)[nH+]c1 ZINC000679069239 488304439 /nfs/dbraw/zinc/30/44/39/488304439.db2.gz DSQQWERSVDWIJI-QWHCGFSZSA-N 1 2 234.343 3.327 20 0 BGADLO COc1ccc(N[C@H]2CCC[C@H]2C(C)C)[nH+]c1 ZINC000679069240 488304296 /nfs/dbraw/zinc/30/42/96/488304296.db2.gz DSQQWERSVDWIJI-STQMWFEESA-N 1 2 234.343 3.327 20 0 BGADLO COc1ccc(N[C@H](C)CC2CCCC2)[nH+]c1 ZINC000679070144 488306195 /nfs/dbraw/zinc/30/61/95/488306195.db2.gz RUSCTOYFEHSDCB-LLVKDONJSA-N 1 2 234.343 3.471 20 0 BGADLO COc1ccc(N[C@@H](C)CC2CCCC2)[nH+]c1 ZINC000679070145 488305921 /nfs/dbraw/zinc/30/59/21/488305921.db2.gz RUSCTOYFEHSDCB-NSHDSACASA-N 1 2 234.343 3.471 20 0 BGADLO CCn1cc(N[C@H](C)c2ccc(C)[nH+]c2C)cn1 ZINC000679085227 488307201 /nfs/dbraw/zinc/30/72/01/488307201.db2.gz QFWPSONUJBXAIS-GFCCVEGCSA-N 1 2 244.342 3.088 20 0 BGADLO CCn1cc(N[C@@H](C)c2ccc(C)[nH+]c2C)cn1 ZINC000679085228 488307257 /nfs/dbraw/zinc/30/72/57/488307257.db2.gz QFWPSONUJBXAIS-LBPRGKRZSA-N 1 2 244.342 3.088 20 0 BGADLO C[C@@H](Nc1ccc(C2CC2)cc1)c1[nH+]ccn1C ZINC000679091071 488307755 /nfs/dbraw/zinc/30/77/55/488307755.db2.gz XSADOUZBSQMCDU-LLVKDONJSA-N 1 2 241.338 3.471 20 0 BGADLO C[C@H](Nc1ccc(C2CC2)cc1)c1[nH+]ccn1C ZINC000679091072 488307811 /nfs/dbraw/zinc/30/78/11/488307811.db2.gz XSADOUZBSQMCDU-NSHDSACASA-N 1 2 241.338 3.471 20 0 BGADLO COc1cc(C)ccc1[NH2+][C@H](C)C1CCOCC1 ZINC000679139298 488312800 /nfs/dbraw/zinc/31/28/00/488312800.db2.gz KOTVSNUMKJENSN-GFCCVEGCSA-N 1 2 249.354 3.231 20 0 BGADLO COc1cc(C)ccc1[NH2+][C@@H](C)C1CCOCC1 ZINC000679139299 488312617 /nfs/dbraw/zinc/31/26/17/488312617.db2.gz KOTVSNUMKJENSN-LBPRGKRZSA-N 1 2 249.354 3.231 20 0 BGADLO COc1ccc(NCc2cc(F)ccc2C)[nH+]c1 ZINC000679184505 488315380 /nfs/dbraw/zinc/31/53/80/488315380.db2.gz QKAKUTSPQVOMMD-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C[C@H]1F ZINC000679222384 488319699 /nfs/dbraw/zinc/31/96/99/488319699.db2.gz IEAMEYCBHSFAHY-NOZJJQNGSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@H]1F ZINC000679222384 488319697 /nfs/dbraw/zinc/31/96/97/488319697.db2.gz IEAMEYCBHSFAHY-NOZJJQNGSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C[C@@H]1F ZINC000679222386 488319840 /nfs/dbraw/zinc/31/98/40/488319840.db2.gz IEAMEYCBHSFAHY-RNCFNFMXSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@@H]1F ZINC000679222386 488319839 /nfs/dbraw/zinc/31/98/39/488319839.db2.gz IEAMEYCBHSFAHY-RNCFNFMXSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C[C@H]1F ZINC000679222388 488319790 /nfs/dbraw/zinc/31/97/90/488319790.db2.gz IEAMEYCBHSFAHY-TVQRCGJNSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@H]1F ZINC000679222388 488319789 /nfs/dbraw/zinc/31/97/89/488319789.db2.gz IEAMEYCBHSFAHY-TVQRCGJNSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C[C@@H]1F ZINC000679222389 488319975 /nfs/dbraw/zinc/31/99/75/488319975.db2.gz IEAMEYCBHSFAHY-ZANVPECISA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C[C@@H]1F ZINC000679222389 488319974 /nfs/dbraw/zinc/31/99/74/488319974.db2.gz IEAMEYCBHSFAHY-ZANVPECISA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@H]1F ZINC000679222651 488319886 /nfs/dbraw/zinc/31/98/86/488319886.db2.gz JPJLIOIQDFWTEJ-GHMZBOCLSA-N 1 2 248.301 3.008 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C[C@H]1F ZINC000679222651 488319884 /nfs/dbraw/zinc/31/98/84/488319884.db2.gz JPJLIOIQDFWTEJ-GHMZBOCLSA-N 1 2 248.301 3.008 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@@H]1F ZINC000679222653 488319876 /nfs/dbraw/zinc/31/98/76/488319876.db2.gz JPJLIOIQDFWTEJ-MNOVXSKESA-N 1 2 248.301 3.008 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C[C@@H]1F ZINC000679222653 488319875 /nfs/dbraw/zinc/31/98/75/488319875.db2.gz JPJLIOIQDFWTEJ-MNOVXSKESA-N 1 2 248.301 3.008 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@@H]1F ZINC000679222654 488319685 /nfs/dbraw/zinc/31/96/85/488319685.db2.gz JPJLIOIQDFWTEJ-QWRGUYRKSA-N 1 2 248.301 3.008 20 0 BGADLO C[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C[C@@H]1F ZINC000679222654 488319682 /nfs/dbraw/zinc/31/96/82/488319682.db2.gz JPJLIOIQDFWTEJ-QWRGUYRKSA-N 1 2 248.301 3.008 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C[C@H]1F ZINC000679222656 488320599 /nfs/dbraw/zinc/32/05/99/488320599.db2.gz JPJLIOIQDFWTEJ-WDEREUQCSA-N 1 2 248.301 3.008 20 0 BGADLO C[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C[C@H]1F ZINC000679222656 488320598 /nfs/dbraw/zinc/32/05/98/488320598.db2.gz JPJLIOIQDFWTEJ-WDEREUQCSA-N 1 2 248.301 3.008 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@H]1F ZINC000679224338 488320858 /nfs/dbraw/zinc/32/08/58/488320858.db2.gz OAVCAIYVDCJXPW-NOZJJQNGSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@H]1F ZINC000679224338 488320856 /nfs/dbraw/zinc/32/08/56/488320856.db2.gz OAVCAIYVDCJXPW-NOZJJQNGSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1F ZINC000679224339 487787406 /nfs/dbraw/zinc/78/74/06/487787406.db2.gz OAVCAIYVDCJXPW-RNCFNFMXSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@@H]1F ZINC000679224339 487787402 /nfs/dbraw/zinc/78/74/02/487787402.db2.gz OAVCAIYVDCJXPW-RNCFNFMXSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@H]1F ZINC000679224340 487787505 /nfs/dbraw/zinc/78/75/05/487787505.db2.gz OAVCAIYVDCJXPW-TVQRCGJNSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@H]1F ZINC000679224340 487787498 /nfs/dbraw/zinc/78/74/98/487787498.db2.gz OAVCAIYVDCJXPW-TVQRCGJNSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C[C@@H]1F ZINC000679224341 487787335 /nfs/dbraw/zinc/78/73/35/487787335.db2.gz OAVCAIYVDCJXPW-ZANVPECISA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C[C@@H]1F ZINC000679224341 487787329 /nfs/dbraw/zinc/78/73/29/487787329.db2.gz OAVCAIYVDCJXPW-ZANVPECISA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1F ZINC000679224433 488321173 /nfs/dbraw/zinc/32/11/73/488321173.db2.gz SPVIJNALIGAKPD-NOZJJQNGSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1F ZINC000679224433 488321170 /nfs/dbraw/zinc/32/11/70/488321170.db2.gz SPVIJNALIGAKPD-NOZJJQNGSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1F ZINC000679224435 488320998 /nfs/dbraw/zinc/32/09/98/488320998.db2.gz SPVIJNALIGAKPD-RNCFNFMXSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1F ZINC000679224435 488320996 /nfs/dbraw/zinc/32/09/96/488320996.db2.gz SPVIJNALIGAKPD-RNCFNFMXSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1F ZINC000679224436 488321247 /nfs/dbraw/zinc/32/12/47/488321247.db2.gz SPVIJNALIGAKPD-TVQRCGJNSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@H]1F ZINC000679224436 488321245 /nfs/dbraw/zinc/32/12/45/488321245.db2.gz SPVIJNALIGAKPD-TVQRCGJNSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1F ZINC000679224438 488321309 /nfs/dbraw/zinc/32/13/09/488321309.db2.gz SPVIJNALIGAKPD-ZANVPECISA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C[C@@H]1F ZINC000679224438 488321307 /nfs/dbraw/zinc/32/13/07/488321307.db2.gz SPVIJNALIGAKPD-ZANVPECISA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C[C@H]1F ZINC000679226720 488322525 /nfs/dbraw/zinc/32/25/25/488322525.db2.gz VNHWPYPCRUIUGF-BXKDBHETSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C[C@H]1F ZINC000679226720 488322524 /nfs/dbraw/zinc/32/25/24/488322524.db2.gz VNHWPYPCRUIUGF-BXKDBHETSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C[C@@H]1F ZINC000679226721 488322197 /nfs/dbraw/zinc/32/21/97/488322197.db2.gz VNHWPYPCRUIUGF-CABZTGNLSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2cccc(F)c2F)C[C@@H]1F ZINC000679226721 488322194 /nfs/dbraw/zinc/32/21/94/488322194.db2.gz VNHWPYPCRUIUGF-CABZTGNLSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C[C@H]1F ZINC000679226722 488322405 /nfs/dbraw/zinc/32/24/05/488322405.db2.gz VNHWPYPCRUIUGF-JOYOIKCWSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2cccc(F)c2F)C[C@H]1F ZINC000679226722 488322404 /nfs/dbraw/zinc/32/24/04/488322404.db2.gz VNHWPYPCRUIUGF-JOYOIKCWSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C[C@@H]1F ZINC000679226723 488322471 /nfs/dbraw/zinc/32/24/71/488322471.db2.gz VNHWPYPCRUIUGF-SKDRFNHKSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C[C@@H]1F ZINC000679226723 488322470 /nfs/dbraw/zinc/32/24/70/488322470.db2.gz VNHWPYPCRUIUGF-SKDRFNHKSA-N 1 2 243.272 3.145 20 0 BGADLO Cc1cc(N2CC=CCC2)c2cccc(F)c2[nH+]1 ZINC000679279736 488328417 /nfs/dbraw/zinc/32/84/17/488328417.db2.gz GSJUOZMSTHEKGU-UHFFFAOYSA-N 1 2 242.297 3.449 20 0 BGADLO COc1ccc2[nH+]c(N3CC=CCC3)ccc2c1 ZINC000679279748 488328194 /nfs/dbraw/zinc/32/81/94/488328194.db2.gz HFYZOKHHBQCYDG-UHFFFAOYSA-N 1 2 240.306 3.010 20 0 BGADLO Fc1ccc2cc[nH+]c(N3CC=CCC3)c2c1 ZINC000679279932 488328238 /nfs/dbraw/zinc/32/82/38/488328238.db2.gz LEPWTVXBCFUHCC-UHFFFAOYSA-N 1 2 228.270 3.140 20 0 BGADLO CC(C)c1cc(N2CC=CCC2)nc(C(C)C)[nH+]1 ZINC000679280000 488328674 /nfs/dbraw/zinc/32/86/74/488328674.db2.gz POWUWSUZBMMQIT-UHFFFAOYSA-N 1 2 245.370 3.490 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CC=CCC1 ZINC000679280204 488328636 /nfs/dbraw/zinc/32/86/36/488328636.db2.gz SQPZTAAIAFUYSJ-UHFFFAOYSA-N 1 2 224.307 3.310 20 0 BGADLO Cc1cc(C)cc(OCC[N@H+]2CCC=C(F)C2)c1 ZINC000679320625 488335073 /nfs/dbraw/zinc/33/50/73/488335073.db2.gz BKXXXIZXEGMHBF-UHFFFAOYSA-N 1 2 249.329 3.241 20 0 BGADLO Cc1cc(C)cc(OCC[N@@H+]2CCC=C(F)C2)c1 ZINC000679320625 488335070 /nfs/dbraw/zinc/33/50/70/488335070.db2.gz BKXXXIZXEGMHBF-UHFFFAOYSA-N 1 2 249.329 3.241 20 0 BGADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC=CCC1 ZINC000679321507 488335713 /nfs/dbraw/zinc/33/57/13/488335713.db2.gz FUTGRYSMHQYIJD-LLVKDONJSA-N 1 2 234.343 3.295 20 0 BGADLO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC=CCC1 ZINC000679321507 488335712 /nfs/dbraw/zinc/33/57/12/488335712.db2.gz FUTGRYSMHQYIJD-LLVKDONJSA-N 1 2 234.343 3.295 20 0 BGADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+]1CC=CCC1 ZINC000679321508 488335635 /nfs/dbraw/zinc/33/56/35/488335635.db2.gz FUTGRYSMHQYIJD-NSHDSACASA-N 1 2 234.343 3.295 20 0 BGADLO C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+]1CC=CCC1 ZINC000679321508 488335632 /nfs/dbraw/zinc/33/56/32/488335632.db2.gz FUTGRYSMHQYIJD-NSHDSACASA-N 1 2 234.343 3.295 20 0 BGADLO c1cc(-c2nc(C[N@@H+]3CC=CCC3)cs2)co1 ZINC000679321935 487900689 /nfs/dbraw/zinc/90/06/89/487900689.db2.gz OXNPMQZCJYZGIC-UHFFFAOYSA-N 1 2 246.335 3.165 20 0 BGADLO c1cc(-c2nc(C[N@H+]3CC=CCC3)cs2)co1 ZINC000679321935 487900686 /nfs/dbraw/zinc/90/06/86/487900686.db2.gz OXNPMQZCJYZGIC-UHFFFAOYSA-N 1 2 246.335 3.165 20 0 BGADLO CCC(CC)n1ccc(C[N@@H+]2CC=CCC2)n1 ZINC000679322387 487900859 /nfs/dbraw/zinc/90/08/59/487900859.db2.gz HVLBTSIZVYGDFU-UHFFFAOYSA-N 1 2 233.359 3.006 20 0 BGADLO CCC(CC)n1ccc(C[N@H+]2CC=CCC2)n1 ZINC000679322387 487900855 /nfs/dbraw/zinc/90/08/55/487900855.db2.gz HVLBTSIZVYGDFU-UHFFFAOYSA-N 1 2 233.359 3.006 20 0 BGADLO c1csc(-c2nc(C[N@@H+]3CC=CCC3)co2)c1 ZINC000679322488 490113168 /nfs/dbraw/zinc/11/31/68/490113168.db2.gz KWVVDHPWPHNUAX-UHFFFAOYSA-N 1 2 246.335 3.165 20 0 BGADLO c1csc(-c2nc(C[N@H+]3CC=CCC3)co2)c1 ZINC000679322488 490113158 /nfs/dbraw/zinc/11/31/58/490113158.db2.gz KWVVDHPWPHNUAX-UHFFFAOYSA-N 1 2 246.335 3.165 20 0 BGADLO CCCCc1nc(C[N@@H+]2CC=CCC2)cs1 ZINC000679322726 488336778 /nfs/dbraw/zinc/33/67/78/488336778.db2.gz AQLXMOFFBHTYGH-UHFFFAOYSA-N 1 2 236.384 3.248 20 0 BGADLO CCCCc1nc(C[N@H+]2CC=CCC2)cs1 ZINC000679322726 488336775 /nfs/dbraw/zinc/33/67/75/488336775.db2.gz AQLXMOFFBHTYGH-UHFFFAOYSA-N 1 2 236.384 3.248 20 0 BGADLO CC(C)(C)c1csc(C[N@@H+]2CC=CCC2)n1 ZINC000679322810 487902511 /nfs/dbraw/zinc/90/25/11/487902511.db2.gz OLJQNZUAGZSYRF-UHFFFAOYSA-N 1 2 236.384 3.203 20 0 BGADLO CC(C)(C)c1csc(C[N@H+]2CC=CCC2)n1 ZINC000679322810 487902503 /nfs/dbraw/zinc/90/25/03/487902503.db2.gz OLJQNZUAGZSYRF-UHFFFAOYSA-N 1 2 236.384 3.203 20 0 BGADLO c1coc(-c2nc(C[N@@H+]3CC=CCC3)cs2)c1 ZINC000679323031 487903918 /nfs/dbraw/zinc/90/39/18/487903918.db2.gz RFQLARBHCFFASA-UHFFFAOYSA-N 1 2 246.335 3.165 20 0 BGADLO c1coc(-c2nc(C[N@H+]3CC=CCC3)cs2)c1 ZINC000679323031 487903917 /nfs/dbraw/zinc/90/39/17/487903917.db2.gz RFQLARBHCFFASA-UHFFFAOYSA-N 1 2 246.335 3.165 20 0 BGADLO Fc1cccc(Cl)c1C[N@@H+]1CC=CCC1 ZINC000679323130 488336485 /nfs/dbraw/zinc/33/64/85/488336485.db2.gz JJLZNHZTNPTNNC-UHFFFAOYSA-N 1 2 225.694 3.241 20 0 BGADLO Fc1cccc(Cl)c1C[N@H+]1CC=CCC1 ZINC000679323130 488336484 /nfs/dbraw/zinc/33/64/84/488336484.db2.gz JJLZNHZTNPTNNC-UHFFFAOYSA-N 1 2 225.694 3.241 20 0 BGADLO Clc1cnc(C[N@@H+]2CC=CCC2)c(Cl)c1 ZINC000679323274 488336943 /nfs/dbraw/zinc/33/69/43/488336943.db2.gz LXMXSUXZGZLRCM-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO Clc1cnc(C[N@H+]2CC=CCC2)c(Cl)c1 ZINC000679323274 488336942 /nfs/dbraw/zinc/33/69/42/488336942.db2.gz LXMXSUXZGZLRCM-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO c1csc(-c2cc(C[N@@H+]3CC=CCC3)no2)c1 ZINC000679323800 487904486 /nfs/dbraw/zinc/90/44/86/487904486.db2.gz LMRMSUHIWQKYRE-UHFFFAOYSA-N 1 2 246.335 3.165 20 0 BGADLO c1csc(-c2cc(C[N@H+]3CC=CCC3)no2)c1 ZINC000679323800 487904482 /nfs/dbraw/zinc/90/44/82/487904482.db2.gz LMRMSUHIWQKYRE-UHFFFAOYSA-N 1 2 246.335 3.165 20 0 BGADLO CC(C)(C)c1nc(C[N@@H+]2CC=CCC2)cs1 ZINC000679324066 488337590 /nfs/dbraw/zinc/33/75/90/488337590.db2.gz NLRFEWGVXBJDFK-UHFFFAOYSA-N 1 2 236.384 3.203 20 0 BGADLO CC(C)(C)c1nc(C[N@H+]2CC=CCC2)cs1 ZINC000679324066 488337588 /nfs/dbraw/zinc/33/75/88/488337588.db2.gz NLRFEWGVXBJDFK-UHFFFAOYSA-N 1 2 236.384 3.203 20 0 BGADLO c1csc(-c2cnc(C[N@@H+]3CC=CCC3)o2)c1 ZINC000679324106 488337660 /nfs/dbraw/zinc/33/76/60/488337660.db2.gz PMGWGTZDGGRLPS-UHFFFAOYSA-N 1 2 246.335 3.165 20 0 BGADLO c1csc(-c2cnc(C[N@H+]3CC=CCC3)o2)c1 ZINC000679324106 488337658 /nfs/dbraw/zinc/33/76/58/488337658.db2.gz PMGWGTZDGGRLPS-UHFFFAOYSA-N 1 2 246.335 3.165 20 0 BGADLO CC(C)c1nc(C[N@@H+]2CC=CCC2)cs1 ZINC000679324536 488333727 /nfs/dbraw/zinc/33/37/27/488333727.db2.gz VXRAOWMLMPSTFW-UHFFFAOYSA-N 1 2 222.357 3.028 20 0 BGADLO CC(C)c1nc(C[N@H+]2CC=CCC2)cs1 ZINC000679324536 488333726 /nfs/dbraw/zinc/33/37/26/488333726.db2.gz VXRAOWMLMPSTFW-UHFFFAOYSA-N 1 2 222.357 3.028 20 0 BGADLO Fc1ccc(Cl)cc1C[N@@H+]1CC=CCC1 ZINC000679357279 488344016 /nfs/dbraw/zinc/34/40/16/488344016.db2.gz BUSHKZPFMIKLPH-UHFFFAOYSA-N 1 2 225.694 3.241 20 0 BGADLO Fc1ccc(Cl)cc1C[N@H+]1CC=CCC1 ZINC000679357279 488344015 /nfs/dbraw/zinc/34/40/15/488344015.db2.gz BUSHKZPFMIKLPH-UHFFFAOYSA-N 1 2 225.694 3.241 20 0 BGADLO Fc1c(Cl)cccc1C[N@@H+]1CC=CCC1 ZINC000679357300 488344020 /nfs/dbraw/zinc/34/40/20/488344020.db2.gz FLQWYYYDJGFAEI-UHFFFAOYSA-N 1 2 225.694 3.241 20 0 BGADLO Fc1c(Cl)cccc1C[N@H+]1CC=CCC1 ZINC000679357300 488344019 /nfs/dbraw/zinc/34/40/19/488344019.db2.gz FLQWYYYDJGFAEI-UHFFFAOYSA-N 1 2 225.694 3.241 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C[C@H]1F ZINC000679359956 488346020 /nfs/dbraw/zinc/34/60/20/488346020.db2.gz SYQDMGOOLYZXLS-NOZJJQNGSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C[C@H]1F ZINC000679359956 488346018 /nfs/dbraw/zinc/34/60/18/488346018.db2.gz SYQDMGOOLYZXLS-NOZJJQNGSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C[C@@H]1F ZINC000679359957 488346050 /nfs/dbraw/zinc/34/60/50/488346050.db2.gz SYQDMGOOLYZXLS-RNCFNFMXSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C[C@@H]1F ZINC000679359957 488346049 /nfs/dbraw/zinc/34/60/49/488346049.db2.gz SYQDMGOOLYZXLS-RNCFNFMXSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C[C@H]1F ZINC000679360259 488345703 /nfs/dbraw/zinc/34/57/03/488345703.db2.gz SYQDMGOOLYZXLS-TVQRCGJNSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2c(F)cccc2F)C[C@H]1F ZINC000679360259 488345701 /nfs/dbraw/zinc/34/57/01/488345701.db2.gz SYQDMGOOLYZXLS-TVQRCGJNSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C[C@@H]1F ZINC000679360260 488346004 /nfs/dbraw/zinc/34/60/04/488346004.db2.gz SYQDMGOOLYZXLS-ZANVPECISA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2c(F)cccc2F)C[C@@H]1F ZINC000679360260 488346002 /nfs/dbraw/zinc/34/60/02/488346002.db2.gz SYQDMGOOLYZXLS-ZANVPECISA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@H]1F ZINC000679360606 488345906 /nfs/dbraw/zinc/34/59/06/488345906.db2.gz VTQZNBKGRGBMTI-PSASIEDQSA-N 1 2 231.698 3.113 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@H]1F ZINC000679360606 488345903 /nfs/dbraw/zinc/34/59/03/488345903.db2.gz VTQZNBKGRGBMTI-PSASIEDQSA-N 1 2 231.698 3.113 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@@H]1F ZINC000679360607 488346465 /nfs/dbraw/zinc/34/64/65/488346465.db2.gz VTQZNBKGRGBMTI-SCZZXKLOSA-N 1 2 231.698 3.113 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@@H]1F ZINC000679360607 488346463 /nfs/dbraw/zinc/34/64/63/488346463.db2.gz VTQZNBKGRGBMTI-SCZZXKLOSA-N 1 2 231.698 3.113 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@H]1F ZINC000679360610 488346114 /nfs/dbraw/zinc/34/61/14/488346114.db2.gz VTQZNBKGRGBMTI-WCBMZHEXSA-N 1 2 231.698 3.113 20 0 BGADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@H]1F ZINC000679360610 488346112 /nfs/dbraw/zinc/34/61/12/488346112.db2.gz VTQZNBKGRGBMTI-WCBMZHEXSA-N 1 2 231.698 3.113 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@@H]1F ZINC000679360615 488345874 /nfs/dbraw/zinc/34/58/74/488345874.db2.gz VTQZNBKGRGBMTI-WPRPVWTQSA-N 1 2 231.698 3.113 20 0 BGADLO C[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@@H]1F ZINC000679360615 488345871 /nfs/dbraw/zinc/34/58/71/488345871.db2.gz VTQZNBKGRGBMTI-WPRPVWTQSA-N 1 2 231.698 3.113 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1F ZINC000679360990 487940403 /nfs/dbraw/zinc/94/04/03/487940403.db2.gz RMVCLGNBTRJFEM-NOZJJQNGSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1F ZINC000679360990 487940400 /nfs/dbraw/zinc/94/04/00/487940400.db2.gz RMVCLGNBTRJFEM-NOZJJQNGSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@@H]1F ZINC000679360991 487940558 /nfs/dbraw/zinc/94/05/58/487940558.db2.gz RMVCLGNBTRJFEM-RNCFNFMXSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C[C@@H]1F ZINC000679360991 487940553 /nfs/dbraw/zinc/94/05/53/487940553.db2.gz RMVCLGNBTRJFEM-RNCFNFMXSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@H]1F ZINC000679360992 487940647 /nfs/dbraw/zinc/94/06/47/487940647.db2.gz RMVCLGNBTRJFEM-TVQRCGJNSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C[C@H]1F ZINC000679360992 487940643 /nfs/dbraw/zinc/94/06/43/487940643.db2.gz RMVCLGNBTRJFEM-TVQRCGJNSA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C[C@@H]1F ZINC000679360993 487940878 /nfs/dbraw/zinc/94/08/78/487940878.db2.gz RMVCLGNBTRJFEM-ZANVPECISA-N 1 2 243.272 3.145 20 0 BGADLO C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C[C@@H]1F ZINC000679360993 487940871 /nfs/dbraw/zinc/94/08/71/487940871.db2.gz RMVCLGNBTRJFEM-ZANVPECISA-N 1 2 243.272 3.145 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000679364276 488346899 /nfs/dbraw/zinc/34/68/99/488346899.db2.gz VKBABUWXAQKCST-LLVKDONJSA-N 1 2 241.338 3.058 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+]C1(c2ccccc2)CC1 ZINC000679364277 488347082 /nfs/dbraw/zinc/34/70/82/488347082.db2.gz VKBABUWXAQKCST-NSHDSACASA-N 1 2 241.338 3.058 20 0 BGADLO CC1(C)Cc2occc2[C@H]([NH2+]Cc2cocn2)C1 ZINC000679391074 487976697 /nfs/dbraw/zinc/97/66/97/487976697.db2.gz GXKDZBJVJMJMBC-GFCCVEGCSA-N 1 2 246.310 3.071 20 0 BGADLO CC1(C)Cc2occc2[C@@H]([NH2+]Cc2cocn2)C1 ZINC000679391079 487976717 /nfs/dbraw/zinc/97/67/17/487976717.db2.gz GXKDZBJVJMJMBC-LBPRGKRZSA-N 1 2 246.310 3.071 20 0 BGADLO CSc1ccc(NCc2ccc(O)cc2)[nH+]c1 ZINC000679395037 488350110 /nfs/dbraw/zinc/35/01/10/488350110.db2.gz VYVJAFZKUIFXHM-UHFFFAOYSA-N 1 2 246.335 3.121 20 0 BGADLO C[C@@H]1CC[C@@H](C(F)(F)F)CN1c1cccc[nH+]1 ZINC000679478088 488353915 /nfs/dbraw/zinc/35/39/15/488353915.db2.gz TVWXGQBYCQIHQN-NXEZZACHSA-N 1 2 244.260 3.249 20 0 BGADLO C[C@H]1CC[C@H](C(F)(F)F)CN1c1cccc[nH+]1 ZINC000679478090 488353791 /nfs/dbraw/zinc/35/37/91/488353791.db2.gz TVWXGQBYCQIHQN-UWVGGRQHSA-N 1 2 244.260 3.249 20 0 BGADLO C[C@H]1CC[C@@H](C(F)(F)F)CN1c1cccc[nH+]1 ZINC000679478091 488353999 /nfs/dbraw/zinc/35/39/99/488353999.db2.gz TVWXGQBYCQIHQN-VHSXEESVSA-N 1 2 244.260 3.249 20 0 BGADLO C[C@@H]1CC[C@H](C(F)(F)F)CN1c1cccc[nH+]1 ZINC000679478092 488353959 /nfs/dbraw/zinc/35/39/59/488353959.db2.gz TVWXGQBYCQIHQN-ZJUUUORDSA-N 1 2 244.260 3.249 20 0 BGADLO FC(F)C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000679545395 488357957 /nfs/dbraw/zinc/35/79/57/488357957.db2.gz MTMOVDSDUGBLBL-LJTDUEICSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000679545395 488357956 /nfs/dbraw/zinc/35/79/56/488357956.db2.gz MTMOVDSDUGBLBL-LJTDUEICSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000679545396 488357606 /nfs/dbraw/zinc/35/76/06/488357606.db2.gz MTMOVDSDUGBLBL-MMQHEFTJSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000679545396 488357605 /nfs/dbraw/zinc/35/76/05/488357605.db2.gz MTMOVDSDUGBLBL-MMQHEFTJSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000679545397 488357932 /nfs/dbraw/zinc/35/79/32/488357932.db2.gz MTMOVDSDUGBLBL-XEHSLEBBSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000679545397 488357931 /nfs/dbraw/zinc/35/79/31/488357931.db2.gz MTMOVDSDUGBLBL-XEHSLEBBSA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000679545398 488357704 /nfs/dbraw/zinc/35/77/04/488357704.db2.gz MTMOVDSDUGBLBL-YXVBKTCISA-N 1 2 237.293 3.429 20 0 BGADLO FC(F)C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000679545398 488357702 /nfs/dbraw/zinc/35/77/02/488357702.db2.gz MTMOVDSDUGBLBL-YXVBKTCISA-N 1 2 237.293 3.429 20 0 BGADLO COc1ccc(N[C@H]2CCCC[C@H]2C2CC2)[nH+]c1 ZINC000679575629 488358860 /nfs/dbraw/zinc/35/88/60/488358860.db2.gz PHLZVILPMHZWKQ-KBPBESRZSA-N 1 2 246.354 3.471 20 0 BGADLO COc1ccc(N[C@H]2CCCC[C@@H]2C2CC2)[nH+]c1 ZINC000679575632 488358814 /nfs/dbraw/zinc/35/88/14/488358814.db2.gz PHLZVILPMHZWKQ-KGLIPLIRSA-N 1 2 246.354 3.471 20 0 BGADLO COc1ccc(N[C@@H]2CCCC[C@H]2C2CC2)[nH+]c1 ZINC000679575634 488358755 /nfs/dbraw/zinc/35/87/55/488358755.db2.gz PHLZVILPMHZWKQ-UONOGXRCSA-N 1 2 246.354 3.471 20 0 BGADLO COc1ccc(N[C@@H]2CCCC[C@@H]2C2CC2)[nH+]c1 ZINC000679575637 487607058 /nfs/dbraw/zinc/60/70/58/487607058.db2.gz PHLZVILPMHZWKQ-ZIAGYGMSSA-N 1 2 246.354 3.471 20 0 BGADLO CCC[C@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000679837236 488367028 /nfs/dbraw/zinc/36/70/28/488367028.db2.gz DRKPRFKWLKSNOG-JTQLQIEISA-N 1 2 233.359 3.264 20 0 BGADLO CCC[C@@H](C)Nc1nc(C)[nH+]c2c1CCCC2 ZINC000679837237 488366908 /nfs/dbraw/zinc/36/69/08/488366908.db2.gz DRKPRFKWLKSNOG-SNVBAGLBSA-N 1 2 233.359 3.264 20 0 BGADLO Cc1nc(NC[C@H](C)C2CC2)c2c([nH+]1)CCCC2 ZINC000679837709 487898140 /nfs/dbraw/zinc/89/81/40/487898140.db2.gz ZQUQZBIHIFNTBQ-JTQLQIEISA-N 1 2 245.370 3.122 20 0 BGADLO Cc1nc(NC[C@@H](C)C2CC2)c2c([nH+]1)CCCC2 ZINC000679837710 487898316 /nfs/dbraw/zinc/89/83/16/487898316.db2.gz ZQUQZBIHIFNTBQ-SNVBAGLBSA-N 1 2 245.370 3.122 20 0 BGADLO CCc1cc(N2C3CCCC2CCC3)nc(C)[nH+]1 ZINC000679838801 488367841 /nfs/dbraw/zinc/36/78/41/488367841.db2.gz QANQBPLNOSBOFD-UHFFFAOYSA-N 1 2 245.370 3.259 20 0 BGADLO c1csc(CNc2c[nH+]c3c(c2)CCCC3)n1 ZINC000679842822 488368196 /nfs/dbraw/zinc/36/81/96/488368196.db2.gz LPRGIASPSJWQRV-UHFFFAOYSA-N 1 2 245.351 3.029 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cnccc2C)o1 ZINC000679939947 487498555 /nfs/dbraw/zinc/49/85/55/487498555.db2.gz HTAVITAZEYQLTE-NEPJUHHUSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cnccc2C)o1 ZINC000679939948 487498631 /nfs/dbraw/zinc/49/86/31/487498631.db2.gz HTAVITAZEYQLTE-NWDGAFQWSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cnccc2C)o1 ZINC000679939949 487498024 /nfs/dbraw/zinc/49/80/24/487498024.db2.gz HTAVITAZEYQLTE-RYUDHWBXSA-N 1 2 245.326 3.098 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cnccc2C)o1 ZINC000679939951 487498688 /nfs/dbraw/zinc/49/86/88/487498688.db2.gz HTAVITAZEYQLTE-VXGBXAGGSA-N 1 2 245.326 3.098 20 0 BGADLO FC1(F)CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000679999930 487512456 /nfs/dbraw/zinc/51/24/56/487512456.db2.gz WQNOQTVPWLRTSN-UHFFFAOYSA-N 1 2 248.276 3.076 20 0 BGADLO FC1(F)CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000679999930 487512450 /nfs/dbraw/zinc/51/24/50/487512450.db2.gz WQNOQTVPWLRTSN-UHFFFAOYSA-N 1 2 248.276 3.076 20 0 BGADLO CC[C@@H](C)CCCCC(=O)Nc1cc[nH+]cc1C ZINC000680031204 487522217 /nfs/dbraw/zinc/52/22/17/487522217.db2.gz CNNHXMXETNCCEP-GFCCVEGCSA-N 1 2 248.370 3.357 20 0 BGADLO CC[C@H](C)CCCCC(=O)Nc1cc[nH+]cc1C ZINC000680031205 487522327 /nfs/dbraw/zinc/52/23/27/487522327.db2.gz CNNHXMXETNCCEP-LBPRGKRZSA-N 1 2 248.370 3.357 20 0 BGADLO Cc1ccc([C@@H]2CC[N@@H+](CC(F)F)C2)cc1 ZINC000680108141 487537124 /nfs/dbraw/zinc/53/71/24/487537124.db2.gz WHJVENLOPCYKPC-GFCCVEGCSA-N 1 2 225.282 3.049 20 0 BGADLO Cc1ccc([C@@H]2CC[N@H+](CC(F)F)C2)cc1 ZINC000680108141 487537119 /nfs/dbraw/zinc/53/71/19/487537119.db2.gz WHJVENLOPCYKPC-GFCCVEGCSA-N 1 2 225.282 3.049 20 0 BGADLO Cc1ccc([C@H]2CC[N@@H+](CC(F)F)C2)cc1 ZINC000680108142 487536733 /nfs/dbraw/zinc/53/67/33/487536733.db2.gz WHJVENLOPCYKPC-LBPRGKRZSA-N 1 2 225.282 3.049 20 0 BGADLO Cc1ccc([C@H]2CC[N@H+](CC(F)F)C2)cc1 ZINC000680108142 487536728 /nfs/dbraw/zinc/53/67/28/487536728.db2.gz WHJVENLOPCYKPC-LBPRGKRZSA-N 1 2 225.282 3.049 20 0 BGADLO COc1ccc(N[C@H](C)CCC(F)(F)F)[nH+]c1 ZINC000680332591 487566052 /nfs/dbraw/zinc/56/60/52/487566052.db2.gz LNZUBCYMLLJAQK-MRVPVSSYSA-N 1 2 248.248 3.233 20 0 BGADLO COc1ccc(N[C@@H](C)CCC(F)(F)F)[nH+]c1 ZINC000680332592 487565821 /nfs/dbraw/zinc/56/58/21/487565821.db2.gz LNZUBCYMLLJAQK-QMMMGPOBSA-N 1 2 248.248 3.233 20 0 BGADLO CC(C)c1cnc(C[N@@H+]2CC=CCC2)s1 ZINC000680334657 487566812 /nfs/dbraw/zinc/56/68/12/487566812.db2.gz MLEZEJKJHCBYKC-UHFFFAOYSA-N 1 2 222.357 3.028 20 0 BGADLO CC(C)c1cnc(C[N@H+]2CC=CCC2)s1 ZINC000680334657 487566806 /nfs/dbraw/zinc/56/68/06/487566806.db2.gz MLEZEJKJHCBYKC-UHFFFAOYSA-N 1 2 222.357 3.028 20 0 BGADLO CC[N@@H+](CCc1ccc(C)cc1)CC(F)F ZINC000680430458 487593026 /nfs/dbraw/zinc/59/30/26/487593026.db2.gz CYEJMOUEXOKFDV-UHFFFAOYSA-N 1 2 227.298 3.125 20 0 BGADLO CC[N@H+](CCc1ccc(C)cc1)CC(F)F ZINC000680430458 487593017 /nfs/dbraw/zinc/59/30/17/487593017.db2.gz CYEJMOUEXOKFDV-UHFFFAOYSA-N 1 2 227.298 3.125 20 0 BGADLO Cc1ccc([C@@H]([NH2+]Cc2cocn2)C2CCC2)o1 ZINC000680467830 487600964 /nfs/dbraw/zinc/60/09/64/487600964.db2.gz ULVRAVHQAQZUDD-AWEZNQCLSA-N 1 2 246.310 3.207 20 0 BGADLO Cc1ccc([C@H]([NH2+]Cc2cocn2)C2CCC2)o1 ZINC000680467831 487600875 /nfs/dbraw/zinc/60/08/75/487600875.db2.gz ULVRAVHQAQZUDD-CQSZACIVSA-N 1 2 246.310 3.207 20 0 BGADLO CCc1cc(N[C@H](CC)CC(F)(F)F)nc[nH+]1 ZINC000680624302 487623465 /nfs/dbraw/zinc/62/34/65/487623465.db2.gz HUOVHHSXJWOJNF-SECBINFHSA-N 1 2 247.264 3.182 20 0 BGADLO CCc1cc(N[C@@H](CC)CC(F)(F)F)nc[nH+]1 ZINC000680624303 487623887 /nfs/dbraw/zinc/62/38/87/487623887.db2.gz HUOVHHSXJWOJNF-VIFPVBQESA-N 1 2 247.264 3.182 20 0 BGADLO CCN(CCC1CC1)c1cc[nH+]c(C(C)(C)C)n1 ZINC000680626024 487623822 /nfs/dbraw/zinc/62/38/22/487623822.db2.gz UFMKOVFPWYGFRD-UHFFFAOYSA-N 1 2 247.386 3.401 20 0 BGADLO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1cn[nH]c1C ZINC000680637869 487625984 /nfs/dbraw/zinc/62/59/84/487625984.db2.gz UTLGOGBYMLLRFA-APPZFPTMSA-N 1 2 249.280 3.100 20 0 BGADLO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000680637870 487625998 /nfs/dbraw/zinc/62/59/98/487625998.db2.gz UTLGOGBYMLLRFA-CBAPKCEASA-N 1 2 249.280 3.100 20 0 BGADLO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cn[nH]c1C ZINC000680637872 487626614 /nfs/dbraw/zinc/62/66/14/487626614.db2.gz UTLGOGBYMLLRFA-IONNQARKSA-N 1 2 249.280 3.100 20 0 BGADLO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cn[nH]c1C ZINC000680637873 487626164 /nfs/dbraw/zinc/62/61/64/487626164.db2.gz UTLGOGBYMLLRFA-VXNVDRBHSA-N 1 2 249.280 3.100 20 0 BGADLO Cc1cc(OCC(F)F)c2cccc(C)c2[nH+]1 ZINC000680971656 487685151 /nfs/dbraw/zinc/68/51/51/487685151.db2.gz MFVYPABTRIAYPD-UHFFFAOYSA-N 1 2 237.249 3.496 20 0 BGADLO CCc1cc(OCC(F)F)c2ccccc2[nH+]1 ZINC000680972085 487684900 /nfs/dbraw/zinc/68/49/00/487684900.db2.gz XFLHPUQMMPGFJT-UHFFFAOYSA-N 1 2 237.249 3.441 20 0 BGADLO CCC(C)(CC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681000476 487691705 /nfs/dbraw/zinc/69/17/05/487691705.db2.gz OYNRJPFIOCZDLZ-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO CCC(C)(CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000681000899 487686267 /nfs/dbraw/zinc/68/62/67/487686267.db2.gz FOJXXXZEDGXZSH-UHFFFAOYSA-N 1 2 234.343 3.463 20 0 BGADLO CC/C=C\CC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000681018419 487695592 /nfs/dbraw/zinc/69/55/92/487695592.db2.gz BKYLUVSILYNNRF-DSYXLKISSA-N 1 2 249.358 3.261 20 0 BGADLO CC/C=C\CC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000681018419 487695581 /nfs/dbraw/zinc/69/55/81/487695581.db2.gz BKYLUVSILYNNRF-DSYXLKISSA-N 1 2 249.358 3.261 20 0 BGADLO CC/C=C\CC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000681018420 487695884 /nfs/dbraw/zinc/69/58/84/487695884.db2.gz BKYLUVSILYNNRF-ZFDPJTLLSA-N 1 2 249.358 3.261 20 0 BGADLO CC/C=C\CC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000681018420 487695880 /nfs/dbraw/zinc/69/58/80/487695880.db2.gz BKYLUVSILYNNRF-ZFDPJTLLSA-N 1 2 249.358 3.261 20 0 BGADLO CC/C=C\CC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000681021473 487698780 /nfs/dbraw/zinc/69/87/80/487698780.db2.gz UXWQAQQPWXMYHB-DHCBQETCSA-N 1 2 235.327 3.009 20 0 BGADLO CC/C=C\CC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000681021473 487698777 /nfs/dbraw/zinc/69/87/77/487698777.db2.gz UXWQAQQPWXMYHB-DHCBQETCSA-N 1 2 235.327 3.009 20 0 BGADLO CC/C=C\CC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000681021475 487698941 /nfs/dbraw/zinc/69/89/41/487698941.db2.gz UXWQAQQPWXMYHB-SCOBNMCVSA-N 1 2 235.327 3.009 20 0 BGADLO CC/C=C\CC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000681021475 487698935 /nfs/dbraw/zinc/69/89/35/487698935.db2.gz UXWQAQQPWXMYHB-SCOBNMCVSA-N 1 2 235.327 3.009 20 0 BGADLO CC1(C)C[NH+](CC(F)F)CC(C)(C)C1 ZINC000681035497 487702584 /nfs/dbraw/zinc/70/25/84/487702584.db2.gz LIJIJWWNWDMNOK-UHFFFAOYSA-N 1 2 205.292 3.010 20 0 BGADLO Cc1nc(C[NH2+][C@@H](C)c2cncc(C)c2)cs1 ZINC000681052914 487708369 /nfs/dbraw/zinc/70/83/69/487708369.db2.gz YTDYRZVFKKBTCW-JTQLQIEISA-N 1 2 247.367 3.006 20 0 BGADLO Cc1nc(C[NH2+][C@H](C)c2cncc(C)c2)cs1 ZINC000681052915 487708146 /nfs/dbraw/zinc/70/81/46/487708146.db2.gz YTDYRZVFKKBTCW-SNVBAGLBSA-N 1 2 247.367 3.006 20 0 BGADLO CCSc1cccc(C[NH2+]Cc2ccon2)c1 ZINC000681132900 487735988 /nfs/dbraw/zinc/73/59/88/487735988.db2.gz DKGRNBVZVMVYTR-UHFFFAOYSA-N 1 2 248.351 3.076 20 0 BGADLO FC1=CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000681164098 487739933 /nfs/dbraw/zinc/73/99/33/487739933.db2.gz BXPJOANNEDGXMX-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO FC1=CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000681164098 487739927 /nfs/dbraw/zinc/73/99/27/487739927.db2.gz BXPJOANNEDGXMX-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO Clc1cnc(C[NH+]2CCC3(CC3)CC2)s1 ZINC000681406757 487794131 /nfs/dbraw/zinc/79/41/31/487794131.db2.gz BUJYOMAPDXPHTD-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO Fc1c[nH+]ccc1NCc1ccccc1C1CC1 ZINC000681547696 487812163 /nfs/dbraw/zinc/81/21/63/487812163.db2.gz ADWLPFPXPGLUKD-UHFFFAOYSA-N 1 2 242.297 3.132 20 0 BGADLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(F)F ZINC000681686223 487840424 /nfs/dbraw/zinc/84/04/24/487840424.db2.gz SFWUKJVRVKUOJI-GFCCVEGCSA-N 1 2 243.297 3.343 20 0 BGADLO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC(F)F ZINC000681686223 487840422 /nfs/dbraw/zinc/84/04/22/487840422.db2.gz SFWUKJVRVKUOJI-GFCCVEGCSA-N 1 2 243.297 3.343 20 0 BGADLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(F)F ZINC000681686340 487840256 /nfs/dbraw/zinc/84/02/56/487840256.db2.gz SFWUKJVRVKUOJI-LBPRGKRZSA-N 1 2 243.297 3.343 20 0 BGADLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC(F)F ZINC000681686340 487840255 /nfs/dbraw/zinc/84/02/55/487840255.db2.gz SFWUKJVRVKUOJI-LBPRGKRZSA-N 1 2 243.297 3.343 20 0 BGADLO Cc1ccccc1C[C@@H](C)[N@@H+](C)CC(F)F ZINC000681686625 487840497 /nfs/dbraw/zinc/84/04/97/487840497.db2.gz ZLZNUDMEVZWRJL-LLVKDONJSA-N 1 2 227.298 3.123 20 0 BGADLO Cc1ccccc1C[C@@H](C)[N@H+](C)CC(F)F ZINC000681686625 487840494 /nfs/dbraw/zinc/84/04/94/487840494.db2.gz ZLZNUDMEVZWRJL-LLVKDONJSA-N 1 2 227.298 3.123 20 0 BGADLO Cc1ccccc1C[C@H](C)[N@@H+](C)CC(F)F ZINC000681686642 487840671 /nfs/dbraw/zinc/84/06/71/487840671.db2.gz ZLZNUDMEVZWRJL-NSHDSACASA-N 1 2 227.298 3.123 20 0 BGADLO Cc1ccccc1C[C@H](C)[N@H+](C)CC(F)F ZINC000681686642 487840667 /nfs/dbraw/zinc/84/06/67/487840667.db2.gz ZLZNUDMEVZWRJL-NSHDSACASA-N 1 2 227.298 3.123 20 0 BGADLO COc1cccc2c(N3CC=CCC3)cc[nH+]c12 ZINC000681983557 487875121 /nfs/dbraw/zinc/87/51/21/487875121.db2.gz LWOPAMCLPTWCKK-UHFFFAOYSA-N 1 2 240.306 3.010 20 0 BGADLO CCc1cc(NC(C)(C)CC(F)(F)F)nc[nH+]1 ZINC000681998782 487876643 /nfs/dbraw/zinc/87/66/43/487876643.db2.gz NRAYZEQNXMPGMU-UHFFFAOYSA-N 1 2 247.264 3.182 20 0 BGADLO Fc1cc(Cl)ccc1C[N@@H+]1CC=CCC1 ZINC000682029773 487884023 /nfs/dbraw/zinc/88/40/23/487884023.db2.gz WGXGLEIRCIJXBV-UHFFFAOYSA-N 1 2 225.694 3.241 20 0 BGADLO Fc1cc(Cl)ccc1C[N@H+]1CC=CCC1 ZINC000682029773 487884021 /nfs/dbraw/zinc/88/40/21/487884021.db2.gz WGXGLEIRCIJXBV-UHFFFAOYSA-N 1 2 225.694 3.241 20 0 BGADLO FC1(F)CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682075234 487898108 /nfs/dbraw/zinc/89/81/08/487898108.db2.gz GDRSWBFBCMCRFP-GFCCVEGCSA-N 1 2 223.266 3.015 20 0 BGADLO FC1(F)CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000682075234 487898104 /nfs/dbraw/zinc/89/81/04/487898104.db2.gz GDRSWBFBCMCRFP-GFCCVEGCSA-N 1 2 223.266 3.015 20 0 BGADLO FC1(F)CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000682075235 487897446 /nfs/dbraw/zinc/89/74/46/487897446.db2.gz GDRSWBFBCMCRFP-LBPRGKRZSA-N 1 2 223.266 3.015 20 0 BGADLO FC1(F)CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000682075235 487897441 /nfs/dbraw/zinc/89/74/41/487897441.db2.gz GDRSWBFBCMCRFP-LBPRGKRZSA-N 1 2 223.266 3.015 20 0 BGADLO CCc1ccccc1C[N@H+]1CCC[C@H]1C(F)F ZINC000682086453 487907290 /nfs/dbraw/zinc/90/72/90/487907290.db2.gz YRVAKFXZMMSCOM-ZDUSSCGKSA-N 1 2 239.309 3.479 20 0 BGADLO CCc1ccccc1C[N@@H+]1CCC[C@H]1C(F)F ZINC000682086453 487907283 /nfs/dbraw/zinc/90/72/83/487907283.db2.gz YRVAKFXZMMSCOM-ZDUSSCGKSA-N 1 2 239.309 3.479 20 0 BGADLO COc1ccc2[nH+]c(NC[C@H]3C[C@@H]3C)ccc2c1 ZINC000682393842 487946169 /nfs/dbraw/zinc/94/61/69/487946169.db2.gz USEXRPZKTGKRRQ-CMPLNLGQSA-N 1 2 242.322 3.311 20 0 BGADLO COc1ccc2[nH+]c(NC[C@@H]3C[C@@H]3C)ccc2c1 ZINC000682393843 487946101 /nfs/dbraw/zinc/94/61/01/487946101.db2.gz USEXRPZKTGKRRQ-JQWIXIFHSA-N 1 2 242.322 3.311 20 0 BGADLO COc1ccc2[nH+]c(NC[C@@H]3C[C@H]3C)ccc2c1 ZINC000682393844 487946378 /nfs/dbraw/zinc/94/63/78/487946378.db2.gz USEXRPZKTGKRRQ-PWSUYJOCSA-N 1 2 242.322 3.311 20 0 BGADLO COc1ccc2[nH+]c(NC[C@H]3C[C@H]3C)ccc2c1 ZINC000682393845 487946286 /nfs/dbraw/zinc/94/62/86/487946286.db2.gz USEXRPZKTGKRRQ-ZYHUDNBSSA-N 1 2 242.322 3.311 20 0 BGADLO c1c[nH+]c(-c2cccc(-c3ccccn3)c2)[nH]1 ZINC000682413346 487951927 /nfs/dbraw/zinc/95/19/27/487951927.db2.gz BGGCDYXKYINNIK-UHFFFAOYSA-N 1 2 221.263 3.139 20 0 BGADLO Cc1cc(C)nc(SCCCn2cc[nH+]c2)c1 ZINC000682453736 487966615 /nfs/dbraw/zinc/96/66/15/487966615.db2.gz VCWWVAYAIRZEFR-UHFFFAOYSA-N 1 2 247.367 3.077 20 0 BGADLO CCc1cccc(C[N@H+]2CCC[C@H]2C(F)F)c1 ZINC000682531349 487977221 /nfs/dbraw/zinc/97/72/21/487977221.db2.gz CMZNLXQHOVYIHA-ZDUSSCGKSA-N 1 2 239.309 3.479 20 0 BGADLO CCc1cccc(C[N@@H+]2CCC[C@H]2C(F)F)c1 ZINC000682531349 487977218 /nfs/dbraw/zinc/97/72/18/487977218.db2.gz CMZNLXQHOVYIHA-ZDUSSCGKSA-N 1 2 239.309 3.479 20 0 BGADLO CC[N@H+](Cc1ccc2[nH]ccc2c1)CC(F)F ZINC000682548934 488117567 /nfs/dbraw/zinc/11/75/67/488117567.db2.gz ACJSXWLFSJKOLT-UHFFFAOYSA-N 1 2 238.281 3.255 20 0 BGADLO CC[N@@H+](Cc1ccc2[nH]ccc2c1)CC(F)F ZINC000682548934 488117562 /nfs/dbraw/zinc/11/75/62/488117562.db2.gz ACJSXWLFSJKOLT-UHFFFAOYSA-N 1 2 238.281 3.255 20 0 BGADLO Cc1[nH+]cccc1NC1CCC2(CCCO2)CC1 ZINC000682642649 488004657 /nfs/dbraw/zinc/00/46/57/488004657.db2.gz ZASWLRGSCVCZCQ-UHFFFAOYSA-N 1 2 246.354 3.294 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1cc(C)ns1 ZINC000682672535 488009152 /nfs/dbraw/zinc/00/91/52/488009152.db2.gz CUHYXHISGMVUIR-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1cc(C)ns1 ZINC000682672535 488009148 /nfs/dbraw/zinc/00/91/48/488009148.db2.gz CUHYXHISGMVUIR-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CCCC[NH2+]c1ccc(-n2cccn2)cc1C ZINC000682709170 488023868 /nfs/dbraw/zinc/02/38/68/488023868.db2.gz CWWZUNQPDREIGM-UHFFFAOYSA-N 1 2 229.327 3.393 20 0 BGADLO Cc1cc(-n2cccn2)ccc1[NH2+]CC1CCC1 ZINC000682710323 488025015 /nfs/dbraw/zinc/02/50/15/488025015.db2.gz PVDPANWZJKRXSF-UHFFFAOYSA-N 1 2 241.338 3.393 20 0 BGADLO Cc1cc(-n2cccn2)ccc1[NH2+]CCC1CC1 ZINC000682710344 488025353 /nfs/dbraw/zinc/02/53/53/488025353.db2.gz RNSPDSWVWFKXLY-UHFFFAOYSA-N 1 2 241.338 3.393 20 0 BGADLO Cc1cc(-n2cccn2)ccc1[NH2+]CC(C)C ZINC000682711132 488025430 /nfs/dbraw/zinc/02/54/30/488025430.db2.gz XZAJZKOLQLBPIL-UHFFFAOYSA-N 1 2 229.327 3.249 20 0 BGADLO COc1ccc(N[C@@H]2CCC23CCCC3)[nH+]c1 ZINC000682733993 488028278 /nfs/dbraw/zinc/02/82/78/488028278.db2.gz JTFUPGASLJBXJJ-GFCCVEGCSA-N 1 2 232.327 3.225 20 0 BGADLO COc1ccc(N[C@H]2CCC23CCCC3)[nH+]c1 ZINC000682733995 488028779 /nfs/dbraw/zinc/02/87/79/488028779.db2.gz JTFUPGASLJBXJJ-LBPRGKRZSA-N 1 2 232.327 3.225 20 0 BGADLO Cc1cc(C[N@H+](C)[C@H](C)c2ccccn2)sn1 ZINC000682805317 488042726 /nfs/dbraw/zinc/04/27/26/488042726.db2.gz DKDOIBXOQXARNB-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@H](C)c2ccccn2)sn1 ZINC000682805317 488042724 /nfs/dbraw/zinc/04/27/24/488042724.db2.gz DKDOIBXOQXARNB-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cc(C[N@H+](C)[C@@H](C)c2ccccn2)sn1 ZINC000682805318 488043150 /nfs/dbraw/zinc/04/31/50/488043150.db2.gz DKDOIBXOQXARNB-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)sn1 ZINC000682805318 488043144 /nfs/dbraw/zinc/04/31/44/488043144.db2.gz DKDOIBXOQXARNB-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1cc(C)ccn1 ZINC000682885855 488059372 /nfs/dbraw/zinc/05/93/72/488059372.db2.gz XTTDLFYTONIWIH-UHFFFAOYSA-N 1 2 242.322 3.235 20 0 BGADLO Cc1ccnc(C[N@H+](C)Cc2ccccc2F)c1 ZINC000683000664 488082981 /nfs/dbraw/zinc/08/29/81/488082981.db2.gz DOSXFLCXAJVFCS-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1ccnc(C[N@@H+](C)Cc2ccccc2F)c1 ZINC000683000664 488082976 /nfs/dbraw/zinc/08/29/76/488082976.db2.gz DOSXFLCXAJVFCS-UHFFFAOYSA-N 1 2 244.313 3.161 20 0 BGADLO Cc1csc([C@@H](C)[NH2+]Cc2cc(C)ccn2)n1 ZINC000683021925 488097388 /nfs/dbraw/zinc/09/73/88/488097388.db2.gz OEVKXKCUMKOZCC-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1csc([C@H](C)[NH2+]Cc2cc(C)ccn2)n1 ZINC000683021926 488098008 /nfs/dbraw/zinc/09/80/08/488098008.db2.gz OEVKXKCUMKOZCC-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO CC[C@@H]([NH2+]Cc1cc(C)ccn1)c1nccs1 ZINC000683022013 488098229 /nfs/dbraw/zinc/09/82/29/488098229.db2.gz QCOOAUNFUVRVGZ-GFCCVEGCSA-N 1 2 247.367 3.087 20 0 BGADLO CC[C@H]([NH2+]Cc1cc(C)ccn1)c1nccs1 ZINC000683022016 488097261 /nfs/dbraw/zinc/09/72/61/488097261.db2.gz QCOOAUNFUVRVGZ-LBPRGKRZSA-N 1 2 247.367 3.087 20 0 BGADLO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C)ccn2)s1 ZINC000683022341 488097249 /nfs/dbraw/zinc/09/72/49/488097249.db2.gz GTDGHCLQKWMVAL-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cnc([C@H](C)[NH2+]Cc2cc(C)ccn2)s1 ZINC000683022343 488098088 /nfs/dbraw/zinc/09/80/88/488098088.db2.gz GTDGHCLQKWMVAL-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO CC(C)(CNc1cc[nH+]cc1F)c1ccccc1 ZINC000683069707 488105548 /nfs/dbraw/zinc/10/55/48/488105548.db2.gz OOQLWYHLUPGKLF-UHFFFAOYSA-N 1 2 244.313 3.032 20 0 BGADLO CCCc1ccc(CNc2cc[nH+]cc2F)cc1 ZINC000683069812 488105370 /nfs/dbraw/zinc/10/53/70/488105370.db2.gz QVAAZFQPSAXSLZ-UHFFFAOYSA-N 1 2 244.313 3.207 20 0 BGADLO Cc1cc(OCC(F)F)c2ccccc2[nH+]1 ZINC000683072907 487612367 /nfs/dbraw/zinc/61/23/67/487612367.db2.gz LOBMZLHJTAIGAO-UHFFFAOYSA-N 1 2 223.222 3.187 20 0 BGADLO Cc1cc(OCc2ccno2)c2ccccc2[nH+]1 ZINC000683073348 488104930 /nfs/dbraw/zinc/10/49/30/488104930.db2.gz VMCZTCJYMTXKEV-UHFFFAOYSA-N 1 2 240.262 3.110 20 0 BGADLO COc1ccc(NC2CCC3(CC3)CC2)[nH+]c1 ZINC000683107589 488105561 /nfs/dbraw/zinc/10/55/61/488105561.db2.gz PGXXWCKUHXJHMI-UHFFFAOYSA-N 1 2 232.327 3.225 20 0 BGADLO C[C@H]1C[C@@H]1C[N@H+]1Cc2ccccc2C(F)(F)C1 ZINC000683108255 488109953 /nfs/dbraw/zinc/10/99/53/488109953.db2.gz AXQMEAQKBXHYRZ-CMPLNLGQSA-N 1 2 237.293 3.250 20 0 BGADLO C[C@H]1C[C@@H]1C[N@@H+]1Cc2ccccc2C(F)(F)C1 ZINC000683108255 488109949 /nfs/dbraw/zinc/10/99/49/488109949.db2.gz AXQMEAQKBXHYRZ-CMPLNLGQSA-N 1 2 237.293 3.250 20 0 BGADLO C[C@H]1C[C@H]1C[N@H+]1Cc2ccccc2C(F)(F)C1 ZINC000683108256 488110419 /nfs/dbraw/zinc/11/04/19/488110419.db2.gz AXQMEAQKBXHYRZ-JQWIXIFHSA-N 1 2 237.293 3.250 20 0 BGADLO C[C@H]1C[C@H]1C[N@@H+]1Cc2ccccc2C(F)(F)C1 ZINC000683108256 488110414 /nfs/dbraw/zinc/11/04/14/488110414.db2.gz AXQMEAQKBXHYRZ-JQWIXIFHSA-N 1 2 237.293 3.250 20 0 BGADLO C[C@@H]1C[C@H]1C[N@H+]1Cc2ccccc2C(F)(F)C1 ZINC000683108260 488110061 /nfs/dbraw/zinc/11/00/61/488110061.db2.gz AXQMEAQKBXHYRZ-PWSUYJOCSA-N 1 2 237.293 3.250 20 0 BGADLO C[C@@H]1C[C@H]1C[N@@H+]1Cc2ccccc2C(F)(F)C1 ZINC000683108260 488110058 /nfs/dbraw/zinc/11/00/58/488110058.db2.gz AXQMEAQKBXHYRZ-PWSUYJOCSA-N 1 2 237.293 3.250 20 0 BGADLO C[C@@H]1C[C@@H]1C[N@H+]1Cc2ccccc2C(F)(F)C1 ZINC000683108263 488110691 /nfs/dbraw/zinc/11/06/91/488110691.db2.gz AXQMEAQKBXHYRZ-ZYHUDNBSSA-N 1 2 237.293 3.250 20 0 BGADLO C[C@@H]1C[C@@H]1C[N@@H+]1Cc2ccccc2C(F)(F)C1 ZINC000683108263 488110689 /nfs/dbraw/zinc/11/06/89/488110689.db2.gz AXQMEAQKBXHYRZ-ZYHUDNBSSA-N 1 2 237.293 3.250 20 0 BGADLO Cc1cc(-n2cccn2)ccc1[NH2+]C[C@@H]1C[C@@H]1C ZINC000683108532 488110628 /nfs/dbraw/zinc/11/06/28/488110628.db2.gz HTTXCDZAZDFIOJ-AAEUAGOBSA-N 1 2 241.338 3.249 20 0 BGADLO Cc1cc(-n2cccn2)ccc1[NH2+]C[C@H]1C[C@H]1C ZINC000683108535 487613291 /nfs/dbraw/zinc/61/32/91/487613291.db2.gz HTTXCDZAZDFIOJ-DGCLKSJQSA-N 1 2 241.338 3.249 20 0 BGADLO Cc1cc(-n2cccn2)ccc1[NH2+]C[C@H]1C[C@@H]1C ZINC000683108538 487613834 /nfs/dbraw/zinc/61/38/34/487613834.db2.gz HTTXCDZAZDFIOJ-WCQYABFASA-N 1 2 241.338 3.249 20 0 BGADLO Cc1cc(-n2cccn2)ccc1[NH2+]C[C@@H]1C[C@H]1C ZINC000683108540 487613640 /nfs/dbraw/zinc/61/36/40/487613640.db2.gz HTTXCDZAZDFIOJ-YPMHNXCESA-N 1 2 241.338 3.249 20 0 BGADLO CCC[N@@H+](Cc1cocn1)Cc1ccccc1F ZINC000683350965 488151627 /nfs/dbraw/zinc/15/16/27/488151627.db2.gz REXLUIBTWXYNQF-UHFFFAOYSA-N 1 2 248.301 3.226 20 0 BGADLO CCC[N@H+](Cc1cocn1)Cc1ccccc1F ZINC000683350965 488151623 /nfs/dbraw/zinc/15/16/23/488151623.db2.gz REXLUIBTWXYNQF-UHFFFAOYSA-N 1 2 248.301 3.226 20 0 BGADLO CC1(C)C[N@@H+](Cc2cocn2)[C@H]1c1ccccc1 ZINC000683352893 488150746 /nfs/dbraw/zinc/15/07/46/488150746.db2.gz LQXRDAAZXUBSNJ-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2cocn2)[C@H]1c1ccccc1 ZINC000683352893 488150741 /nfs/dbraw/zinc/15/07/41/488150741.db2.gz LQXRDAAZXUBSNJ-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@@H+](Cc2cocn2)[C@@H]1c1ccccc1 ZINC000683352894 488150842 /nfs/dbraw/zinc/15/08/42/488150842.db2.gz LQXRDAAZXUBSNJ-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2cocn2)[C@@H]1c1ccccc1 ZINC000683352894 488150839 /nfs/dbraw/zinc/15/08/39/488150839.db2.gz LQXRDAAZXUBSNJ-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO Fc1ccc2nc(C[N@@H+]3CC=CCC3)sc2c1 ZINC000683354472 488152437 /nfs/dbraw/zinc/15/24/37/488152437.db2.gz SBDPHPZVPSFOAK-UHFFFAOYSA-N 1 2 248.326 3.197 20 0 BGADLO Fc1ccc2nc(C[N@H+]3CC=CCC3)sc2c1 ZINC000683354472 488152433 /nfs/dbraw/zinc/15/24/33/488152433.db2.gz SBDPHPZVPSFOAK-UHFFFAOYSA-N 1 2 248.326 3.197 20 0 BGADLO CCc1cc(NC2CCC3(CC3)CC2)nc[nH+]1 ZINC000683395207 488156970 /nfs/dbraw/zinc/15/69/70/488156970.db2.gz YPIZGYRYGAUPPZ-UHFFFAOYSA-N 1 2 231.343 3.174 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2cn[nH]c2)c(Cl)c1 ZINC000683667456 488206490 /nfs/dbraw/zinc/20/64/90/488206490.db2.gz DRMYBPCDQDPDIT-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2cn[nH]c2)c(Cl)c1 ZINC000683667456 488206486 /nfs/dbraw/zinc/20/64/86/488206486.db2.gz DRMYBPCDQDPDIT-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO COc1ccc(N[C@@H]2CCCc3occc32)[nH+]c1 ZINC000683692433 488207909 /nfs/dbraw/zinc/20/79/09/488207909.db2.gz ISBXACZTWUTJNW-GFCCVEGCSA-N 1 2 244.294 3.173 20 0 BGADLO COc1ccc(N[C@H]2CCCc3occc32)[nH+]c1 ZINC000683692437 488207667 /nfs/dbraw/zinc/20/76/67/488207667.db2.gz ISBXACZTWUTJNW-LBPRGKRZSA-N 1 2 244.294 3.173 20 0 BGADLO c1ccc(NCc2ccc3cnccc3c2)[nH+]c1 ZINC000683752212 488215978 /nfs/dbraw/zinc/21/59/78/488215978.db2.gz TZVPXFUJRVHYFG-UHFFFAOYSA-N 1 2 235.290 3.242 20 0 BGADLO CC1(CNc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000683752377 488216293 /nfs/dbraw/zinc/21/62/93/488216293.db2.gz XXCBABKDMSZUGV-UHFFFAOYSA-N 1 2 245.370 3.284 20 0 BGADLO Cc1ccc([C@H]2C[C@H](C)[N@H+](CC(F)F)C2)cc1 ZINC000683799856 488223778 /nfs/dbraw/zinc/22/37/78/488223778.db2.gz FQLAIXYAMFWTIK-AAEUAGOBSA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CC(F)F)C2)cc1 ZINC000683799856 488223775 /nfs/dbraw/zinc/22/37/75/488223775.db2.gz FQLAIXYAMFWTIK-AAEUAGOBSA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(F)F)C2)cc1 ZINC000683799857 488224300 /nfs/dbraw/zinc/22/43/00/488224300.db2.gz FQLAIXYAMFWTIK-DGCLKSJQSA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC(F)F)C2)cc1 ZINC000683799857 488224297 /nfs/dbraw/zinc/22/42/97/488224297.db2.gz FQLAIXYAMFWTIK-DGCLKSJQSA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC(F)F)C2)cc1 ZINC000683799858 488223947 /nfs/dbraw/zinc/22/39/47/488223947.db2.gz FQLAIXYAMFWTIK-WCQYABFASA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(F)F)C2)cc1 ZINC000683799858 488223946 /nfs/dbraw/zinc/22/39/46/488223946.db2.gz FQLAIXYAMFWTIK-WCQYABFASA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC(F)F)C2)cc1 ZINC000683799859 488219375 /nfs/dbraw/zinc/21/93/75/488219375.db2.gz FQLAIXYAMFWTIK-YPMHNXCESA-N 1 2 239.309 3.438 20 0 BGADLO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CC(F)F)C2)cc1 ZINC000683799859 488219368 /nfs/dbraw/zinc/21/93/68/488219368.db2.gz FQLAIXYAMFWTIK-YPMHNXCESA-N 1 2 239.309 3.438 20 0 BGADLO FC1=CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000683836825 488230461 /nfs/dbraw/zinc/23/04/61/488230461.db2.gz SKMFLMJLTMBAGL-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO FC1=CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683836825 488230460 /nfs/dbraw/zinc/23/04/60/488230460.db2.gz SKMFLMJLTMBAGL-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO Cc1cc(C[N@H+](C)[C@H](C)c2cccnc2)sn1 ZINC000683889150 487708695 /nfs/dbraw/zinc/70/86/95/487708695.db2.gz UCDBGXOZKUGQMI-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@H](C)c2cccnc2)sn1 ZINC000683889150 487708693 /nfs/dbraw/zinc/70/86/93/487708693.db2.gz UCDBGXOZKUGQMI-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cc(C[N@H+](C)[C@@H](C)c2cccnc2)sn1 ZINC000683889151 487708718 /nfs/dbraw/zinc/70/87/18/487708718.db2.gz UCDBGXOZKUGQMI-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)sn1 ZINC000683889151 487708716 /nfs/dbraw/zinc/70/87/16/487708716.db2.gz UCDBGXOZKUGQMI-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000683893233 488238151 /nfs/dbraw/zinc/23/81/51/488238151.db2.gz CHGFEGRDIADUDB-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO Cc1ccc(CNc2cc3cc[nH]c3c[nH+]2)cc1 ZINC000683893236 488238327 /nfs/dbraw/zinc/23/83/27/488238327.db2.gz CVEBHEKPYJNTJT-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO Fc1ccccc1CNc1cc2cc[nH]c2c[nH+]1 ZINC000683893245 488238265 /nfs/dbraw/zinc/23/82/65/488238265.db2.gz DJHAWKYNDWZXDV-UHFFFAOYSA-N 1 2 241.269 3.314 20 0 BGADLO c1cc2cc(NCc3ccccc3)[nH+]cc2[nH]1 ZINC000683893280 488238336 /nfs/dbraw/zinc/23/83/36/488238336.db2.gz GSFVSVUFMSRQCM-UHFFFAOYSA-N 1 2 223.279 3.175 20 0 BGADLO Fc1ccc(CNc2cc3cc[nH]c3c[nH+]2)cc1 ZINC000683893441 488238256 /nfs/dbraw/zinc/23/82/56/488238256.db2.gz WKRUHFLZIFLLCU-UHFFFAOYSA-N 1 2 241.269 3.314 20 0 BGADLO Cc1nc(C)c(C[N@H+](C)Cc2ccccc2F)o1 ZINC000683898257 487710047 /nfs/dbraw/zinc/71/00/47/487710047.db2.gz IYOROLQJQPQFCI-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1nc(C)c(C[N@@H+](C)Cc2ccccc2F)o1 ZINC000683898257 487710043 /nfs/dbraw/zinc/71/00/43/487710043.db2.gz IYOROLQJQPQFCI-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1ccc(NCc2cc3ccccc3[nH]2)c[nH+]1 ZINC000683922296 488245211 /nfs/dbraw/zinc/24/52/11/488245211.db2.gz AYIWCIMFLLQRHS-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO Cc1c[nH+]cc(NCc2cc3ccccc3[nH]2)c1 ZINC000683922958 488245322 /nfs/dbraw/zinc/24/53/22/488245322.db2.gz PQBBVQNUHZYBGF-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO Cc1[nH+]cccc1NCc1cc2ccccc2[nH]1 ZINC000683923055 488245438 /nfs/dbraw/zinc/24/54/38/488245438.db2.gz UFDLQJSYPMLGAF-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO Cc1cc[nH+]cc1NCc1cc2ccccc2[nH]1 ZINC000683924191 488245403 /nfs/dbraw/zinc/24/54/03/488245403.db2.gz PDTKDILRQCWNLP-UHFFFAOYSA-N 1 2 237.306 3.483 20 0 BGADLO FC1=CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684023095 488256686 /nfs/dbraw/zinc/25/66/86/488256686.db2.gz OUWUOTSHXHORQI-UHFFFAOYSA-N 1 2 230.286 3.227 20 0 BGADLO FC1=CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000684023095 488256684 /nfs/dbraw/zinc/25/66/84/488256684.db2.gz OUWUOTSHXHORQI-UHFFFAOYSA-N 1 2 230.286 3.227 20 0 BGADLO CC(C)(C)c1cnc(C[N@@H+]2CC=CCC2)s1 ZINC000684144042 488269252 /nfs/dbraw/zinc/26/92/52/488269252.db2.gz NNXBFTDXFMMWLJ-UHFFFAOYSA-N 1 2 236.384 3.203 20 0 BGADLO CC(C)(C)c1cnc(C[N@H+]2CC=CCC2)s1 ZINC000684144042 488269251 /nfs/dbraw/zinc/26/92/51/488269251.db2.gz NNXBFTDXFMMWLJ-UHFFFAOYSA-N 1 2 236.384 3.203 20 0 BGADLO Fc1c(Cl)cccc1C[NH+]1CC(C(F)F)C1 ZINC000684154979 488269791 /nfs/dbraw/zinc/26/97/91/488269791.db2.gz VPFVYABHEOHZFX-UHFFFAOYSA-N 1 2 249.663 3.176 20 0 BGADLO Cc1ccc([C@@H]2CC[N@@H+](CC(F)F)C2)c(C)c1 ZINC000684211007 488277442 /nfs/dbraw/zinc/27/74/42/488277442.db2.gz HEEMOIUGUPEJKW-GFCCVEGCSA-N 1 2 239.309 3.358 20 0 BGADLO Cc1ccc([C@@H]2CC[N@H+](CC(F)F)C2)c(C)c1 ZINC000684211007 488277440 /nfs/dbraw/zinc/27/74/40/488277440.db2.gz HEEMOIUGUPEJKW-GFCCVEGCSA-N 1 2 239.309 3.358 20 0 BGADLO Cc1ccc([C@H]2CC[N@@H+](CC(F)F)C2)c(C)c1 ZINC000684211008 488277376 /nfs/dbraw/zinc/27/73/76/488277376.db2.gz HEEMOIUGUPEJKW-LBPRGKRZSA-N 1 2 239.309 3.358 20 0 BGADLO Cc1ccc([C@H]2CC[N@H+](CC(F)F)C2)c(C)c1 ZINC000684211008 488277374 /nfs/dbraw/zinc/27/73/74/488277374.db2.gz HEEMOIUGUPEJKW-LBPRGKRZSA-N 1 2 239.309 3.358 20 0 BGADLO CC(C)n1nccc1C[N@@H+](C)Cc1ccsc1 ZINC000684356561 488299667 /nfs/dbraw/zinc/29/96/67/488299667.db2.gz GYYZZNJVSIPOBD-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO CC(C)n1nccc1C[N@H+](C)Cc1ccsc1 ZINC000684356561 488299664 /nfs/dbraw/zinc/29/96/64/488299664.db2.gz GYYZZNJVSIPOBD-UHFFFAOYSA-N 1 2 249.383 3.158 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1ccnn1C(C)C ZINC000684358918 488300524 /nfs/dbraw/zinc/30/05/24/488300524.db2.gz WOTXGCBVHFIVTD-UHFFFAOYSA-N 1 2 247.342 3.079 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1ccnn1C(C)C ZINC000684358918 488300521 /nfs/dbraw/zinc/30/05/21/488300521.db2.gz WOTXGCBVHFIVTD-UHFFFAOYSA-N 1 2 247.342 3.079 20 0 BGADLO Fc1cccc([C@H]2CC[N@H+]2CC2(F)CC2)c1 ZINC000684361433 488300571 /nfs/dbraw/zinc/30/05/71/488300571.db2.gz RWCOILXYJGXZHW-GFCCVEGCSA-N 1 2 223.266 3.075 20 0 BGADLO Fc1cccc([C@H]2CC[N@@H+]2CC2(F)CC2)c1 ZINC000684361433 488300570 /nfs/dbraw/zinc/30/05/70/488300570.db2.gz RWCOILXYJGXZHW-GFCCVEGCSA-N 1 2 223.266 3.075 20 0 BGADLO Fc1cccc([C@@H]2CC[N@H+]2CC2(F)CC2)c1 ZINC000684361434 488300606 /nfs/dbraw/zinc/30/06/06/488300606.db2.gz RWCOILXYJGXZHW-LBPRGKRZSA-N 1 2 223.266 3.075 20 0 BGADLO Fc1cccc([C@@H]2CC[N@@H+]2CC2(F)CC2)c1 ZINC000684361434 488300602 /nfs/dbraw/zinc/30/06/02/488300602.db2.gz RWCOILXYJGXZHW-LBPRGKRZSA-N 1 2 223.266 3.075 20 0 BGADLO CC(C)C1C[NH+](Cc2cc(F)c(F)cc2F)C1 ZINC000684408563 488308042 /nfs/dbraw/zinc/30/80/42/488308042.db2.gz SPIDPDSCUSMBIC-UHFFFAOYSA-N 1 2 243.272 3.192 20 0 BGADLO CCOc1cccc(C[NH2+]C(C)(C)C(F)F)c1 ZINC000684413233 488306999 /nfs/dbraw/zinc/30/69/99/488306999.db2.gz BRJQPSKZFRXHLE-UHFFFAOYSA-N 1 2 243.297 3.219 20 0 BGADLO COc1cc(C[NH2+]C(C)(C)C(F)F)ccc1C ZINC000684413339 488308713 /nfs/dbraw/zinc/30/87/13/488308713.db2.gz FCQWJPUETYAVKW-UHFFFAOYSA-N 1 2 243.297 3.137 20 0 BGADLO CC(C)([NH2+]Cc1cccc2cc[nH]c21)C(F)F ZINC000684413427 488309146 /nfs/dbraw/zinc/30/91/46/488309146.db2.gz IXKYXOMMTRNYHL-UHFFFAOYSA-N 1 2 238.281 3.301 20 0 BGADLO CC(C)([NH2+]C/C=C\c1ccc(F)cc1)C(F)F ZINC000684414015 488309558 /nfs/dbraw/zinc/30/95/58/488309558.db2.gz PSYHZDORPCZXEU-ARJAWSKDSA-N 1 2 243.272 3.472 20 0 BGADLO CC(C)([NH2+]C/C=C/c1ccc(F)cc1)C(F)F ZINC000684414017 488309689 /nfs/dbraw/zinc/30/96/89/488309689.db2.gz PSYHZDORPCZXEU-ONEGZZNKSA-N 1 2 243.272 3.472 20 0 BGADLO COc1ccc(C)cc1C[NH2+]C(C)(C)C(F)F ZINC000684414113 488309641 /nfs/dbraw/zinc/30/96/41/488309641.db2.gz FSAQLYPKQBAESA-UHFFFAOYSA-N 1 2 243.297 3.137 20 0 BGADLO CC(C)([NH2+]Cc1cccc2[nH]ccc21)C(F)F ZINC000684414167 488309378 /nfs/dbraw/zinc/30/93/78/488309378.db2.gz UUANMNZVVJGPKV-UHFFFAOYSA-N 1 2 238.281 3.301 20 0 BGADLO CCOc1ccc(C[NH2+]C(C)(C)C(F)F)cc1 ZINC000684414844 488309652 /nfs/dbraw/zinc/30/96/52/488309652.db2.gz SCLSFQONERARCP-UHFFFAOYSA-N 1 2 243.297 3.219 20 0 BGADLO CC(C)([NH2+]Cc1cc2ccccc2[nH]1)C(F)F ZINC000684414918 488309601 /nfs/dbraw/zinc/30/96/01/488309601.db2.gz XELRDPCLJYCQJA-UHFFFAOYSA-N 1 2 238.281 3.301 20 0 BGADLO CC(C)(C)c1nc(NCCC2(C)CC2)cc[nH+]1 ZINC000684590470 488329557 /nfs/dbraw/zinc/32/95/57/488329557.db2.gz DMYDGJHQWZTOGV-UHFFFAOYSA-N 1 2 233.359 3.376 20 0 BGADLO CC(C)(C)c1nc(NC(C)(C)C(F)F)cc[nH+]1 ZINC000684594974 488330218 /nfs/dbraw/zinc/33/02/18/488330218.db2.gz RGQKLTUPXLDHAM-UHFFFAOYSA-N 1 2 243.301 3.230 20 0 BGADLO Cc1cc(NC(C)(C)C(F)F)nc(C2CC2)[nH+]1 ZINC000684595029 488330213 /nfs/dbraw/zinc/33/02/13/488330213.db2.gz SMTDKKJFGSJNPS-UHFFFAOYSA-N 1 2 241.285 3.118 20 0 BGADLO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CC(F)F)C1 ZINC000684629644 488335710 /nfs/dbraw/zinc/33/57/10/488335710.db2.gz AUIFJHRLJGHOEK-CYBMUJFWSA-N 1 2 243.272 3.054 20 0 BGADLO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CC(F)F)C1 ZINC000684629644 488335709 /nfs/dbraw/zinc/33/57/09/488335709.db2.gz AUIFJHRLJGHOEK-CYBMUJFWSA-N 1 2 243.272 3.054 20 0 BGADLO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CC(F)F)C1 ZINC000684629645 488335636 /nfs/dbraw/zinc/33/56/36/488335636.db2.gz AUIFJHRLJGHOEK-ZDUSSCGKSA-N 1 2 243.272 3.054 20 0 BGADLO C[C@]1(c2ccc(F)cc2)CC[N@H+](CC(F)F)C1 ZINC000684629645 488335634 /nfs/dbraw/zinc/33/56/34/488335634.db2.gz AUIFJHRLJGHOEK-ZDUSSCGKSA-N 1 2 243.272 3.054 20 0 BGADLO c1cc(-c2ccccc2)oc1CNc1c[nH]c[nH+]1 ZINC000684836049 488347931 /nfs/dbraw/zinc/34/79/31/488347931.db2.gz OWWSNSZWMNSRMX-UHFFFAOYSA-N 1 2 239.278 3.282 20 0 BGADLO Fc1ccc(Cl)cc1C[NH+]1CC(C(F)F)C1 ZINC000684836819 488347739 /nfs/dbraw/zinc/34/77/39/488347739.db2.gz VOOZPCICATURQE-UHFFFAOYSA-N 1 2 249.663 3.176 20 0 BGADLO Cn1c[nH+]c(/C=C\c2nc3ccccc3s2)c1 ZINC000684843249 488348572 /nfs/dbraw/zinc/34/85/72/488348572.db2.gz CPHVZVGUCHYDBW-SREVYHEPSA-N 1 2 241.319 3.200 20 0 BGADLO Cn1c[nH+]c(/C=C/c2nc3ccccc3s2)c1 ZINC000684843251 488348566 /nfs/dbraw/zinc/34/85/66/488348566.db2.gz CPHVZVGUCHYDBW-VOTSOKGWSA-N 1 2 241.319 3.200 20 0 BGADLO Cc1ccc2nc(/C=C\c3cn(C)c[nH+]3)ccc2c1 ZINC000684844224 488348722 /nfs/dbraw/zinc/34/87/22/488348722.db2.gz NGAWXJFKCMJYBW-SREVYHEPSA-N 1 2 249.317 3.447 20 0 BGADLO Cc1ccc2nc(/C=C/c3cn(C)c[nH+]3)ccc2c1 ZINC000684844225 488348594 /nfs/dbraw/zinc/34/85/94/488348594.db2.gz NGAWXJFKCMJYBW-VOTSOKGWSA-N 1 2 249.317 3.447 20 0 BGADLO Cn1c[nH+]c(/C=C/c2ccc3ccccc3n2)c1 ZINC000684844718 488348514 /nfs/dbraw/zinc/34/85/14/488348514.db2.gz QFBQTIIUYAPRBR-CMDGGOBGSA-N 1 2 235.290 3.139 20 0 BGADLO FC(F)C1C[NH+](Cc2sccc2Cl)C1 ZINC000685411976 487517710 /nfs/dbraw/zinc/51/77/10/487517710.db2.gz FBKBHXRZMRXFBJ-UHFFFAOYSA-N 1 2 237.702 3.098 20 0 BGADLO Fc1cc(C[NH+]2CC(C(F)F)C2)ccc1Cl ZINC000685412031 488023587 /nfs/dbraw/zinc/02/35/87/488023587.db2.gz KEWHKQUAYZEWIV-UHFFFAOYSA-N 1 2 249.663 3.176 20 0 BGADLO Cc1cnc(C[NH2+]Cc2ccc3occc3c2)o1 ZINC000685428670 487521431 /nfs/dbraw/zinc/52/14/31/487521431.db2.gz ORGKNXYQQLUXQG-UHFFFAOYSA-N 1 2 242.278 3.019 20 0 BGADLO Cc1cc(C[NH2+]C(C)(C)C(F)F)cc(C)c1O ZINC000685429798 487521883 /nfs/dbraw/zinc/52/18/83/487521883.db2.gz OOWNLFWDUSYUIS-UHFFFAOYSA-N 1 2 243.297 3.142 20 0 BGADLO CC[N@@H+](Cc1nccs1)[C@H](C)c1cccnc1 ZINC000685468941 487530784 /nfs/dbraw/zinc/53/07/84/487530784.db2.gz BJQIQVLEVXKHFW-LLVKDONJSA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@H+](Cc1nccs1)[C@H](C)c1cccnc1 ZINC000685468941 487530781 /nfs/dbraw/zinc/53/07/81/487530781.db2.gz BJQIQVLEVXKHFW-LLVKDONJSA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@@H+](Cc1nccs1)[C@@H](C)c1cccnc1 ZINC000685468942 487531669 /nfs/dbraw/zinc/53/16/69/487531669.db2.gz BJQIQVLEVXKHFW-NSHDSACASA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@H+](Cc1nccs1)[C@@H](C)c1cccnc1 ZINC000685468942 487531666 /nfs/dbraw/zinc/53/16/66/487531666.db2.gz BJQIQVLEVXKHFW-NSHDSACASA-N 1 2 247.367 3.121 20 0 BGADLO Oc1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1 ZINC000685477015 487537834 /nfs/dbraw/zinc/53/78/34/487537834.db2.gz NSLLDSKUCGBMQN-UHFFFAOYSA-N 1 2 241.281 3.060 20 0 BGADLO Cc1[nH+]cccc1Cn1cc(-c2ccccc2)cn1 ZINC000685579317 487557107 /nfs/dbraw/zinc/55/71/07/487557107.db2.gz NPUCHMJDAZNSJM-UHFFFAOYSA-N 1 2 249.317 3.302 20 0 BGADLO Cc1[nH+]cccc1Cn1ccc(-c2ccccc2)n1 ZINC000685579805 487557034 /nfs/dbraw/zinc/55/70/34/487557034.db2.gz NHFHCESYADPEKG-UHFFFAOYSA-N 1 2 249.317 3.302 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1cccnc1C ZINC000685580735 487558337 /nfs/dbraw/zinc/55/83/37/487558337.db2.gz DRUUIIRIYVUFKB-UHFFFAOYSA-N 1 2 242.322 3.235 20 0 BGADLO CC(C)Cc1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000685845915 488127518 /nfs/dbraw/zinc/12/75/18/488127518.db2.gz UXUCQQTUHGUELF-UHFFFAOYSA-N 1 2 229.327 3.220 20 0 BGADLO CC(C)(C)c1ccc(CNc2c[nH]c[nH+]2)cc1 ZINC000685845917 488127720 /nfs/dbraw/zinc/12/77/20/488127720.db2.gz WWAQZMUZGBZMQW-UHFFFAOYSA-N 1 2 229.327 3.319 20 0 BGADLO COc1ccc(NCCc2ccc(C)cc2)[nH+]c1 ZINC000685908702 487593644 /nfs/dbraw/zinc/59/36/44/487593644.db2.gz SPPBEJOKZTXINZ-UHFFFAOYSA-N 1 2 242.322 3.053 20 0 BGADLO Fc1ccc2cc[nH+]c(N3CCC4(CC4)C3)c2c1 ZINC000685918348 487596467 /nfs/dbraw/zinc/59/64/67/487596467.db2.gz BJRMVVFEKGWJER-UHFFFAOYSA-N 1 2 242.297 3.364 20 0 BGADLO CCCC[C@@H](C)N(C)c1cc(CC)[nH+]cn1 ZINC000685931065 488156683 /nfs/dbraw/zinc/15/66/83/488156683.db2.gz AJEQLBVIGAIUAG-LLVKDONJSA-N 1 2 221.348 3.054 20 0 BGADLO CCCC[C@H](C)N(C)c1cc(CC)[nH+]cn1 ZINC000685931066 488156847 /nfs/dbraw/zinc/15/68/47/488156847.db2.gz AJEQLBVIGAIUAG-NSHDSACASA-N 1 2 221.348 3.054 20 0 BGADLO CC(C)CC1([NH2+]CC(F)(F)C(F)F)CC1 ZINC000701482287 712024371 /nfs/dbraw/zinc/02/43/71/712024371.db2.gz DRDDGXVPODCIHX-UHFFFAOYSA-N 1 2 227.245 3.055 20 0 BGADLO Cc1cc(CNc2ccc([NH+](C)C)cc2)ccn1 ZINC000703443188 712075865 /nfs/dbraw/zinc/07/58/65/712075865.db2.gz YNTQTZWDBYJVDL-UHFFFAOYSA-N 1 2 241.338 3.068 20 0 BGADLO C[C@@H]1C[C@@H]1CNc1ccc([NH+]2CCCC2)cc1 ZINC000705191327 712125494 /nfs/dbraw/zinc/12/54/94/712125494.db2.gz IYMYZRYXNSEJJG-CHWSQXEVSA-N 1 2 230.355 3.355 20 0 BGADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000705191327 712125491 /nfs/dbraw/zinc/12/54/91/712125491.db2.gz IYMYZRYXNSEJJG-CHWSQXEVSA-N 1 2 230.355 3.355 20 0 BGADLO C[C@@H]1C[C@H]1CNc1ccc([NH+]2CCCC2)cc1 ZINC000705191328 712125764 /nfs/dbraw/zinc/12/57/64/712125764.db2.gz IYMYZRYXNSEJJG-OLZOCXBDSA-N 1 2 230.355 3.355 20 0 BGADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000705191328 712125763 /nfs/dbraw/zinc/12/57/63/712125763.db2.gz IYMYZRYXNSEJJG-OLZOCXBDSA-N 1 2 230.355 3.355 20 0 BGADLO C[C@H]1C[C@@H]1CNc1ccc([NH+]2CCCC2)cc1 ZINC000705191330 712125803 /nfs/dbraw/zinc/12/58/03/712125803.db2.gz IYMYZRYXNSEJJG-QWHCGFSZSA-N 1 2 230.355 3.355 20 0 BGADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000705191330 712125802 /nfs/dbraw/zinc/12/58/02/712125802.db2.gz IYMYZRYXNSEJJG-QWHCGFSZSA-N 1 2 230.355 3.355 20 0 BGADLO C[C@H]1C[C@H]1CNc1ccc([NH+]2CCCC2)cc1 ZINC000705191332 712125437 /nfs/dbraw/zinc/12/54/37/712125437.db2.gz IYMYZRYXNSEJJG-STQMWFEESA-N 1 2 230.355 3.355 20 0 BGADLO C[C@H]1C[C@H]1C[NH2+]c1ccc(N2CCCC2)cc1 ZINC000705191332 712125436 /nfs/dbraw/zinc/12/54/36/712125436.db2.gz IYMYZRYXNSEJJG-STQMWFEESA-N 1 2 230.355 3.355 20 0 BGADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CCCCO1 ZINC000705952294 712138300 /nfs/dbraw/zinc/13/83/00/712138300.db2.gz JXTWLFLZIJAFQK-DOMZBBRYSA-N 1 2 248.370 3.122 20 0 BGADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CCCCO1 ZINC000705952295 712138096 /nfs/dbraw/zinc/13/80/96/712138096.db2.gz JXTWLFLZIJAFQK-IUODEOHRSA-N 1 2 248.370 3.122 20 0 BGADLO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@H]1CCCCO1 ZINC000705952297 712138351 /nfs/dbraw/zinc/13/83/51/712138351.db2.gz JXTWLFLZIJAFQK-SWLSCSKDSA-N 1 2 248.370 3.122 20 0 BGADLO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@@H]1CCCCO1 ZINC000705952298 712138318 /nfs/dbraw/zinc/13/83/18/712138318.db2.gz JXTWLFLZIJAFQK-WFASDCNBSA-N 1 2 248.370 3.122 20 0 BGADLO C[C@@H]1CC[C@@H](C)[NH+]1Cc1csc(Cl)n1 ZINC000706467670 712146857 /nfs/dbraw/zinc/14/68/57/712146857.db2.gz FPNBSDMBDLTMKI-HTQZYQBOSA-N 1 2 230.764 3.169 20 0 BGADLO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1csc(Cl)n1 ZINC000706467671 712146874 /nfs/dbraw/zinc/14/68/74/712146874.db2.gz FPNBSDMBDLTMKI-OCAPTIKFSA-N 1 2 230.764 3.169 20 0 BGADLO C[C@@H]1CC[C@H](C)[N@H+]1Cc1csc(Cl)n1 ZINC000706467671 712146873 /nfs/dbraw/zinc/14/68/73/712146873.db2.gz FPNBSDMBDLTMKI-OCAPTIKFSA-N 1 2 230.764 3.169 20 0 BGADLO C[C@H]1CC[C@H](C)[NH+]1Cc1csc(Cl)n1 ZINC000706467672 712146844 /nfs/dbraw/zinc/14/68/44/712146844.db2.gz FPNBSDMBDLTMKI-YUMQZZPRSA-N 1 2 230.764 3.169 20 0 BGADLO COc1ccc([NH2+][C@H]2CCCC23CC3)c(OC)c1 ZINC000706517953 712147796 /nfs/dbraw/zinc/14/77/96/712147796.db2.gz GGPBOQFDJZNVHL-AWEZNQCLSA-N 1 2 247.338 3.448 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCCC23CC3)c(OC)c1 ZINC000706517954 712148033 /nfs/dbraw/zinc/14/80/33/712148033.db2.gz GGPBOQFDJZNVHL-CQSZACIVSA-N 1 2 247.338 3.448 20 0 BGADLO C[NH+](C)c1ccc(N[C@H]2CCCC23CC3)cc1 ZINC000706616811 712151031 /nfs/dbraw/zinc/15/10/31/712151031.db2.gz VCIHOYLOVLXYEA-AWEZNQCLSA-N 1 2 230.355 3.497 20 0 BGADLO CN(C)c1ccc([NH2+][C@H]2CCCC23CC3)cc1 ZINC000706616811 712151030 /nfs/dbraw/zinc/15/10/30/712151030.db2.gz VCIHOYLOVLXYEA-AWEZNQCLSA-N 1 2 230.355 3.497 20 0 BGADLO C[NH+](C)c1ccc(N[C@@H]2CCCC23CC3)cc1 ZINC000706616813 712151492 /nfs/dbraw/zinc/15/14/92/712151492.db2.gz VCIHOYLOVLXYEA-CQSZACIVSA-N 1 2 230.355 3.497 20 0 BGADLO CN(C)c1ccc([NH2+][C@@H]2CCCC23CC3)cc1 ZINC000706616813 712151489 /nfs/dbraw/zinc/15/14/89/712151489.db2.gz VCIHOYLOVLXYEA-CQSZACIVSA-N 1 2 230.355 3.497 20 0 BGADLO CSC1CC(Nc2ccc(C)[nH+]c2C)C1 ZINC000706763807 712154402 /nfs/dbraw/zinc/15/44/02/712154402.db2.gz GAIZWNWXAMDCJK-UHFFFAOYSA-N 1 2 222.357 3.004 20 0 BGADLO CSC1CC([NH2+]c2ccc(N(C)C)cc2)C1 ZINC000706927745 712161835 /nfs/dbraw/zinc/16/18/35/712161835.db2.gz JCGUWLLSQIQJKF-UHFFFAOYSA-N 1 2 236.384 3.059 20 0 BGADLO CSC1CC(Nc2ccc([NH+](C)C)cc2)C1 ZINC000706927745 712161832 /nfs/dbraw/zinc/16/18/32/712161832.db2.gz JCGUWLLSQIQJKF-UHFFFAOYSA-N 1 2 236.384 3.059 20 0 BGADLO Clc1nc(C[NH+]2CCC3(CC3)CC2)cs1 ZINC000707159748 712165586 /nfs/dbraw/zinc/16/55/86/712165586.db2.gz ALRBSCHTQYHODP-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO CC[N@@H+](CCCCC(=O)OC)c1ccc(C)cc1 ZINC000707476629 712170633 /nfs/dbraw/zinc/17/06/33/712170633.db2.gz FLZNDEFGDSIRIH-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO CC[N@H+](CCCCC(=O)OC)c1ccc(C)cc1 ZINC000707476629 712170631 /nfs/dbraw/zinc/17/06/31/712170631.db2.gz FLZNDEFGDSIRIH-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO CC[C@@H]([NH2+]Cc1nocc1C)c1ccccc1F ZINC000708334256 712188302 /nfs/dbraw/zinc/18/83/02/712188302.db2.gz HONSNXRYJPPRIR-CYBMUJFWSA-N 1 2 248.301 3.363 20 0 BGADLO CC[C@H]([NH2+]Cc1nocc1C)c1ccccc1F ZINC000708334469 712188005 /nfs/dbraw/zinc/18/80/05/712188005.db2.gz HONSNXRYJPPRIR-ZDUSSCGKSA-N 1 2 248.301 3.363 20 0 BGADLO CCOc1ccc(NCc2[nH]c(C)c(C)[nH+]2)cc1 ZINC000708953997 712204213 /nfs/dbraw/zinc/20/42/13/712204213.db2.gz YCHUJQPEABBKHI-UHFFFAOYSA-N 1 2 245.326 3.037 20 0 BGADLO Cc1[nH]c(CN(C)c2ccc(C)cc2C)[nH+]c1C ZINC000709064877 712207156 /nfs/dbraw/zinc/20/71/56/712207156.db2.gz KWSBGVCYHOYUPM-UHFFFAOYSA-N 1 2 243.354 3.280 20 0 BGADLO CCN(Cc1[nH]c(C)c(C)[nH+]1)c1ccccc1 ZINC000709067501 712207605 /nfs/dbraw/zinc/20/76/05/712207605.db2.gz BHFQHWIYMUTIFL-UHFFFAOYSA-N 1 2 229.327 3.053 20 0 BGADLO CC1(C)C[C@H](CNc2cccc[nH+]2)C(C)(C)O1 ZINC000709699234 712216147 /nfs/dbraw/zinc/21/61/47/712216147.db2.gz ZWRAWJHJPRCMHJ-LLVKDONJSA-N 1 2 234.343 3.087 20 0 BGADLO CC1(C)C[C@@H](CNc2cccc[nH+]2)C(C)(C)O1 ZINC000709699235 712216007 /nfs/dbraw/zinc/21/60/07/712216007.db2.gz ZWRAWJHJPRCMHJ-NSHDSACASA-N 1 2 234.343 3.087 20 0 BGADLO c1ccc(N[C@@H]2C[C@@H]3CCCC[C@H]23)[nH+]c1 ZINC000712446050 712430622 /nfs/dbraw/zinc/43/06/22/712430622.db2.gz ZEWRLYFIIKRLKJ-SDDRHHMPSA-N 1 2 202.301 3.072 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1nccs1)c1ccns1 ZINC000715998294 712551706 /nfs/dbraw/zinc/55/17/06/712551706.db2.gz MLHYHLWZZSBKDV-HTQZYQBOSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1nccs1 ZINC000715998296 711562608 /nfs/dbraw/zinc/56/26/08/711562608.db2.gz MLHYHLWZZSBKDV-JGVFFNPUSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccns1 ZINC000715998298 712551910 /nfs/dbraw/zinc/55/19/10/712551910.db2.gz MLHYHLWZZSBKDV-SFYZADRCSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1nccs1)c1ccns1 ZINC000715998301 712551917 /nfs/dbraw/zinc/55/19/17/712551917.db2.gz MLHYHLWZZSBKDV-YUMQZZPRSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1ccns1)c1cscn1 ZINC000716001111 712552183 /nfs/dbraw/zinc/55/21/83/712552183.db2.gz UQILIRLTOQNJBY-HTQZYQBOSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccns1 ZINC000716001112 712552043 /nfs/dbraw/zinc/55/20/43/712552043.db2.gz UQILIRLTOQNJBY-JGVFFNPUSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cscn1 ZINC000716001113 712552033 /nfs/dbraw/zinc/55/20/33/712552033.db2.gz UQILIRLTOQNJBY-SFYZADRCSA-N 1 2 239.369 3.011 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1ccns1)c1cscn1 ZINC000716001114 712552063 /nfs/dbraw/zinc/55/20/63/712552063.db2.gz UQILIRLTOQNJBY-YUMQZZPRSA-N 1 2 239.369 3.011 20 0 BGADLO c1ccc(NCC2C[C@H]3CC[C@@H](C2)S3)[nH+]c1 ZINC000716044291 712548225 /nfs/dbraw/zinc/54/82/25/712548225.db2.gz QZEGYYXXHIQRBY-YOGCLGLASA-N 1 2 234.368 3.168 20 0 BGADLO C[C@H]([NH2+]C/C(Cl)=C/Cl)c1ccns1 ZINC000716058328 712548943 /nfs/dbraw/zinc/54/89/43/712548943.db2.gz WOSVBXDWCJBYCS-BBEKVSQQSA-N 1 2 237.155 3.113 20 0 BGADLO C[C@@H]([NH2+]C/C(Cl)=C/Cl)c1ccns1 ZINC000716058330 712548916 /nfs/dbraw/zinc/54/89/16/712548916.db2.gz WOSVBXDWCJBYCS-CDXJMXTPSA-N 1 2 237.155 3.113 20 0 BGADLO C[C@@H]([NH2+]C/C(Cl)=C\Cl)c1ccns1 ZINC000716058333 712548703 /nfs/dbraw/zinc/54/87/03/712548703.db2.gz WOSVBXDWCJBYCS-LTYDNXFVSA-N 1 2 237.155 3.113 20 0 BGADLO C[C@H]([NH2+]C/C(Cl)=C\Cl)c1ccns1 ZINC000716058334 712548940 /nfs/dbraw/zinc/54/89/40/712548940.db2.gz WOSVBXDWCJBYCS-PDKRUMACSA-N 1 2 237.155 3.113 20 0 BGADLO Cc1coc(C[NH2+][C@@H](C)c2ncc(C)s2)c1 ZINC000718058737 712740136 /nfs/dbraw/zinc/74/01/36/712740136.db2.gz PJLCXPKEOUEQGX-JTQLQIEISA-N 1 2 236.340 3.204 20 0 BGADLO Cc1coc(C[NH2+][C@H](C)c2ncc(C)s2)c1 ZINC000718058746 712739942 /nfs/dbraw/zinc/73/99/42/712739942.db2.gz PJLCXPKEOUEQGX-SNVBAGLBSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1coc(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000718059324 712740278 /nfs/dbraw/zinc/74/02/78/712740278.db2.gz SWUPBNVHWIRNAK-UHFFFAOYSA-N 1 2 236.340 3.069 20 0 BGADLO Cc1coc(C[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000718059353 712740092 /nfs/dbraw/zinc/74/00/92/712740092.db2.gz SXWXIQBKPZTAOY-JTQLQIEISA-N 1 2 236.340 3.204 20 0 BGADLO Cc1coc(C[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000718059357 712740104 /nfs/dbraw/zinc/74/01/04/712740104.db2.gz SXWXIQBKPZTAOY-SNVBAGLBSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1coc(CNc2ccc([NH+](C)C)cc2)c1 ZINC000718121892 712745324 /nfs/dbraw/zinc/74/53/24/712745324.db2.gz HSWQPEPMGCUHBQ-UHFFFAOYSA-N 1 2 230.311 3.266 20 0 BGADLO Cc1coc(CNc2ccc(C)[nH+]c2C)c1 ZINC000718131133 712746964 /nfs/dbraw/zinc/74/69/64/712746964.db2.gz BCKWAVSFKMBTIH-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO CO[C@H]1CCC[C@H](Nc2ccc(C)[nH+]c2C)CC1 ZINC000718739543 712779582 /nfs/dbraw/zinc/77/95/82/712779582.db2.gz NUYOVFOUNLLQLI-KBPBESRZSA-N 1 2 248.370 3.458 20 0 BGADLO CO[C@H]1CCC[C@@H](Nc2ccc(C)[nH+]c2C)CC1 ZINC000718739545 712779727 /nfs/dbraw/zinc/77/97/27/712779727.db2.gz NUYOVFOUNLLQLI-KGLIPLIRSA-N 1 2 248.370 3.458 20 0 BGADLO CO[C@@H]1CCC[C@H](Nc2ccc(C)[nH+]c2C)CC1 ZINC000718739547 712779754 /nfs/dbraw/zinc/77/97/54/712779754.db2.gz NUYOVFOUNLLQLI-UONOGXRCSA-N 1 2 248.370 3.458 20 0 BGADLO CO[C@@H]1CCC[C@@H](Nc2ccc(C)[nH+]c2C)CC1 ZINC000718739549 712779620 /nfs/dbraw/zinc/77/96/20/712779620.db2.gz NUYOVFOUNLLQLI-ZIAGYGMSSA-N 1 2 248.370 3.458 20 0 BGADLO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccoc1 ZINC000719570776 712810815 /nfs/dbraw/zinc/81/08/15/712810815.db2.gz MVWKZJIXWXCIRO-SECBINFHSA-N 1 2 248.351 3.076 20 0 BGADLO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccoc1 ZINC000719570779 712810687 /nfs/dbraw/zinc/81/06/87/712810687.db2.gz MVWKZJIXWXCIRO-VIFPVBQESA-N 1 2 248.351 3.076 20 0 BGADLO c1ccc(NCc2nc3c(s2)CCCC3)[nH+]c1 ZINC000719603017 712816128 /nfs/dbraw/zinc/81/61/28/712816128.db2.gz SEXDQXVGVCXHGX-UHFFFAOYSA-N 1 2 245.351 3.029 20 0 BGADLO CSC1CCC(CNc2cccc[nH+]2)CC1 ZINC000720590612 712855892 /nfs/dbraw/zinc/85/58/92/712855892.db2.gz KCUBGLXPSIWTJU-UHFFFAOYSA-N 1 2 236.384 3.415 20 0 BGADLO C[C@@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)C[C@H](C)O1 ZINC000724263831 711573311 /nfs/dbraw/zinc/57/33/11/711573311.db2.gz CGFZVNLTDJGXPY-IMRBUKKESA-N 1 2 248.370 3.121 20 0 BGADLO C[C@@H]1C[C@H]([NH2+]c2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000724263831 711573309 /nfs/dbraw/zinc/57/33/09/711573309.db2.gz CGFZVNLTDJGXPY-IMRBUKKESA-N 1 2 248.370 3.121 20 0 BGADLO CC/C=C/C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724425096 711579084 /nfs/dbraw/zinc/57/90/84/711579084.db2.gz RWFCJOGLCWXMMM-VOTSOKGWSA-N 1 2 222.332 3.028 20 0 BGADLO CSCc1ccc(C[NH2+][C@H](C)C(F)F)cc1 ZINC000725122625 711655371 /nfs/dbraw/zinc/65/53/71/711655371.db2.gz FFWFFUSPVOYOPJ-SECBINFHSA-N 1 2 245.338 3.293 20 0 BGADLO CSCc1ccc(C[NH2+][C@@H](C)C(F)F)cc1 ZINC000725122627 711747519 /nfs/dbraw/zinc/74/75/19/711747519.db2.gz FFWFFUSPVOYOPJ-VIFPVBQESA-N 1 2 245.338 3.293 20 0 BGADLO Cc1ccc([N@H+](C[C@@H]2CCOC2)C(C)C)cc1 ZINC000725801016 582858803 /nfs/dbraw/zinc/85/88/03/582858803.db2.gz XPLCTOTYPVTPBG-AWEZNQCLSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc([N@@H+](C[C@@H]2CCOC2)C(C)C)cc1 ZINC000725801016 582858802 /nfs/dbraw/zinc/85/88/02/582858802.db2.gz XPLCTOTYPVTPBG-AWEZNQCLSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc([N@H+](C[C@H]2CCOC2)C(C)C)cc1 ZINC000725801025 582859118 /nfs/dbraw/zinc/85/91/18/582859118.db2.gz XPLCTOTYPVTPBG-CQSZACIVSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc([N@@H+](C[C@H]2CCOC2)C(C)C)cc1 ZINC000725801025 582859114 /nfs/dbraw/zinc/85/91/14/582859114.db2.gz XPLCTOTYPVTPBG-CQSZACIVSA-N 1 2 233.355 3.246 20 0 BGADLO CCOC(=O)CCC[N@@H+](C)c1ccc(C)c(C)c1 ZINC000726596432 583362465 /nfs/dbraw/zinc/36/24/65/583362465.db2.gz MAZCUUJTFKHGMM-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CCOC(=O)CCC[N@H+](C)c1ccc(C)c(C)c1 ZINC000726596432 583362461 /nfs/dbraw/zinc/36/24/61/583362461.db2.gz MAZCUUJTFKHGMM-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CCOC(=O)CCC[N@@H+](CC)c1ccc(C)cc1 ZINC000726597364 583361748 /nfs/dbraw/zinc/36/17/48/583361748.db2.gz JAFTWBSZWVSNLP-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO CCOC(=O)CCC[N@H+](CC)c1ccc(C)cc1 ZINC000726597364 583361747 /nfs/dbraw/zinc/36/17/47/583361747.db2.gz JAFTWBSZWVSNLP-UHFFFAOYSA-N 1 2 249.354 3.165 20 0 BGADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@H](C)C2)no1 ZINC000726957160 583551215 /nfs/dbraw/zinc/55/12/15/583551215.db2.gz KKUDZXVAYBVOAC-LLVKDONJSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)no1 ZINC000726957160 583551214 /nfs/dbraw/zinc/55/12/14/583551214.db2.gz KKUDZXVAYBVOAC-LLVKDONJSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)no1 ZINC000726957161 583551338 /nfs/dbraw/zinc/55/13/38/583551338.db2.gz KKUDZXVAYBVOAC-NSHDSACASA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)no1 ZINC000726957161 583551336 /nfs/dbraw/zinc/55/13/36/583551336.db2.gz KKUDZXVAYBVOAC-NSHDSACASA-N 1 2 242.322 3.102 20 0 BGADLO Cc1csc(C2([NH2+]Cc3ccoc3)CCC2)n1 ZINC000727470710 583656640 /nfs/dbraw/zinc/65/66/40/583656640.db2.gz IVUKYGOIWSJBAQ-UHFFFAOYSA-N 1 2 248.351 3.214 20 0 BGADLO CCN(Cc1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000728172088 583850581 /nfs/dbraw/zinc/85/05/81/583850581.db2.gz AAMKRTVVQFOLJW-UHFFFAOYSA-N 1 2 249.745 3.100 20 0 BGADLO Cc1cccc2c1CC[N@@H+](Cc1cscn1)C2 ZINC000729479999 584015491 /nfs/dbraw/zinc/01/54/91/584015491.db2.gz SOZQOTHFEGXXHA-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO Cc1cccc2c1CC[N@H+](Cc1cscn1)C2 ZINC000729479999 584015489 /nfs/dbraw/zinc/01/54/89/584015489.db2.gz SOZQOTHFEGXXHA-UHFFFAOYSA-N 1 2 244.363 3.010 20 0 BGADLO C(=C/c1[nH]cc[nH+]1)\c1nc2ccccc2s1 ZINC000731155384 584922811 /nfs/dbraw/zinc/92/28/11/584922811.db2.gz FPHUTJLSOQPRSD-AATRIKPKSA-N 1 2 227.292 3.190 20 0 BGADLO C(=C\c1[nH]cc[nH+]1)\c1nc2ccccc2s1 ZINC000731155388 584922721 /nfs/dbraw/zinc/92/27/21/584922721.db2.gz FPHUTJLSOQPRSD-WAYWQWQTSA-N 1 2 227.292 3.190 20 0 BGADLO Cc1ccc2nc(/C=C\c3[nH]cc[nH+]3)ccc2c1 ZINC000731156250 584922753 /nfs/dbraw/zinc/92/27/53/584922753.db2.gz CAYQPDWXGHFEDU-ALCCZGGFSA-N 1 2 235.290 3.437 20 0 BGADLO Cc1ccc2nc(/C=C/c3[nH]cc[nH+]3)ccc2c1 ZINC000731156251 584922852 /nfs/dbraw/zinc/92/28/52/584922852.db2.gz CAYQPDWXGHFEDU-FNORWQNLSA-N 1 2 235.290 3.437 20 0 BGADLO C[Si](C)(C)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000731841511 584929549 /nfs/dbraw/zinc/92/95/49/584929549.db2.gz HICFYTSLGRXILD-UHFFFAOYSA-N 1 2 240.329 3.192 20 0 BGADLO Cc1cc(N2CCCCCCC2)nc(C2CC2)[nH+]1 ZINC000731901533 584931237 /nfs/dbraw/zinc/93/12/37/584931237.db2.gz ATDIPFRPYUGVDQ-UHFFFAOYSA-N 1 2 245.370 3.433 20 0 BGADLO CC(C)c1nc(N[C@H](C)Cc2ccco2)cc[nH+]1 ZINC000731966515 584932539 /nfs/dbraw/zinc/93/25/39/584932539.db2.gz MUSXVZNBOROTOB-LLVKDONJSA-N 1 2 245.326 3.236 20 0 BGADLO CC(C)c1nc(N[C@@H](C)Cc2ccco2)cc[nH+]1 ZINC000731966516 584932658 /nfs/dbraw/zinc/93/26/58/584932658.db2.gz MUSXVZNBOROTOB-NSHDSACASA-N 1 2 245.326 3.236 20 0 BGADLO CC(C)CCN(C)c1cc[nH+]c(C(C)C)n1 ZINC000731979832 584932582 /nfs/dbraw/zinc/93/25/82/584932582.db2.gz OBVWXDMIYAXDON-UHFFFAOYSA-N 1 2 221.348 3.082 20 0 BGADLO Cc1occc1CNc1cc[nH+]c(C(C)C)n1 ZINC000731983284 584932600 /nfs/dbraw/zinc/93/26/00/584932600.db2.gz AOSOGBBYAGAAFQ-UHFFFAOYSA-N 1 2 231.299 3.114 20 0 BGADLO Cc1ccc([N@@H+](C)CC2CCOCC2)cc1C ZINC000732982253 584942200 /nfs/dbraw/zinc/94/22/00/584942200.db2.gz OEZIYTRSYQHUMS-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc([N@H+](C)CC2CCOCC2)cc1C ZINC000732982253 584942199 /nfs/dbraw/zinc/94/21/99/584942199.db2.gz OEZIYTRSYQHUMS-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@@H+](CC1CCOCC1)c1ccc(C)cc1 ZINC000732982309 584942282 /nfs/dbraw/zinc/94/22/82/584942282.db2.gz PJFOUMSRKTXTHX-UHFFFAOYSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](CC1CCOCC1)c1ccc(C)cc1 ZINC000732982309 584942281 /nfs/dbraw/zinc/94/22/81/584942281.db2.gz PJFOUMSRKTXTHX-UHFFFAOYSA-N 1 2 233.355 3.248 20 0 BGADLO CCc1cc(NCc2ccc(C)c(F)c2)nc[nH+]1 ZINC000733185618 584945105 /nfs/dbraw/zinc/94/51/05/584945105.db2.gz NHSDXAQYAKBWIL-UHFFFAOYSA-N 1 2 245.301 3.099 20 0 BGADLO CC(C)c1cnc(C[N@@H+](C)Cc2ccccc2)o1 ZINC000733304798 643323755 /nfs/dbraw/zinc/32/37/55/643323755.db2.gz UAHGTLVILMSQIG-UHFFFAOYSA-N 1 2 244.338 3.430 20 0 BGADLO CC(C)c1cnc(C[N@H+](C)Cc2ccccc2)o1 ZINC000733304798 643323747 /nfs/dbraw/zinc/32/37/47/643323747.db2.gz UAHGTLVILMSQIG-UHFFFAOYSA-N 1 2 244.338 3.430 20 0 BGADLO Cc1occc1C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000733308940 584946941 /nfs/dbraw/zinc/94/69/41/584946941.db2.gz VSEPOQBLFGGGNC-UHFFFAOYSA-N 1 2 248.326 3.331 20 0 BGADLO Cc1occc1C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000733308940 584946940 /nfs/dbraw/zinc/94/69/40/584946940.db2.gz VSEPOQBLFGGGNC-UHFFFAOYSA-N 1 2 248.326 3.331 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1ncc(C(C)C)o1 ZINC000733309707 584946791 /nfs/dbraw/zinc/94/67/91/584946791.db2.gz WCNWVMNYAHHJLK-UHFFFAOYSA-N 1 2 248.326 3.413 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1ncc(C(C)C)o1 ZINC000733309707 584946790 /nfs/dbraw/zinc/94/67/90/584946790.db2.gz WCNWVMNYAHHJLK-UHFFFAOYSA-N 1 2 248.326 3.413 20 0 BGADLO CC[C@@H]1CCCC[N@H+]1CC(F)(F)C(F)F ZINC000733896551 584954805 /nfs/dbraw/zinc/95/48/05/584954805.db2.gz IPJFTTOKADDNQX-MRVPVSSYSA-N 1 2 227.245 3.151 20 0 BGADLO CC[C@@H]1CCCC[N@@H+]1CC(F)(F)C(F)F ZINC000733896551 584954804 /nfs/dbraw/zinc/95/48/04/584954804.db2.gz IPJFTTOKADDNQX-MRVPVSSYSA-N 1 2 227.245 3.151 20 0 BGADLO CC[C@H]1CCCC[N@H+]1CC(F)(F)C(F)F ZINC000733896552 584954681 /nfs/dbraw/zinc/95/46/81/584954681.db2.gz IPJFTTOKADDNQX-QMMMGPOBSA-N 1 2 227.245 3.151 20 0 BGADLO CC[C@H]1CCCC[N@@H+]1CC(F)(F)C(F)F ZINC000733896552 584954680 /nfs/dbraw/zinc/95/46/80/584954680.db2.gz IPJFTTOKADDNQX-QMMMGPOBSA-N 1 2 227.245 3.151 20 0 BGADLO C[N@@H+](CC(F)(F)C(F)F)C1CCCCC1 ZINC000733896786 584954666 /nfs/dbraw/zinc/95/46/66/584954666.db2.gz XBULRMIUTYGJDH-UHFFFAOYSA-N 1 2 227.245 3.151 20 0 BGADLO C[N@H+](CC(F)(F)C(F)F)C1CCCCC1 ZINC000733896786 584954665 /nfs/dbraw/zinc/95/46/65/584954665.db2.gz XBULRMIUTYGJDH-UHFFFAOYSA-N 1 2 227.245 3.151 20 0 BGADLO CC1CCC([N@@H+](C)CC(F)(F)C(F)F)CC1 ZINC000733897299 643477316 /nfs/dbraw/zinc/47/73/16/643477316.db2.gz MXZAPWLMDNJXAR-UHFFFAOYSA-N 1 2 241.272 3.397 20 0 BGADLO CC1CCC([N@H+](C)CC(F)(F)C(F)F)CC1 ZINC000733897299 643477311 /nfs/dbraw/zinc/47/73/11/643477311.db2.gz MXZAPWLMDNJXAR-UHFFFAOYSA-N 1 2 241.272 3.397 20 0 BGADLO FC(F)C(F)(F)C[NH+]1CCCCCCC1 ZINC000733897486 643477253 /nfs/dbraw/zinc/47/72/53/643477253.db2.gz SORNUKXYRNLQTK-UHFFFAOYSA-N 1 2 227.245 3.153 20 0 BGADLO CCC/C(C)=C\C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733968875 584955948 /nfs/dbraw/zinc/95/59/48/584955948.db2.gz YCNWSUVLOZSNNR-LUAWRHEFSA-N 1 2 243.310 3.019 20 0 BGADLO CCC/C(C)=C/C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733968878 584955928 /nfs/dbraw/zinc/95/59/28/584955928.db2.gz YCNWSUVLOZSNNR-PKNBQFBNSA-N 1 2 243.310 3.019 20 0 BGADLO CCCCCCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733969962 584955857 /nfs/dbraw/zinc/95/58/57/584955857.db2.gz ZBKABWNCAFSJJF-UHFFFAOYSA-N 1 2 245.326 3.243 20 0 BGADLO CC[N@@H+](CCc1cccnc1)c1ccc(C)cc1 ZINC000734146062 584957339 /nfs/dbraw/zinc/95/73/39/584957339.db2.gz BLHCXDWEJSOELY-UHFFFAOYSA-N 1 2 240.350 3.459 20 0 BGADLO CC[N@H+](CCc1cccnc1)c1ccc(C)cc1 ZINC000734146062 584957338 /nfs/dbraw/zinc/95/73/38/584957338.db2.gz BLHCXDWEJSOELY-UHFFFAOYSA-N 1 2 240.350 3.459 20 0 BGADLO CC[N@@H+](CCCC(=O)OC)c1ccc(C)cc1C ZINC000735308736 584975363 /nfs/dbraw/zinc/97/53/63/584975363.db2.gz QUQQRMMYEDKVSB-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CC[N@H+](CCCC(=O)OC)c1ccc(C)cc1C ZINC000735308736 584975362 /nfs/dbraw/zinc/97/53/62/584975362.db2.gz QUQQRMMYEDKVSB-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO CCc1ccc([N@@H+](CC)CCCC(=O)OC)cc1 ZINC000735309869 584975402 /nfs/dbraw/zinc/97/54/02/584975402.db2.gz MGMINZITVRSNDJ-UHFFFAOYSA-N 1 2 249.354 3.029 20 0 BGADLO CCc1ccc([N@H+](CC)CCCC(=O)OC)cc1 ZINC000735309869 584975401 /nfs/dbraw/zinc/97/54/01/584975401.db2.gz MGMINZITVRSNDJ-UHFFFAOYSA-N 1 2 249.354 3.029 20 0 BGADLO COC(=O)CCC[N@H+](c1ccc(C)cc1)C(C)C ZINC000735310303 584975451 /nfs/dbraw/zinc/97/54/51/584975451.db2.gz XTVPVPBCMKVRFI-UHFFFAOYSA-N 1 2 249.354 3.163 20 0 BGADLO COC(=O)CCC[N@@H+](c1ccc(C)cc1)C(C)C ZINC000735310303 584975450 /nfs/dbraw/zinc/97/54/50/584975450.db2.gz XTVPVPBCMKVRFI-UHFFFAOYSA-N 1 2 249.354 3.163 20 0 BGADLO CC[N@@H+](CCCCOC)c1ccc(C)cc1 ZINC000735490406 584978074 /nfs/dbraw/zinc/97/80/74/584978074.db2.gz JQQCDJMHNWWPHC-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO CC[N@H+](CCCCOC)c1ccc(C)cc1 ZINC000735490406 584978073 /nfs/dbraw/zinc/97/80/73/584978073.db2.gz JQQCDJMHNWWPHC-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO COCCCC[N@@H+](C)c1ccc(C)c(C)c1 ZINC000735492368 584978040 /nfs/dbraw/zinc/97/80/40/584978040.db2.gz WFUIHIHBUBKEEI-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO COCCCC[N@H+](C)c1ccc(C)c(C)c1 ZINC000735492368 584978039 /nfs/dbraw/zinc/97/80/39/584978039.db2.gz WFUIHIHBUBKEEI-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO Cc1ccc([N@H+](CC2(C)COC2)C(C)C)cc1 ZINC000735920055 584984456 /nfs/dbraw/zinc/98/44/56/584984456.db2.gz MSOSTEQCHKUWIM-UHFFFAOYSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc([N@@H+](CC2(C)COC2)C(C)C)cc1 ZINC000735920055 584984455 /nfs/dbraw/zinc/98/44/55/584984455.db2.gz MSOSTEQCHKUWIM-UHFFFAOYSA-N 1 2 233.355 3.246 20 0 BGADLO CC[N@@H+](CC1(C)COC1)c1ccc(C)cc1C ZINC000735920354 584984230 /nfs/dbraw/zinc/98/42/30/584984230.db2.gz QZUFDYIIWIVOCE-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@H+](CC1(C)COC1)c1ccc(C)cc1C ZINC000735920354 584984229 /nfs/dbraw/zinc/98/42/29/584984229.db2.gz QZUFDYIIWIVOCE-UHFFFAOYSA-N 1 2 233.355 3.166 20 0 BGADLO CC1(C)CC[NH+](CC(F)(F)C(F)F)CC1 ZINC000736618390 585007511 /nfs/dbraw/zinc/00/75/11/585007511.db2.gz CHMYHXZOXDGWSA-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO CC(C)(C)[C@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000736618781 585007476 /nfs/dbraw/zinc/00/74/76/585007476.db2.gz HQWJUKXSPHMBFN-MRVPVSSYSA-N 1 2 241.272 3.397 20 0 BGADLO CC(C)(C)[C@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000736618781 585007475 /nfs/dbraw/zinc/00/74/75/585007475.db2.gz HQWJUKXSPHMBFN-MRVPVSSYSA-N 1 2 241.272 3.397 20 0 BGADLO CC(C)(C)[C@@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000736618788 585007520 /nfs/dbraw/zinc/00/75/20/585007520.db2.gz HQWJUKXSPHMBFN-QMMMGPOBSA-N 1 2 241.272 3.397 20 0 BGADLO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000736618788 585007519 /nfs/dbraw/zinc/00/75/19/585007519.db2.gz HQWJUKXSPHMBFN-QMMMGPOBSA-N 1 2 241.272 3.397 20 0 BGADLO CCC[N@@H+](CC(C)C)CC(F)(F)C(F)F ZINC000736619139 585007354 /nfs/dbraw/zinc/00/73/54/585007354.db2.gz BBNZUPLSXYAKTH-UHFFFAOYSA-N 1 2 229.261 3.255 20 0 BGADLO CCC[N@H+](CC(C)C)CC(F)(F)C(F)F ZINC000736619139 585007353 /nfs/dbraw/zinc/00/73/53/585007353.db2.gz BBNZUPLSXYAKTH-UHFFFAOYSA-N 1 2 229.261 3.255 20 0 BGADLO CCC1(C)CC[NH+](CC(F)(F)C(F)F)CC1 ZINC000736619256 585007130 /nfs/dbraw/zinc/00/71/30/585007130.db2.gz DFNNBMOVWBPRNG-UHFFFAOYSA-N 1 2 241.272 3.399 20 0 BGADLO CC(C)C[C@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000736619870 585008134 /nfs/dbraw/zinc/00/81/34/585008134.db2.gz IOLJBZNYXJIHLH-SECBINFHSA-N 1 2 241.272 3.397 20 0 BGADLO CC(C)C[C@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000736619870 585008133 /nfs/dbraw/zinc/00/81/33/585008133.db2.gz IOLJBZNYXJIHLH-SECBINFHSA-N 1 2 241.272 3.397 20 0 BGADLO CC(C)C[C@@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000736619871 585008226 /nfs/dbraw/zinc/00/82/26/585008226.db2.gz IOLJBZNYXJIHLH-VIFPVBQESA-N 1 2 241.272 3.397 20 0 BGADLO CC(C)C[C@@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000736619871 585008225 /nfs/dbraw/zinc/00/82/25/585008225.db2.gz IOLJBZNYXJIHLH-VIFPVBQESA-N 1 2 241.272 3.397 20 0 BGADLO CC(C)[N@@H+](CC1CC1)CC(F)(F)C(F)F ZINC000736620159 585008064 /nfs/dbraw/zinc/00/80/64/585008064.db2.gz CURPSIGOVBRJMG-UHFFFAOYSA-N 1 2 227.245 3.007 20 0 BGADLO CC(C)[N@H+](CC1CC1)CC(F)(F)C(F)F ZINC000736620159 585008063 /nfs/dbraw/zinc/00/80/63/585008063.db2.gz CURPSIGOVBRJMG-UHFFFAOYSA-N 1 2 227.245 3.007 20 0 BGADLO CC(C)C[N@@H+](CC(F)(F)C(F)F)C(C)C ZINC000736620163 585008333 /nfs/dbraw/zinc/00/83/33/585008333.db2.gz DJTSPVONERSNHY-UHFFFAOYSA-N 1 2 229.261 3.253 20 0 BGADLO CC(C)C[N@H+](CC(F)(F)C(F)F)C(C)C ZINC000736620163 585008332 /nfs/dbraw/zinc/00/83/32/585008332.db2.gz DJTSPVONERSNHY-UHFFFAOYSA-N 1 2 229.261 3.253 20 0 BGADLO C[C@H](C1CC1)[N@@H+](CC(F)(F)C(F)F)C1CC1 ZINC000736620166 585008351 /nfs/dbraw/zinc/00/83/51/585008351.db2.gz DMGNRFSDIGSTBU-SSDOTTSWSA-N 1 2 239.256 3.150 20 0 BGADLO C[C@H](C1CC1)[N@H+](CC(F)(F)C(F)F)C1CC1 ZINC000736620166 585008350 /nfs/dbraw/zinc/00/83/50/585008350.db2.gz DMGNRFSDIGSTBU-SSDOTTSWSA-N 1 2 239.256 3.150 20 0 BGADLO C[C@@H](C1CC1)[N@@H+](CC(F)(F)C(F)F)C1CC1 ZINC000736620167 585008006 /nfs/dbraw/zinc/00/80/06/585008006.db2.gz DMGNRFSDIGSTBU-ZETCQYMHSA-N 1 2 239.256 3.150 20 0 BGADLO C[C@@H](C1CC1)[N@H+](CC(F)(F)C(F)F)C1CC1 ZINC000736620167 585008005 /nfs/dbraw/zinc/00/80/05/585008005.db2.gz DMGNRFSDIGSTBU-ZETCQYMHSA-N 1 2 239.256 3.150 20 0 BGADLO C[N@@H+](CC1CCCC1)CC(F)(F)C(F)F ZINC000736620381 585007991 /nfs/dbraw/zinc/00/79/91/585007991.db2.gz KZPQUWAYDUBYJM-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@H+](CC1CCCC1)CC(F)(F)C(F)F ZINC000736620381 585007990 /nfs/dbraw/zinc/00/79/90/585007990.db2.gz KZPQUWAYDUBYJM-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@@H+](CC(F)(F)C(F)F)C(C1CC1)C1CC1 ZINC000736620427 585008105 /nfs/dbraw/zinc/00/81/05/585008105.db2.gz LXZRPSNBVNZWPN-UHFFFAOYSA-N 1 2 239.256 3.007 20 0 BGADLO C[N@H+](CC(F)(F)C(F)F)C(C1CC1)C1CC1 ZINC000736620427 585008104 /nfs/dbraw/zinc/00/81/04/585008104.db2.gz LXZRPSNBVNZWPN-UHFFFAOYSA-N 1 2 239.256 3.007 20 0 BGADLO C[C@@H]1CCC[C@@H](C)[NH+]1CC(F)(F)C(F)F ZINC000736620453 585008186 /nfs/dbraw/zinc/00/81/86/585008186.db2.gz VCUXZMMSQAFXIM-HTQZYQBOSA-N 1 2 227.245 3.150 20 0 BGADLO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(F)(F)C(F)F ZINC000736620455 585008098 /nfs/dbraw/zinc/00/80/98/585008098.db2.gz VCUXZMMSQAFXIM-OCAPTIKFSA-N 1 2 227.245 3.150 20 0 BGADLO C[C@@H]1CCC[C@H](C)[N@H+]1CC(F)(F)C(F)F ZINC000736620455 585008097 /nfs/dbraw/zinc/00/80/97/585008097.db2.gz VCUXZMMSQAFXIM-OCAPTIKFSA-N 1 2 227.245 3.150 20 0 BGADLO C[C@H]1CCC[C@H](C)[NH+]1CC(F)(F)C(F)F ZINC000736620457 585008113 /nfs/dbraw/zinc/00/81/13/585008113.db2.gz VCUXZMMSQAFXIM-YUMQZZPRSA-N 1 2 227.245 3.150 20 0 BGADLO FC(F)C(F)(F)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000736620483 585008127 /nfs/dbraw/zinc/00/81/27/585008127.db2.gz VUKUBBGPCINCQW-SECBINFHSA-N 1 2 239.256 3.151 20 0 BGADLO FC(F)C(F)(F)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000736620483 585008126 /nfs/dbraw/zinc/00/81/26/585008126.db2.gz VUKUBBGPCINCQW-SECBINFHSA-N 1 2 239.256 3.151 20 0 BGADLO FC(F)C(F)(F)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000736620484 585008214 /nfs/dbraw/zinc/00/82/14/585008214.db2.gz VUKUBBGPCINCQW-VIFPVBQESA-N 1 2 239.256 3.151 20 0 BGADLO FC(F)C(F)(F)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000736620484 585008213 /nfs/dbraw/zinc/00/82/13/585008213.db2.gz VUKUBBGPCINCQW-VIFPVBQESA-N 1 2 239.256 3.151 20 0 BGADLO C[C@@H]1CCCCC[N@H+]1CC(F)(F)C(F)F ZINC000736620799 585008163 /nfs/dbraw/zinc/00/81/63/585008163.db2.gz DBKIRIKAUAVASN-MRVPVSSYSA-N 1 2 227.245 3.151 20 0 BGADLO C[C@@H]1CCCCC[N@@H+]1CC(F)(F)C(F)F ZINC000736620799 585008162 /nfs/dbraw/zinc/00/81/62/585008162.db2.gz DBKIRIKAUAVASN-MRVPVSSYSA-N 1 2 227.245 3.151 20 0 BGADLO C[C@H]1CCCCC[N@H+]1CC(F)(F)C(F)F ZINC000736620801 585008325 /nfs/dbraw/zinc/00/83/25/585008325.db2.gz DBKIRIKAUAVASN-QMMMGPOBSA-N 1 2 227.245 3.151 20 0 BGADLO C[C@H]1CCCCC[N@@H+]1CC(F)(F)C(F)F ZINC000736620801 585008324 /nfs/dbraw/zinc/00/83/24/585008324.db2.gz DBKIRIKAUAVASN-QMMMGPOBSA-N 1 2 227.245 3.151 20 0 BGADLO CC[C@@H]1CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000736620897 585008294 /nfs/dbraw/zinc/00/82/94/585008294.db2.gz JUOZUKGLMKVBFE-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO CC[C@@H]1CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000736620897 585008293 /nfs/dbraw/zinc/00/82/93/585008293.db2.gz JUOZUKGLMKVBFE-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO CC[C@H]1CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000736620901 585008091 /nfs/dbraw/zinc/00/80/91/585008091.db2.gz JUOZUKGLMKVBFE-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO CC[C@H]1CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000736620901 585008090 /nfs/dbraw/zinc/00/80/90/585008090.db2.gz JUOZUKGLMKVBFE-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO C[C@@H]1CCC[N@@H+](CC(F)(F)C(F)F)CC1 ZINC000736621014 585008211 /nfs/dbraw/zinc/00/82/11/585008211.db2.gz PVBKCGDNNSSDQO-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO C[C@@H]1CCC[N@H+](CC(F)(F)C(F)F)CC1 ZINC000736621014 585008210 /nfs/dbraw/zinc/00/82/10/585008210.db2.gz PVBKCGDNNSSDQO-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO C[C@H]1CCC[N@@H+](CC(F)(F)C(F)F)CC1 ZINC000736621016 585008244 /nfs/dbraw/zinc/00/82/44/585008244.db2.gz PVBKCGDNNSSDQO-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO C[C@H]1CCC[N@H+](CC(F)(F)C(F)F)CC1 ZINC000736621016 585008243 /nfs/dbraw/zinc/00/82/43/585008243.db2.gz PVBKCGDNNSSDQO-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO CC(C)[C@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000736621061 585007996 /nfs/dbraw/zinc/00/79/96/585007996.db2.gz QLNWOAVIIQMWQO-MRVPVSSYSA-N 1 2 227.245 3.007 20 0 BGADLO CC(C)[C@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000736621061 585007995 /nfs/dbraw/zinc/00/79/95/585007995.db2.gz QLNWOAVIIQMWQO-MRVPVSSYSA-N 1 2 227.245 3.007 20 0 BGADLO CC(C)[C@@H]1CCC[N@H+]1CC(F)(F)C(F)F ZINC000736621064 585008181 /nfs/dbraw/zinc/00/81/81/585008181.db2.gz QLNWOAVIIQMWQO-QMMMGPOBSA-N 1 2 227.245 3.007 20 0 BGADLO CC(C)[C@@H]1CCC[N@@H+]1CC(F)(F)C(F)F ZINC000736621064 585008180 /nfs/dbraw/zinc/00/81/80/585008180.db2.gz QLNWOAVIIQMWQO-QMMMGPOBSA-N 1 2 227.245 3.007 20 0 BGADLO CC1(C)CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000736621244 585008016 /nfs/dbraw/zinc/00/80/16/585008016.db2.gz HJRSSZDVQANBCN-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO CC1(C)CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000736621244 585008015 /nfs/dbraw/zinc/00/80/15/585008015.db2.gz HJRSSZDVQANBCN-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO CC(C)C[N@@H+](CC(F)(F)C(F)F)C1CC1 ZINC000736621375 585008167 /nfs/dbraw/zinc/00/81/67/585008167.db2.gz LNJQDBALMWSUNY-UHFFFAOYSA-N 1 2 227.245 3.007 20 0 BGADLO CC(C)C[N@H+](CC(F)(F)C(F)F)C1CC1 ZINC000736621375 585008166 /nfs/dbraw/zinc/00/81/66/585008166.db2.gz LNJQDBALMWSUNY-UHFFFAOYSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]([N@@H+](C)CC(F)(F)C(F)F)C(C)(C)C ZINC000736621378 585008250 /nfs/dbraw/zinc/00/82/50/585008250.db2.gz LQVBLIXPRQNUFO-SSDOTTSWSA-N 1 2 229.261 3.253 20 0 BGADLO C[C@@H]([N@H+](C)CC(F)(F)C(F)F)C(C)(C)C ZINC000736621378 585008249 /nfs/dbraw/zinc/00/82/49/585008249.db2.gz LQVBLIXPRQNUFO-SSDOTTSWSA-N 1 2 229.261 3.253 20 0 BGADLO C[C@H]([N@@H+](C)CC(F)(F)C(F)F)C(C)(C)C ZINC000736621380 585008184 /nfs/dbraw/zinc/00/81/84/585008184.db2.gz LQVBLIXPRQNUFO-ZETCQYMHSA-N 1 2 229.261 3.253 20 0 BGADLO C[C@H]([N@H+](C)CC(F)(F)C(F)F)C(C)(C)C ZINC000736621380 585008183 /nfs/dbraw/zinc/00/81/83/585008183.db2.gz LQVBLIXPRQNUFO-ZETCQYMHSA-N 1 2 229.261 3.253 20 0 BGADLO CC(C)[C@H]1CCCC[N@H+]1CC(F)(F)C(F)F ZINC000736621403 585008101 /nfs/dbraw/zinc/00/81/01/585008101.db2.gz IUUWGBGCSOCSPQ-SECBINFHSA-N 1 2 241.272 3.397 20 0 BGADLO CC(C)[C@H]1CCCC[N@@H+]1CC(F)(F)C(F)F ZINC000736621403 585008100 /nfs/dbraw/zinc/00/81/00/585008100.db2.gz IUUWGBGCSOCSPQ-SECBINFHSA-N 1 2 241.272 3.397 20 0 BGADLO CC(C)[C@@H]1CCCC[N@H+]1CC(F)(F)C(F)F ZINC000736621406 585008174 /nfs/dbraw/zinc/00/81/74/585008174.db2.gz IUUWGBGCSOCSPQ-VIFPVBQESA-N 1 2 241.272 3.397 20 0 BGADLO CC(C)[C@@H]1CCCC[N@@H+]1CC(F)(F)C(F)F ZINC000736621406 585008173 /nfs/dbraw/zinc/00/81/73/585008173.db2.gz IUUWGBGCSOCSPQ-VIFPVBQESA-N 1 2 241.272 3.397 20 0 BGADLO CC[N@@H+](CC(F)(F)C(F)F)C1CCCC1 ZINC000736621415 585008218 /nfs/dbraw/zinc/00/82/18/585008218.db2.gz MSMBWFSFKLGTAH-UHFFFAOYSA-N 1 2 227.245 3.151 20 0 BGADLO CC[N@H+](CC(F)(F)C(F)F)C1CCCC1 ZINC000736621415 585008217 /nfs/dbraw/zinc/00/82/17/585008217.db2.gz MSMBWFSFKLGTAH-UHFFFAOYSA-N 1 2 227.245 3.151 20 0 BGADLO CCCC[N@@H+](CC(F)(F)C(F)F)C1CC1 ZINC000736621418 585008310 /nfs/dbraw/zinc/00/83/10/585008310.db2.gz MUOJAOUCUDNVSH-UHFFFAOYSA-N 1 2 227.245 3.151 20 0 BGADLO CCCC[N@H+](CC(F)(F)C(F)F)C1CC1 ZINC000736621418 585008309 /nfs/dbraw/zinc/00/83/09/585008309.db2.gz MUOJAOUCUDNVSH-UHFFFAOYSA-N 1 2 227.245 3.151 20 0 BGADLO C[N@@H+](CC1CCCCC1)CC(F)(F)C(F)F ZINC000736621441 585008208 /nfs/dbraw/zinc/00/82/08/585008208.db2.gz NIRZDMAEYJWBGD-UHFFFAOYSA-N 1 2 241.272 3.399 20 0 BGADLO C[N@H+](CC1CCCCC1)CC(F)(F)C(F)F ZINC000736621441 585008207 /nfs/dbraw/zinc/00/82/07/585008207.db2.gz NIRZDMAEYJWBGD-UHFFFAOYSA-N 1 2 241.272 3.399 20 0 BGADLO FC(F)C(F)(F)C[N@@H+](C1CC1)C1CCCC1 ZINC000736621481 585008254 /nfs/dbraw/zinc/00/82/54/585008254.db2.gz OGKNJQFNVGCZBV-UHFFFAOYSA-N 1 2 239.256 3.294 20 0 BGADLO FC(F)C(F)(F)C[N@H+](C1CC1)C1CCCC1 ZINC000736621481 585008253 /nfs/dbraw/zinc/00/82/53/585008253.db2.gz OGKNJQFNVGCZBV-UHFFFAOYSA-N 1 2 239.256 3.294 20 0 BGADLO CCC[C@@H](C)[N@@H+](C)CC(F)(F)C(F)F ZINC000736621807 585008189 /nfs/dbraw/zinc/00/81/89/585008189.db2.gz RHVHUVLWRUMUTH-SSDOTTSWSA-N 1 2 215.234 3.007 20 0 BGADLO CCC[C@@H](C)[N@H+](C)CC(F)(F)C(F)F ZINC000736621807 585008188 /nfs/dbraw/zinc/00/81/88/585008188.db2.gz RHVHUVLWRUMUTH-SSDOTTSWSA-N 1 2 215.234 3.007 20 0 BGADLO CCC[C@H](C)[N@@H+](C)CC(F)(F)C(F)F ZINC000736621808 585008301 /nfs/dbraw/zinc/00/83/01/585008301.db2.gz RHVHUVLWRUMUTH-ZETCQYMHSA-N 1 2 215.234 3.007 20 0 BGADLO CCC[C@H](C)[N@H+](C)CC(F)(F)C(F)F ZINC000736621808 585008300 /nfs/dbraw/zinc/00/83/00/585008300.db2.gz RHVHUVLWRUMUTH-ZETCQYMHSA-N 1 2 215.234 3.007 20 0 BGADLO CC[C@@H]1CCC[N@@H+](CC(F)(F)C(F)F)CC1 ZINC000736621996 585008240 /nfs/dbraw/zinc/00/82/40/585008240.db2.gz MRSFPRMBAKIGQU-SECBINFHSA-N 1 2 241.272 3.399 20 0 BGADLO CC[C@@H]1CCC[N@H+](CC(F)(F)C(F)F)CC1 ZINC000736621996 585008239 /nfs/dbraw/zinc/00/82/39/585008239.db2.gz MRSFPRMBAKIGQU-SECBINFHSA-N 1 2 241.272 3.399 20 0 BGADLO CC[C@H]1CCC[N@@H+](CC(F)(F)C(F)F)CC1 ZINC000736621997 585008304 /nfs/dbraw/zinc/00/83/04/585008304.db2.gz MRSFPRMBAKIGQU-VIFPVBQESA-N 1 2 241.272 3.399 20 0 BGADLO CC[C@H]1CCC[N@H+](CC(F)(F)C(F)F)CC1 ZINC000736621997 585008303 /nfs/dbraw/zinc/00/83/03/585008303.db2.gz MRSFPRMBAKIGQU-VIFPVBQESA-N 1 2 241.272 3.399 20 0 BGADLO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(F)(F)C(F)F ZINC000736622074 585008155 /nfs/dbraw/zinc/00/81/55/585008155.db2.gz VRQBKXJNADALKA-BDAKNGLRSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(F)(F)C(F)F ZINC000736622074 585008154 /nfs/dbraw/zinc/00/81/54/585008154.db2.gz VRQBKXJNADALKA-BDAKNGLRSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(F)(F)C(F)F ZINC000736622075 585008124 /nfs/dbraw/zinc/00/81/24/585008124.db2.gz VRQBKXJNADALKA-DTWKUNHWSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@H]1CCCC[C@H]1[N@H+](C)CC(F)(F)C(F)F ZINC000736622075 585008123 /nfs/dbraw/zinc/00/81/23/585008123.db2.gz VRQBKXJNADALKA-DTWKUNHWSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(F)(F)C(F)F ZINC000736622076 585008337 /nfs/dbraw/zinc/00/83/37/585008337.db2.gz VRQBKXJNADALKA-IUCAKERBSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@H]1CCCC[C@@H]1[N@H+](C)CC(F)(F)C(F)F ZINC000736622076 585008336 /nfs/dbraw/zinc/00/83/36/585008336.db2.gz VRQBKXJNADALKA-IUCAKERBSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(F)(F)C(F)F ZINC000736622077 585008322 /nfs/dbraw/zinc/00/83/22/585008322.db2.gz VRQBKXJNADALKA-RKDXNWHRSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCCC[C@H]1[N@H+](C)CC(F)(F)C(F)F ZINC000736622077 585008321 /nfs/dbraw/zinc/00/83/21/585008321.db2.gz VRQBKXJNADALKA-RKDXNWHRSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCC[C@H]([N@@H+](C)CC(F)(F)C(F)F)C1 ZINC000736622078 585008078 /nfs/dbraw/zinc/00/80/78/585008078.db2.gz VTEXORDIOSAGPK-BDAKNGLRSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCC[C@H]([N@H+](C)CC(F)(F)C(F)F)C1 ZINC000736622078 585008077 /nfs/dbraw/zinc/00/80/77/585008077.db2.gz VTEXORDIOSAGPK-BDAKNGLRSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@H]1CCC[C@@H]([N@@H+](C)CC(F)(F)C(F)F)C1 ZINC000736622079 585008258 /nfs/dbraw/zinc/00/82/58/585008258.db2.gz VTEXORDIOSAGPK-DTWKUNHWSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@H]1CCC[C@@H]([N@H+](C)CC(F)(F)C(F)F)C1 ZINC000736622079 585008257 /nfs/dbraw/zinc/00/82/57/585008257.db2.gz VTEXORDIOSAGPK-DTWKUNHWSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@H]1CCC[C@H]([N@@H+](C)CC(F)(F)C(F)F)C1 ZINC000736622080 585008344 /nfs/dbraw/zinc/00/83/44/585008344.db2.gz VTEXORDIOSAGPK-IUCAKERBSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@H]1CCC[C@H]([N@H+](C)CC(F)(F)C(F)F)C1 ZINC000736622080 585008343 /nfs/dbraw/zinc/00/83/43/585008343.db2.gz VTEXORDIOSAGPK-IUCAKERBSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(F)(F)C(F)F)C1 ZINC000736622081 585008307 /nfs/dbraw/zinc/00/83/07/585008307.db2.gz VTEXORDIOSAGPK-RKDXNWHRSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCC[C@@H]([N@H+](C)CC(F)(F)C(F)F)C1 ZINC000736622081 585008306 /nfs/dbraw/zinc/00/83/06/585008306.db2.gz VTEXORDIOSAGPK-RKDXNWHRSA-N 1 2 241.272 3.397 20 0 BGADLO CCC1CC[NH+](CC(F)(F)C(F)F)CC1 ZINC000736622147 585008054 /nfs/dbraw/zinc/00/80/54/585008054.db2.gz ZUEVDRYGDUUVNG-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO CCC[N@@H+](CC1CC1)CC(F)(F)C(F)F ZINC000736622297 585008178 /nfs/dbraw/zinc/00/81/78/585008178.db2.gz QTJUYIZJHDIZEI-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO CCC[N@H+](CC1CC1)CC(F)(F)C(F)F ZINC000736622297 585008177 /nfs/dbraw/zinc/00/81/77/585008177.db2.gz QTJUYIZJHDIZEI-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO FC(F)C(F)(F)C[NH+](CC1CC1)CC1CC1 ZINC000736622551 585008144 /nfs/dbraw/zinc/00/81/44/585008144.db2.gz WMLNLJUIHRRQPF-UHFFFAOYSA-N 1 2 239.256 3.009 20 0 BGADLO CCC(C)(C)[N@@H+](C)CC(F)(F)C(F)F ZINC000736622735 585008204 /nfs/dbraw/zinc/00/82/04/585008204.db2.gz ZNMJJDVPIPZNSR-UHFFFAOYSA-N 1 2 215.234 3.007 20 0 BGADLO CCC(C)(C)[N@H+](C)CC(F)(F)C(F)F ZINC000736622735 585008203 /nfs/dbraw/zinc/00/82/03/585008203.db2.gz ZNMJJDVPIPZNSR-UHFFFAOYSA-N 1 2 215.234 3.007 20 0 BGADLO CC(C)[C@@H]([NH2+]Cc1nccs1)c1ccccn1 ZINC000736647050 585008436 /nfs/dbraw/zinc/00/84/36/585008436.db2.gz CNXBGDLIDHDJMU-CYBMUJFWSA-N 1 2 247.367 3.025 20 0 BGADLO CC(C)[C@H]([NH2+]Cc1nccs1)c1ccccn1 ZINC000736647051 585008547 /nfs/dbraw/zinc/00/85/47/585008547.db2.gz CNXBGDLIDHDJMU-ZDUSSCGKSA-N 1 2 247.367 3.025 20 0 BGADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1C/C=C/Cl ZINC000738882799 585053937 /nfs/dbraw/zinc/05/39/37/585053937.db2.gz VTPIMGRTSQIJCR-HTZNOQTFSA-N 1 2 239.721 3.497 20 0 BGADLO C[C@H]1c2c(F)cccc2CC[N@H+]1C/C=C/Cl ZINC000738882799 585053936 /nfs/dbraw/zinc/05/39/36/585053936.db2.gz VTPIMGRTSQIJCR-HTZNOQTFSA-N 1 2 239.721 3.497 20 0 BGADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1C/C=C/Cl ZINC000738882800 585054000 /nfs/dbraw/zinc/05/40/00/585054000.db2.gz VTPIMGRTSQIJCR-KFEJWOFMSA-N 1 2 239.721 3.497 20 0 BGADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1C/C=C/Cl ZINC000738882800 585053999 /nfs/dbraw/zinc/05/39/99/585053999.db2.gz VTPIMGRTSQIJCR-KFEJWOFMSA-N 1 2 239.721 3.497 20 0 BGADLO C[C@H]1c2c(F)cccc2CC[N@@H+]1C/C=C\Cl ZINC000738882801 585054019 /nfs/dbraw/zinc/05/40/19/585054019.db2.gz VTPIMGRTSQIJCR-NXSJDDFASA-N 1 2 239.721 3.497 20 0 BGADLO C[C@H]1c2c(F)cccc2CC[N@H+]1C/C=C\Cl ZINC000738882801 585054018 /nfs/dbraw/zinc/05/40/18/585054018.db2.gz VTPIMGRTSQIJCR-NXSJDDFASA-N 1 2 239.721 3.497 20 0 BGADLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1C/C=C\Cl ZINC000738882802 585053866 /nfs/dbraw/zinc/05/38/66/585053866.db2.gz VTPIMGRTSQIJCR-WXGCRTCVSA-N 1 2 239.721 3.497 20 0 BGADLO C[C@@H]1c2c(F)cccc2CC[N@H+]1C/C=C\Cl ZINC000738882802 585053865 /nfs/dbraw/zinc/05/38/65/585053865.db2.gz VTPIMGRTSQIJCR-WXGCRTCVSA-N 1 2 239.721 3.497 20 0 BGADLO CC(C)[N@@H+](CC(F)(F)C(F)F)C1CCC1 ZINC000740886739 585108001 /nfs/dbraw/zinc/10/80/01/585108001.db2.gz YTUKUGBPJKTSMS-UHFFFAOYSA-N 1 2 227.245 3.150 20 0 BGADLO CC(C)[N@H+](CC(F)(F)C(F)F)C1CCC1 ZINC000740886739 585108000 /nfs/dbraw/zinc/10/80/00/585108000.db2.gz YTUKUGBPJKTSMS-UHFFFAOYSA-N 1 2 227.245 3.150 20 0 BGADLO Cc1cc(NC(=O)C2CCCCCCC2)cc[nH+]1 ZINC000741689775 585116742 /nfs/dbraw/zinc/11/67/42/585116742.db2.gz HGJKOPQRRKNSDJ-UHFFFAOYSA-N 1 2 246.354 3.111 20 0 BGADLO CCOCCC[N@@H+](CC)c1ccc(C)cc1 ZINC000741782360 585118756 /nfs/dbraw/zinc/11/87/56/585118756.db2.gz TUWYCHWNBKKIEK-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO CCOCCC[N@H+](CC)c1ccc(C)cc1 ZINC000741782360 585118755 /nfs/dbraw/zinc/11/87/55/585118755.db2.gz TUWYCHWNBKKIEK-UHFFFAOYSA-N 1 2 221.344 3.248 20 0 BGADLO CCOCCC[N@@H+](C)c1ccc(C)cc1C ZINC000741783109 585118413 /nfs/dbraw/zinc/11/84/13/585118413.db2.gz WOOJRKDYPGSQKC-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO CCOCCC[N@H+](C)c1ccc(C)cc1C ZINC000741783109 585118412 /nfs/dbraw/zinc/11/84/12/585118412.db2.gz WOOJRKDYPGSQKC-UHFFFAOYSA-N 1 2 221.344 3.166 20 0 BGADLO CC[N@@H+](CC(F)(F)C(F)F)[C@H](C)C(C)C ZINC000741788695 585119266 /nfs/dbraw/zinc/11/92/66/585119266.db2.gz ZKAVMSFRZRAVCO-MRVPVSSYSA-N 1 2 229.261 3.253 20 0 BGADLO CC[N@H+](CC(F)(F)C(F)F)[C@H](C)C(C)C ZINC000741788695 585119265 /nfs/dbraw/zinc/11/92/65/585119265.db2.gz ZKAVMSFRZRAVCO-MRVPVSSYSA-N 1 2 229.261 3.253 20 0 BGADLO CC[N@@H+](CC(F)(F)C(F)F)[C@@H](C)C(C)C ZINC000741788696 585119159 /nfs/dbraw/zinc/11/91/59/585119159.db2.gz ZKAVMSFRZRAVCO-QMMMGPOBSA-N 1 2 229.261 3.253 20 0 BGADLO CC[N@H+](CC(F)(F)C(F)F)[C@@H](C)C(C)C ZINC000741788696 585119158 /nfs/dbraw/zinc/11/91/58/585119158.db2.gz ZKAVMSFRZRAVCO-QMMMGPOBSA-N 1 2 229.261 3.253 20 0 BGADLO C[C@@H]1CCC[N@@H+](CC(F)(F)C(F)F)[C@@H]1C ZINC000741791735 584956754 /nfs/dbraw/zinc/95/67/54/584956754.db2.gz ZUFLHDARLUSNHG-HTQZYQBOSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1CCC[N@H+](CC(F)(F)C(F)F)[C@@H]1C ZINC000741791735 584956753 /nfs/dbraw/zinc/95/67/53/584956753.db2.gz ZUFLHDARLUSNHG-HTQZYQBOSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(F)(F)C(F)F ZINC000741791736 584956761 /nfs/dbraw/zinc/95/67/61/584956761.db2.gz ZUFLHDARLUSNHG-JGVFFNPUSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(F)(F)C(F)F ZINC000741791736 584956760 /nfs/dbraw/zinc/95/67/60/584956760.db2.gz ZUFLHDARLUSNHG-JGVFFNPUSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1CCC[N@@H+](CC(F)(F)C(F)F)[C@H]1C ZINC000741791737 584956951 /nfs/dbraw/zinc/95/69/51/584956951.db2.gz ZUFLHDARLUSNHG-SFYZADRCSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1CCC[N@H+](CC(F)(F)C(F)F)[C@H]1C ZINC000741791737 584956950 /nfs/dbraw/zinc/95/69/50/584956950.db2.gz ZUFLHDARLUSNHG-SFYZADRCSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@H]1CCC[N@@H+](CC(F)(F)C(F)F)[C@H]1C ZINC000741791738 584956748 /nfs/dbraw/zinc/95/67/48/584956748.db2.gz ZUFLHDARLUSNHG-YUMQZZPRSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@H]1CCC[N@H+](CC(F)(F)C(F)F)[C@H]1C ZINC000741791738 584956747 /nfs/dbraw/zinc/95/67/47/584956747.db2.gz ZUFLHDARLUSNHG-YUMQZZPRSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1CCC[C@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000741794016 585119231 /nfs/dbraw/zinc/11/92/31/585119231.db2.gz QOGZRDPXIBJETK-BDAKNGLRSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCC[C@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000741794016 585119230 /nfs/dbraw/zinc/11/92/30/585119230.db2.gz QOGZRDPXIBJETK-BDAKNGLRSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(F)(F)C(F)F ZINC000741794019 585118945 /nfs/dbraw/zinc/11/89/45/585118945.db2.gz QOGZRDPXIBJETK-DTWKUNHWSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCC[C@H](C)C[N@H+]1CC(F)(F)C(F)F ZINC000741794019 585118944 /nfs/dbraw/zinc/11/89/44/585118944.db2.gz QOGZRDPXIBJETK-DTWKUNHWSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@H]1CCC[C@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000741794021 585119255 /nfs/dbraw/zinc/11/92/55/585119255.db2.gz QOGZRDPXIBJETK-IUCAKERBSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@H]1CCC[C@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000741794021 585119254 /nfs/dbraw/zinc/11/92/54/585119254.db2.gz QOGZRDPXIBJETK-IUCAKERBSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000741794023 585118859 /nfs/dbraw/zinc/11/88/59/585118859.db2.gz QOGZRDPXIBJETK-RKDXNWHRSA-N 1 2 241.272 3.397 20 0 BGADLO C[C@@H]1CCC[C@@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000741794023 585118858 /nfs/dbraw/zinc/11/88/58/585118858.db2.gz QOGZRDPXIBJETK-RKDXNWHRSA-N 1 2 241.272 3.397 20 0 BGADLO CC1(C)CCC[N@@H+](CC(F)(F)C(F)F)CC1 ZINC000741804729 585119400 /nfs/dbraw/zinc/11/94/00/585119400.db2.gz KLEQMPAFFVAWNC-UHFFFAOYSA-N 1 2 241.272 3.399 20 0 BGADLO CC1(C)CCC[N@H+](CC(F)(F)C(F)F)CC1 ZINC000741804729 585119399 /nfs/dbraw/zinc/11/93/99/585119399.db2.gz KLEQMPAFFVAWNC-UHFFFAOYSA-N 1 2 241.272 3.399 20 0 BGADLO CCCCCCC(=O)Nc1cccc2[nH+]ccn21 ZINC000741969791 585121214 /nfs/dbraw/zinc/12/12/14/585121214.db2.gz KXDHCWYFNGAATC-UHFFFAOYSA-N 1 2 245.326 3.243 20 0 BGADLO CCC/C(C)=C\C(=O)Nc1cccc2[nH+]ccn21 ZINC000741970473 585121358 /nfs/dbraw/zinc/12/13/58/585121358.db2.gz HSRRVSVREJSMTN-KHPPLWFESA-N 1 2 243.310 3.019 20 0 BGADLO CCC/C(C)=C/C(=O)Nc1cccc2[nH+]ccn21 ZINC000741970474 585121347 /nfs/dbraw/zinc/12/13/47/585121347.db2.gz HSRRVSVREJSMTN-ZHACJKMWSA-N 1 2 243.310 3.019 20 0 BGADLO CCCCCC[C@@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000742074418 585121865 /nfs/dbraw/zinc/12/18/65/585121865.db2.gz MTYLSVNALADJMH-GFCCVEGCSA-N 1 2 248.370 3.357 20 0 BGADLO CCCCCC[C@H](C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000742074420 585121862 /nfs/dbraw/zinc/12/18/62/585121862.db2.gz MTYLSVNALADJMH-LBPRGKRZSA-N 1 2 248.370 3.357 20 0 BGADLO CCC(CC)c1cc(C[NH2+]Cc2ccoc2)on1 ZINC000742377180 585125625 /nfs/dbraw/zinc/12/56/25/585125625.db2.gz JFELPTICTAUYSR-UHFFFAOYSA-N 1 2 248.326 3.461 20 0 BGADLO Cc1nc(N(C)C2CCCCCCC2)cc[nH+]1 ZINC000742399856 585125873 /nfs/dbraw/zinc/12/58/73/585125873.db2.gz WCSVAHVHJXVAEG-UHFFFAOYSA-N 1 2 233.359 3.334 20 0 BGADLO COc1cc[nH+]cc1NC(=O)/C=C(\C)C(C)(C)C ZINC000742599400 585128637 /nfs/dbraw/zinc/12/86/37/585128637.db2.gz ISYCXGMNIPOZIM-CSKARUKUSA-N 1 2 248.326 3.021 20 0 BGADLO CCCCC[C@@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000742665304 585129747 /nfs/dbraw/zinc/12/97/47/585129747.db2.gz MMJUDKVJNJTFAI-GFCCVEGCSA-N 1 2 248.370 3.357 20 0 BGADLO CCCCC[C@H](C)CC(=O)Nc1cc[nH+]c(C)c1 ZINC000742665306 585129712 /nfs/dbraw/zinc/12/97/12/585129712.db2.gz MMJUDKVJNJTFAI-LBPRGKRZSA-N 1 2 248.370 3.357 20 0 BGADLO Clc1ccc2[nH+]c(NCc3ccco3)[nH]c2c1 ZINC000743413368 585136472 /nfs/dbraw/zinc/13/64/72/585136472.db2.gz FQIDKUYQPSCUAO-UHFFFAOYSA-N 1 2 247.685 3.421 20 0 BGADLO Clc1ccc2[nH]c(NCc3ccco3)[nH+]c2c1 ZINC000743413368 585136471 /nfs/dbraw/zinc/13/64/71/585136471.db2.gz FQIDKUYQPSCUAO-UHFFFAOYSA-N 1 2 247.685 3.421 20 0 BGADLO CC(C)C1CC[NH+](CC(F)(F)C(F)F)CC1 ZINC000743851405 585140863 /nfs/dbraw/zinc/14/08/63/585140863.db2.gz GKAWJSKNHXFRRX-UHFFFAOYSA-N 1 2 241.272 3.255 20 0 BGADLO CC[C@@]1(C)CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000743860527 585141462 /nfs/dbraw/zinc/14/14/62/585141462.db2.gz KKNSPUQSSNTZCU-JTQLQIEISA-N 1 2 241.272 3.399 20 0 BGADLO CC[C@@]1(C)CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000743860527 585141461 /nfs/dbraw/zinc/14/14/61/585141461.db2.gz KKNSPUQSSNTZCU-JTQLQIEISA-N 1 2 241.272 3.399 20 0 BGADLO CC[C@]1(C)CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000743860528 585141323 /nfs/dbraw/zinc/14/13/23/585141323.db2.gz KKNSPUQSSNTZCU-SNVBAGLBSA-N 1 2 241.272 3.399 20 0 BGADLO CC[C@]1(C)CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000743860528 585141322 /nfs/dbraw/zinc/14/13/22/585141322.db2.gz KKNSPUQSSNTZCU-SNVBAGLBSA-N 1 2 241.272 3.399 20 0 BGADLO FC(F)C(F)(F)C[N@H+]1CCC2(CCCC2)C1 ZINC000743863363 585141402 /nfs/dbraw/zinc/14/14/02/585141402.db2.gz HIUQHRFHEPSUJS-UHFFFAOYSA-N 1 2 239.256 3.153 20 0 BGADLO FC(F)C(F)(F)C[N@@H+]1CCC2(CCCC2)C1 ZINC000743863363 585141401 /nfs/dbraw/zinc/14/14/01/585141401.db2.gz HIUQHRFHEPSUJS-UHFFFAOYSA-N 1 2 239.256 3.153 20 0 BGADLO C[C@@H]1CC[C@@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000743872764 585141546 /nfs/dbraw/zinc/14/15/46/585141546.db2.gz BWKMUMNMUHEMAR-HTQZYQBOSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1CC[C@@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000743872764 585141545 /nfs/dbraw/zinc/14/15/45/585141545.db2.gz BWKMUMNMUHEMAR-HTQZYQBOSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(F)(F)C(F)F ZINC000743872765 585141801 /nfs/dbraw/zinc/14/18/01/585141801.db2.gz BWKMUMNMUHEMAR-JGVFFNPUSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1CC[C@H](C)C[N@H+]1CC(F)(F)C(F)F ZINC000743872765 585141800 /nfs/dbraw/zinc/14/18/00/585141800.db2.gz BWKMUMNMUHEMAR-JGVFFNPUSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1CC[C@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000743872766 585141560 /nfs/dbraw/zinc/14/15/60/585141560.db2.gz BWKMUMNMUHEMAR-SFYZADRCSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1CC[C@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000743872766 585141559 /nfs/dbraw/zinc/14/15/59/585141559.db2.gz BWKMUMNMUHEMAR-SFYZADRCSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@H]1CC[C@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000743872767 585141857 /nfs/dbraw/zinc/14/18/57/585141857.db2.gz BWKMUMNMUHEMAR-YUMQZZPRSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@H]1CC[C@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000743872767 585141856 /nfs/dbraw/zinc/14/18/56/585141856.db2.gz BWKMUMNMUHEMAR-YUMQZZPRSA-N 1 2 227.245 3.007 20 0 BGADLO Cc1cnc(C[N@H+]2Cc3ccccc3[C@H](C)C2)o1 ZINC000744385638 585149661 /nfs/dbraw/zinc/14/96/61/585149661.db2.gz REDDFTGFTSRLMM-LLVKDONJSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cnc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)o1 ZINC000744385638 585149660 /nfs/dbraw/zinc/14/96/60/585149660.db2.gz REDDFTGFTSRLMM-LLVKDONJSA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cnc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)o1 ZINC000744385639 585149514 /nfs/dbraw/zinc/14/95/14/585149514.db2.gz REDDFTGFTSRLMM-NSHDSACASA-N 1 2 242.322 3.102 20 0 BGADLO Cc1cnc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)o1 ZINC000744385639 585149513 /nfs/dbraw/zinc/14/95/13/585149513.db2.gz REDDFTGFTSRLMM-NSHDSACASA-N 1 2 242.322 3.102 20 0 BGADLO CC[N@@H+](CCCCCCCO)c1ccccc1 ZINC000744387771 582929497 /nfs/dbraw/zinc/92/94/97/582929497.db2.gz XUYDGOBEOAEOOM-UHFFFAOYSA-N 1 2 235.371 3.456 20 0 BGADLO CC[N@H+](CCCCCCCO)c1ccccc1 ZINC000744387771 582929496 /nfs/dbraw/zinc/92/94/96/582929496.db2.gz XUYDGOBEOAEOOM-UHFFFAOYSA-N 1 2 235.371 3.456 20 0 BGADLO CCc1ccc([N@@H+](CC)CCCCCO)cc1 ZINC000744394175 585149806 /nfs/dbraw/zinc/14/98/06/585149806.db2.gz AVROBJHDYHLILN-UHFFFAOYSA-N 1 2 235.371 3.238 20 0 BGADLO CCc1ccc([N@H+](CC)CCCCCO)cc1 ZINC000744394175 585149805 /nfs/dbraw/zinc/14/98/05/585149805.db2.gz AVROBJHDYHLILN-UHFFFAOYSA-N 1 2 235.371 3.238 20 0 BGADLO CCc1ccc([N@@H+](CC)CC2(C)COC2)cc1 ZINC000744394660 585149909 /nfs/dbraw/zinc/14/99/09/585149909.db2.gz LYHGNDROTPDNQF-UHFFFAOYSA-N 1 2 233.355 3.112 20 0 BGADLO CCc1ccc([N@H+](CC)CC2(C)COC2)cc1 ZINC000744394660 585149908 /nfs/dbraw/zinc/14/99/08/585149908.db2.gz LYHGNDROTPDNQF-UHFFFAOYSA-N 1 2 233.355 3.112 20 0 BGADLO CC(C)C[C@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000745947287 585161552 /nfs/dbraw/zinc/16/15/52/585161552.db2.gz ZBDQFKKLEKLHAF-SECBINFHSA-N 1 2 241.272 3.255 20 0 BGADLO CC(C)C[C@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000745947287 585161551 /nfs/dbraw/zinc/16/15/51/585161551.db2.gz ZBDQFKKLEKLHAF-SECBINFHSA-N 1 2 241.272 3.255 20 0 BGADLO CC(C)C[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000745947288 585161603 /nfs/dbraw/zinc/16/16/03/585161603.db2.gz ZBDQFKKLEKLHAF-VIFPVBQESA-N 1 2 241.272 3.255 20 0 BGADLO CC(C)C[C@@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000745947288 585161602 /nfs/dbraw/zinc/16/16/02/585161602.db2.gz ZBDQFKKLEKLHAF-VIFPVBQESA-N 1 2 241.272 3.255 20 0 BGADLO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(F)(F)C(F)F ZINC000745948434 585161569 /nfs/dbraw/zinc/16/15/69/585161569.db2.gz IFNSWTQIRZZYKZ-HTQZYQBOSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(F)(F)C(F)F ZINC000745948434 585161568 /nfs/dbraw/zinc/16/15/68/585161568.db2.gz IFNSWTQIRZZYKZ-HTQZYQBOSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@@H]1C[C@H](C)C[N@H+]1CC(F)(F)C(F)F ZINC000745948435 585161691 /nfs/dbraw/zinc/16/16/91/585161691.db2.gz IFNSWTQIRZZYKZ-JGVFFNPUSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(F)(F)C(F)F ZINC000745948435 585161690 /nfs/dbraw/zinc/16/16/90/585161690.db2.gz IFNSWTQIRZZYKZ-JGVFFNPUSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@H]1C[C@@H](C)C[N@H+]1CC(F)(F)C(F)F ZINC000745948436 585161609 /nfs/dbraw/zinc/16/16/09/585161609.db2.gz IFNSWTQIRZZYKZ-SFYZADRCSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(F)(F)C(F)F ZINC000745948436 585161608 /nfs/dbraw/zinc/16/16/08/585161608.db2.gz IFNSWTQIRZZYKZ-SFYZADRCSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@H]1C[C@H](C)C[N@H+]1CC(F)(F)C(F)F ZINC000745948437 585161744 /nfs/dbraw/zinc/16/17/44/585161744.db2.gz IFNSWTQIRZZYKZ-YUMQZZPRSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@H]1C[C@H](C)C[N@@H+]1CC(F)(F)C(F)F ZINC000745948437 585161743 /nfs/dbraw/zinc/16/17/43/585161743.db2.gz IFNSWTQIRZZYKZ-YUMQZZPRSA-N 1 2 227.245 3.007 20 0 BGADLO CCc1ccc([N@@H+](CC)C[C@@H]2CCOC2)cc1 ZINC000746169056 585164510 /nfs/dbraw/zinc/16/45/10/585164510.db2.gz VOYRZPWDRHJMBT-AWEZNQCLSA-N 1 2 233.355 3.112 20 0 BGADLO CCc1ccc([N@H+](CC)C[C@@H]2CCOC2)cc1 ZINC000746169056 585164509 /nfs/dbraw/zinc/16/45/09/585164509.db2.gz VOYRZPWDRHJMBT-AWEZNQCLSA-N 1 2 233.355 3.112 20 0 BGADLO CCc1ccc([N@@H+](CC)C[C@H]2CCOC2)cc1 ZINC000746169058 585164403 /nfs/dbraw/zinc/16/44/03/585164403.db2.gz VOYRZPWDRHJMBT-CQSZACIVSA-N 1 2 233.355 3.112 20 0 BGADLO CCc1ccc([N@H+](CC)C[C@H]2CCOC2)cc1 ZINC000746169058 585164402 /nfs/dbraw/zinc/16/44/02/585164402.db2.gz VOYRZPWDRHJMBT-CQSZACIVSA-N 1 2 233.355 3.112 20 0 BGADLO CCc1ccc([N@@H+](CC)CCCOC)cc1 ZINC000746169126 585164505 /nfs/dbraw/zinc/16/45/05/585164505.db2.gz XUZVPMAWYDXBDP-UHFFFAOYSA-N 1 2 221.344 3.112 20 0 BGADLO CCc1ccc([N@H+](CC)CCCOC)cc1 ZINC000746169126 585164504 /nfs/dbraw/zinc/16/45/04/585164504.db2.gz XUZVPMAWYDXBDP-UHFFFAOYSA-N 1 2 221.344 3.112 20 0 BGADLO FCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000746495192 585168789 /nfs/dbraw/zinc/16/87/89/585168789.db2.gz VWYXFAUNSDYUAQ-UHFFFAOYSA-N 1 2 233.286 3.251 20 0 BGADLO FCC[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000746495192 585168788 /nfs/dbraw/zinc/16/87/88/585168788.db2.gz VWYXFAUNSDYUAQ-UHFFFAOYSA-N 1 2 233.286 3.251 20 0 BGADLO C[N@@H+](C/C(Cl)=C/Cl)Cc1ccccc1 ZINC000746495489 585169000 /nfs/dbraw/zinc/16/90/00/585169000.db2.gz PYGBJEQQHKBGOY-XFFZJAGNSA-N 1 2 230.138 3.437 20 0 BGADLO C[N@H+](C/C(Cl)=C/Cl)Cc1ccccc1 ZINC000746495489 585168999 /nfs/dbraw/zinc/16/89/99/585168999.db2.gz PYGBJEQQHKBGOY-XFFZJAGNSA-N 1 2 230.138 3.437 20 0 BGADLO C[N@@H+](C/C(Cl)=C\Cl)Cc1ccccc1 ZINC000746495490 585168937 /nfs/dbraw/zinc/16/89/37/585168937.db2.gz PYGBJEQQHKBGOY-YRNVUSSQSA-N 1 2 230.138 3.437 20 0 BGADLO C[N@H+](C/C(Cl)=C\Cl)Cc1ccccc1 ZINC000746495490 585168936 /nfs/dbraw/zinc/16/89/36/585168936.db2.gz PYGBJEQQHKBGOY-YRNVUSSQSA-N 1 2 230.138 3.437 20 0 BGADLO Cl/C=C(\Cl)C[N@H+]1CCc2ccccc2C1 ZINC000746496071 585168823 /nfs/dbraw/zinc/16/88/23/585168823.db2.gz SXJQSOVHZAJNHV-GHXNOFRVSA-N 1 2 242.149 3.364 20 0 BGADLO Cl/C=C(\Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000746496071 585168822 /nfs/dbraw/zinc/16/88/22/585168822.db2.gz SXJQSOVHZAJNHV-GHXNOFRVSA-N 1 2 242.149 3.364 20 0 BGADLO Cl/C=C(/Cl)C[N@H+]1CCc2ccccc2C1 ZINC000746496073 585168792 /nfs/dbraw/zinc/16/87/92/585168792.db2.gz SXJQSOVHZAJNHV-KPKJPENVSA-N 1 2 242.149 3.364 20 0 BGADLO Cl/C=C(/Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000746496073 585168791 /nfs/dbraw/zinc/16/87/91/585168791.db2.gz SXJQSOVHZAJNHV-KPKJPENVSA-N 1 2 242.149 3.364 20 0 BGADLO FCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000746500978 585169161 /nfs/dbraw/zinc/16/91/61/585169161.db2.gz YFBRYXYZGQBMQC-UHFFFAOYSA-N 1 2 239.315 3.313 20 0 BGADLO FCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000746500978 585169160 /nfs/dbraw/zinc/16/91/60/585169160.db2.gz YFBRYXYZGQBMQC-UHFFFAOYSA-N 1 2 239.315 3.313 20 0 BGADLO CC[N@@H+](CCC(C)(C)O)c1ccc(C)cc1C ZINC000746502075 585169306 /nfs/dbraw/zinc/16/93/06/585169306.db2.gz CLMOOZOMKKHKSN-UHFFFAOYSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC(C)(C)O)c1ccc(C)cc1C ZINC000746502075 585169305 /nfs/dbraw/zinc/16/93/05/585169305.db2.gz CLMOOZOMKKHKSN-UHFFFAOYSA-N 1 2 235.371 3.291 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCF)C2CC2)o1 ZINC000746503367 585168169 /nfs/dbraw/zinc/16/81/69/585168169.db2.gz RBEFJYOYDVABQA-GWCFXTLKSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCF)C2CC2)o1 ZINC000746503367 585168168 /nfs/dbraw/zinc/16/81/68/585168168.db2.gz RBEFJYOYDVABQA-GWCFXTLKSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCF)C2CC2)o1 ZINC000746503369 585168267 /nfs/dbraw/zinc/16/82/67/585168267.db2.gz RBEFJYOYDVABQA-GXFFZTMASA-N 1 2 237.318 3.337 20 0 BGADLO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCF)C2CC2)o1 ZINC000746503369 585168266 /nfs/dbraw/zinc/16/82/66/585168266.db2.gz RBEFJYOYDVABQA-GXFFZTMASA-N 1 2 237.318 3.337 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCF)C2CC2)o1 ZINC000746503371 585168473 /nfs/dbraw/zinc/16/84/73/585168473.db2.gz RBEFJYOYDVABQA-MFKMUULPSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCF)C2CC2)o1 ZINC000746503371 585168472 /nfs/dbraw/zinc/16/84/72/585168472.db2.gz RBEFJYOYDVABQA-MFKMUULPSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCF)C2CC2)o1 ZINC000746503374 585168409 /nfs/dbraw/zinc/16/84/09/585168409.db2.gz RBEFJYOYDVABQA-ZWNOBZJWSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCF)C2CC2)o1 ZINC000746503374 585168408 /nfs/dbraw/zinc/16/84/08/585168408.db2.gz RBEFJYOYDVABQA-ZWNOBZJWSA-N 1 2 237.318 3.337 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@@H+](C)CCF ZINC000746503468 584796801 /nfs/dbraw/zinc/79/68/01/584796801.db2.gz RTCSOWXISFSWBP-SECBINFHSA-N 1 2 215.699 3.302 20 0 BGADLO C[C@H](c1ccccc1Cl)[N@H+](C)CCF ZINC000746503468 584796800 /nfs/dbraw/zinc/79/68/00/584796800.db2.gz RTCSOWXISFSWBP-SECBINFHSA-N 1 2 215.699 3.302 20 0 BGADLO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCF ZINC000746503471 584796781 /nfs/dbraw/zinc/79/67/81/584796781.db2.gz RTCSOWXISFSWBP-VIFPVBQESA-N 1 2 215.699 3.302 20 0 BGADLO C[C@@H](c1ccccc1Cl)[N@H+](C)CCF ZINC000746503471 584796779 /nfs/dbraw/zinc/79/67/79/584796779.db2.gz RTCSOWXISFSWBP-VIFPVBQESA-N 1 2 215.699 3.302 20 0 BGADLO C[C@H]1C[N@@H+](CC(F)(F)C(F)F)C(C)(C)C1 ZINC000746678267 585171796 /nfs/dbraw/zinc/17/17/96/585171796.db2.gz NUPXLRHTQFRSOT-SSDOTTSWSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@H]1C[N@H+](CC(F)(F)C(F)F)C(C)(C)C1 ZINC000746678267 585171795 /nfs/dbraw/zinc/17/17/95/585171795.db2.gz NUPXLRHTQFRSOT-SSDOTTSWSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1C[N@@H+](CC(F)(F)C(F)F)C(C)(C)C1 ZINC000746678268 585171923 /nfs/dbraw/zinc/17/19/23/585171923.db2.gz NUPXLRHTQFRSOT-ZETCQYMHSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1C[N@H+](CC(F)(F)C(F)F)C(C)(C)C1 ZINC000746678268 585171922 /nfs/dbraw/zinc/17/19/22/585171922.db2.gz NUPXLRHTQFRSOT-ZETCQYMHSA-N 1 2 227.245 3.007 20 0 BGADLO CC(=CC(=O)Nc1cc(C)[nH+]cc1C)C(C)(C)C ZINC000747112310 585175173 /nfs/dbraw/zinc/17/51/73/585175173.db2.gz NLZWJDGSNMZJAV-XFFZJAGNSA-N 1 2 246.354 3.051 20 0 BGADLO CC(=CC(=O)Nc1cc(C)[nH+]cc1C)C(C)(C)C ZINC000747112312 585175060 /nfs/dbraw/zinc/17/50/60/585175060.db2.gz NLZWJDGSNMZJAV-YRNVUSSQSA-N 1 2 246.354 3.051 20 0 BGADLO Cc1occc1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000747803140 585184604 /nfs/dbraw/zinc/18/46/04/585184604.db2.gz AFPFUZORIYNBPZ-UHFFFAOYSA-N 1 2 245.326 3.422 20 0 BGADLO CCOc1ccc(SCc2c[nH+]cn2C)cc1 ZINC000748653055 585194639 /nfs/dbraw/zinc/19/46/39/585194639.db2.gz YIBJFXAFSVZWGE-UHFFFAOYSA-N 1 2 248.351 3.111 20 0 BGADLO CC[C@@H](C)C[N@@H+](CC)CC(F)(F)C(F)F ZINC000748828454 585196895 /nfs/dbraw/zinc/19/68/95/585196895.db2.gz IAQNKEVFOSEKHU-MRVPVSSYSA-N 1 2 229.261 3.255 20 0 BGADLO CC[C@@H](C)C[N@H+](CC)CC(F)(F)C(F)F ZINC000748828454 585196894 /nfs/dbraw/zinc/19/68/94/585196894.db2.gz IAQNKEVFOSEKHU-MRVPVSSYSA-N 1 2 229.261 3.255 20 0 BGADLO CC[C@H](C)C[N@@H+](CC)CC(F)(F)C(F)F ZINC000748828455 585196923 /nfs/dbraw/zinc/19/69/23/585196923.db2.gz IAQNKEVFOSEKHU-QMMMGPOBSA-N 1 2 229.261 3.255 20 0 BGADLO CC[C@H](C)C[N@H+](CC)CC(F)(F)C(F)F ZINC000748828455 585196922 /nfs/dbraw/zinc/19/69/22/585196922.db2.gz IAQNKEVFOSEKHU-QMMMGPOBSA-N 1 2 229.261 3.255 20 0 BGADLO Fc1cccc([C@H]2CC[N@H+]2C/C=C\Cl)c1 ZINC000749116117 583581376 /nfs/dbraw/zinc/58/13/76/583581376.db2.gz WFRZBEVZCQTKSP-DBGMKRSLSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1cccc([C@H]2CC[N@@H+]2C/C=C\Cl)c1 ZINC000749116117 583581375 /nfs/dbraw/zinc/58/13/75/583581375.db2.gz WFRZBEVZCQTKSP-DBGMKRSLSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1cccc([C@@H]2CC[N@H+]2C/C=C\Cl)c1 ZINC000749116120 583581468 /nfs/dbraw/zinc/58/14/68/583581468.db2.gz WFRZBEVZCQTKSP-DWMUBGRBSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1cccc([C@@H]2CC[N@@H+]2C/C=C\Cl)c1 ZINC000749116120 583581466 /nfs/dbraw/zinc/58/14/66/583581466.db2.gz WFRZBEVZCQTKSP-DWMUBGRBSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1cccc([C@@H]2CC[N@H+]2C/C=C/Cl)c1 ZINC000749116122 583581347 /nfs/dbraw/zinc/58/13/47/583581347.db2.gz WFRZBEVZCQTKSP-QSLRECBCSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1cccc([C@@H]2CC[N@@H+]2C/C=C/Cl)c1 ZINC000749116122 583581345 /nfs/dbraw/zinc/58/13/45/583581345.db2.gz WFRZBEVZCQTKSP-QSLRECBCSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1cccc([C@H]2CC[N@H+]2C/C=C/Cl)c1 ZINC000749116126 583581480 /nfs/dbraw/zinc/58/14/80/583581480.db2.gz WFRZBEVZCQTKSP-RDNKVPPGSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1cccc([C@H]2CC[N@@H+]2C/C=C/Cl)c1 ZINC000749116126 583581478 /nfs/dbraw/zinc/58/14/78/583581478.db2.gz WFRZBEVZCQTKSP-RDNKVPPGSA-N 1 2 225.694 3.325 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2nccs2)Cc2ccccc21 ZINC000749515505 585203298 /nfs/dbraw/zinc/20/32/98/585203298.db2.gz SMCYUVGUKXSMAK-LLVKDONJSA-N 1 2 244.363 3.262 20 0 BGADLO C[C@@H]1C[N@H+](Cc2nccs2)Cc2ccccc21 ZINC000749515505 585203297 /nfs/dbraw/zinc/20/32/97/585203297.db2.gz SMCYUVGUKXSMAK-LLVKDONJSA-N 1 2 244.363 3.262 20 0 BGADLO C[C@H]1C[N@@H+](Cc2nccs2)Cc2ccccc21 ZINC000749515507 585203372 /nfs/dbraw/zinc/20/33/72/585203372.db2.gz SMCYUVGUKXSMAK-NSHDSACASA-N 1 2 244.363 3.262 20 0 BGADLO C[C@H]1C[N@H+](Cc2nccs2)Cc2ccccc21 ZINC000749515507 585203371 /nfs/dbraw/zinc/20/33/71/585203371.db2.gz SMCYUVGUKXSMAK-NSHDSACASA-N 1 2 244.363 3.262 20 0 BGADLO CCc1ccc([N@@H+](CC)CCC(C)(C)O)cc1 ZINC000749842498 585207276 /nfs/dbraw/zinc/20/72/76/585207276.db2.gz PZYGKRPFWDDQJO-UHFFFAOYSA-N 1 2 235.371 3.236 20 0 BGADLO CCc1ccc([N@H+](CC)CCC(C)(C)O)cc1 ZINC000749842498 585207275 /nfs/dbraw/zinc/20/72/75/585207275.db2.gz PZYGKRPFWDDQJO-UHFFFAOYSA-N 1 2 235.371 3.236 20 0 BGADLO FC(F)C(F)(F)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000750059377 585209941 /nfs/dbraw/zinc/20/99/41/585209941.db2.gz GHGMQGURKYQXPN-DTORHVGOSA-N 1 2 239.256 3.009 20 0 BGADLO FC(F)C(F)(F)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000750059377 585209940 /nfs/dbraw/zinc/20/99/40/585209940.db2.gz GHGMQGURKYQXPN-DTORHVGOSA-N 1 2 239.256 3.009 20 0 BGADLO FC(F)C(F)(F)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000750059381 585209851 /nfs/dbraw/zinc/20/98/51/585209851.db2.gz GHGMQGURKYQXPN-IUCAKERBSA-N 1 2 239.256 3.009 20 0 BGADLO FC(F)C(F)(F)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000750059383 585209488 /nfs/dbraw/zinc/20/94/88/585209488.db2.gz GHGMQGURKYQXPN-RKDXNWHRSA-N 1 2 239.256 3.009 20 0 BGADLO Cc1ccc([N@@H+](C)CCCCCCO)cc1C ZINC000750184792 585211973 /nfs/dbraw/zinc/21/19/73/585211973.db2.gz PHKWFYRTURMZRD-UHFFFAOYSA-N 1 2 235.371 3.292 20 0 BGADLO Cc1ccc([N@H+](C)CCCCCCO)cc1C ZINC000750184792 585211972 /nfs/dbraw/zinc/21/19/72/585211972.db2.gz PHKWFYRTURMZRD-UHFFFAOYSA-N 1 2 235.371 3.292 20 0 BGADLO CCCCCCNc1[nH+]c(C)nc2[nH]ccc21 ZINC000751218527 585226224 /nfs/dbraw/zinc/22/62/24/585226224.db2.gz ALRMAQTZTRBSLG-UHFFFAOYSA-N 1 2 232.331 3.210 20 0 BGADLO CCN(Cc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000751470454 585231200 /nfs/dbraw/zinc/23/12/00/585231200.db2.gz CISVBDOJFMBFAA-UHFFFAOYSA-N 1 2 249.745 3.100 20 0 BGADLO C[C@@H]([N@@H+](C)CC(F)(F)C(F)F)C1(C)CC1 ZINC000752356670 585244979 /nfs/dbraw/zinc/24/49/79/585244979.db2.gz RYZOSDGVUZQEOO-SSDOTTSWSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]([N@H+](C)CC(F)(F)C(F)F)C1(C)CC1 ZINC000752356670 585244978 /nfs/dbraw/zinc/24/49/78/585244978.db2.gz RYZOSDGVUZQEOO-SSDOTTSWSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@H]([N@@H+](C)CC(F)(F)C(F)F)C1(C)CC1 ZINC000752356715 585244903 /nfs/dbraw/zinc/24/49/03/585244903.db2.gz RYZOSDGVUZQEOO-ZETCQYMHSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@H]([N@H+](C)CC(F)(F)C(F)F)C1(C)CC1 ZINC000752356715 585244902 /nfs/dbraw/zinc/24/49/02/585244902.db2.gz RYZOSDGVUZQEOO-ZETCQYMHSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H](SCc1c[nH+]cn1C)c1cccs1 ZINC000753059201 585252738 /nfs/dbraw/zinc/25/27/38/585252738.db2.gz FWVSLPLOCXRMCU-SECBINFHSA-N 1 2 238.381 3.476 20 0 BGADLO C[C@H](SCc1c[nH+]cn1C)c1cccs1 ZINC000753059202 585252799 /nfs/dbraw/zinc/25/27/99/585252799.db2.gz FWVSLPLOCXRMCU-VIFPVBQESA-N 1 2 238.381 3.476 20 0 BGADLO Fc1ccc(F)c2c1CC[N@@H+](C/C=C\Cl)C2 ZINC000753140288 585254346 /nfs/dbraw/zinc/25/43/46/585254346.db2.gz YZPLOHHSHUEGMT-KTAJNNJTSA-N 1 2 243.684 3.075 20 0 BGADLO Fc1ccc(F)c2c1CC[N@H+](C/C=C\Cl)C2 ZINC000753140288 585254345 /nfs/dbraw/zinc/25/43/45/585254345.db2.gz YZPLOHHSHUEGMT-KTAJNNJTSA-N 1 2 243.684 3.075 20 0 BGADLO CCCCCC(C)(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000753296955 585256342 /nfs/dbraw/zinc/25/63/42/585256342.db2.gz AWYZZGWUJVUDMF-UHFFFAOYSA-N 1 2 248.370 3.357 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCC(C)(C)C2)cc1CO ZINC000753725976 584905628 /nfs/dbraw/zinc/90/56/28/584905628.db2.gz OQWSJHYSVIVYNH-CYBMUJFWSA-N 1 2 249.354 3.178 20 0 BGADLO COc1ccc([NH2+][C@H]2CCC(C)(C)C2)cc1CO ZINC000753725988 584905478 /nfs/dbraw/zinc/90/54/78/584905478.db2.gz OQWSJHYSVIVYNH-ZDUSSCGKSA-N 1 2 249.354 3.178 20 0 BGADLO CC1(C)CC[C@@H]([NH2+]c2ccc(OCCO)cc2)C1 ZINC000753726614 585267465 /nfs/dbraw/zinc/26/74/65/585267465.db2.gz LWGBFTWIPHEGJU-CYBMUJFWSA-N 1 2 249.354 3.048 20 0 BGADLO CC1(C)CC[C@H]([NH2+]c2ccc(OCCO)cc2)C1 ZINC000753726615 585267627 /nfs/dbraw/zinc/26/76/27/585267627.db2.gz LWGBFTWIPHEGJU-ZDUSSCGKSA-N 1 2 249.354 3.048 20 0 BGADLO Cc1cc(N[C@H](C)[C@@H]2CCCO2)ccc1[NH+](C)C ZINC000753726679 585267649 /nfs/dbraw/zinc/26/76/49/585267649.db2.gz SSGZHIYPGHOMCZ-DOMZBBRYSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc(N[C@H](C)[C@H]2CCCO2)ccc1[NH+](C)C ZINC000753726680 585267400 /nfs/dbraw/zinc/26/74/00/585267400.db2.gz SSGZHIYPGHOMCZ-IUODEOHRSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc(N[C@@H](C)[C@H]2CCCO2)ccc1[NH+](C)C ZINC000753726681 585267345 /nfs/dbraw/zinc/26/73/45/585267345.db2.gz SSGZHIYPGHOMCZ-SWLSCSKDSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc(N[C@@H](C)[C@@H]2CCCO2)ccc1[NH+](C)C ZINC000753726682 585267630 /nfs/dbraw/zinc/26/76/30/585267630.db2.gz SSGZHIYPGHOMCZ-WFASDCNBSA-N 1 2 248.370 3.040 20 0 BGADLO CC(C)(C)Oc1cc[nH+]cc1NCc1ccoc1 ZINC000754064022 585277178 /nfs/dbraw/zinc/27/71/78/585277178.db2.gz LDAJSMMZTXZCCE-UHFFFAOYSA-N 1 2 246.310 3.464 20 0 BGADLO COCCOc1ccc([NH2+]C[C@@H]2C[C@@H]2C)c(C)c1 ZINC000754123474 585278796 /nfs/dbraw/zinc/27/87/96/585278796.db2.gz AQELEQGRJMOZLR-AAEUAGOBSA-N 1 2 249.354 3.088 20 0 BGADLO COCCOc1ccc([NH2+]C[C@H]2C[C@H]2C)c(C)c1 ZINC000754123476 585278786 /nfs/dbraw/zinc/27/87/86/585278786.db2.gz AQELEQGRJMOZLR-DGCLKSJQSA-N 1 2 249.354 3.088 20 0 BGADLO COCCOc1ccc([NH2+]C[C@H]2C[C@@H]2C)c(C)c1 ZINC000754123479 585278957 /nfs/dbraw/zinc/27/89/57/585278957.db2.gz AQELEQGRJMOZLR-WCQYABFASA-N 1 2 249.354 3.088 20 0 BGADLO COCCOc1ccc([NH2+]C[C@@H]2C[C@H]2C)c(C)c1 ZINC000754123483 585278912 /nfs/dbraw/zinc/27/89/12/585278912.db2.gz AQELEQGRJMOZLR-YPMHNXCESA-N 1 2 249.354 3.088 20 0 BGADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc(OCC(F)F)cc1 ZINC000754126712 584913442 /nfs/dbraw/zinc/91/34/42/584913442.db2.gz IMOMIWVLTKPFFO-NXEZZACHSA-N 1 2 241.281 3.398 20 0 BGADLO C[C@H]1C[C@H]1C[NH2+]c1ccc(OCC(F)F)cc1 ZINC000754126714 584913367 /nfs/dbraw/zinc/91/33/67/584913367.db2.gz IMOMIWVLTKPFFO-UWVGGRQHSA-N 1 2 241.281 3.398 20 0 BGADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc(OCC(F)F)cc1 ZINC000754126717 584913554 /nfs/dbraw/zinc/91/35/54/584913554.db2.gz IMOMIWVLTKPFFO-VHSXEESVSA-N 1 2 241.281 3.398 20 0 BGADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc(OCC(F)F)cc1 ZINC000754126719 584913503 /nfs/dbraw/zinc/91/35/03/584913503.db2.gz IMOMIWVLTKPFFO-ZJUUUORDSA-N 1 2 241.281 3.398 20 0 BGADLO Cc1cc(N(C)C)cc(C)c1[NH2+]C[C@@H]1C[C@@H]1C ZINC000754147912 585279289 /nfs/dbraw/zinc/27/92/89/585279289.db2.gz GXFHDEGTBHXZMU-GWCFXTLKSA-N 1 2 232.371 3.437 20 0 BGADLO Cc1cc(N(C)C)cc(C)c1[NH2+]C[C@H]1C[C@@H]1C ZINC000754147922 585279269 /nfs/dbraw/zinc/27/92/69/585279269.db2.gz GXFHDEGTBHXZMU-GXFFZTMASA-N 1 2 232.371 3.437 20 0 BGADLO Cc1cc(N(C)C)cc(C)c1[NH2+]C[C@@H]1C[C@H]1C ZINC000754147928 585279303 /nfs/dbraw/zinc/27/93/03/585279303.db2.gz GXFHDEGTBHXZMU-MFKMUULPSA-N 1 2 232.371 3.437 20 0 BGADLO Cc1cc(N(C)C)cc(C)c1[NH2+]C[C@H]1C[C@H]1C ZINC000754147933 585279307 /nfs/dbraw/zinc/27/93/07/585279307.db2.gz GXFHDEGTBHXZMU-ZWNOBZJWSA-N 1 2 232.371 3.437 20 0 BGADLO CC(C)CCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000754276652 585281714 /nfs/dbraw/zinc/28/17/14/585281714.db2.gz QHAYUVSRRVBWFM-UHFFFAOYSA-N 1 2 240.734 3.233 20 0 BGADLO CCCCO[NH+]=C(N)Cc1ccccc1Cl ZINC000754277576 584916631 /nfs/dbraw/zinc/91/66/31/584916631.db2.gz LYPJHIBBZTZUJV-UHFFFAOYSA-N 1 2 240.734 3.181 20 0 BGADLO Cc1ccc(C(N)=[NH+]OCCC(C)C)cc1F ZINC000754278067 585281661 /nfs/dbraw/zinc/28/16/61/585281661.db2.gz QPEDSHRCGJBLTI-UHFFFAOYSA-N 1 2 238.306 3.027 20 0 BGADLO CC(C)CO[NH+]=C(N)Cc1ccccc1Cl ZINC000754278171 585281745 /nfs/dbraw/zinc/28/17/45/585281745.db2.gz RMLIDEIBKQIZFU-UHFFFAOYSA-N 1 2 240.734 3.037 20 0 BGADLO CCCO[NH+]=C(N)c1cccc2ccccc21 ZINC000754278964 585281677 /nfs/dbraw/zinc/28/16/77/585281677.db2.gz ARWMJJNCRTZKPG-UHFFFAOYSA-N 1 2 228.295 3.096 20 0 BGADLO CC(C)CO[NH+]=C(N)c1cccc2ccccc21 ZINC000754279279 585281787 /nfs/dbraw/zinc/28/17/87/585281787.db2.gz FIRGSTZULBGMBA-UHFFFAOYSA-N 1 2 242.322 3.342 20 0 BGADLO CC(C)CO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000754287579 585281981 /nfs/dbraw/zinc/28/19/81/585281981.db2.gz CAIHCZCILSCOGW-UHFFFAOYSA-N 1 2 240.734 3.037 20 0 BGADLO CCCCO[NH+]=C(N)Cc1ccc(Cl)cc1 ZINC000754294131 585282342 /nfs/dbraw/zinc/28/23/42/585282342.db2.gz ZQGQMXMKZGYEKF-UHFFFAOYSA-N 1 2 240.734 3.181 20 0 BGADLO CCCCCCNc1cc[nH+]c2ccncc12 ZINC000754469472 585285035 /nfs/dbraw/zinc/28/50/35/585285035.db2.gz BLEBFGGORQVXJS-UHFFFAOYSA-N 1 2 229.327 3.044 20 0 BGADLO C[C@H](CNc1cc[nH+]c2ccncc12)C(C)(C)C ZINC000754488208 585285314 /nfs/dbraw/zinc/28/53/14/585285314.db2.gz GHHKNICIUUZRTG-LLVKDONJSA-N 1 2 243.354 3.146 20 0 BGADLO C[C@@H](CNc1cc[nH+]c2ccncc12)C(C)(C)C ZINC000754488210 585285276 /nfs/dbraw/zinc/28/52/76/585285276.db2.gz GHHKNICIUUZRTG-NSHDSACASA-N 1 2 243.354 3.146 20 0 BGADLO CCC(CC)OC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000754880994 585291897 /nfs/dbraw/zinc/29/18/97/585291897.db2.gz CUIJLBIWVZJJIU-AWEZNQCLSA-N 1 2 249.354 3.021 20 0 BGADLO CCC(CC)OC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000754881287 585291925 /nfs/dbraw/zinc/29/19/25/585291925.db2.gz CUIJLBIWVZJJIU-CQSZACIVSA-N 1 2 249.354 3.021 20 0 BGADLO CC[N@@H+](CCc1ccc(F)c(F)c1)CC(F)F ZINC000755220377 585296440 /nfs/dbraw/zinc/29/64/40/585296440.db2.gz ANSNDXXYDAYHAM-UHFFFAOYSA-N 1 2 249.251 3.094 20 0 BGADLO CC[N@H+](CCc1ccc(F)c(F)c1)CC(F)F ZINC000755220377 585296439 /nfs/dbraw/zinc/29/64/39/585296439.db2.gz ANSNDXXYDAYHAM-UHFFFAOYSA-N 1 2 249.251 3.094 20 0 BGADLO CC[N@@H+](CC(F)F)C[C@H]1CCc2ccccc21 ZINC000755227542 585296474 /nfs/dbraw/zinc/29/64/74/585296474.db2.gz MKBPKOWDTDNNDB-GFCCVEGCSA-N 1 2 239.309 3.303 20 0 BGADLO CC[N@H+](CC(F)F)C[C@H]1CCc2ccccc21 ZINC000755227542 585296473 /nfs/dbraw/zinc/29/64/73/585296473.db2.gz MKBPKOWDTDNNDB-GFCCVEGCSA-N 1 2 239.309 3.303 20 0 BGADLO CC[N@@H+](CC(F)F)C[C@@H]1CCc2ccccc21 ZINC000755227544 585296382 /nfs/dbraw/zinc/29/63/82/585296382.db2.gz MKBPKOWDTDNNDB-LBPRGKRZSA-N 1 2 239.309 3.303 20 0 BGADLO CC[N@H+](CC(F)F)C[C@@H]1CCc2ccccc21 ZINC000755227544 585296381 /nfs/dbraw/zinc/29/63/81/585296381.db2.gz MKBPKOWDTDNNDB-LBPRGKRZSA-N 1 2 239.309 3.303 20 0 BGADLO Cl/C=C\C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000755309445 585297373 /nfs/dbraw/zinc/29/73/73/585297373.db2.gz IDUXYOZDFNQDGG-IRBQFCFKSA-N 1 2 243.778 3.020 20 0 BGADLO Cl/C=C\C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000755309445 585297372 /nfs/dbraw/zinc/29/73/72/585297372.db2.gz IDUXYOZDFNQDGG-IRBQFCFKSA-N 1 2 243.778 3.020 20 0 BGADLO Cl/C=C\C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000755309446 585297528 /nfs/dbraw/zinc/29/75/28/585297528.db2.gz IDUXYOZDFNQDGG-LLPBQKLSSA-N 1 2 243.778 3.020 20 0 BGADLO Cl/C=C\C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000755309446 585297527 /nfs/dbraw/zinc/29/75/27/585297527.db2.gz IDUXYOZDFNQDGG-LLPBQKLSSA-N 1 2 243.778 3.020 20 0 BGADLO Cl/C=C/C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000755309447 585297320 /nfs/dbraw/zinc/29/73/20/585297320.db2.gz IDUXYOZDFNQDGG-LVDDQXARSA-N 1 2 243.778 3.020 20 0 BGADLO Cl/C=C/C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000755309447 585297319 /nfs/dbraw/zinc/29/73/19/585297319.db2.gz IDUXYOZDFNQDGG-LVDDQXARSA-N 1 2 243.778 3.020 20 0 BGADLO Cl/C=C/C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000755309448 585297437 /nfs/dbraw/zinc/29/74/37/585297437.db2.gz IDUXYOZDFNQDGG-WXJAXGNASA-N 1 2 243.778 3.020 20 0 BGADLO Cl/C=C/C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000755309448 585297436 /nfs/dbraw/zinc/29/74/36/585297436.db2.gz IDUXYOZDFNQDGG-WXJAXGNASA-N 1 2 243.778 3.020 20 0 BGADLO Cc1ccc(NC(=O)C[C@@H](C)C2CC2)c(C)[nH+]1 ZINC000755607546 585302223 /nfs/dbraw/zinc/30/22/23/585302223.db2.gz NXMNNVNMOMWJPQ-SECBINFHSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1ccc(NC(=O)C[C@H](C)C2CC2)c(C)[nH+]1 ZINC000755607647 585302248 /nfs/dbraw/zinc/30/22/48/585302248.db2.gz NXMNNVNMOMWJPQ-VIFPVBQESA-N 1 2 232.327 3.073 20 0 BGADLO CCC/C(C)=C\C(=O)Nc1ccc(C)[nH+]c1C ZINC000755608466 585302422 /nfs/dbraw/zinc/30/24/22/585302422.db2.gz UUVROFKIZOSFFA-KTKRTIGZSA-N 1 2 232.327 3.383 20 0 BGADLO CCC/C(C)=C/C(=O)Nc1ccc(C)[nH+]c1C ZINC000755608467 585302417 /nfs/dbraw/zinc/30/24/17/585302417.db2.gz UUVROFKIZOSFFA-MDZDMXLPSA-N 1 2 232.327 3.383 20 0 BGADLO Cc1ccc(NC(=O)C=C2CCCC2)c(C)[nH+]1 ZINC000755608557 585302333 /nfs/dbraw/zinc/30/23/33/585302333.db2.gz VOOXCRYKOFZQJX-UHFFFAOYSA-N 1 2 230.311 3.137 20 0 BGADLO Cc1ccc(NC(=O)NCCC2CCC2)c(C)[nH+]1 ZINC000755840345 585308588 /nfs/dbraw/zinc/30/85/88/585308588.db2.gz WYXQDMILOCJXQE-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO CCC1(CC)CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000756024326 585313384 /nfs/dbraw/zinc/31/33/84/585313384.db2.gz VXVYKVGPYWXTAG-UHFFFAOYSA-N 1 2 241.272 3.399 20 0 BGADLO CCC1(CC)CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000756024326 585313383 /nfs/dbraw/zinc/31/33/83/585313383.db2.gz VXVYKVGPYWXTAG-UHFFFAOYSA-N 1 2 241.272 3.399 20 0 BGADLO COCC(C)(C)C[N@@H+](C)c1ccc(C)cc1 ZINC000756098858 585314480 /nfs/dbraw/zinc/31/44/80/585314480.db2.gz GWCOZLGQRIHNNT-UHFFFAOYSA-N 1 2 221.344 3.104 20 0 BGADLO COCC(C)(C)C[N@H+](C)c1ccc(C)cc1 ZINC000756098858 585314479 /nfs/dbraw/zinc/31/44/79/585314479.db2.gz GWCOZLGQRIHNNT-UHFFFAOYSA-N 1 2 221.344 3.104 20 0 BGADLO COCC(C)(C)C[N@H+]1CCCc2cc(C)ccc21 ZINC000756100414 585314354 /nfs/dbraw/zinc/31/43/54/585314354.db2.gz KENZNIDHIWRXNQ-UHFFFAOYSA-N 1 2 247.382 3.420 20 0 BGADLO COCC(C)(C)C[N@@H+]1CCCc2cc(C)ccc21 ZINC000756100414 585314353 /nfs/dbraw/zinc/31/43/53/585314353.db2.gz KENZNIDHIWRXNQ-UHFFFAOYSA-N 1 2 247.382 3.420 20 0 BGADLO Cc1cc(NCCC2CCC2)nc(C2CC2)[nH+]1 ZINC000756136131 585314911 /nfs/dbraw/zinc/31/49/11/585314911.db2.gz FUOTUJOWCVZBRV-UHFFFAOYSA-N 1 2 231.343 3.265 20 0 BGADLO Cc1ccc([C@@H]([NH2+]Cc2ccon2)C2CCC2)o1 ZINC000756634490 585321867 /nfs/dbraw/zinc/32/18/67/585321867.db2.gz ABTDCYPXZNMNDZ-AWEZNQCLSA-N 1 2 246.310 3.207 20 0 BGADLO Cc1ccc([C@H]([NH2+]Cc2ccon2)C2CCC2)o1 ZINC000756634491 585321853 /nfs/dbraw/zinc/32/18/53/585321853.db2.gz ABTDCYPXZNMNDZ-CQSZACIVSA-N 1 2 246.310 3.207 20 0 BGADLO COc1ccc([NH2+]CCCOC(C)(C)C)cc1 ZINC000756813282 585323671 /nfs/dbraw/zinc/32/36/71/585323671.db2.gz QAHJPQQZQNKQME-UHFFFAOYSA-N 1 2 237.343 3.312 20 0 BGADLO c1ccc(NCc2cnc3ccccc3c2)[nH+]c1 ZINC000757508746 585339267 /nfs/dbraw/zinc/33/92/67/585339267.db2.gz LHBHWNLCQYNZOP-UHFFFAOYSA-N 1 2 235.290 3.242 20 0 BGADLO CCOc1cc[nH+]c(-c2ccc(OC)c(F)c2)c1 ZINC000757573857 586383047 /nfs/dbraw/zinc/38/30/47/586383047.db2.gz ZGVNBSPNUXUARK-UHFFFAOYSA-N 1 2 247.269 3.295 20 0 BGADLO CCC[C@@H]1CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000757850832 585346228 /nfs/dbraw/zinc/34/62/28/585346228.db2.gz XNDLZPZOFVOPMS-SECBINFHSA-N 1 2 241.272 3.399 20 0 BGADLO CCC[C@@H]1CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000757850832 585346227 /nfs/dbraw/zinc/34/62/27/585346227.db2.gz XNDLZPZOFVOPMS-SECBINFHSA-N 1 2 241.272 3.399 20 0 BGADLO CCC[C@H]1CCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000757850836 585345992 /nfs/dbraw/zinc/34/59/92/585345992.db2.gz XNDLZPZOFVOPMS-VIFPVBQESA-N 1 2 241.272 3.399 20 0 BGADLO CCC[C@H]1CCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000757850836 585345991 /nfs/dbraw/zinc/34/59/91/585345991.db2.gz XNDLZPZOFVOPMS-VIFPVBQESA-N 1 2 241.272 3.399 20 0 BGADLO CC[C@]1(C)CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000758739442 585359477 /nfs/dbraw/zinc/35/94/77/585359477.db2.gz IEGVHDCELGIAHK-SECBINFHSA-N 1 2 227.245 3.009 20 0 BGADLO CC[C@]1(C)CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000758739442 585359476 /nfs/dbraw/zinc/35/94/76/585359476.db2.gz IEGVHDCELGIAHK-SECBINFHSA-N 1 2 227.245 3.009 20 0 BGADLO CC[C@@]1(C)CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000758739445 585359276 /nfs/dbraw/zinc/35/92/76/585359276.db2.gz IEGVHDCELGIAHK-VIFPVBQESA-N 1 2 227.245 3.009 20 0 BGADLO CC[C@@]1(C)CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000758739445 585359275 /nfs/dbraw/zinc/35/92/75/585359275.db2.gz IEGVHDCELGIAHK-VIFPVBQESA-N 1 2 227.245 3.009 20 0 BGADLO CCC(=CC(=O)Nc1ccc2[nH+]ccn2c1)CC ZINC000759205314 585365451 /nfs/dbraw/zinc/36/54/51/585365451.db2.gz DQLNDBPCXZSKSQ-UHFFFAOYSA-N 1 2 243.310 3.019 20 0 BGADLO CC[N@@H+](CCF)Cc1ccccc1Cl ZINC000759326192 585367326 /nfs/dbraw/zinc/36/73/26/585367326.db2.gz FETWHGDLJZTAKZ-UHFFFAOYSA-N 1 2 215.699 3.131 20 0 BGADLO CC[N@H+](CCF)Cc1ccccc1Cl ZINC000759326192 585367325 /nfs/dbraw/zinc/36/73/25/585367325.db2.gz FETWHGDLJZTAKZ-UHFFFAOYSA-N 1 2 215.699 3.131 20 0 BGADLO C[N@@H+](CCF)Cc1cccc(Cl)c1Cl ZINC000759327840 585367588 /nfs/dbraw/zinc/36/75/88/585367588.db2.gz AKZGXELISDRANC-UHFFFAOYSA-N 1 2 236.117 3.395 20 0 BGADLO C[N@H+](CCF)Cc1cccc(Cl)c1Cl ZINC000759327840 585367587 /nfs/dbraw/zinc/36/75/87/585367587.db2.gz AKZGXELISDRANC-UHFFFAOYSA-N 1 2 236.117 3.395 20 0 BGADLO C[N@@H+](CCF)Cc1ccc(Cl)cc1Cl ZINC000759331919 585368434 /nfs/dbraw/zinc/36/84/34/585368434.db2.gz IGAZBJVQJJFKLJ-UHFFFAOYSA-N 1 2 236.117 3.395 20 0 BGADLO C[N@H+](CCF)Cc1ccc(Cl)cc1Cl ZINC000759331919 585368433 /nfs/dbraw/zinc/36/84/33/585368433.db2.gz IGAZBJVQJJFKLJ-UHFFFAOYSA-N 1 2 236.117 3.395 20 0 BGADLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCF ZINC000759332361 585368217 /nfs/dbraw/zinc/36/82/17/585368217.db2.gz KHVRMVUEGBFTFY-SECBINFHSA-N 1 2 238.331 3.259 20 0 BGADLO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCF ZINC000759332361 585368216 /nfs/dbraw/zinc/36/82/16/585368216.db2.gz KHVRMVUEGBFTFY-SECBINFHSA-N 1 2 238.331 3.259 20 0 BGADLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCF ZINC000759332364 585368354 /nfs/dbraw/zinc/36/83/54/585368354.db2.gz KHVRMVUEGBFTFY-VIFPVBQESA-N 1 2 238.331 3.259 20 0 BGADLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCF ZINC000759332364 585368353 /nfs/dbraw/zinc/36/83/53/585368353.db2.gz KHVRMVUEGBFTFY-VIFPVBQESA-N 1 2 238.331 3.259 20 0 BGADLO FCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000759341100 585369322 /nfs/dbraw/zinc/36/93/22/585369322.db2.gz DBAVVBAABVSPBM-GFCCVEGCSA-N 1 2 229.245 3.071 20 0 BGADLO FCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000759341100 585369321 /nfs/dbraw/zinc/36/93/21/585369321.db2.gz DBAVVBAABVSPBM-GFCCVEGCSA-N 1 2 229.245 3.071 20 0 BGADLO FCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000759341101 585369063 /nfs/dbraw/zinc/36/90/63/585369063.db2.gz DBAVVBAABVSPBM-LBPRGKRZSA-N 1 2 229.245 3.071 20 0 BGADLO FCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000759341101 585369062 /nfs/dbraw/zinc/36/90/62/585369062.db2.gz DBAVVBAABVSPBM-LBPRGKRZSA-N 1 2 229.245 3.071 20 0 BGADLO FCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000759348378 585370467 /nfs/dbraw/zinc/37/04/67/585370467.db2.gz WIAQDRPUZZKHOG-LLVKDONJSA-N 1 2 213.683 3.056 20 0 BGADLO FCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000759348378 585370466 /nfs/dbraw/zinc/37/04/66/585370466.db2.gz WIAQDRPUZZKHOG-LLVKDONJSA-N 1 2 213.683 3.056 20 0 BGADLO FCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000759348379 585370596 /nfs/dbraw/zinc/37/05/96/585370596.db2.gz WIAQDRPUZZKHOG-NSHDSACASA-N 1 2 213.683 3.056 20 0 BGADLO FCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000759348379 585370595 /nfs/dbraw/zinc/37/05/95/585370595.db2.gz WIAQDRPUZZKHOG-NSHDSACASA-N 1 2 213.683 3.056 20 0 BGADLO FCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000759348620 585370423 /nfs/dbraw/zinc/37/04/23/585370423.db2.gz ZCRAXFCSWFYSQJ-UHFFFAOYSA-N 1 2 245.297 3.274 20 0 BGADLO FCC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000759348620 585370422 /nfs/dbraw/zinc/37/04/22/585370422.db2.gz ZCRAXFCSWFYSQJ-UHFFFAOYSA-N 1 2 245.297 3.274 20 0 BGADLO C[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)CC1(C)C ZINC000759921891 585382959 /nfs/dbraw/zinc/38/29/59/585382959.db2.gz KZUMJFAGYGLJDH-MRVPVSSYSA-N 1 2 241.272 3.255 20 0 BGADLO C[C@@H]1CC[N@H+](CC(F)(F)C(F)F)CC1(C)C ZINC000759921891 585382958 /nfs/dbraw/zinc/38/29/58/585382958.db2.gz KZUMJFAGYGLJDH-MRVPVSSYSA-N 1 2 241.272 3.255 20 0 BGADLO C[C@H]1CC[N@@H+](CC(F)(F)C(F)F)CC1(C)C ZINC000759921897 585382765 /nfs/dbraw/zinc/38/27/65/585382765.db2.gz KZUMJFAGYGLJDH-QMMMGPOBSA-N 1 2 241.272 3.255 20 0 BGADLO C[C@H]1CC[N@H+](CC(F)(F)C(F)F)CC1(C)C ZINC000759921897 585382764 /nfs/dbraw/zinc/38/27/64/585382764.db2.gz KZUMJFAGYGLJDH-QMMMGPOBSA-N 1 2 241.272 3.255 20 0 BGADLO C[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)c1ccc[nH]1 ZINC000760271678 585388110 /nfs/dbraw/zinc/38/81/10/585388110.db2.gz GYPNMBJWNLGLGN-JTQLQIEISA-N 1 2 244.342 3.275 20 0 BGADLO C[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)c1ccc[nH]1 ZINC000760271679 585388151 /nfs/dbraw/zinc/38/81/51/585388151.db2.gz GYPNMBJWNLGLGN-SNVBAGLBSA-N 1 2 244.342 3.275 20 0 BGADLO Cc1cc(N[C@@H](C)c2ccc[nH]2)nc(C2CC2)[nH+]1 ZINC000760274069 585388466 /nfs/dbraw/zinc/38/84/66/585388466.db2.gz RTZQKOUZHAALPU-JTQLQIEISA-N 1 2 242.326 3.164 20 0 BGADLO Cc1cc(N[C@H](C)c2ccc[nH]2)nc(C2CC2)[nH+]1 ZINC000760274072 585388505 /nfs/dbraw/zinc/38/85/05/585388505.db2.gz RTZQKOUZHAALPU-SNVBAGLBSA-N 1 2 242.326 3.164 20 0 BGADLO C[C@@H]([NH+]=c1cc[nH]c2ccsc21)c1ccc[nH]1 ZINC000760274800 585388680 /nfs/dbraw/zinc/38/86/80/585388680.db2.gz VPUQFRWKPOSLQQ-SECBINFHSA-N 1 2 243.335 3.219 20 0 BGADLO C[C@H]([NH+]=c1cc[nH]c2ccsc21)c1ccc[nH]1 ZINC000760274803 585388692 /nfs/dbraw/zinc/38/86/92/585388692.db2.gz VPUQFRWKPOSLQQ-VIFPVBQESA-N 1 2 243.335 3.219 20 0 BGADLO CC(C)c1nc(N[C@@H](C)c2ccc[nH]2)cc[nH+]1 ZINC000760274979 585388667 /nfs/dbraw/zinc/38/86/67/585388667.db2.gz XYMSHZVYTJSCQW-JTQLQIEISA-N 1 2 230.315 3.101 20 0 BGADLO Cc1nc(N2CCC(CC(C)C)CC2)cc[nH+]1 ZINC000760497112 585393400 /nfs/dbraw/zinc/39/34/00/585393400.db2.gz WDEWGUZZEWGAMB-UHFFFAOYSA-N 1 2 233.359 3.048 20 0 BGADLO CCCC[C@@H](CC)CO[NH+]=C(N)COC(C)C ZINC000760550056 585394195 /nfs/dbraw/zinc/39/41/95/585394195.db2.gz AHVFLOQWCDSBGI-GFCCVEGCSA-N 1 2 244.379 3.126 20 0 BGADLO CCCC[C@H](CC)CO[NH+]=C(N)COC(C)C ZINC000760550072 585394138 /nfs/dbraw/zinc/39/41/38/585394138.db2.gz AHVFLOQWCDSBGI-LBPRGKRZSA-N 1 2 244.379 3.126 20 0 BGADLO CC[N@@H+](CCC1CC1)CC(F)(F)C(F)F ZINC000760880341 585401074 /nfs/dbraw/zinc/40/10/74/585401074.db2.gz HQPFIJYINFXIAM-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO CC[N@H+](CCC1CC1)CC(F)(F)C(F)F ZINC000760880341 585401073 /nfs/dbraw/zinc/40/10/73/585401073.db2.gz HQPFIJYINFXIAM-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO FC(F)(F)[C@@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000761059469 585404616 /nfs/dbraw/zinc/40/46/16/585404616.db2.gz WYFNQMRYQHLNTB-BTJAISLDSA-N 1 2 248.075 3.190 20 0 BGADLO FC(F)(F)[C@@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000761059469 585404615 /nfs/dbraw/zinc/40/46/15/585404615.db2.gz WYFNQMRYQHLNTB-BTJAISLDSA-N 1 2 248.075 3.190 20 0 BGADLO FC(F)(F)[C@H]1CC[N@@H+](C/C(Cl)=C\Cl)C1 ZINC000761059514 585404353 /nfs/dbraw/zinc/40/43/53/585404353.db2.gz WYFNQMRYQHLNTB-CFYVXFRNSA-N 1 2 248.075 3.190 20 0 BGADLO FC(F)(F)[C@H]1CC[N@H+](C/C(Cl)=C\Cl)C1 ZINC000761059514 585404352 /nfs/dbraw/zinc/40/43/52/585404352.db2.gz WYFNQMRYQHLNTB-CFYVXFRNSA-N 1 2 248.075 3.190 20 0 BGADLO FC(F)(F)[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000761059516 585404584 /nfs/dbraw/zinc/40/45/84/585404584.db2.gz WYFNQMRYQHLNTB-NPQKIFFKSA-N 1 2 248.075 3.190 20 0 BGADLO FC(F)(F)[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000761059516 585404583 /nfs/dbraw/zinc/40/45/83/585404583.db2.gz WYFNQMRYQHLNTB-NPQKIFFKSA-N 1 2 248.075 3.190 20 0 BGADLO FC(F)(F)[C@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000761059517 585404412 /nfs/dbraw/zinc/40/44/12/585404412.db2.gz WYFNQMRYQHLNTB-PJGJZCPTSA-N 1 2 248.075 3.190 20 0 BGADLO FC(F)(F)[C@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC000761059517 585404411 /nfs/dbraw/zinc/40/44/11/585404411.db2.gz WYFNQMRYQHLNTB-PJGJZCPTSA-N 1 2 248.075 3.190 20 0 BGADLO CC(C)(C)c1nc(C[N@H+]2CC[C@H]3C[C@H]32)cs1 ZINC000761089008 585407783 /nfs/dbraw/zinc/40/77/83/585407783.db2.gz FTSNQIKRBDDOPB-GXSJLCMTSA-N 1 2 236.384 3.035 20 0 BGADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@H]3C[C@H]32)cs1 ZINC000761089008 585407782 /nfs/dbraw/zinc/40/77/82/585407782.db2.gz FTSNQIKRBDDOPB-GXSJLCMTSA-N 1 2 236.384 3.035 20 0 BGADLO CC(C)(C)c1nc(C[N@H+]2CC[C@@H]3C[C@@H]32)cs1 ZINC000761089011 585407665 /nfs/dbraw/zinc/40/76/65/585407665.db2.gz FTSNQIKRBDDOPB-KOLCDFICSA-N 1 2 236.384 3.035 20 0 BGADLO CC(C)(C)c1nc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cs1 ZINC000761089011 585407664 /nfs/dbraw/zinc/40/76/64/585407664.db2.gz FTSNQIKRBDDOPB-KOLCDFICSA-N 1 2 236.384 3.035 20 0 BGADLO FC(F)[C@@H]1CCC[N@H+]1CCc1cccs1 ZINC000761117714 585410553 /nfs/dbraw/zinc/41/05/53/585410553.db2.gz LYQVPTUCFZPRAI-JTQLQIEISA-N 1 2 231.311 3.020 20 0 BGADLO FC(F)[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC000761117714 585410552 /nfs/dbraw/zinc/41/05/52/585410552.db2.gz LYQVPTUCFZPRAI-JTQLQIEISA-N 1 2 231.311 3.020 20 0 BGADLO Cc1ccc2c(c1)CCC[N@@H+]2C[C@@H]1CCCOC1 ZINC000761245473 585412769 /nfs/dbraw/zinc/41/27/69/585412769.db2.gz ITVYPOQBXKASBS-AWEZNQCLSA-N 1 2 245.366 3.174 20 0 BGADLO Cc1ccc2c(c1)CCC[N@H+]2C[C@@H]1CCCOC1 ZINC000761245473 585412768 /nfs/dbraw/zinc/41/27/68/585412768.db2.gz ITVYPOQBXKASBS-AWEZNQCLSA-N 1 2 245.366 3.174 20 0 BGADLO Cc1ccc2c(c1)CCC[N@@H+]2C[C@H]1CCCOC1 ZINC000761245793 585412731 /nfs/dbraw/zinc/41/27/31/585412731.db2.gz ITVYPOQBXKASBS-CQSZACIVSA-N 1 2 245.366 3.174 20 0 BGADLO Cc1ccc2c(c1)CCC[N@H+]2C[C@H]1CCCOC1 ZINC000761245793 585412730 /nfs/dbraw/zinc/41/27/30/585412730.db2.gz ITVYPOQBXKASBS-CQSZACIVSA-N 1 2 245.366 3.174 20 0 BGADLO CCC[C@H](C)c1noc(Cc2ccc(C)[nH+]c2)n1 ZINC000761831315 585419589 /nfs/dbraw/zinc/41/95/89/585419589.db2.gz CFAVJHFWWYOERV-JTQLQIEISA-N 1 2 245.326 3.267 20 0 BGADLO CCC[C@@H](C)c1noc(Cc2ccc(C)[nH+]c2)n1 ZINC000761831317 585419463 /nfs/dbraw/zinc/41/94/63/585419463.db2.gz CFAVJHFWWYOERV-SNVBAGLBSA-N 1 2 245.326 3.267 20 0 BGADLO Cc1cccc(Nc2nc(C)[nH+]c(C)c2C)c1 ZINC000761875222 585421752 /nfs/dbraw/zinc/42/17/52/585421752.db2.gz GNEQQWBYSPHCQI-UHFFFAOYSA-N 1 2 227.311 3.454 20 0 BGADLO FCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000761989061 585423636 /nfs/dbraw/zinc/42/36/36/585423636.db2.gz KVCALBVDHSRGNI-GFCCVEGCSA-N 1 2 248.301 3.324 20 0 BGADLO FCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000761989061 585423635 /nfs/dbraw/zinc/42/36/35/585423635.db2.gz KVCALBVDHSRGNI-GFCCVEGCSA-N 1 2 248.301 3.324 20 0 BGADLO FCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000761989064 585423779 /nfs/dbraw/zinc/42/37/79/585423779.db2.gz KVCALBVDHSRGNI-LBPRGKRZSA-N 1 2 248.301 3.324 20 0 BGADLO FCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000761989064 585423778 /nfs/dbraw/zinc/42/37/78/585423778.db2.gz KVCALBVDHSRGNI-LBPRGKRZSA-N 1 2 248.301 3.324 20 0 BGADLO CC(C)CCCO[NH+]=C(N)c1cccc(F)c1 ZINC000762205441 585429168 /nfs/dbraw/zinc/42/91/68/585429168.db2.gz ACEASXGSYIKJMB-UHFFFAOYSA-N 1 2 238.306 3.108 20 0 BGADLO CC(C)CCCO[NH+]=C(N)Cc1cccs1 ZINC000762213212 585429019 /nfs/dbraw/zinc/42/90/19/585429019.db2.gz XWQCNMCSYNSTDG-UHFFFAOYSA-N 1 2 240.372 3.225 20 0 BGADLO CN(C)c1cc(CSc2ccccc2)cc[nH+]1 ZINC000762468035 585432684 /nfs/dbraw/zinc/43/26/84/585432684.db2.gz GTWRVMWZBRRQHX-UHFFFAOYSA-N 1 2 244.363 3.440 20 0 BGADLO CN(C)c1cc(CSC2CCCC2)cc[nH+]1 ZINC000762470220 585432502 /nfs/dbraw/zinc/43/25/02/585432502.db2.gz QWJLTNLWHDKAQA-UHFFFAOYSA-N 1 2 236.384 3.323 20 0 BGADLO CC[C@@H](C)CSCc1cc[nH+]c(N(C)C)c1 ZINC000762477513 584914358 /nfs/dbraw/zinc/91/43/58/584914358.db2.gz AAEBWKJQCADNNH-LLVKDONJSA-N 1 2 238.400 3.427 20 0 BGADLO CC[C@H](C)CSCc1cc[nH+]c(N(C)C)c1 ZINC000762477518 584914268 /nfs/dbraw/zinc/91/42/68/584914268.db2.gz AAEBWKJQCADNNH-NSHDSACASA-N 1 2 238.400 3.427 20 0 BGADLO CC(C)[C@@H](C)SCc1cc[nH+]c(N(C)C)c1 ZINC000762477830 585432959 /nfs/dbraw/zinc/43/29/59/585432959.db2.gz DVUJXJCCEURPCY-LLVKDONJSA-N 1 2 238.400 3.425 20 0 BGADLO CC(C)[C@H](C)SCc1cc[nH+]c(N(C)C)c1 ZINC000762477834 585432802 /nfs/dbraw/zinc/43/28/02/585432802.db2.gz DVUJXJCCEURPCY-NSHDSACASA-N 1 2 238.400 3.425 20 0 BGADLO Cn1c2ccccc2[nH+]c1N1CCCCCCC1 ZINC000762510449 585433688 /nfs/dbraw/zinc/43/36/88/585433688.db2.gz LBRZRUMBEYTEBV-UHFFFAOYSA-N 1 2 243.354 3.344 20 0 BGADLO C[C@H](Nc1[nH+]c2ccccc2n1C)c1ccc[nH]1 ZINC000762550722 585433759 /nfs/dbraw/zinc/43/37/59/585433759.db2.gz BJLWVHYCRGTSFB-JTQLQIEISA-N 1 2 240.310 3.075 20 0 BGADLO C[C@@H](Nc1[nH+]c2ccccc2n1C)c1ccc[nH]1 ZINC000762550724 585433921 /nfs/dbraw/zinc/43/39/21/585433921.db2.gz BJLWVHYCRGTSFB-SNVBAGLBSA-N 1 2 240.310 3.075 20 0 BGADLO CC(C)C(C)(C)SCCn1cc[nH+]c1 ZINC000762973543 585440346 /nfs/dbraw/zinc/44/03/46/585440346.db2.gz NKJGPHDRZXPDQJ-UHFFFAOYSA-N 1 2 212.362 3.051 20 0 BGADLO CC(C)C(C)(C)SCc1[nH+]ccn1C ZINC000762975494 585440547 /nfs/dbraw/zinc/44/05/47/585440547.db2.gz YJGWGEOCYWEWQY-UHFFFAOYSA-N 1 2 212.362 3.088 20 0 BGADLO CC(C)C(C)(C)SCc1c[nH+]cn1C ZINC000762981547 585440800 /nfs/dbraw/zinc/44/08/00/585440800.db2.gz XHYPKHBPSMCQPQ-UHFFFAOYSA-N 1 2 212.362 3.088 20 0 BGADLO CC(C)C(C)(C)SCCCn1cc[nH+]c1 ZINC000762998721 585441053 /nfs/dbraw/zinc/44/10/53/585441053.db2.gz YRMKRSKEULXMCA-UHFFFAOYSA-N 1 2 226.389 3.441 20 0 BGADLO CC(C)C(C)(C)Sc1[nH+]cnc2[nH]ccc21 ZINC000763027861 585441543 /nfs/dbraw/zinc/44/15/43/585441543.db2.gz OYPCOOTZYBENBR-UHFFFAOYSA-N 1 2 235.356 3.485 20 0 BGADLO Cc1ccc(NC(=O)C(F)=C2CCCC2)c(C)[nH+]1 ZINC000763070826 585442762 /nfs/dbraw/zinc/44/27/62/585442762.db2.gz BDPHHOKRNFGIRP-UHFFFAOYSA-N 1 2 248.301 3.435 20 0 BGADLO NC(=[NH+]OCC1CC1)c1cccc2ccccc21 ZINC000763187981 585444210 /nfs/dbraw/zinc/44/42/10/585444210.db2.gz IZFKBAXNFMONEO-UHFFFAOYSA-N 1 2 240.306 3.096 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCC(F)(F)C2)cc[nH+]1 ZINC000763392070 585447641 /nfs/dbraw/zinc/44/76/41/585447641.db2.gz QCDKCUJHOQGFCX-SECBINFHSA-N 1 2 241.285 3.200 20 0 BGADLO CC(C)c1nc(N[C@H]2CCC(F)(F)C2)cc[nH+]1 ZINC000763392106 585447608 /nfs/dbraw/zinc/44/76/08/585447608.db2.gz QCDKCUJHOQGFCX-VIFPVBQESA-N 1 2 241.285 3.200 20 0 BGADLO Clc1ccc2c(c1)[C@H]([NH2+]Cc1ccon1)CC2 ZINC000763397494 585447618 /nfs/dbraw/zinc/44/76/18/585447618.db2.gz MKDTWXYETDEEAJ-CYBMUJFWSA-N 1 2 248.713 3.105 20 0 BGADLO Clc1ccc2c(c1)[C@@H]([NH2+]Cc1ccon1)CC2 ZINC000763397495 585447518 /nfs/dbraw/zinc/44/75/18/585447518.db2.gz MKDTWXYETDEEAJ-ZDUSSCGKSA-N 1 2 248.713 3.105 20 0 BGADLO Cc1ccc2c(c1)CCC[N@@H+]2CC1CC1 ZINC000763397854 585447482 /nfs/dbraw/zinc/44/74/82/585447482.db2.gz ZXIBFQKZYQEENF-UHFFFAOYSA-N 1 2 201.313 3.158 20 0 BGADLO Cc1ccc2c(c1)CCC[N@H+]2CC1CC1 ZINC000763397854 585447481 /nfs/dbraw/zinc/44/74/81/585447481.db2.gz ZXIBFQKZYQEENF-UHFFFAOYSA-N 1 2 201.313 3.158 20 0 BGADLO CCn1c2ccccc2[nH+]c1NCc1ccoc1 ZINC000763411934 585447804 /nfs/dbraw/zinc/44/78/04/585447804.db2.gz LODHTDORFNQQIU-UHFFFAOYSA-N 1 2 241.294 3.261 20 0 BGADLO COc1ccc[nH+]c1NCc1ccc(C)c(F)c1 ZINC000763505920 585449426 /nfs/dbraw/zinc/44/94/26/585449426.db2.gz ASFBNEWDTJWRPF-UHFFFAOYSA-N 1 2 246.285 3.150 20 0 BGADLO Cl/C=C(/Cl)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000763543926 585450230 /nfs/dbraw/zinc/45/02/30/585450230.db2.gz UKYDQASKCJHVSS-CMWXKVOJSA-N 1 2 246.137 3.388 20 0 BGADLO Cl/C=C(/Cl)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000763543926 585450229 /nfs/dbraw/zinc/45/02/29/585450229.db2.gz UKYDQASKCJHVSS-CMWXKVOJSA-N 1 2 246.137 3.388 20 0 BGADLO Cl/C=C(\Cl)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000763543927 585450298 /nfs/dbraw/zinc/45/02/98/585450298.db2.gz UKYDQASKCJHVSS-LKJZUNMESA-N 1 2 246.137 3.388 20 0 BGADLO Cl/C=C(\Cl)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000763543927 585450297 /nfs/dbraw/zinc/45/02/97/585450297.db2.gz UKYDQASKCJHVSS-LKJZUNMESA-N 1 2 246.137 3.388 20 0 BGADLO Cl/C=C(\Cl)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000763543928 585450173 /nfs/dbraw/zinc/45/01/73/585450173.db2.gz UKYDQASKCJHVSS-WPVMNKCKSA-N 1 2 246.137 3.388 20 0 BGADLO Cl/C=C(\Cl)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000763543928 585450172 /nfs/dbraw/zinc/45/01/72/585450172.db2.gz UKYDQASKCJHVSS-WPVMNKCKSA-N 1 2 246.137 3.388 20 0 BGADLO Cl/C=C(/Cl)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000763543929 585450305 /nfs/dbraw/zinc/45/03/05/585450305.db2.gz UKYDQASKCJHVSS-ZFZMKPAXSA-N 1 2 246.137 3.388 20 0 BGADLO Cl/C=C(/Cl)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000763543929 585450304 /nfs/dbraw/zinc/45/03/04/585450304.db2.gz UKYDQASKCJHVSS-ZFZMKPAXSA-N 1 2 246.137 3.388 20 0 BGADLO CC(C)OCCC[N@@H+](C)C/C(Cl)=C\Cl ZINC000763559308 585450634 /nfs/dbraw/zinc/45/06/34/585450634.db2.gz CZBXKLUZVJILMB-JXMROGBWSA-N 1 2 240.174 3.052 20 0 BGADLO CC(C)OCCC[N@H+](C)C/C(Cl)=C\Cl ZINC000763559308 585450633 /nfs/dbraw/zinc/45/06/33/585450633.db2.gz CZBXKLUZVJILMB-JXMROGBWSA-N 1 2 240.174 3.052 20 0 BGADLO CC(C)OCCC[N@@H+](C)C/C(Cl)=C/Cl ZINC000763559310 585450903 /nfs/dbraw/zinc/45/09/03/585450903.db2.gz CZBXKLUZVJILMB-YFHOEESVSA-N 1 2 240.174 3.052 20 0 BGADLO CC(C)OCCC[N@H+](C)C/C(Cl)=C/Cl ZINC000763559310 585450902 /nfs/dbraw/zinc/45/09/02/585450902.db2.gz CZBXKLUZVJILMB-YFHOEESVSA-N 1 2 240.174 3.052 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cscn2)Cc2ccccc21 ZINC000763630942 585451359 /nfs/dbraw/zinc/45/13/59/585451359.db2.gz SEUVGGATKPCFIX-LLVKDONJSA-N 1 2 244.363 3.262 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cscn2)Cc2ccccc21 ZINC000763630942 585451358 /nfs/dbraw/zinc/45/13/58/585451358.db2.gz SEUVGGATKPCFIX-LLVKDONJSA-N 1 2 244.363 3.262 20 0 BGADLO C[C@H]1C[N@@H+](Cc2cscn2)Cc2ccccc21 ZINC000763630943 585451397 /nfs/dbraw/zinc/45/13/97/585451397.db2.gz SEUVGGATKPCFIX-NSHDSACASA-N 1 2 244.363 3.262 20 0 BGADLO C[C@H]1C[N@H+](Cc2cscn2)Cc2ccccc21 ZINC000763630943 585451396 /nfs/dbraw/zinc/45/13/96/585451396.db2.gz SEUVGGATKPCFIX-NSHDSACASA-N 1 2 244.363 3.262 20 0 BGADLO CC[C@@H](C)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000764547540 585467600 /nfs/dbraw/zinc/46/76/00/585467600.db2.gz DTPQPSAMLBVHOR-SECBINFHSA-N 1 2 238.306 3.027 20 0 BGADLO CC[C@H](C)CO[NH+]=C(N)c1ccc(C)c(F)c1 ZINC000764547557 585467632 /nfs/dbraw/zinc/46/76/32/585467632.db2.gz DTPQPSAMLBVHOR-VIFPVBQESA-N 1 2 238.306 3.027 20 0 BGADLO CC[C@@H](C)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000764548548 585467610 /nfs/dbraw/zinc/46/76/10/585467610.db2.gz UMAUWVSYDWFDTN-SECBINFHSA-N 1 2 240.734 3.233 20 0 BGADLO CC[C@H](C)CO[NH+]=C(N)c1cccc(Cl)c1 ZINC000764548584 585467705 /nfs/dbraw/zinc/46/77/05/585467705.db2.gz UMAUWVSYDWFDTN-VIFPVBQESA-N 1 2 240.734 3.233 20 0 BGADLO Cc1ccc([N@@H+](C)CCCc2ccncc2)cc1 ZINC000764953162 585478002 /nfs/dbraw/zinc/47/80/02/585478002.db2.gz KXDWLSMWPOZNPC-UHFFFAOYSA-N 1 2 240.350 3.459 20 0 BGADLO Cc1ccc([N@H+](C)CCCc2ccncc2)cc1 ZINC000764953162 585478001 /nfs/dbraw/zinc/47/80/01/585478001.db2.gz KXDWLSMWPOZNPC-UHFFFAOYSA-N 1 2 240.350 3.459 20 0 BGADLO CCc1cc(NCc2c(C)cccc2C)nc[nH+]1 ZINC000765599552 585491264 /nfs/dbraw/zinc/49/12/64/585491264.db2.gz IVIZRBMKRPSFKQ-UHFFFAOYSA-N 1 2 241.338 3.268 20 0 BGADLO CCSc1nccn1-c1ccc([NH+](C)C)cc1 ZINC000765603907 585491099 /nfs/dbraw/zinc/49/10/99/585491099.db2.gz BGMJCVUJTILJKX-UHFFFAOYSA-N 1 2 247.367 3.050 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000765813083 585492866 /nfs/dbraw/zinc/49/28/66/585492866.db2.gz USRBIYKBWHIOOY-KBPBESRZSA-N 1 2 248.370 3.394 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000765813089 585492879 /nfs/dbraw/zinc/49/28/79/585492879.db2.gz USRBIYKBWHIOOY-KGLIPLIRSA-N 1 2 248.370 3.394 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000765813096 585492716 /nfs/dbraw/zinc/49/27/16/585492716.db2.gz USRBIYKBWHIOOY-UONOGXRCSA-N 1 2 248.370 3.394 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000765813101 585492752 /nfs/dbraw/zinc/49/27/52/585492752.db2.gz USRBIYKBWHIOOY-ZIAGYGMSSA-N 1 2 248.370 3.394 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000765815091 585492707 /nfs/dbraw/zinc/49/27/07/585492707.db2.gz ZEQDTUGMDJNATI-KBPBESRZSA-N 1 2 248.370 3.394 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2C[C@H](OC(C)C)C2(C)C)c1 ZINC000765815096 585492790 /nfs/dbraw/zinc/49/27/90/585492790.db2.gz ZEQDTUGMDJNATI-KGLIPLIRSA-N 1 2 248.370 3.394 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000765815099 585492828 /nfs/dbraw/zinc/49/28/28/585492828.db2.gz ZEQDTUGMDJNATI-UONOGXRCSA-N 1 2 248.370 3.394 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2C[C@@H](OC(C)C)C2(C)C)c1 ZINC000765815102 585492815 /nfs/dbraw/zinc/49/28/15/585492815.db2.gz ZEQDTUGMDJNATI-ZIAGYGMSSA-N 1 2 248.370 3.394 20 0 BGADLO Fc1cc(F)c2c(c1)C[N@H+](C/C=C\Cl)CC2 ZINC000766194007 585498853 /nfs/dbraw/zinc/49/88/53/585498853.db2.gz YFZOWTRNRUAXGO-IWQZZHSRSA-N 1 2 243.684 3.075 20 0 BGADLO Fc1cc(F)c2c(c1)C[N@@H+](C/C=C\Cl)CC2 ZINC000766194007 585498852 /nfs/dbraw/zinc/49/88/52/585498852.db2.gz YFZOWTRNRUAXGO-IWQZZHSRSA-N 1 2 243.684 3.075 20 0 BGADLO CC1(C[NH2+]c2ccc(OC3COC3)cc2)CCC1 ZINC000766213576 585498900 /nfs/dbraw/zinc/49/89/00/585498900.db2.gz RISNHMAXHKVMDW-UHFFFAOYSA-N 1 2 247.338 3.066 20 0 BGADLO CN1CCOc2ccc([NH2+]CC3(C)CCC3)cc21 ZINC000766214162 585498945 /nfs/dbraw/zinc/49/89/45/585498945.db2.gz WRWRFLKAYFNIPK-UHFFFAOYSA-N 1 2 246.354 3.117 20 0 BGADLO CC1=C(Cc2ccccc2F)SC2=[NH+]CCN12 ZINC000766288120 585500412 /nfs/dbraw/zinc/50/04/12/585500412.db2.gz CDGWLAHVYGRBHL-UHFFFAOYSA-N 1 2 248.326 3.018 20 0 BGADLO CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccon2)C1 ZINC000766419511 585502167 /nfs/dbraw/zinc/50/21/67/585502167.db2.gz LMDDHUUAQWQPDX-GFCCVEGCSA-N 1 2 246.310 3.071 20 0 BGADLO CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccon2)C1 ZINC000766419513 585502031 /nfs/dbraw/zinc/50/20/31/585502031.db2.gz LMDDHUUAQWQPDX-LBPRGKRZSA-N 1 2 246.310 3.071 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2ccon2)cc(C)c1F ZINC000766421831 585502349 /nfs/dbraw/zinc/50/23/49/585502349.db2.gz OQIYHRXKEGGMDL-LLVKDONJSA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2ccon2)cc(C)c1F ZINC000766421833 585502397 /nfs/dbraw/zinc/50/23/97/585502397.db2.gz OQIYHRXKEGGMDL-NSHDSACASA-N 1 2 248.301 3.281 20 0 BGADLO CCC[C@@H]([NH2+]Cc1cc(C)on1)c1ccccn1 ZINC000766734401 585507120 /nfs/dbraw/zinc/50/71/20/585507120.db2.gz NCWGWHRVQTYOPC-CYBMUJFWSA-N 1 2 245.326 3.009 20 0 BGADLO CCC[C@H]([NH2+]Cc1cc(C)on1)c1ccccn1 ZINC000766734407 585507049 /nfs/dbraw/zinc/50/70/49/585507049.db2.gz NCWGWHRVQTYOPC-ZDUSSCGKSA-N 1 2 245.326 3.009 20 0 BGADLO CCCCCO[NH+]=C(N)c1ccccc1C ZINC000766740883 585507560 /nfs/dbraw/zinc/50/75/60/585507560.db2.gz GTFDFJMMTDKAGL-UHFFFAOYSA-N 1 2 220.316 3.032 20 0 BGADLO CCCCCO[NH+]=C(N)c1ccc(F)c(F)c1 ZINC000766741026 585507556 /nfs/dbraw/zinc/50/75/56/585507556.db2.gz AIPBRTUMQWMLEN-UHFFFAOYSA-N 1 2 242.269 3.002 20 0 BGADLO COc1cc(C)c([NH2+]C[C@H]2CCCOC2)cc1C ZINC000766796925 585508258 /nfs/dbraw/zinc/50/82/58/585508258.db2.gz FFWPQMXJFAGVET-CYBMUJFWSA-N 1 2 249.354 3.151 20 0 BGADLO COc1cc(C)c([NH2+]C[C@@H]2CCCOC2)cc1C ZINC000766796930 585508366 /nfs/dbraw/zinc/50/83/66/585508366.db2.gz FFWPQMXJFAGVET-ZDUSSCGKSA-N 1 2 249.354 3.151 20 0 BGADLO COc1cc(C)c([NH2+]CC[C@H]2CCCO2)cc1C ZINC000766797474 585508489 /nfs/dbraw/zinc/50/84/89/585508489.db2.gz SEESLQFHRQSZRV-CYBMUJFWSA-N 1 2 249.354 3.293 20 0 BGADLO COc1cc(C)c([NH2+]CC[C@@H]2CCCO2)cc1C ZINC000766797476 585508344 /nfs/dbraw/zinc/50/83/44/585508344.db2.gz SEESLQFHRQSZRV-ZDUSSCGKSA-N 1 2 249.354 3.293 20 0 BGADLO CC[N@@H+](CCCF)c1ccc(C)cc1C ZINC000766859043 585508865 /nfs/dbraw/zinc/50/88/65/585508865.db2.gz SGWGSMNROHVTJJ-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO CC[N@H+](CCCF)c1ccc(C)cc1C ZINC000766859043 585508864 /nfs/dbraw/zinc/50/88/64/585508864.db2.gz SGWGSMNROHVTJJ-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO Clc1ccc(Cl)c(C[N@@H+]2CC=CCC2)n1 ZINC000766873721 585508839 /nfs/dbraw/zinc/50/88/39/585508839.db2.gz YLRUXXLMYXMEBL-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO Clc1ccc(Cl)c(C[N@H+]2CC=CCC2)n1 ZINC000766873721 585508838 /nfs/dbraw/zinc/50/88/38/585508838.db2.gz YLRUXXLMYXMEBL-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO FC(F)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000767082455 585513652 /nfs/dbraw/zinc/51/36/52/585513652.db2.gz JZZYZYASUFACAF-VMPITWQZSA-N 1 2 244.112 3.283 20 0 BGADLO FC(F)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000767082456 585513656 /nfs/dbraw/zinc/51/36/56/585513656.db2.gz JZZYZYASUFACAF-YVMONPNESA-N 1 2 244.112 3.283 20 0 BGADLO CCC(C)(CC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000767096637 585514019 /nfs/dbraw/zinc/51/40/19/585514019.db2.gz XOWXLGANMGCSLC-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO CC(C)CCSCc1cc[nH+]c(N(C)C)c1 ZINC000767871543 585527223 /nfs/dbraw/zinc/52/72/23/585527223.db2.gz NWKYJSALXGJFAA-UHFFFAOYSA-N 1 2 238.400 3.427 20 0 BGADLO C[N@@H+](CCOC(C)(C)C)C/C(Cl)=C/Cl ZINC000767906092 585528108 /nfs/dbraw/zinc/52/81/08/585528108.db2.gz UMCDFVQEFYKDAA-CLFYSBASSA-N 1 2 240.174 3.052 20 0 BGADLO C[N@H+](CCOC(C)(C)C)C/C(Cl)=C/Cl ZINC000767906092 585528107 /nfs/dbraw/zinc/52/81/07/585528107.db2.gz UMCDFVQEFYKDAA-CLFYSBASSA-N 1 2 240.174 3.052 20 0 BGADLO C[N@@H+](CCOC(C)(C)C)C/C(Cl)=C\Cl ZINC000767906117 585528141 /nfs/dbraw/zinc/52/81/41/585528141.db2.gz UMCDFVQEFYKDAA-VQHVLOKHSA-N 1 2 240.174 3.052 20 0 BGADLO C[N@H+](CCOC(C)(C)C)C/C(Cl)=C\Cl ZINC000767906117 585528140 /nfs/dbraw/zinc/52/81/40/585528140.db2.gz UMCDFVQEFYKDAA-VQHVLOKHSA-N 1 2 240.174 3.052 20 0 BGADLO Fc1ccc2c(c1F)C[N@H+](C/C=C\Cl)CC2 ZINC000767906378 585528091 /nfs/dbraw/zinc/52/80/91/585528091.db2.gz RTHHJKVZGXUWQA-KTAJNNJTSA-N 1 2 243.684 3.075 20 0 BGADLO Fc1ccc2c(c1F)C[N@@H+](C/C=C\Cl)CC2 ZINC000767906378 585528090 /nfs/dbraw/zinc/52/80/90/585528090.db2.gz RTHHJKVZGXUWQA-KTAJNNJTSA-N 1 2 243.684 3.075 20 0 BGADLO Fc1ccc2c(c1F)C[N@H+](C/C=C/Cl)CC2 ZINC000767906379 585528117 /nfs/dbraw/zinc/52/81/17/585528117.db2.gz RTHHJKVZGXUWQA-ORCRQEGFSA-N 1 2 243.684 3.075 20 0 BGADLO Fc1ccc2c(c1F)C[N@@H+](C/C=C/Cl)CC2 ZINC000767906379 585528116 /nfs/dbraw/zinc/52/81/16/585528116.db2.gz RTHHJKVZGXUWQA-ORCRQEGFSA-N 1 2 243.684 3.075 20 0 BGADLO C[N@H+](Cc1coc(C2CC2)n1)Cc1cccs1 ZINC000768160804 585533117 /nfs/dbraw/zinc/53/31/17/585533117.db2.gz QVDGUPMHYAPABT-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@@H+](Cc1coc(C2CC2)n1)Cc1cccs1 ZINC000768160804 585533116 /nfs/dbraw/zinc/53/31/16/585533116.db2.gz QVDGUPMHYAPABT-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@@H+](Cc1ccsc1)Cc1coc(C2CC2)n1 ZINC000768203448 585533920 /nfs/dbraw/zinc/53/39/20/585533920.db2.gz GBGIIJBMYHJSNY-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO C[N@H+](Cc1ccsc1)Cc1coc(C2CC2)n1 ZINC000768203448 585533919 /nfs/dbraw/zinc/53/39/19/585533919.db2.gz GBGIIJBMYHJSNY-UHFFFAOYSA-N 1 2 248.351 3.246 20 0 BGADLO CC1CC([NH2+]c2ccc(OCC(C)(C)O)cc2)C1 ZINC000768253985 585534686 /nfs/dbraw/zinc/53/46/86/585534686.db2.gz URHGFGPFTDBGCQ-UHFFFAOYSA-N 1 2 249.354 3.047 20 0 BGADLO C[C@@H](c1ccco1)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000768263901 585534938 /nfs/dbraw/zinc/53/49/38/585534938.db2.gz YQCKJEMPQIZPJO-JTQLQIEISA-N 1 2 246.310 3.338 20 0 BGADLO C[C@@H](c1ccco1)[N@H+](C)Cc1coc(C2CC2)n1 ZINC000768263901 585534937 /nfs/dbraw/zinc/53/49/37/585534937.db2.gz YQCKJEMPQIZPJO-JTQLQIEISA-N 1 2 246.310 3.338 20 0 BGADLO C[C@H](c1ccco1)[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000768263904 585534923 /nfs/dbraw/zinc/53/49/23/585534923.db2.gz YQCKJEMPQIZPJO-SNVBAGLBSA-N 1 2 246.310 3.338 20 0 BGADLO C[C@H](c1ccco1)[N@H+](C)Cc1coc(C2CC2)n1 ZINC000768263904 585534922 /nfs/dbraw/zinc/53/49/22/585534922.db2.gz YQCKJEMPQIZPJO-SNVBAGLBSA-N 1 2 246.310 3.338 20 0 BGADLO Cc1cc([C@H]2CCC[N@H+]2Cc2occc2C)no1 ZINC000768428287 585538433 /nfs/dbraw/zinc/53/84/33/585538433.db2.gz GQBLKGGAXCTYGP-CYBMUJFWSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2occc2C)no1 ZINC000768428287 585538432 /nfs/dbraw/zinc/53/84/32/585538432.db2.gz GQBLKGGAXCTYGP-CYBMUJFWSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2occc2C)no1 ZINC000768428288 585538393 /nfs/dbraw/zinc/53/83/93/585538393.db2.gz GQBLKGGAXCTYGP-ZDUSSCGKSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2occc2C)no1 ZINC000768428288 585538392 /nfs/dbraw/zinc/53/83/92/585538392.db2.gz GQBLKGGAXCTYGP-ZDUSSCGKSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@@H]2CCCOC2)cc1C ZINC000768534843 585539832 /nfs/dbraw/zinc/53/98/32/585539832.db2.gz MDYOUCWMXYXZHA-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@@H]2CCCOC2)cc1C ZINC000768534843 585539831 /nfs/dbraw/zinc/53/98/31/585539831.db2.gz MDYOUCWMXYXZHA-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@H]2CCCOC2)cc1C ZINC000768534896 585539380 /nfs/dbraw/zinc/53/93/80/585539380.db2.gz MDYOUCWMXYXZHA-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@H]2CCCOC2)cc1C ZINC000768534896 585539379 /nfs/dbraw/zinc/53/93/79/585539379.db2.gz MDYOUCWMXYXZHA-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@@H]2CCCOC2)c(C)c1 ZINC000768536801 585539983 /nfs/dbraw/zinc/53/99/83/585539983.db2.gz YKOCPQDRXTZNOV-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@@H]2CCCOC2)c(C)c1 ZINC000768536801 585539982 /nfs/dbraw/zinc/53/99/82/585539982.db2.gz YKOCPQDRXTZNOV-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@H]2CCCOC2)c(C)c1 ZINC000768536802 585540007 /nfs/dbraw/zinc/54/00/07/585540007.db2.gz YKOCPQDRXTZNOV-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@H]2CCCOC2)c(C)c1 ZINC000768536802 585540006 /nfs/dbraw/zinc/54/00/06/585540006.db2.gz YKOCPQDRXTZNOV-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@@H+](C[C@@H]1CCCOC1)c1ccc(C)cc1 ZINC000768542252 585540033 /nfs/dbraw/zinc/54/00/33/585540033.db2.gz QWZJPTBHDSEONM-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](C[C@@H]1CCCOC1)c1ccc(C)cc1 ZINC000768542252 585540032 /nfs/dbraw/zinc/54/00/32/585540032.db2.gz QWZJPTBHDSEONM-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@@H+](C[C@H]1CCCOC1)c1ccc(C)cc1 ZINC000768542255 585539901 /nfs/dbraw/zinc/53/99/01/585539901.db2.gz QWZJPTBHDSEONM-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO CC[N@H+](C[C@H]1CCCOC1)c1ccc(C)cc1 ZINC000768542255 585539900 /nfs/dbraw/zinc/53/99/00/585539900.db2.gz QWZJPTBHDSEONM-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO FCC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000768792208 585543707 /nfs/dbraw/zinc/54/37/07/585543707.db2.gz PJUDIUFMVPOIQR-UHFFFAOYSA-N 1 2 239.721 3.399 20 0 BGADLO FCC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000768792208 585543706 /nfs/dbraw/zinc/54/37/06/585543706.db2.gz PJUDIUFMVPOIQR-UHFFFAOYSA-N 1 2 239.721 3.399 20 0 BGADLO Cc1cc(Cl)ccc1COCc1[nH]cc[nH+]1 ZINC000768802766 585543741 /nfs/dbraw/zinc/54/37/41/585543741.db2.gz CVNCZIHUIBYOQE-UHFFFAOYSA-N 1 2 236.702 3.088 20 0 BGADLO CC/C=C\CCO[NH+]=C(N)c1ccccc1C ZINC000768921967 585546062 /nfs/dbraw/zinc/54/60/62/585546062.db2.gz BVPGSRQZWFDRSE-PLNGDYQASA-N 1 2 232.327 3.198 20 0 BGADLO CC/C=C/CCO[NH+]=C(N)c1ccccc1C ZINC000768921968 585546118 /nfs/dbraw/zinc/54/61/18/585546118.db2.gz BVPGSRQZWFDRSE-SNAWJCMRSA-N 1 2 232.327 3.198 20 0 BGADLO CC/C=C\CCO[NH+]=C(N)c1cccc(F)c1 ZINC000768922299 585546198 /nfs/dbraw/zinc/54/61/98/585546198.db2.gz KTUCNQUUMNHFJN-ARJAWSKDSA-N 1 2 236.290 3.029 20 0 BGADLO CC/C=C/CCO[NH+]=C(N)c1cccc(F)c1 ZINC000768922300 585546207 /nfs/dbraw/zinc/54/62/07/585546207.db2.gz KTUCNQUUMNHFJN-ONEGZZNKSA-N 1 2 236.290 3.029 20 0 BGADLO CC/C=C\CCO[NH+]=C(N)Cc1cccs1 ZINC000768922357 585546211 /nfs/dbraw/zinc/54/62/11/585546211.db2.gz MIRIBDCINORZBE-ARJAWSKDSA-N 1 2 238.356 3.145 20 0 BGADLO CC/C=C/CCO[NH+]=C(N)Cc1cccs1 ZINC000768922359 585546124 /nfs/dbraw/zinc/54/61/24/585546124.db2.gz MIRIBDCINORZBE-ONEGZZNKSA-N 1 2 238.356 3.145 20 0 BGADLO CC/C=C\CCO[NH+]=C(N)Cc1ccccc1 ZINC000768926584 585546157 /nfs/dbraw/zinc/54/61/57/585546157.db2.gz NQLHLTLUUMDLKK-ARJAWSKDSA-N 1 2 232.327 3.084 20 0 BGADLO CC/C=C/CCO[NH+]=C(N)Cc1ccccc1 ZINC000768926585 585546301 /nfs/dbraw/zinc/54/63/01/585546301.db2.gz NQLHLTLUUMDLKK-ONEGZZNKSA-N 1 2 232.327 3.084 20 0 BGADLO Cc1occc1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000769055592 585548375 /nfs/dbraw/zinc/54/83/75/585548375.db2.gz CPOCEJITUQWGFH-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1occc1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC000769055592 585548374 /nfs/dbraw/zinc/54/83/74/585548374.db2.gz CPOCEJITUQWGFH-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO CC[N@@H+](Cc1ccoc1)Cc1coc(C2CC2)n1 ZINC000769298907 585552758 /nfs/dbraw/zinc/55/27/58/585552758.db2.gz LEIPCDUUTVDBGJ-UHFFFAOYSA-N 1 2 246.310 3.167 20 0 BGADLO CC[N@H+](Cc1ccoc1)Cc1coc(C2CC2)n1 ZINC000769298907 585552757 /nfs/dbraw/zinc/55/27/57/585552757.db2.gz LEIPCDUUTVDBGJ-UHFFFAOYSA-N 1 2 246.310 3.167 20 0 BGADLO Clc1cccc2c1CC[N@@H+](Cc1ccoc1)C2 ZINC000769387087 585555381 /nfs/dbraw/zinc/55/53/81/585555381.db2.gz ICZMIHQNIWXQOH-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Clc1cccc2c1CC[N@H+](Cc1ccoc1)C2 ZINC000769387087 585555380 /nfs/dbraw/zinc/55/53/80/585555380.db2.gz ICZMIHQNIWXQOH-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO C[C@H](CCC1CC1)[NH2+]c1ccc(OCCO)cc1 ZINC000769412603 585555885 /nfs/dbraw/zinc/55/58/85/585555885.db2.gz HSKRCVHBNRYAPM-GFCCVEGCSA-N 1 2 249.354 3.048 20 0 BGADLO C[C@@H](CCC1CC1)[NH2+]c1ccc(OCCO)cc1 ZINC000769412604 585555854 /nfs/dbraw/zinc/55/58/54/585555854.db2.gz HSKRCVHBNRYAPM-LBPRGKRZSA-N 1 2 249.354 3.048 20 0 BGADLO Fc1cccc([C@@H]2CC[N@H+]2Cc2ccoc2)c1 ZINC000769506756 585558586 /nfs/dbraw/zinc/55/85/86/585558586.db2.gz GRCSGGDKCKXECI-AWEZNQCLSA-N 1 2 231.270 3.366 20 0 BGADLO Fc1cccc([C@@H]2CC[N@@H+]2Cc2ccoc2)c1 ZINC000769506756 585558585 /nfs/dbraw/zinc/55/85/85/585558585.db2.gz GRCSGGDKCKXECI-AWEZNQCLSA-N 1 2 231.270 3.366 20 0 BGADLO Fc1cccc([C@H]2CC[N@H+]2Cc2ccoc2)c1 ZINC000769506760 585558403 /nfs/dbraw/zinc/55/84/03/585558403.db2.gz GRCSGGDKCKXECI-CQSZACIVSA-N 1 2 231.270 3.366 20 0 BGADLO Fc1cccc([C@H]2CC[N@@H+]2Cc2ccoc2)c1 ZINC000769506760 585558402 /nfs/dbraw/zinc/55/84/02/585558402.db2.gz GRCSGGDKCKXECI-CQSZACIVSA-N 1 2 231.270 3.366 20 0 BGADLO Cc1noc(C)c1C[N@@H+](Cc1ccoc1)C1CC1 ZINC000769538062 585558960 /nfs/dbraw/zinc/55/89/60/585558960.db2.gz QLDLAPTYGFOUMA-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1noc(C)c1C[N@H+](Cc1ccoc1)C1CC1 ZINC000769538062 585558959 /nfs/dbraw/zinc/55/89/59/585558959.db2.gz QLDLAPTYGFOUMA-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1ccc(F)c(C[N@@H+](C)C/C=C\Cl)c1 ZINC000769910050 585566104 /nfs/dbraw/zinc/56/61/04/585566104.db2.gz QPZBQFJEWMHROX-UTCJRWHESA-N 1 2 227.710 3.318 20 0 BGADLO Cc1ccc(F)c(C[N@H+](C)C/C=C\Cl)c1 ZINC000769910050 585566103 /nfs/dbraw/zinc/56/61/03/585566103.db2.gz QPZBQFJEWMHROX-UTCJRWHESA-N 1 2 227.710 3.318 20 0 BGADLO Cc1ccc(F)c(C[N@@H+](C)C/C=C/Cl)c1 ZINC000769910066 585566351 /nfs/dbraw/zinc/56/63/51/585566351.db2.gz QPZBQFJEWMHROX-ZZXKWVIFSA-N 1 2 227.710 3.318 20 0 BGADLO Cc1ccc(F)c(C[N@H+](C)C/C=C/Cl)c1 ZINC000769910066 585566350 /nfs/dbraw/zinc/56/63/50/585566350.db2.gz QPZBQFJEWMHROX-ZZXKWVIFSA-N 1 2 227.710 3.318 20 0 BGADLO CC(C)[N@@H+](CC1CCC1)CC(F)(F)C(F)F ZINC000769919534 585566479 /nfs/dbraw/zinc/56/64/79/585566479.db2.gz GYGKMLIEDRGJLO-UHFFFAOYSA-N 1 2 241.272 3.397 20 0 BGADLO CC(C)[N@H+](CC1CCC1)CC(F)(F)C(F)F ZINC000769919534 585566478 /nfs/dbraw/zinc/56/64/78/585566478.db2.gz GYGKMLIEDRGJLO-UHFFFAOYSA-N 1 2 241.272 3.397 20 0 BGADLO FCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000770241599 585572227 /nfs/dbraw/zinc/57/22/27/585572227.db2.gz QZFLUNYISIIJCK-CYBMUJFWSA-N 1 2 243.272 3.461 20 0 BGADLO FCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000770241599 585572226 /nfs/dbraw/zinc/57/22/26/585572226.db2.gz QZFLUNYISIIJCK-CYBMUJFWSA-N 1 2 243.272 3.461 20 0 BGADLO FCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000770241603 585572205 /nfs/dbraw/zinc/57/22/05/585572205.db2.gz QZFLUNYISIIJCK-ZDUSSCGKSA-N 1 2 243.272 3.461 20 0 BGADLO FCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000770241603 585572204 /nfs/dbraw/zinc/57/22/04/585572204.db2.gz QZFLUNYISIIJCK-ZDUSSCGKSA-N 1 2 243.272 3.461 20 0 BGADLO Fc1ccc2c(c1F)C[N@H+](Cc1ccoc1)CC2 ZINC000770356716 585572978 /nfs/dbraw/zinc/57/29/78/585572978.db2.gz XSQRPBHDNQILKL-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO Fc1ccc2c(c1F)C[N@@H+](Cc1ccoc1)CC2 ZINC000770356716 585572977 /nfs/dbraw/zinc/57/29/77/585572977.db2.gz XSQRPBHDNQILKL-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO c1cn(-c2ccc(NCc3ccoc3)cc2)c[nH+]1 ZINC000770487548 585574779 /nfs/dbraw/zinc/57/47/79/585574779.db2.gz PAWUXAYPBHYCJT-UHFFFAOYSA-N 1 2 239.278 3.077 20 0 BGADLO Cc1cc(NCc2ccoc2)ccc1[NH+](C)C ZINC000770528012 585575548 /nfs/dbraw/zinc/57/55/48/585575548.db2.gz PADONAYJOKQORE-UHFFFAOYSA-N 1 2 230.311 3.266 20 0 BGADLO C[N@H+]1CCCc2cc(NCc3ccoc3)ccc21 ZINC000770540741 585575939 /nfs/dbraw/zinc/57/59/39/585575939.db2.gz LJTXLCXTLIICKN-UHFFFAOYSA-N 1 2 242.322 3.274 20 0 BGADLO C[N@@H+]1CCCc2cc(NCc3ccoc3)ccc21 ZINC000770540741 585575938 /nfs/dbraw/zinc/57/59/38/585575938.db2.gz LJTXLCXTLIICKN-UHFFFAOYSA-N 1 2 242.322 3.274 20 0 BGADLO CCCC(=CC(=O)Nc1cc[nH+]cc1C)CCC ZINC000770726078 585580487 /nfs/dbraw/zinc/58/04/87/585580487.db2.gz KRJRLIOVRMOCRP-UHFFFAOYSA-N 1 2 246.354 3.277 20 0 BGADLO CCCC(=CC(=O)Nc1cc[nH+]c(C)c1)CCC ZINC000770752565 585581163 /nfs/dbraw/zinc/58/11/63/585581163.db2.gz RFOYWTGUPKZQHZ-UHFFFAOYSA-N 1 2 246.354 3.277 20 0 BGADLO Cc1ccccc1C(N)=[NH+]OCC1CCCC1 ZINC000771862809 585602853 /nfs/dbraw/zinc/60/28/53/585602853.db2.gz DNSUBKJWCPWSQG-UHFFFAOYSA-N 1 2 232.327 3.032 20 0 BGADLO Cc1ccc(COC(=O)CC2CCCC2)c(C)[nH+]1 ZINC000771886374 585010372 /nfs/dbraw/zinc/01/03/72/585010372.db2.gz XFJUBELZUOOHPV-UHFFFAOYSA-N 1 2 247.338 3.322 20 0 BGADLO Cc1ccc(COC(=O)c2ccccc2)c(C)[nH+]1 ZINC000771887641 585603734 /nfs/dbraw/zinc/60/37/34/585603734.db2.gz JSTNSMXZTLYNTG-UHFFFAOYSA-N 1 2 241.290 3.055 20 0 BGADLO Cc1ccc(COC(=O)c2cccs2)c(C)[nH+]1 ZINC000771888885 585603798 /nfs/dbraw/zinc/60/37/98/585603798.db2.gz HXXYGAZLWCNGRA-UHFFFAOYSA-N 1 2 247.319 3.117 20 0 BGADLO Cc1ccc(COC(=O)CC(C)(C)C)c(C)[nH+]1 ZINC000771890491 585603949 /nfs/dbraw/zinc/60/39/49/585603949.db2.gz NMCOFFRKSWAEKI-UHFFFAOYSA-N 1 2 235.327 3.178 20 0 BGADLO Cc1ccc(COC(=O)c2ccsc2)c(C)[nH+]1 ZINC000771903835 585604120 /nfs/dbraw/zinc/60/41/20/585604120.db2.gz WKJBFLSKZPEOBO-UHFFFAOYSA-N 1 2 247.319 3.117 20 0 BGADLO Cc1ccc(COC(=O)[C@@H]2CC=CCC2)c(C)[nH+]1 ZINC000771912938 585604406 /nfs/dbraw/zinc/60/44/06/585604406.db2.gz IJJFOBVEZUFAPF-CYBMUJFWSA-N 1 2 245.322 3.098 20 0 BGADLO Cc1ccc(COC(=O)[C@H]2CC=CCC2)c(C)[nH+]1 ZINC000771912940 585604441 /nfs/dbraw/zinc/60/44/41/585604441.db2.gz IJJFOBVEZUFAPF-ZDUSSCGKSA-N 1 2 245.322 3.098 20 0 BGADLO Cc1ccc(COC(=O)C2(C)CCCC2)c(C)[nH+]1 ZINC000771914159 585604466 /nfs/dbraw/zinc/60/44/66/585604466.db2.gz NAGALPGZJRFOHU-UHFFFAOYSA-N 1 2 247.338 3.322 20 0 BGADLO Cc1ccc(COC(=O)CCC(C)C)c(C)[nH+]1 ZINC000771926416 585604804 /nfs/dbraw/zinc/60/48/04/585604804.db2.gz AMQSYQVJVPISTQ-UHFFFAOYSA-N 1 2 235.327 3.178 20 0 BGADLO CC/C=C(/C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000771926708 585604657 /nfs/dbraw/zinc/60/46/57/585604657.db2.gz CBMDSFKSDXYQOV-POHAHGRESA-N 1 2 233.311 3.098 20 0 BGADLO CC/C=C(\C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000771926709 585604560 /nfs/dbraw/zinc/60/45/60/585604560.db2.gz CBMDSFKSDXYQOV-UXBLZVDNSA-N 1 2 233.311 3.098 20 0 BGADLO C[N@@H+](Cc1coc(C2CC2)n1)Cc1ccccc1 ZINC000771929295 585604677 /nfs/dbraw/zinc/60/46/77/585604677.db2.gz WLCRENGOWKJFPF-UHFFFAOYSA-N 1 2 242.322 3.184 20 0 BGADLO C[N@H+](Cc1coc(C2CC2)n1)Cc1ccccc1 ZINC000771929295 585604676 /nfs/dbraw/zinc/60/46/76/585604676.db2.gz WLCRENGOWKJFPF-UHFFFAOYSA-N 1 2 242.322 3.184 20 0 BGADLO CCC[C@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772018641 585607019 /nfs/dbraw/zinc/60/70/19/585607019.db2.gz SSPYTZQCLSQMLG-JTQLQIEISA-N 1 2 235.327 3.178 20 0 BGADLO CCC[C@@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772018642 585606979 /nfs/dbraw/zinc/60/69/79/585606979.db2.gz SSPYTZQCLSQMLG-SNVBAGLBSA-N 1 2 235.327 3.178 20 0 BGADLO CCC/C=C\C(=O)OCc1ccc(C)[nH+]c1C ZINC000772018937 585606818 /nfs/dbraw/zinc/60/68/18/585606818.db2.gz VGSLCWGAUYVSQN-SREVYHEPSA-N 1 2 233.311 3.098 20 0 BGADLO CCC/C=C/C(=O)OCc1ccc(C)[nH+]c1C ZINC000772018938 585607082 /nfs/dbraw/zinc/60/70/82/585607082.db2.gz VGSLCWGAUYVSQN-VOTSOKGWSA-N 1 2 233.311 3.098 20 0 BGADLO CCC(CC)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772018962 585607104 /nfs/dbraw/zinc/60/71/04/585607104.db2.gz VXBIVSVTASVSAB-UHFFFAOYSA-N 1 2 235.327 3.178 20 0 BGADLO C/C(=C\C(=O)OCc1ccc(C)[nH+]c1C)C1CC1 ZINC000772034595 585607534 /nfs/dbraw/zinc/60/75/34/585607534.db2.gz FLJSKXAAWHDNRR-CSKARUKUSA-N 1 2 245.322 3.098 20 0 BGADLO C/C(=C/C(=O)OCc1ccc(C)[nH+]c1C)C1CC1 ZINC000772034596 585607186 /nfs/dbraw/zinc/60/71/86/585607186.db2.gz FLJSKXAAWHDNRR-NTMALXAHSA-N 1 2 245.322 3.098 20 0 BGADLO Cc1ccc(COC(=O)C=C2CCCC2)c(C)[nH+]1 ZINC000772037422 585607326 /nfs/dbraw/zinc/60/73/26/585607326.db2.gz DITAMCRZDXQYQM-UHFFFAOYSA-N 1 2 245.322 3.242 20 0 BGADLO CCC/C(C)=C\C(=O)OCc1ccc(C)[nH+]c1C ZINC000772041907 585607590 /nfs/dbraw/zinc/60/75/90/585607590.db2.gz FGRLBYOCHQVCTQ-LUAWRHEFSA-N 1 2 247.338 3.488 20 0 BGADLO CCC/C(C)=C/C(=O)OCc1ccc(C)[nH+]c1C ZINC000772041910 585607469 /nfs/dbraw/zinc/60/74/69/585607469.db2.gz FGRLBYOCHQVCTQ-PKNBQFBNSA-N 1 2 247.338 3.488 20 0 BGADLO Cc1ccc(COC(=O)C[C@H](C)C2CC2)c(C)[nH+]1 ZINC000772052309 585607863 /nfs/dbraw/zinc/60/78/63/585607863.db2.gz KWUYDOUPOZLDSF-JTQLQIEISA-N 1 2 247.338 3.178 20 0 BGADLO Cc1ccc(COC(=O)C[C@@H](C)C2CC2)c(C)[nH+]1 ZINC000772052310 585607687 /nfs/dbraw/zinc/60/76/87/585607687.db2.gz KWUYDOUPOZLDSF-SNVBAGLBSA-N 1 2 247.338 3.178 20 0 BGADLO CCC(C)(C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772076681 585608040 /nfs/dbraw/zinc/60/80/40/585608040.db2.gz RWIHAXBVFAQZBV-UHFFFAOYSA-N 1 2 235.327 3.178 20 0 BGADLO Cc1ccc(COC(=O)/C=C/C(C)(C)C)c(C)[nH+]1 ZINC000772112728 585608607 /nfs/dbraw/zinc/60/86/07/585608607.db2.gz FOLGDTHGJOZGNL-CMDGGOBGSA-N 1 2 247.338 3.344 20 0 BGADLO Cc1ccc(COC(=O)/C=C\C(C)(C)C)c(C)[nH+]1 ZINC000772112803 585608758 /nfs/dbraw/zinc/60/87/58/585608758.db2.gz FOLGDTHGJOZGNL-HJWRWDBZSA-N 1 2 247.338 3.344 20 0 BGADLO Cc1ccc(COC(=O)[C@H](C)C(C)C)c(C)[nH+]1 ZINC000772134468 585608842 /nfs/dbraw/zinc/60/88/42/585608842.db2.gz XSRJTOYDHNPVQK-LLVKDONJSA-N 1 2 235.327 3.034 20 0 BGADLO Cc1ccc(COC(=O)[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000772134471 585608822 /nfs/dbraw/zinc/60/88/22/585608822.db2.gz XSRJTOYDHNPVQK-NSHDSACASA-N 1 2 235.327 3.034 20 0 BGADLO Cc1ccc(COC(=O)[C@@H](C)C(C)(C)C)c(C)[nH+]1 ZINC000772138929 585609159 /nfs/dbraw/zinc/60/91/59/585609159.db2.gz XGLSHWHSJKWTBY-LLVKDONJSA-N 1 2 249.354 3.424 20 0 BGADLO Cc1ccc(COC(=O)[C@H](C)C(C)(C)C)c(C)[nH+]1 ZINC000772138930 585609166 /nfs/dbraw/zinc/60/91/66/585609166.db2.gz XGLSHWHSJKWTBY-NSHDSACASA-N 1 2 249.354 3.424 20 0 BGADLO Cc1ccc(COC(=O)CCC2CCC2)c(C)[nH+]1 ZINC000772167270 585609542 /nfs/dbraw/zinc/60/95/42/585609542.db2.gz JUGXUQNFXXASMX-UHFFFAOYSA-N 1 2 247.338 3.322 20 0 BGADLO CCC1(C(=O)OCc2ccc(C)[nH+]c2C)CCC1 ZINC000772180816 585609369 /nfs/dbraw/zinc/60/93/69/585609369.db2.gz DWJAOSOXNXNUNI-UHFFFAOYSA-N 1 2 247.338 3.322 20 0 BGADLO CC(C)=C(C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772184010 585609792 /nfs/dbraw/zinc/60/97/92/585609792.db2.gz FOFKPSHMXUVZHN-UHFFFAOYSA-N 1 2 233.311 3.098 20 0 BGADLO CC(=CC(C)(C)C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000772185269 585609692 /nfs/dbraw/zinc/60/96/92/585609692.db2.gz IXWFRWPYFFMYIA-CSKARUKUSA-N 1 2 246.354 3.051 20 0 BGADLO CC(=CC(C)(C)C)C(=O)Nc1cc(C)[nH+]cc1C ZINC000772185280 585609826 /nfs/dbraw/zinc/60/98/26/585609826.db2.gz IXWFRWPYFFMYIA-NTMALXAHSA-N 1 2 246.354 3.051 20 0 BGADLO CCCC1(C(=O)OCc2ccc(C)[nH+]c2C)CC1 ZINC000772185884 585609833 /nfs/dbraw/zinc/60/98/33/585609833.db2.gz ZQGPJHRBIWYIOA-UHFFFAOYSA-N 1 2 247.338 3.322 20 0 BGADLO CCC(=CC(=O)OCc1ccc(C)[nH+]c1C)CC ZINC000772188543 585609799 /nfs/dbraw/zinc/60/97/99/585609799.db2.gz QXTIAHGHQHFMSG-UHFFFAOYSA-N 1 2 247.338 3.488 20 0 BGADLO CC1=C(C(=O)OCc2ccc(C)[nH+]c2C)CCC1 ZINC000772212126 585610186 /nfs/dbraw/zinc/61/01/86/585610186.db2.gz BOMLWUIDDPLRDI-UHFFFAOYSA-N 1 2 245.322 3.242 20 0 BGADLO Cc1ccc(COC(=O)[C@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000772248066 585611075 /nfs/dbraw/zinc/61/10/75/585611075.db2.gz TYXKGURFFPBKBM-GWCFXTLKSA-N 1 2 247.338 3.178 20 0 BGADLO Cc1ccc(COC(=O)[C@@H]2CC[C@H](C)C2)c(C)[nH+]1 ZINC000772248068 585610939 /nfs/dbraw/zinc/61/09/39/585610939.db2.gz TYXKGURFFPBKBM-GXFFZTMASA-N 1 2 247.338 3.178 20 0 BGADLO Cc1ccc(COC(=O)[C@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000772248069 585611027 /nfs/dbraw/zinc/61/10/27/585611027.db2.gz TYXKGURFFPBKBM-MFKMUULPSA-N 1 2 247.338 3.178 20 0 BGADLO Cc1ccc(COC(=O)[C@@H]2CC[C@@H](C)C2)c(C)[nH+]1 ZINC000772248070 585610739 /nfs/dbraw/zinc/61/07/39/585610739.db2.gz TYXKGURFFPBKBM-ZWNOBZJWSA-N 1 2 247.338 3.178 20 0 BGADLO CC[C@H](C)[C@@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772252995 585610957 /nfs/dbraw/zinc/61/09/57/585610957.db2.gz CNOJHEMKVURSFH-CMPLNLGQSA-N 1 2 249.354 3.424 20 0 BGADLO CC[C@H](C)[C@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772252996 585611053 /nfs/dbraw/zinc/61/10/53/585611053.db2.gz CNOJHEMKVURSFH-JQWIXIFHSA-N 1 2 249.354 3.424 20 0 BGADLO CC[C@@H](C)[C@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772252997 585610968 /nfs/dbraw/zinc/61/09/68/585610968.db2.gz CNOJHEMKVURSFH-PWSUYJOCSA-N 1 2 249.354 3.424 20 0 BGADLO CC[C@@H](C)[C@@H](C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772252998 585611008 /nfs/dbraw/zinc/61/10/08/585611008.db2.gz CNOJHEMKVURSFH-ZYHUDNBSSA-N 1 2 249.354 3.424 20 0 BGADLO CC/C(C)=C(/C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772254510 585610946 /nfs/dbraw/zinc/61/09/46/585610946.db2.gz IVTBDDPIXLTTQH-BENRWUELSA-N 1 2 247.338 3.488 20 0 BGADLO CC/C(C)=C(\C)C(=O)OCc1ccc(C)[nH+]c1C ZINC000772254513 585611182 /nfs/dbraw/zinc/61/11/82/585611182.db2.gz IVTBDDPIXLTTQH-ZRDIBKRKSA-N 1 2 247.338 3.488 20 0 BGADLO CC(C)=CCSCc1cc[nH+]c(N(C)C)c1 ZINC000772267696 585611560 /nfs/dbraw/zinc/61/15/60/585611560.db2.gz RJQAZPYVACTQFU-UHFFFAOYSA-N 1 2 236.384 3.347 20 0 BGADLO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(F)(F)C(F)F ZINC000772345550 585613173 /nfs/dbraw/zinc/61/31/73/585613173.db2.gz LTDQWUCHDRALNG-HTQZYQBOSA-N 1 2 227.245 3.150 20 0 BGADLO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(F)(F)C(F)F ZINC000772345550 585613172 /nfs/dbraw/zinc/61/31/72/585613172.db2.gz LTDQWUCHDRALNG-HTQZYQBOSA-N 1 2 227.245 3.150 20 0 BGADLO CC[C@@H]1CC[C@H](C)[N@H+]1CC(F)(F)C(F)F ZINC000772345555 585613184 /nfs/dbraw/zinc/61/31/84/585613184.db2.gz LTDQWUCHDRALNG-JGVFFNPUSA-N 1 2 227.245 3.150 20 0 BGADLO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(F)(F)C(F)F ZINC000772345555 585613183 /nfs/dbraw/zinc/61/31/83/585613183.db2.gz LTDQWUCHDRALNG-JGVFFNPUSA-N 1 2 227.245 3.150 20 0 BGADLO CC[C@H]1CC[C@@H](C)[N@H+]1CC(F)(F)C(F)F ZINC000772345558 585613046 /nfs/dbraw/zinc/61/30/46/585613046.db2.gz LTDQWUCHDRALNG-SFYZADRCSA-N 1 2 227.245 3.150 20 0 BGADLO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(F)(F)C(F)F ZINC000772345558 585613045 /nfs/dbraw/zinc/61/30/45/585613045.db2.gz LTDQWUCHDRALNG-SFYZADRCSA-N 1 2 227.245 3.150 20 0 BGADLO CC[C@H]1CC[C@H](C)[N@H+]1CC(F)(F)C(F)F ZINC000772345563 585613085 /nfs/dbraw/zinc/61/30/85/585613085.db2.gz LTDQWUCHDRALNG-YUMQZZPRSA-N 1 2 227.245 3.150 20 0 BGADLO CC[C@H]1CC[C@H](C)[N@@H+]1CC(F)(F)C(F)F ZINC000772345563 585613084 /nfs/dbraw/zinc/61/30/84/585613084.db2.gz LTDQWUCHDRALNG-YUMQZZPRSA-N 1 2 227.245 3.150 20 0 BGADLO Cc1ccc(COC(=O)[C@H](C)CC(C)C)c(C)[nH+]1 ZINC000772353952 585612928 /nfs/dbraw/zinc/61/29/28/585612928.db2.gz DGEXNHYAYCMZKV-LLVKDONJSA-N 1 2 249.354 3.424 20 0 BGADLO Cc1ccc(COC(=O)[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC000772353954 585613212 /nfs/dbraw/zinc/61/32/12/585613212.db2.gz DGEXNHYAYCMZKV-NSHDSACASA-N 1 2 249.354 3.424 20 0 BGADLO Cc1ccc(COC(=O)[C@H]2C[C@H]2C(C)C)c(C)[nH+]1 ZINC000772490045 585616331 /nfs/dbraw/zinc/61/63/31/585616331.db2.gz KSMCXPMCSIJPSJ-KBPBESRZSA-N 1 2 247.338 3.034 20 0 BGADLO Cc1ccc(COC(=O)[C@H]2C[C@@H]2C(C)C)c(C)[nH+]1 ZINC000772490047 585616393 /nfs/dbraw/zinc/61/63/93/585616393.db2.gz KSMCXPMCSIJPSJ-KGLIPLIRSA-N 1 2 247.338 3.034 20 0 BGADLO Cc1ccc(COC(=O)[C@@H]2C[C@H]2C(C)C)c(C)[nH+]1 ZINC000772490049 585616129 /nfs/dbraw/zinc/61/61/29/585616129.db2.gz KSMCXPMCSIJPSJ-UONOGXRCSA-N 1 2 247.338 3.034 20 0 BGADLO Cc1ccc(COC(=O)[C@@H]2C[C@@H]2C(C)C)c(C)[nH+]1 ZINC000772490051 585616231 /nfs/dbraw/zinc/61/62/31/585616231.db2.gz KSMCXPMCSIJPSJ-ZIAGYGMSSA-N 1 2 247.338 3.034 20 0 BGADLO COc1cc(C)c([NH2+][C@@H]2CCCOCC2)cc1C ZINC000774486294 585660097 /nfs/dbraw/zinc/66/00/97/585660097.db2.gz XEJKTLUVIONFBL-CYBMUJFWSA-N 1 2 249.354 3.293 20 0 BGADLO COc1cc(C)c([NH2+][C@H]2CCCOCC2)cc1C ZINC000774486302 585660233 /nfs/dbraw/zinc/66/02/33/585660233.db2.gz XEJKTLUVIONFBL-ZDUSSCGKSA-N 1 2 249.354 3.293 20 0 BGADLO Cc1ccc(COc2cccnc2Cl)c(C)[nH+]1 ZINC000774761818 585665371 /nfs/dbraw/zinc/66/53/71/585665371.db2.gz LSRULMGEXSNNCS-UHFFFAOYSA-N 1 2 248.713 3.326 20 0 BGADLO CCCOC(=O)[C@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000774843807 585667220 /nfs/dbraw/zinc/66/72/20/585667220.db2.gz WJHNFYNZTKYNSC-GXTWGEPZSA-N 1 2 249.354 3.069 20 0 BGADLO CCCOC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000774843809 585667120 /nfs/dbraw/zinc/66/71/20/585667120.db2.gz WJHNFYNZTKYNSC-JSGCOSHPSA-N 1 2 249.354 3.069 20 0 BGADLO CCCOC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000774843810 585667323 /nfs/dbraw/zinc/66/73/23/585667323.db2.gz WJHNFYNZTKYNSC-OCCSQVGLSA-N 1 2 249.354 3.069 20 0 BGADLO CCCOC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000774843812 585667285 /nfs/dbraw/zinc/66/72/85/585667285.db2.gz WJHNFYNZTKYNSC-TZMCWYRMSA-N 1 2 249.354 3.069 20 0 BGADLO FC(F)C[N@@H+](CC1CCC1)C[C@H]1CCC=CO1 ZINC000774910614 585668952 /nfs/dbraw/zinc/66/89/52/585668952.db2.gz AHCAZQSYAHKSQM-GFCCVEGCSA-N 1 2 245.313 3.046 20 0 BGADLO FC(F)C[N@H+](CC1CCC1)C[C@H]1CCC=CO1 ZINC000774910614 585668951 /nfs/dbraw/zinc/66/89/51/585668951.db2.gz AHCAZQSYAHKSQM-GFCCVEGCSA-N 1 2 245.313 3.046 20 0 BGADLO FC(F)C[N@@H+](CC1CCC1)C[C@@H]1CCC=CO1 ZINC000774910618 585669161 /nfs/dbraw/zinc/66/91/61/585669161.db2.gz AHCAZQSYAHKSQM-LBPRGKRZSA-N 1 2 245.313 3.046 20 0 BGADLO FC(F)C[N@H+](CC1CCC1)C[C@@H]1CCC=CO1 ZINC000774910618 585669160 /nfs/dbraw/zinc/66/91/60/585669160.db2.gz AHCAZQSYAHKSQM-LBPRGKRZSA-N 1 2 245.313 3.046 20 0 BGADLO C1=CO[C@H](CNc2c[nH+]c3c(c2)CCCC3)CC1 ZINC000775052462 585671048 /nfs/dbraw/zinc/67/10/48/585671048.db2.gz FCOHHLOPEBSDBA-AWEZNQCLSA-N 1 2 244.338 3.065 20 0 BGADLO C1=CO[C@@H](CNc2c[nH+]c3c(c2)CCCC3)CC1 ZINC000775052463 585671125 /nfs/dbraw/zinc/67/11/25/585671125.db2.gz FCOHHLOPEBSDBA-CQSZACIVSA-N 1 2 244.338 3.065 20 0 BGADLO Cc1ccc(CSC2=NCCS2)c(C)[nH+]1 ZINC000775128976 585672699 /nfs/dbraw/zinc/67/26/99/585672699.db2.gz COULUFBPAXJUTA-UHFFFAOYSA-N 1 2 238.381 3.034 20 0 BGADLO COC[C@@H](C)C[NH2+]c1cc(C)c(OC)cc1C ZINC000775184654 585673053 /nfs/dbraw/zinc/67/30/53/585673053.db2.gz QVMQFZQSPBLEAG-JTQLQIEISA-N 1 2 237.343 3.006 20 0 BGADLO COC[C@H](C)C[NH2+]c1cc(C)c(OC)cc1C ZINC000775184674 585673257 /nfs/dbraw/zinc/67/32/57/585673257.db2.gz QVMQFZQSPBLEAG-SNVBAGLBSA-N 1 2 237.343 3.006 20 0 BGADLO Clc1cccc2[nH]c(NCc3ccoc3)[nH+]c21 ZINC000775205612 585673420 /nfs/dbraw/zinc/67/34/20/585673420.db2.gz NYMGUSYCWKADOV-UHFFFAOYSA-N 1 2 247.685 3.421 20 0 BGADLO C[C@@H]1CCCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000775729147 585683521 /nfs/dbraw/zinc/68/35/21/585683521.db2.gz CIJGBLUVYIOZDK-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO C[C@@H]1CCCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000775729147 585683520 /nfs/dbraw/zinc/68/35/20/585683520.db2.gz CIJGBLUVYIOZDK-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO C[C@H]1CCCC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000775729148 585683313 /nfs/dbraw/zinc/68/33/13/585683313.db2.gz CIJGBLUVYIOZDK-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO C[C@H]1CCCC[N@H+](CC(F)(F)C(F)F)C1 ZINC000775729148 585683312 /nfs/dbraw/zinc/68/33/12/585683312.db2.gz CIJGBLUVYIOZDK-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO CCCCC[C@@H](CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000775736503 585683785 /nfs/dbraw/zinc/68/37/85/585683785.db2.gz HCHJJGAGYHYBHK-CYBMUJFWSA-N 1 2 248.370 3.357 20 0 BGADLO CCCCC[C@H](CC)C(=O)Nc1cc[nH+]c(C)c1 ZINC000775736504 585683900 /nfs/dbraw/zinc/68/39/00/585683900.db2.gz HCHJJGAGYHYBHK-ZDUSSCGKSA-N 1 2 248.370 3.357 20 0 BGADLO CC[C@@H]1[C@H](C)CC[N@H+]1CC(F)(F)C(F)F ZINC000775782107 585684387 /nfs/dbraw/zinc/68/43/87/585684387.db2.gz BOINUUPVFBRWSC-HTQZYQBOSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(F)(F)C(F)F ZINC000775782107 585684386 /nfs/dbraw/zinc/68/43/86/585684386.db2.gz BOINUUPVFBRWSC-HTQZYQBOSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(F)(F)C(F)F ZINC000775782108 585684561 /nfs/dbraw/zinc/68/45/61/585684561.db2.gz BOINUUPVFBRWSC-JGVFFNPUSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(F)(F)C(F)F ZINC000775782108 585684560 /nfs/dbraw/zinc/68/45/60/585684560.db2.gz BOINUUPVFBRWSC-JGVFFNPUSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@H]1[C@H](C)CC[N@H+]1CC(F)(F)C(F)F ZINC000775782110 585684508 /nfs/dbraw/zinc/68/45/08/585684508.db2.gz BOINUUPVFBRWSC-SFYZADRCSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@H]1[C@H](C)CC[N@@H+]1CC(F)(F)C(F)F ZINC000775782110 585684507 /nfs/dbraw/zinc/68/45/07/585684507.db2.gz BOINUUPVFBRWSC-SFYZADRCSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@H]1[C@@H](C)CC[N@H+]1CC(F)(F)C(F)F ZINC000775782111 585684324 /nfs/dbraw/zinc/68/43/24/585684324.db2.gz BOINUUPVFBRWSC-YUMQZZPRSA-N 1 2 227.245 3.007 20 0 BGADLO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(F)(F)C(F)F ZINC000775782111 585684323 /nfs/dbraw/zinc/68/43/23/585684323.db2.gz BOINUUPVFBRWSC-YUMQZZPRSA-N 1 2 227.245 3.007 20 0 BGADLO CCN(CCCn1cc[nH+]c1)c1ccc(C)cc1 ZINC000775985301 585689010 /nfs/dbraw/zinc/68/90/10/585689010.db2.gz OCQRZXOMSTUZLA-UHFFFAOYSA-N 1 2 243.354 3.108 20 0 BGADLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccoc2)cs1 ZINC000775992428 585688973 /nfs/dbraw/zinc/68/89/73/585688973.db2.gz QWIWGTGYDVNNET-CYBMUJFWSA-N 1 2 248.351 3.382 20 0 BGADLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccoc2)cs1 ZINC000775992428 585688972 /nfs/dbraw/zinc/68/89/72/585688972.db2.gz QWIWGTGYDVNNET-CYBMUJFWSA-N 1 2 248.351 3.382 20 0 BGADLO CN(Cc1c[nH]c[nH+]1)c1ccc(C(C)(C)C)cc1 ZINC000776100602 585690070 /nfs/dbraw/zinc/69/00/70/585690070.db2.gz SHHSGCIFILIYQY-UHFFFAOYSA-N 1 2 243.354 3.344 20 0 BGADLO CN(Cc1c[nH+]c[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000776100602 585690069 /nfs/dbraw/zinc/69/00/69/585690069.db2.gz SHHSGCIFILIYQY-UHFFFAOYSA-N 1 2 243.354 3.344 20 0 BGADLO CC(C)c1cccc(N(C)Cc2c[nH]c[nH+]2)c1 ZINC000776100666 585690179 /nfs/dbraw/zinc/69/01/79/585690179.db2.gz UPJXQPRSOUJHED-UHFFFAOYSA-N 1 2 229.327 3.170 20 0 BGADLO CC(C)c1cccc(N(C)Cc2c[nH+]c[nH]2)c1 ZINC000776100666 585690178 /nfs/dbraw/zinc/69/01/78/585690178.db2.gz UPJXQPRSOUJHED-UHFFFAOYSA-N 1 2 229.327 3.170 20 0 BGADLO COc1ccc[nH+]c1NC/C=C\c1ccccc1 ZINC000776254563 585693856 /nfs/dbraw/zinc/69/38/56/585693856.db2.gz ZTIOBPCUKAYAJN-UITAMQMPSA-N 1 2 240.306 3.216 20 0 BGADLO COc1ccc[nH+]c1NC/C=C/c1ccccc1 ZINC000776254564 585693913 /nfs/dbraw/zinc/69/39/13/585693913.db2.gz ZTIOBPCUKAYAJN-WEVVVXLNSA-N 1 2 240.306 3.216 20 0 BGADLO CCOc1ccc([NH2+][C@H](C)C2CCOCC2)cc1 ZINC000776747143 585703888 /nfs/dbraw/zinc/70/38/88/585703888.db2.gz OKEFGXAUBKAUIM-GFCCVEGCSA-N 1 2 249.354 3.312 20 0 BGADLO CCOc1ccc([NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000776747144 585703890 /nfs/dbraw/zinc/70/38/90/585703890.db2.gz OKEFGXAUBKAUIM-LBPRGKRZSA-N 1 2 249.354 3.312 20 0 BGADLO CC[C@H]([NH2+]c1ccc(OC)cc1)C1CCOCC1 ZINC000776783056 585705503 /nfs/dbraw/zinc/70/55/03/585705503.db2.gz VOPUFFHBPDYMBF-HNNXBMFYSA-N 1 2 249.354 3.312 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(OC)cc1)C1CCOCC1 ZINC000776783058 585705494 /nfs/dbraw/zinc/70/54/94/585705494.db2.gz VOPUFFHBPDYMBF-OAHLLOKOSA-N 1 2 249.354 3.312 20 0 BGADLO Clc1ccc2c(c1)C[C@H](Nc1cccc[nH+]1)C2 ZINC000776792204 585705774 /nfs/dbraw/zinc/70/57/74/585705774.db2.gz QDAWLLGVTYOYJK-CYBMUJFWSA-N 1 2 244.725 3.314 20 0 BGADLO Clc1ccc2c(c1)C[C@@H](Nc1cccc[nH+]1)C2 ZINC000776792205 585705722 /nfs/dbraw/zinc/70/57/22/585705722.db2.gz QDAWLLGVTYOYJK-ZDUSSCGKSA-N 1 2 244.725 3.314 20 0 BGADLO C[C@@H](CO)C[N@@H+](CC(C)(C)C)c1ccccc1 ZINC000776813336 585705961 /nfs/dbraw/zinc/70/59/61/585705961.db2.gz ZJSYCQDSMXAZRY-CYBMUJFWSA-N 1 2 235.371 3.168 20 0 BGADLO C[C@@H](CO)C[N@H+](CC(C)(C)C)c1ccccc1 ZINC000776813336 585705960 /nfs/dbraw/zinc/70/59/60/585705960.db2.gz ZJSYCQDSMXAZRY-CYBMUJFWSA-N 1 2 235.371 3.168 20 0 BGADLO C[C@H](CO)C[N@@H+](CC(C)(C)C)c1ccccc1 ZINC000776813337 585705905 /nfs/dbraw/zinc/70/59/05/585705905.db2.gz ZJSYCQDSMXAZRY-ZDUSSCGKSA-N 1 2 235.371 3.168 20 0 BGADLO C[C@H](CO)C[N@H+](CC(C)(C)C)c1ccccc1 ZINC000776813337 585705904 /nfs/dbraw/zinc/70/59/04/585705904.db2.gz ZJSYCQDSMXAZRY-ZDUSSCGKSA-N 1 2 235.371 3.168 20 0 BGADLO Clc1cc(-c2[nH+]ccn2CC2CC2)ccn1 ZINC000776831068 585705972 /nfs/dbraw/zinc/70/59/72/585705972.db2.gz CSOLSKLXRZVGSZ-UHFFFAOYSA-N 1 2 233.702 3.009 20 0 BGADLO CC(C)Cn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000776831121 585705952 /nfs/dbraw/zinc/70/59/52/585705952.db2.gz FPCOQBGOBAZUJO-UHFFFAOYSA-N 1 2 235.718 3.255 20 0 BGADLO CCCCn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000776833316 585705843 /nfs/dbraw/zinc/70/58/43/585705843.db2.gz RCCKHCDFSYYROL-UHFFFAOYSA-N 1 2 235.718 3.399 20 0 BGADLO CCCn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000776833538 585705907 /nfs/dbraw/zinc/70/59/07/585705907.db2.gz RSOSOZQXELVXCA-UHFFFAOYSA-N 1 2 221.691 3.009 20 0 BGADLO Clc1cc(-c2[nH+]ccn2CC2CCC2)ccn1 ZINC000776833999 585706016 /nfs/dbraw/zinc/70/60/16/585706016.db2.gz YQQFNCRHADJOKW-UHFFFAOYSA-N 1 2 247.729 3.399 20 0 BGADLO CC(C)Cc1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000776863103 585706211 /nfs/dbraw/zinc/70/62/11/585706211.db2.gz UHIHVFIQCUFTFD-UHFFFAOYSA-N 1 2 244.338 3.325 20 0 BGADLO CCc1noc(C)c1[C@H](C)Nc1ccc(C)[nH+]c1 ZINC000777234465 585709730 /nfs/dbraw/zinc/70/97/30/585709730.db2.gz INWBWWKHOSJXJN-JTQLQIEISA-N 1 2 245.326 3.422 20 0 BGADLO CCc1noc(C)c1[C@@H](C)Nc1ccc(C)[nH+]c1 ZINC000777234466 585709723 /nfs/dbraw/zinc/70/97/23/585709723.db2.gz INWBWWKHOSJXJN-SNVBAGLBSA-N 1 2 245.326 3.422 20 0 BGADLO CCC1(CC)[C@@H](Nc2ccc[nH+]c2C)C[C@@H]1OC ZINC000777248348 585709744 /nfs/dbraw/zinc/70/97/44/585709744.db2.gz GJGDNKRDKOVFAV-KBPBESRZSA-N 1 2 248.370 3.396 20 0 BGADLO CCC1(CC)[C@H](Nc2ccc[nH+]c2C)C[C@@H]1OC ZINC000777248356 585709874 /nfs/dbraw/zinc/70/98/74/585709874.db2.gz GJGDNKRDKOVFAV-KGLIPLIRSA-N 1 2 248.370 3.396 20 0 BGADLO CCC1(CC)[C@H](OC)C[C@@H]1Nc1ccc[nH+]c1C ZINC000777248358 585709794 /nfs/dbraw/zinc/70/97/94/585709794.db2.gz GJGDNKRDKOVFAV-UONOGXRCSA-N 1 2 248.370 3.396 20 0 BGADLO CCC1(CC)[C@H](Nc2ccc[nH+]c2C)C[C@H]1OC ZINC000777248360 585709851 /nfs/dbraw/zinc/70/98/51/585709851.db2.gz GJGDNKRDKOVFAV-ZIAGYGMSSA-N 1 2 248.370 3.396 20 0 BGADLO CCC1(CC)[C@@H](Nc2c[nH+]cc(C)c2)C[C@@H]1OC ZINC000777253453 585709847 /nfs/dbraw/zinc/70/98/47/585709847.db2.gz BRLKGXXOONQRHA-KBPBESRZSA-N 1 2 248.370 3.396 20 0 BGADLO CCC1(CC)[C@H](Nc2c[nH+]cc(C)c2)C[C@@H]1OC ZINC000777253456 585709671 /nfs/dbraw/zinc/70/96/71/585709671.db2.gz BRLKGXXOONQRHA-KGLIPLIRSA-N 1 2 248.370 3.396 20 0 BGADLO CCC1(CC)[C@H](OC)C[C@@H]1Nc1c[nH+]cc(C)c1 ZINC000777253458 585709692 /nfs/dbraw/zinc/70/96/92/585709692.db2.gz BRLKGXXOONQRHA-UONOGXRCSA-N 1 2 248.370 3.396 20 0 BGADLO CCC1(CC)[C@H](Nc2c[nH+]cc(C)c2)C[C@H]1OC ZINC000777253460 585709774 /nfs/dbraw/zinc/70/97/74/585709774.db2.gz BRLKGXXOONQRHA-ZIAGYGMSSA-N 1 2 248.370 3.396 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2ccc(CF)cc2)no1 ZINC000777555249 585715105 /nfs/dbraw/zinc/71/51/05/585715105.db2.gz NJRBOGOOFSDBID-UHFFFAOYSA-N 1 2 248.301 3.085 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2ccc(CF)cc2)no1 ZINC000777555249 585715104 /nfs/dbraw/zinc/71/51/04/585715104.db2.gz NJRBOGOOFSDBID-UHFFFAOYSA-N 1 2 248.301 3.085 20 0 BGADLO COc1ccc([NH2+][C@H](C)C2CCOCC2)c(C)c1 ZINC000777626312 585717440 /nfs/dbraw/zinc/71/74/40/585717440.db2.gz BZCDPCJKWZXIBP-GFCCVEGCSA-N 1 2 249.354 3.231 20 0 BGADLO COc1ccc([NH2+][C@@H](C)C2CCOCC2)c(C)c1 ZINC000777626316 585717522 /nfs/dbraw/zinc/71/75/22/585717522.db2.gz BZCDPCJKWZXIBP-LBPRGKRZSA-N 1 2 249.354 3.231 20 0 BGADLO CC[C@@H]([NH2+]c1ccc2c(c1)N(C)CCO2)C1CC1 ZINC000777688815 585718477 /nfs/dbraw/zinc/71/84/77/585718477.db2.gz FQQILTLRYQGUGT-CYBMUJFWSA-N 1 2 246.354 3.116 20 0 BGADLO CC[C@H]([NH2+]c1ccc2c(c1)N(C)CCO2)C1CC1 ZINC000777688817 585718418 /nfs/dbraw/zinc/71/84/18/585718418.db2.gz FQQILTLRYQGUGT-ZDUSSCGKSA-N 1 2 246.354 3.116 20 0 BGADLO CC[C@@H]([NH2+]c1ccc2c(c1)N(C)CCO2)C(C)C ZINC000777688902 585718542 /nfs/dbraw/zinc/71/85/42/585718542.db2.gz HOHYHPKZEZCERH-CYBMUJFWSA-N 1 2 248.370 3.362 20 0 BGADLO CC[C@H]([NH2+]c1ccc2c(c1)N(C)CCO2)C(C)C ZINC000777688903 585718516 /nfs/dbraw/zinc/71/85/16/585718516.db2.gz HOHYHPKZEZCERH-ZDUSSCGKSA-N 1 2 248.370 3.362 20 0 BGADLO C[C@@H]([NH2+]c1ccc2c(c1)N(C)CCO2)C(C)(C)C ZINC000777689802 585718713 /nfs/dbraw/zinc/71/87/13/585718713.db2.gz RMMYNXAVERWGMO-LLVKDONJSA-N 1 2 248.370 3.362 20 0 BGADLO C[C@H]([NH2+]c1ccc2c(c1)N(C)CCO2)C(C)(C)C ZINC000777689803 585718595 /nfs/dbraw/zinc/71/85/95/585718595.db2.gz RMMYNXAVERWGMO-NSHDSACASA-N 1 2 248.370 3.362 20 0 BGADLO CC[C@@H](C)[C@H](C)[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000777689812 585718475 /nfs/dbraw/zinc/71/84/75/585718475.db2.gz RRSFFTQYIGBQKY-NEPJUHHUSA-N 1 2 248.370 3.362 20 0 BGADLO CC[C@H](C)[C@@H](C)[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000777689815 644708447 /nfs/dbraw/zinc/70/84/47/644708447.db2.gz RRSFFTQYIGBQKY-NWDGAFQWSA-N 1 2 248.370 3.362 20 0 BGADLO CC[C@H](C)[C@H](C)[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000777689816 585718606 /nfs/dbraw/zinc/71/86/06/585718606.db2.gz RRSFFTQYIGBQKY-RYUDHWBXSA-N 1 2 248.370 3.362 20 0 BGADLO CC[C@@H](C)[C@@H](C)[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000777689818 585718490 /nfs/dbraw/zinc/71/84/90/585718490.db2.gz RRSFFTQYIGBQKY-VXGBXAGGSA-N 1 2 248.370 3.362 20 0 BGADLO FCc1ccc(C[N@H+]2CCC[C@H]2C(F)F)cc1 ZINC000777713354 585718838 /nfs/dbraw/zinc/71/88/38/585718838.db2.gz PSAQWVXOYFLGBW-LBPRGKRZSA-N 1 2 243.272 3.386 20 0 BGADLO FCc1ccc(C[N@@H+]2CCC[C@H]2C(F)F)cc1 ZINC000777713354 585718837 /nfs/dbraw/zinc/71/88/37/585718837.db2.gz PSAQWVXOYFLGBW-LBPRGKRZSA-N 1 2 243.272 3.386 20 0 BGADLO Cc1cnc([C@H](C)Nc2cc[nH+]c(C(C)C)n2)o1 ZINC000778602084 585737899 /nfs/dbraw/zinc/73/78/99/585737899.db2.gz YIYATSDJKNCHPL-JTQLQIEISA-N 1 2 246.314 3.070 20 0 BGADLO Cc1cnc([C@@H](C)Nc2cc[nH+]c(C(C)C)n2)o1 ZINC000778602097 585737941 /nfs/dbraw/zinc/73/79/41/585737941.db2.gz YIYATSDJKNCHPL-SNVBAGLBSA-N 1 2 246.314 3.070 20 0 BGADLO FCc1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000778959728 585743267 /nfs/dbraw/zinc/74/32/67/585743267.db2.gz BOSBQGUQUADJER-UHFFFAOYSA-N 1 2 223.266 3.215 20 0 BGADLO FCc1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000778959728 585743266 /nfs/dbraw/zinc/74/32/66/585743266.db2.gz BOSBQGUQUADJER-UHFFFAOYSA-N 1 2 223.266 3.215 20 0 BGADLO CC(C)[NH+](CC(F)(F)C(F)F)C(C)C ZINC000778960815 585743245 /nfs/dbraw/zinc/74/32/45/585743245.db2.gz LRLJCCJRZCBMRC-UHFFFAOYSA-N 1 2 215.234 3.006 20 0 BGADLO Clc1cc(C[N@@H+]2CC=CCC2)cc(Cl)n1 ZINC000778976439 585743517 /nfs/dbraw/zinc/74/35/17/585743517.db2.gz XNOMIQPKRNYVJO-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO Clc1cc(C[N@H+]2CC=CCC2)cc(Cl)n1 ZINC000778976439 585743516 /nfs/dbraw/zinc/74/35/16/585743516.db2.gz XNOMIQPKRNYVJO-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2C)s1 ZINC000779026421 585744157 /nfs/dbraw/zinc/74/41/57/585744157.db2.gz WIBQSARGGZJYSP-GXSJLCMTSA-N 1 2 249.383 3.500 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cn[nH]c2C)s1 ZINC000779026424 585744465 /nfs/dbraw/zinc/74/44/65/585744465.db2.gz WIBQSARGGZJYSP-KOLCDFICSA-N 1 2 249.383 3.500 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2C)s1 ZINC000779026425 585744437 /nfs/dbraw/zinc/74/44/37/585744437.db2.gz WIBQSARGGZJYSP-MWLCHTKSSA-N 1 2 249.383 3.500 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2C)s1 ZINC000779026430 585744372 /nfs/dbraw/zinc/74/43/72/585744372.db2.gz WIBQSARGGZJYSP-ONGXEEELSA-N 1 2 249.383 3.500 20 0 BGADLO Cc1[nH]ncc1[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC000779128775 585745615 /nfs/dbraw/zinc/74/56/15/585745615.db2.gz ATXXRQGWMAYXGX-GFCCVEGCSA-N 1 2 243.354 3.186 20 0 BGADLO Cc1[nH]ncc1[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC000779128783 585745424 /nfs/dbraw/zinc/74/54/24/585745424.db2.gz ATXXRQGWMAYXGX-LBPRGKRZSA-N 1 2 243.354 3.186 20 0 BGADLO CC[C@H](C)Oc1ccc([NH2+][C@H](C)CCO)cc1 ZINC000779416913 585754049 /nfs/dbraw/zinc/75/40/49/585754049.db2.gz IOLBKBMITKIYPJ-NEPJUHHUSA-N 1 2 237.343 3.047 20 0 BGADLO CC[C@@H](C)Oc1ccc([NH2+][C@@H](C)CCO)cc1 ZINC000779416914 585754157 /nfs/dbraw/zinc/75/41/57/585754157.db2.gz IOLBKBMITKIYPJ-NWDGAFQWSA-N 1 2 237.343 3.047 20 0 BGADLO CC[C@H](C)Oc1ccc([NH2+][C@@H](C)CCO)cc1 ZINC000779416915 585754164 /nfs/dbraw/zinc/75/41/64/585754164.db2.gz IOLBKBMITKIYPJ-RYUDHWBXSA-N 1 2 237.343 3.047 20 0 BGADLO CC[C@@H](C)Oc1ccc([NH2+][C@H](C)CCO)cc1 ZINC000779416916 585754255 /nfs/dbraw/zinc/75/42/55/585754255.db2.gz IOLBKBMITKIYPJ-VXGBXAGGSA-N 1 2 237.343 3.047 20 0 BGADLO C[C@H](CCO)[NH2+]c1ccc(OC2CCCC2)cc1 ZINC000779417416 585754491 /nfs/dbraw/zinc/75/44/91/585754491.db2.gz JTZZVLQHOVRKIB-GFCCVEGCSA-N 1 2 249.354 3.191 20 0 BGADLO C[C@@H](CCO)[NH2+]c1ccc(OC2CCCC2)cc1 ZINC000779417417 585754383 /nfs/dbraw/zinc/75/43/83/585754383.db2.gz JTZZVLQHOVRKIB-LBPRGKRZSA-N 1 2 249.354 3.191 20 0 BGADLO CC/C(C)=C(/C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000779934608 585770259 /nfs/dbraw/zinc/77/02/59/585770259.db2.gz CGCBZXGTZDNJIU-KHPPLWFESA-N 1 2 243.310 3.019 20 0 BGADLO CC/C(C)=C(\C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000779934609 585770253 /nfs/dbraw/zinc/77/02/53/585770253.db2.gz CGCBZXGTZDNJIU-ZHACJKMWSA-N 1 2 243.310 3.019 20 0 BGADLO CC/C(C)=C(/C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000779968069 585770952 /nfs/dbraw/zinc/77/09/52/585770952.db2.gz WAETVYJHBWTIIB-KHPPLWFESA-N 1 2 243.310 3.019 20 0 BGADLO CC/C(C)=C(\C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000779968070 585770808 /nfs/dbraw/zinc/77/08/08/585770808.db2.gz WAETVYJHBWTIIB-ZHACJKMWSA-N 1 2 243.310 3.019 20 0 BGADLO CC/C(C)=C(/C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000779982338 585771250 /nfs/dbraw/zinc/77/12/50/585771250.db2.gz CATAAGXSULPDTQ-LUAWRHEFSA-N 1 2 232.327 3.383 20 0 BGADLO CC/C(C)=C(\C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000779982340 585771235 /nfs/dbraw/zinc/77/12/35/585771235.db2.gz CATAAGXSULPDTQ-PKNBQFBNSA-N 1 2 232.327 3.383 20 0 BGADLO FC1(F)CC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780314463 585777547 /nfs/dbraw/zinc/77/75/47/585777547.db2.gz HQWYXQCXUPVAQA-GFCCVEGCSA-N 1 2 237.293 3.057 20 0 BGADLO FC1(F)CC[N@H+](C[C@H]2CCc3ccccc32)C1 ZINC000780314463 585777546 /nfs/dbraw/zinc/77/75/46/585777546.db2.gz HQWYXQCXUPVAQA-GFCCVEGCSA-N 1 2 237.293 3.057 20 0 BGADLO FC1(F)CC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780314471 585777603 /nfs/dbraw/zinc/77/76/03/585777603.db2.gz HQWYXQCXUPVAQA-LBPRGKRZSA-N 1 2 237.293 3.057 20 0 BGADLO FC1(F)CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000780314471 585777602 /nfs/dbraw/zinc/77/76/02/585777602.db2.gz HQWYXQCXUPVAQA-LBPRGKRZSA-N 1 2 237.293 3.057 20 0 BGADLO CCOc1ccc([NH2+][C@H](C)[C@@H]2CCCOC2)cc1 ZINC000780738393 585784176 /nfs/dbraw/zinc/78/41/76/585784176.db2.gz VDDMJJUHSGNQOP-CHWSQXEVSA-N 1 2 249.354 3.312 20 0 BGADLO CCOc1ccc([NH2+][C@H](C)[C@H]2CCCOC2)cc1 ZINC000780738394 585784074 /nfs/dbraw/zinc/78/40/74/585784074.db2.gz VDDMJJUHSGNQOP-OLZOCXBDSA-N 1 2 249.354 3.312 20 0 BGADLO CCOc1ccc([NH2+][C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000780738395 585784086 /nfs/dbraw/zinc/78/40/86/585784086.db2.gz VDDMJJUHSGNQOP-QWHCGFSZSA-N 1 2 249.354 3.312 20 0 BGADLO CCOc1ccc([NH2+][C@@H](C)[C@H]2CCCOC2)cc1 ZINC000780738396 585784240 /nfs/dbraw/zinc/78/42/40/585784240.db2.gz VDDMJJUHSGNQOP-STQMWFEESA-N 1 2 249.354 3.312 20 0 BGADLO COc1ccc([NH2+][C@H](C)[C@@H]2CCCOC2)c(C)c1 ZINC000780739132 585784161 /nfs/dbraw/zinc/78/41/61/585784161.db2.gz GHAXMGMIJHEQCJ-CHWSQXEVSA-N 1 2 249.354 3.231 20 0 BGADLO COc1ccc([NH2+][C@H](C)[C@H]2CCCOC2)c(C)c1 ZINC000780739136 585784191 /nfs/dbraw/zinc/78/41/91/585784191.db2.gz GHAXMGMIJHEQCJ-OLZOCXBDSA-N 1 2 249.354 3.231 20 0 BGADLO COc1ccc([NH2+][C@@H](C)[C@@H]2CCCOC2)c(C)c1 ZINC000780739137 585784256 /nfs/dbraw/zinc/78/42/56/585784256.db2.gz GHAXMGMIJHEQCJ-QWHCGFSZSA-N 1 2 249.354 3.231 20 0 BGADLO COc1ccc([NH2+][C@@H](C)[C@H]2CCCOC2)c(C)c1 ZINC000780739138 585784262 /nfs/dbraw/zinc/78/42/62/585784262.db2.gz GHAXMGMIJHEQCJ-STQMWFEESA-N 1 2 249.354 3.231 20 0 BGADLO Cc1ccc([N@H+](C)C[C@H]2CCO[C@@H](C)C2)cc1 ZINC000780766008 585784603 /nfs/dbraw/zinc/78/46/03/585784603.db2.gz BHBWWBMQJAMNMB-KBPBESRZSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@H]2CCO[C@@H](C)C2)cc1 ZINC000780766008 585784602 /nfs/dbraw/zinc/78/46/02/585784602.db2.gz BHBWWBMQJAMNMB-KBPBESRZSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc([N@H+](C)C[C@H]2CCO[C@H](C)C2)cc1 ZINC000780766009 585784631 /nfs/dbraw/zinc/78/46/31/585784631.db2.gz BHBWWBMQJAMNMB-KGLIPLIRSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@H]2CCO[C@H](C)C2)cc1 ZINC000780766009 585784630 /nfs/dbraw/zinc/78/46/30/585784630.db2.gz BHBWWBMQJAMNMB-KGLIPLIRSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc([N@H+](C)C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000780766012 585784761 /nfs/dbraw/zinc/78/47/61/585784761.db2.gz BHBWWBMQJAMNMB-UONOGXRCSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000780766012 585784760 /nfs/dbraw/zinc/78/47/60/585784760.db2.gz BHBWWBMQJAMNMB-UONOGXRCSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc([N@H+](C)C[C@@H]2CCO[C@H](C)C2)cc1 ZINC000780766015 585784693 /nfs/dbraw/zinc/78/46/93/585784693.db2.gz BHBWWBMQJAMNMB-ZIAGYGMSSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@@H]2CCO[C@H](C)C2)cc1 ZINC000780766015 585784692 /nfs/dbraw/zinc/78/46/92/585784692.db2.gz BHBWWBMQJAMNMB-ZIAGYGMSSA-N 1 2 233.355 3.246 20 0 BGADLO Cc1ccc(CNc2cc(F)cc[nH+]2)cc1F ZINC000780905913 585786033 /nfs/dbraw/zinc/78/60/33/585786033.db2.gz FOTVHLREAQUOCP-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO Cc1cc(CNc2cc(F)cc[nH+]2)ccc1F ZINC000780906369 585785968 /nfs/dbraw/zinc/78/59/68/585785968.db2.gz LKBZMKZGUAXHRV-UHFFFAOYSA-N 1 2 234.249 3.280 20 0 BGADLO NC(=[NH+]OCC1CCCCC1)c1ccccc1 ZINC000781609457 585800275 /nfs/dbraw/zinc/80/02/75/585800275.db2.gz CPASCHZJNBSRHV-UHFFFAOYSA-N 1 2 232.327 3.113 20 0 BGADLO CN(C)c1cc(CSCc2ccco2)cc[nH+]1 ZINC000782111697 585807973 /nfs/dbraw/zinc/80/79/73/585807973.db2.gz SHMYULAGRCZIGV-UHFFFAOYSA-N 1 2 248.351 3.174 20 0 BGADLO c1cc(CNc2c[nH+]c3c(c2)CCCC3)co1 ZINC000782216469 585812474 /nfs/dbraw/zinc/81/24/74/585812474.db2.gz CDVORTYIHBRWCB-UHFFFAOYSA-N 1 2 228.295 3.166 20 0 BGADLO Cc1ccc(COC(=O)C2=CCCCC2)c(C)[nH+]1 ZINC000782444794 585818170 /nfs/dbraw/zinc/81/81/70/585818170.db2.gz CGYNKHPXIKERKM-UHFFFAOYSA-N 1 2 245.322 3.242 20 0 BGADLO Cc1ccc(C[N@@H+](Cc2cnoc2C)C2CC2)o1 ZINC000782478646 585818587 /nfs/dbraw/zinc/81/85/87/585818587.db2.gz QZLXJGZOSNNMOQ-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1ccc(C[N@H+](Cc2cnoc2C)C2CC2)o1 ZINC000782478646 585818586 /nfs/dbraw/zinc/81/85/86/585818586.db2.gz QZLXJGZOSNNMOQ-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1oncc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000782507119 585819167 /nfs/dbraw/zinc/81/91/67/585819167.db2.gz HRTWXGODAKZAQL-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1oncc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000782507119 585819166 /nfs/dbraw/zinc/81/91/66/585819166.db2.gz HRTWXGODAKZAQL-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1oncc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000782507120 585819366 /nfs/dbraw/zinc/81/93/66/585819366.db2.gz HRTWXGODAKZAQL-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1oncc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000782507120 585819365 /nfs/dbraw/zinc/81/93/65/585819365.db2.gz HRTWXGODAKZAQL-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1[nH]ncc1C[NH2+]Cc1ccccc1C(C)C ZINC000782539545 585819878 /nfs/dbraw/zinc/81/98/78/585819878.db2.gz LIUFDTCKZNJUMM-UHFFFAOYSA-N 1 2 243.354 3.131 20 0 BGADLO CC(C)c1cnc(C[NH2+][C@H](C)c2cccnc2)o1 ZINC000782984102 582936035 /nfs/dbraw/zinc/93/60/35/582936035.db2.gz QNMPWCONXUHVEP-LLVKDONJSA-N 1 2 245.326 3.044 20 0 BGADLO CC(C)c1cnc(C[NH2+][C@@H](C)c2cccnc2)o1 ZINC000782984127 582936138 /nfs/dbraw/zinc/93/61/38/582936138.db2.gz QNMPWCONXUHVEP-NSHDSACASA-N 1 2 245.326 3.044 20 0 BGADLO CC(C)c1cnc(C[NH2+][C@H](C)c2ccccn2)o1 ZINC000782997553 585826952 /nfs/dbraw/zinc/82/69/52/585826952.db2.gz MHVJXIOLZPYYCJ-LLVKDONJSA-N 1 2 245.326 3.044 20 0 BGADLO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccccn2)o1 ZINC000782997555 585826907 /nfs/dbraw/zinc/82/69/07/585826907.db2.gz MHVJXIOLZPYYCJ-NSHDSACASA-N 1 2 245.326 3.044 20 0 BGADLO CCCCCO[NH+]=C(N)Cc1cccc(F)c1 ZINC000783151003 585828261 /nfs/dbraw/zinc/82/82/61/585828261.db2.gz HXDQEXIZQLABCK-UHFFFAOYSA-N 1 2 238.306 3.057 20 0 BGADLO C[C@@H]1CC[C@H]1[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000783275745 582955047 /nfs/dbraw/zinc/95/50/47/582955047.db2.gz KRXLXIUMVQIRRZ-BYCMXARLSA-N 1 2 247.338 3.065 20 0 BGADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000783275765 582955504 /nfs/dbraw/zinc/95/55/04/582955504.db2.gz KRXLXIUMVQIRRZ-DFBGVHRSSA-N 1 2 247.338 3.065 20 0 BGADLO C[C@@H]1CC[C@H]1[NH2+]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000783275768 582955012 /nfs/dbraw/zinc/95/50/12/582955012.db2.gz KRXLXIUMVQIRRZ-KCPJHIHWSA-N 1 2 247.338 3.065 20 0 BGADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc(O[C@H]2CCOC2)cc1 ZINC000783275775 582955241 /nfs/dbraw/zinc/95/52/41/582955241.db2.gz KRXLXIUMVQIRRZ-UGFHNGPFSA-N 1 2 247.338 3.065 20 0 BGADLO C[C@H]1CC[C@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000783278217 644752579 /nfs/dbraw/zinc/75/25/79/644752579.db2.gz VFVQGJQFSWJINL-GXTWGEPZSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@H]1CC[C@@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000783278218 644752213 /nfs/dbraw/zinc/75/22/13/644752213.db2.gz VFVQGJQFSWJINL-JSGCOSHPSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H]1CC[C@@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000783278219 644753064 /nfs/dbraw/zinc/75/30/64/644753064.db2.gz VFVQGJQFSWJINL-OCCSQVGLSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H]1CC[C@H]1Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000783278222 644752700 /nfs/dbraw/zinc/75/27/00/644752700.db2.gz VFVQGJQFSWJINL-TZMCWYRMSA-N 1 2 245.370 3.282 20 0 BGADLO C[C@@H]1CC[C@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000783278657 644752746 /nfs/dbraw/zinc/75/27/46/644752746.db2.gz AVLPYAGBTSMGDY-BXUZGUMPSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@@H]1CC[C@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000783278657 644752740 /nfs/dbraw/zinc/75/27/40/644752740.db2.gz AVLPYAGBTSMGDY-BXUZGUMPSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCCN2C ZINC000783278657 644752732 /nfs/dbraw/zinc/75/27/32/644752732.db2.gz AVLPYAGBTSMGDY-BXUZGUMPSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@H]1CC[C@@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000783278659 644752931 /nfs/dbraw/zinc/75/29/31/644752931.db2.gz AVLPYAGBTSMGDY-FZMZJTMJSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@H]1CC[C@@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000783278659 644752928 /nfs/dbraw/zinc/75/29/28/644752928.db2.gz AVLPYAGBTSMGDY-FZMZJTMJSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCCN2C ZINC000783278659 644752924 /nfs/dbraw/zinc/75/29/24/644752924.db2.gz AVLPYAGBTSMGDY-FZMZJTMJSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@@H]1CC[C@@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000783278660 644752433 /nfs/dbraw/zinc/75/24/33/644752433.db2.gz AVLPYAGBTSMGDY-RISCZKNCSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@@H]1CC[C@@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000783278660 644752426 /nfs/dbraw/zinc/75/24/26/644752426.db2.gz AVLPYAGBTSMGDY-RISCZKNCSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCCN2C ZINC000783278660 644752421 /nfs/dbraw/zinc/75/24/21/644752421.db2.gz AVLPYAGBTSMGDY-RISCZKNCSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@H]1CC[C@H]1Nc1ccc2c(c1)CCC[N@@H+]2C ZINC000783278666 644753014 /nfs/dbraw/zinc/75/30/14/644753014.db2.gz AVLPYAGBTSMGDY-SMDDNHRTSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@H]1CC[C@H]1Nc1ccc2c(c1)CCC[N@H+]2C ZINC000783278666 644753008 /nfs/dbraw/zinc/75/30/08/644753008.db2.gz AVLPYAGBTSMGDY-SMDDNHRTSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCCN2C ZINC000783278666 644753004 /nfs/dbraw/zinc/75/30/04/644753004.db2.gz AVLPYAGBTSMGDY-SMDDNHRTSA-N 1 2 230.355 3.279 20 0 BGADLO C[C@H]1CC[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000783281673 644752992 /nfs/dbraw/zinc/75/29/92/644752992.db2.gz ACYWFXCJSRIGQM-GWCFXTLKSA-N 1 2 245.301 3.222 20 0 BGADLO C[C@H]1CC[C@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000783281675 644752174 /nfs/dbraw/zinc/75/21/74/644752174.db2.gz ACYWFXCJSRIGQM-GXFFZTMASA-N 1 2 245.301 3.222 20 0 BGADLO C[C@@H]1CC[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000783281677 644752665 /nfs/dbraw/zinc/75/26/65/644752665.db2.gz ACYWFXCJSRIGQM-MFKMUULPSA-N 1 2 245.301 3.222 20 0 BGADLO C[C@@H]1CC[C@H]1Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000783281679 582955202 /nfs/dbraw/zinc/95/52/02/582955202.db2.gz ACYWFXCJSRIGQM-ZWNOBZJWSA-N 1 2 245.301 3.222 20 0 BGADLO C[C@@H]1CC[C@H]1[NH2+]c1ccc(OCC(C)(C)O)cc1 ZINC000783288615 585833069 /nfs/dbraw/zinc/83/30/69/585833069.db2.gz XMZYCVJKUDCNGX-BXUZGUMPSA-N 1 2 249.354 3.047 20 0 BGADLO C[C@H]1CC[C@@H]1[NH2+]c1ccc(OCC(C)(C)O)cc1 ZINC000783288616 585833038 /nfs/dbraw/zinc/83/30/38/585833038.db2.gz XMZYCVJKUDCNGX-FZMZJTMJSA-N 1 2 249.354 3.047 20 0 BGADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc(OCC(C)(C)O)cc1 ZINC000783288617 585833091 /nfs/dbraw/zinc/83/30/91/585833091.db2.gz XMZYCVJKUDCNGX-RISCZKNCSA-N 1 2 249.354 3.047 20 0 BGADLO C[C@H]1CC[C@H]1[NH2+]c1ccc(OCC(C)(C)O)cc1 ZINC000783288618 585833137 /nfs/dbraw/zinc/83/31/37/585833137.db2.gz XMZYCVJKUDCNGX-SMDDNHRTSA-N 1 2 249.354 3.047 20 0 BGADLO NC(=[NH+]OCCC1CCCC1)c1ccccc1 ZINC000783550812 585836447 /nfs/dbraw/zinc/83/64/47/585836447.db2.gz UHCHYDHXUBKFDF-UHFFFAOYSA-N 1 2 232.327 3.113 20 0 BGADLO CCCCCCO[NH+]=C(N)c1ccccc1 ZINC000783550993 585836718 /nfs/dbraw/zinc/83/67/18/585836718.db2.gz ZIMJRFTWECNNGD-UHFFFAOYSA-N 1 2 220.316 3.113 20 0 BGADLO Clc1cc(-c2[nH+]ccn2CCC2CC2)ccn1 ZINC000783554416 585836712 /nfs/dbraw/zinc/83/67/12/585836712.db2.gz BTVAWPTXMLXBEW-UHFFFAOYSA-N 1 2 247.729 3.399 20 0 BGADLO CC(C)(C)CCO[NH+]=C(N)c1cccc(F)c1 ZINC000783555245 585836600 /nfs/dbraw/zinc/83/66/00/585836600.db2.gz ULYMXZVTIQWNHV-UHFFFAOYSA-N 1 2 238.306 3.108 20 0 BGADLO CC(C)(C)CCO[NH+]=C(N)Cc1cccs1 ZINC000783558536 585836840 /nfs/dbraw/zinc/83/68/40/585836840.db2.gz RTFWLFUDSSAYFW-UHFFFAOYSA-N 1 2 240.372 3.225 20 0 BGADLO CCCCCCO[NH+]=C(N)[C@@H](C)OCC(C)C ZINC000783559586 585836848 /nfs/dbraw/zinc/83/68/48/585836848.db2.gz NVAXYAJXGURMMD-GFCCVEGCSA-N 1 2 244.379 3.126 20 0 BGADLO CCCCCCO[NH+]=C(N)[C@H](C)OCC(C)C ZINC000783559587 585837013 /nfs/dbraw/zinc/83/70/13/585837013.db2.gz NVAXYAJXGURMMD-LBPRGKRZSA-N 1 2 244.379 3.126 20 0 BGADLO c1cc(O[C@H]2CCOC2)ccc1[NH2+]CCC1CC1 ZINC000783567611 585837307 /nfs/dbraw/zinc/83/73/07/585837307.db2.gz UUELYNDOYQONBL-HNNXBMFYSA-N 1 2 247.338 3.066 20 0 BGADLO c1cc(O[C@@H]2CCOC2)ccc1[NH2+]CCC1CC1 ZINC000783567612 585837155 /nfs/dbraw/zinc/83/71/55/585837155.db2.gz UUELYNDOYQONBL-OAHLLOKOSA-N 1 2 247.338 3.066 20 0 BGADLO CCOc1ccc([NH2+]CC[C@@H]2CCOC2)c(C)c1 ZINC000783576920 585837376 /nfs/dbraw/zinc/83/73/76/585837376.db2.gz RLILGDILCHBOTM-CYBMUJFWSA-N 1 2 249.354 3.232 20 0 BGADLO CCOc1ccc([NH2+]CC[C@H]2CCOC2)c(C)c1 ZINC000783576930 585837073 /nfs/dbraw/zinc/83/70/73/585837073.db2.gz RLILGDILCHBOTM-ZDUSSCGKSA-N 1 2 249.354 3.232 20 0 BGADLO C[C@@H]1CC[C@H]1Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000783581749 585837591 /nfs/dbraw/zinc/83/75/91/585837591.db2.gz FJLUWLFAPPOWRC-BXUZGUMPSA-N 1 2 241.338 3.298 20 0 BGADLO C[C@H]1CC[C@@H]1Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000783581750 585837513 /nfs/dbraw/zinc/83/75/13/585837513.db2.gz FJLUWLFAPPOWRC-FZMZJTMJSA-N 1 2 241.338 3.298 20 0 BGADLO C[C@@H]1CC[C@@H]1Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000783581751 585837576 /nfs/dbraw/zinc/83/75/76/585837576.db2.gz FJLUWLFAPPOWRC-RISCZKNCSA-N 1 2 241.338 3.298 20 0 BGADLO COc1ccc([NH2+]CCCC(C)C)cc1CO ZINC000783585086 582959484 /nfs/dbraw/zinc/95/94/84/582959484.db2.gz IWJFDHMCOJGSGM-UHFFFAOYSA-N 1 2 237.343 3.036 20 0 BGADLO CC(C)CCC[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000783653558 585839516 /nfs/dbraw/zinc/83/95/16/585839516.db2.gz BELXJRYRGFVPOL-UHFFFAOYSA-N 1 2 248.370 3.363 20 0 BGADLO COC[C@H](C)C[NH2+]c1ccc2c(c1)CC(C)(C)O2 ZINC000783654342 585839704 /nfs/dbraw/zinc/83/97/04/585839704.db2.gz VTIJTWSIZCXFSZ-LLVKDONJSA-N 1 2 249.354 3.095 20 0 BGADLO COC[C@@H](C)C[NH2+]c1ccc2c(c1)CC(C)(C)O2 ZINC000783654343 585839687 /nfs/dbraw/zinc/83/96/87/585839687.db2.gz VTIJTWSIZCXFSZ-NSHDSACASA-N 1 2 249.354 3.095 20 0 BGADLO CN1CCOc2ccc([NH2+]CCC(C)(C)C)cc21 ZINC000783654558 585839550 /nfs/dbraw/zinc/83/95/50/585839550.db2.gz YYUKKRBTTIXQAO-UHFFFAOYSA-N 1 2 248.370 3.363 20 0 BGADLO COC[C@@H](C)C[N@@H+](C)c1ccc(C)cc1C ZINC000783663933 585839592 /nfs/dbraw/zinc/83/95/92/585839592.db2.gz GPTAZNRXAJGXDH-LBPRGKRZSA-N 1 2 221.344 3.022 20 0 BGADLO COC[C@@H](C)C[N@H+](C)c1ccc(C)cc1C ZINC000783663933 585839591 /nfs/dbraw/zinc/83/95/91/585839591.db2.gz GPTAZNRXAJGXDH-LBPRGKRZSA-N 1 2 221.344 3.022 20 0 BGADLO COC[C@H](C)C[N@H+]1CCCc2cc(C)ccc21 ZINC000783665394 585839488 /nfs/dbraw/zinc/83/94/88/585839488.db2.gz ULAUMYYLHLQUTA-CYBMUJFWSA-N 1 2 233.355 3.030 20 0 BGADLO COC[C@H](C)C[N@@H+]1CCCc2cc(C)ccc21 ZINC000783665394 585839487 /nfs/dbraw/zinc/83/94/87/585839487.db2.gz ULAUMYYLHLQUTA-CYBMUJFWSA-N 1 2 233.355 3.030 20 0 BGADLO CC(C)CCC[NH2+]c1ccc(OC2COC2)cc1 ZINC000783719912 585840714 /nfs/dbraw/zinc/84/07/14/585840714.db2.gz SAISGVDGYFHKPG-UHFFFAOYSA-N 1 2 249.354 3.312 20 0 BGADLO CC(C)c1nc(NC23CCC(CC2)C3)cc[nH+]1 ZINC000784204151 585852847 /nfs/dbraw/zinc/85/28/47/585852847.db2.gz KRFBTCJTTCKMNX-UHFFFAOYSA-N 1 2 231.343 3.345 20 0 BGADLO c1cc(NC23CCC(CC2)C3)nc(C2CC2)[nH+]1 ZINC000784204434 585852806 /nfs/dbraw/zinc/85/28/06/585852806.db2.gz KFZNFCKCVCKWNN-UHFFFAOYSA-N 1 2 229.327 3.099 20 0 BGADLO Cc1cc(NC23CCC(CC2)C3)nc(C2CC2)[nH+]1 ZINC000784205592 585852873 /nfs/dbraw/zinc/85/28/73/585852873.db2.gz SWAMTADJPIAHNO-UHFFFAOYSA-N 1 2 243.354 3.407 20 0 BGADLO Cc1nc2[nH]ccc2c(NC23CCC(CC2)C3)[nH+]1 ZINC000784207257 585852758 /nfs/dbraw/zinc/85/27/58/585852758.db2.gz XBTWADHIOVOMSX-UHFFFAOYSA-N 1 2 242.326 3.011 20 0 BGADLO FC1=CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000784259388 585853659 /nfs/dbraw/zinc/85/36/59/585853659.db2.gz UTAUADBTHNPHHU-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO FC1=CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC000784259388 585853658 /nfs/dbraw/zinc/85/36/58/585853658.db2.gz UTAUADBTHNPHHU-UHFFFAOYSA-N 1 2 242.297 3.294 20 0 BGADLO Cc1ccc(COC(=O)C(C)(C)C(C)C)c(C)[nH+]1 ZINC000784326462 585855977 /nfs/dbraw/zinc/85/59/77/585855977.db2.gz YCXZTZROKYNHQV-UHFFFAOYSA-N 1 2 249.354 3.424 20 0 BGADLO C[C@H]1C[N@@H+](CC(F)(F)C(F)F)CC(C)(C)C1 ZINC000784348976 585856313 /nfs/dbraw/zinc/85/63/13/585856313.db2.gz ARPDXZOEMNMLTF-MRVPVSSYSA-N 1 2 241.272 3.255 20 0 BGADLO C[C@H]1C[N@H+](CC(F)(F)C(F)F)CC(C)(C)C1 ZINC000784348976 585856312 /nfs/dbraw/zinc/85/63/12/585856312.db2.gz ARPDXZOEMNMLTF-MRVPVSSYSA-N 1 2 241.272 3.255 20 0 BGADLO C[C@@H]1C[N@@H+](CC(F)(F)C(F)F)CC(C)(C)C1 ZINC000784348980 585856406 /nfs/dbraw/zinc/85/64/06/585856406.db2.gz ARPDXZOEMNMLTF-QMMMGPOBSA-N 1 2 241.272 3.255 20 0 BGADLO C[C@@H]1C[N@H+](CC(F)(F)C(F)F)CC(C)(C)C1 ZINC000784348980 585856405 /nfs/dbraw/zinc/85/64/05/585856405.db2.gz ARPDXZOEMNMLTF-QMMMGPOBSA-N 1 2 241.272 3.255 20 0 BGADLO C[N@@H+](C[C@@H]1CC=CCC1)CC(F)(F)C(F)F ZINC000784395441 585858606 /nfs/dbraw/zinc/85/86/06/585858606.db2.gz YLGADSLUCBPWDL-SECBINFHSA-N 1 2 239.256 3.175 20 0 BGADLO C[N@H+](C[C@@H]1CC=CCC1)CC(F)(F)C(F)F ZINC000784395441 585858605 /nfs/dbraw/zinc/85/86/05/585858605.db2.gz YLGADSLUCBPWDL-SECBINFHSA-N 1 2 239.256 3.175 20 0 BGADLO C[N@@H+](C[C@H]1CC=CCC1)CC(F)(F)C(F)F ZINC000784395442 585858460 /nfs/dbraw/zinc/85/84/60/585858460.db2.gz YLGADSLUCBPWDL-VIFPVBQESA-N 1 2 239.256 3.175 20 0 BGADLO C[N@H+](C[C@H]1CC=CCC1)CC(F)(F)C(F)F ZINC000784395442 585858459 /nfs/dbraw/zinc/85/84/59/585858459.db2.gz YLGADSLUCBPWDL-VIFPVBQESA-N 1 2 239.256 3.175 20 0 BGADLO CC(C)(C)[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000784514751 585862005 /nfs/dbraw/zinc/86/20/05/585862005.db2.gz INMQCMDAYBTQJB-MRVPVSSYSA-N 1 2 241.272 3.255 20 0 BGADLO CC(C)(C)[C@@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000784514751 585862004 /nfs/dbraw/zinc/86/20/04/585862004.db2.gz INMQCMDAYBTQJB-MRVPVSSYSA-N 1 2 241.272 3.255 20 0 BGADLO CC(C)(C)[C@H]1CC[N@@H+](CC(F)(F)C(F)F)C1 ZINC000784514765 585862062 /nfs/dbraw/zinc/86/20/62/585862062.db2.gz INMQCMDAYBTQJB-QMMMGPOBSA-N 1 2 241.272 3.255 20 0 BGADLO CC(C)(C)[C@H]1CC[N@H+](CC(F)(F)C(F)F)C1 ZINC000784514765 585862061 /nfs/dbraw/zinc/86/20/61/585862061.db2.gz INMQCMDAYBTQJB-QMMMGPOBSA-N 1 2 241.272 3.255 20 0 BGADLO CC1(C[NH2+]c2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000785474072 585874215 /nfs/dbraw/zinc/87/42/15/585874215.db2.gz IVZYZIUATLRDRA-AWEZNQCLSA-N 1 2 247.338 3.066 20 0 BGADLO CC1(C[NH2+]c2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000785474073 585874360 /nfs/dbraw/zinc/87/43/60/585874360.db2.gz IVZYZIUATLRDRA-CQSZACIVSA-N 1 2 247.338 3.066 20 0 BGADLO COc1ccc([NH2+][C@@H](C)[C@@H]2CC2(C)C)cc1CO ZINC000785490988 585874657 /nfs/dbraw/zinc/87/46/57/585874657.db2.gz CUGFNKPGHMNTFC-GWCFXTLKSA-N 1 2 249.354 3.034 20 0 BGADLO COc1ccc([NH2+][C@@H](C)[C@H]2CC2(C)C)cc1CO ZINC000785490989 585874563 /nfs/dbraw/zinc/87/45/63/585874563.db2.gz CUGFNKPGHMNTFC-GXFFZTMASA-N 1 2 249.354 3.034 20 0 BGADLO COc1ccc([NH2+][C@H](C)[C@@H]2CC2(C)C)cc1CO ZINC000785490990 585874492 /nfs/dbraw/zinc/87/44/92/585874492.db2.gz CUGFNKPGHMNTFC-MFKMUULPSA-N 1 2 249.354 3.034 20 0 BGADLO COc1ccc([NH2+][C@H](C)[C@H]2CC2(C)C)cc1CO ZINC000785490991 585874479 /nfs/dbraw/zinc/87/44/79/585874479.db2.gz CUGFNKPGHMNTFC-ZWNOBZJWSA-N 1 2 249.354 3.034 20 0 BGADLO C[N@H+]1CCCc2cc(NCC3(C)CC3)ccc21 ZINC000785491773 585874541 /nfs/dbraw/zinc/87/45/41/585874541.db2.gz XLQSRAJEKWHBLN-UHFFFAOYSA-N 1 2 230.355 3.281 20 0 BGADLO C[N@@H+]1CCCc2cc(NCC3(C)CC3)ccc21 ZINC000785491773 585874540 /nfs/dbraw/zinc/87/45/40/585874540.db2.gz XLQSRAJEKWHBLN-UHFFFAOYSA-N 1 2 230.355 3.281 20 0 BGADLO CC(C)(O)COc1ccc([NH2+]CC2(C)CC2)cc1 ZINC000785495385 585874449 /nfs/dbraw/zinc/87/44/49/585874449.db2.gz HEWHDRJODJYRLY-UHFFFAOYSA-N 1 2 249.354 3.048 20 0 BGADLO C[N@@H+](CC(F)(F)C(F)F)C1(C)CCCC1 ZINC000786216573 585888601 /nfs/dbraw/zinc/88/86/01/585888601.db2.gz BPASPSOMVGUJDV-UHFFFAOYSA-N 1 2 227.245 3.151 20 0 BGADLO C[N@H+](CC(F)(F)C(F)F)C1(C)CCCC1 ZINC000786216573 585888600 /nfs/dbraw/zinc/88/86/00/585888600.db2.gz BPASPSOMVGUJDV-UHFFFAOYSA-N 1 2 227.245 3.151 20 0 BGADLO Cc1ccc([N@@H+](C)CC[C@@H]2CCCO2)c(C)c1 ZINC000787184513 585902428 /nfs/dbraw/zinc/90/24/28/585902428.db2.gz SQPVKQJQFCUGOH-AWEZNQCLSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1ccc([N@H+](C)CC[C@@H]2CCCO2)c(C)c1 ZINC000787184513 585902427 /nfs/dbraw/zinc/90/24/27/585902427.db2.gz SQPVKQJQFCUGOH-AWEZNQCLSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1ccc([N@@H+](C)CC[C@H]2CCCO2)c(C)c1 ZINC000787184516 585902684 /nfs/dbraw/zinc/90/26/84/585902684.db2.gz SQPVKQJQFCUGOH-CQSZACIVSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1ccc([N@H+](C)CC[C@H]2CCCO2)c(C)c1 ZINC000787184516 585902683 /nfs/dbraw/zinc/90/26/83/585902683.db2.gz SQPVKQJQFCUGOH-CQSZACIVSA-N 1 2 233.355 3.309 20 0 BGADLO COCCOc1ccc([NH2+]CC2(C)CC2)c(C)c1 ZINC000787209032 585903298 /nfs/dbraw/zinc/90/32/98/585903298.db2.gz OQMITLQZWVTOSD-UHFFFAOYSA-N 1 2 249.354 3.232 20 0 BGADLO CC[N@@H+](CC[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000787260452 585904064 /nfs/dbraw/zinc/90/40/64/585904064.db2.gz HZHOWMWQDMFQBM-HNNXBMFYSA-N 1 2 233.355 3.390 20 0 BGADLO CC[N@H+](CC[C@@H]1CCCO1)c1ccc(C)cc1 ZINC000787260452 585904063 /nfs/dbraw/zinc/90/40/63/585904063.db2.gz HZHOWMWQDMFQBM-HNNXBMFYSA-N 1 2 233.355 3.390 20 0 BGADLO CC[N@@H+](CC[C@H]1CCCO1)c1ccc(C)cc1 ZINC000787260458 585904016 /nfs/dbraw/zinc/90/40/16/585904016.db2.gz HZHOWMWQDMFQBM-OAHLLOKOSA-N 1 2 233.355 3.390 20 0 BGADLO CC[N@H+](CC[C@H]1CCCO1)c1ccc(C)cc1 ZINC000787260458 585904015 /nfs/dbraw/zinc/90/40/15/585904015.db2.gz HZHOWMWQDMFQBM-OAHLLOKOSA-N 1 2 233.355 3.390 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@H]2CCSC2)c(C)c1 ZINC000787274002 585904520 /nfs/dbraw/zinc/90/45/20/585904520.db2.gz WYMSJDKYORNBSQ-CYBMUJFWSA-N 1 2 235.396 3.493 20 0 BGADLO Cc1ccc([N@H+](C)C[C@H]2CCSC2)c(C)c1 ZINC000787274002 585904519 /nfs/dbraw/zinc/90/45/19/585904519.db2.gz WYMSJDKYORNBSQ-CYBMUJFWSA-N 1 2 235.396 3.493 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@@H]2CCSC2)c(C)c1 ZINC000787274012 585904545 /nfs/dbraw/zinc/90/45/45/585904545.db2.gz WYMSJDKYORNBSQ-ZDUSSCGKSA-N 1 2 235.396 3.493 20 0 BGADLO Cc1ccc([N@H+](C)C[C@@H]2CCSC2)c(C)c1 ZINC000787274012 585904544 /nfs/dbraw/zinc/90/45/44/585904544.db2.gz WYMSJDKYORNBSQ-ZDUSSCGKSA-N 1 2 235.396 3.493 20 0 BGADLO Cc1cc(CN(C)Cc2[nH]cc[nH+]2)ccc1Cl ZINC000787769757 585915694 /nfs/dbraw/zinc/91/56/94/585915694.db2.gz IGRMKPHKOHLFGU-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2ncc[nH]2)ccc1Cl ZINC000787769757 585915693 /nfs/dbraw/zinc/91/56/93/585915693.db2.gz IGRMKPHKOHLFGU-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2ncc[nH]2)ccc1Cl ZINC000787769757 585915692 /nfs/dbraw/zinc/91/56/92/585915692.db2.gz IGRMKPHKOHLFGU-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO C1=C(C2CCCCCC2)N2CC[NH+]=C2S1 ZINC000788355274 585922264 /nfs/dbraw/zinc/92/22/64/585922264.db2.gz PWRFDLPKOXBXJB-UHFFFAOYSA-N 1 2 222.357 3.217 20 0 BGADLO CN1CCOc2ccc([NH2+]C3CC(C)(C)C3)cc21 ZINC000788595590 585927480 /nfs/dbraw/zinc/92/74/80/585927480.db2.gz MAJXGRQRXAGNIT-UHFFFAOYSA-N 1 2 246.354 3.116 20 0 BGADLO CC1(C)CC([NH2+]c2ccc(OC3COC3)cc2)C1 ZINC000788601854 585927845 /nfs/dbraw/zinc/92/78/45/585927845.db2.gz SXNJTXLDVJWTMJ-UHFFFAOYSA-N 1 2 247.338 3.065 20 0 BGADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@]1(C)CCCO1 ZINC000788720867 585929482 /nfs/dbraw/zinc/92/94/82/585929482.db2.gz WTEIMDZIOVAOSK-DOMZBBRYSA-N 1 2 248.370 3.122 20 0 BGADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)[C@@]1(C)CCCO1 ZINC000788720868 585929511 /nfs/dbraw/zinc/92/95/11/585929511.db2.gz WTEIMDZIOVAOSK-IUODEOHRSA-N 1 2 248.370 3.122 20 0 BGADLO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@@]1(C)CCCO1 ZINC000788720869 585929661 /nfs/dbraw/zinc/92/96/61/585929661.db2.gz WTEIMDZIOVAOSK-SWLSCSKDSA-N 1 2 248.370 3.122 20 0 BGADLO C[C@H](Nc1ccc([NH+](C)C)cc1)[C@]1(C)CCCO1 ZINC000788720870 585929487 /nfs/dbraw/zinc/92/94/87/585929487.db2.gz WTEIMDZIOVAOSK-WFASDCNBSA-N 1 2 248.370 3.122 20 0 BGADLO COc1ccc([NH2+][C@@H]2CC=C(C)CC2)cc1CO ZINC000788730181 585068102 /nfs/dbraw/zinc/06/81/02/585068102.db2.gz XYQZWORDDXHZIQ-CYBMUJFWSA-N 1 2 247.338 3.098 20 0 BGADLO COc1ccc([NH2+][C@H]2CC=C(C)CC2)cc1CO ZINC000788730182 585069638 /nfs/dbraw/zinc/06/96/38/585069638.db2.gz XYQZWORDDXHZIQ-ZDUSSCGKSA-N 1 2 247.338 3.098 20 0 BGADLO Clc1ccc(-c2cn3c([nH+]2)CCC3)s1 ZINC000788866067 585931357 /nfs/dbraw/zinc/93/13/57/585931357.db2.gz AXKYLSXNYKIAGO-UHFFFAOYSA-N 1 2 224.716 3.211 20 0 BGADLO Cc1ccc(-c2cn3c([nH+]2)CCC3)c(C)c1 ZINC000788866122 585931422 /nfs/dbraw/zinc/93/14/22/585931422.db2.gz CZBVCQIVWYLMRD-UHFFFAOYSA-N 1 2 212.296 3.113 20 0 BGADLO Cc1ccc(C)c(-c2cn3c([nH+]2)CCC3)c1 ZINC000788866918 585931745 /nfs/dbraw/zinc/93/17/45/585931745.db2.gz JMEFOZZSTMJSME-UHFFFAOYSA-N 1 2 212.296 3.113 20 0 BGADLO CCCc1ccc(-c2cn3c([nH+]2)CCC3)cc1 ZINC000788866936 585931603 /nfs/dbraw/zinc/93/16/03/585931603.db2.gz JQJWHYUOJSHZMU-UHFFFAOYSA-N 1 2 226.323 3.449 20 0 BGADLO Clc1ccccc1-c1cn2c([nH+]1)CCC2 ZINC000788866942 585931595 /nfs/dbraw/zinc/93/15/95/585931595.db2.gz JVFRRBZHZYILOC-UHFFFAOYSA-N 1 2 218.687 3.150 20 0 BGADLO c1c(-c2ccc3c(c2)CCCC3)[nH+]c2n1CCC2 ZINC000788867189 585931633 /nfs/dbraw/zinc/93/16/33/585931633.db2.gz MOFJIAJMWGNFOW-UHFFFAOYSA-N 1 2 238.334 3.375 20 0 BGADLO Clc1cccc(-c2cn3c([nH+]2)CCC3)c1 ZINC000788867235 585931575 /nfs/dbraw/zinc/93/15/75/585931575.db2.gz NKIAMLBMKOKDCR-UHFFFAOYSA-N 1 2 218.687 3.150 20 0 BGADLO Cc1ccc(-c2cn3c([nH+]2)CCC3)cc1C ZINC000788867545 585931545 /nfs/dbraw/zinc/93/15/45/585931545.db2.gz OGKKWNFQHLSFIH-UHFFFAOYSA-N 1 2 212.296 3.113 20 0 BGADLO CCc1ccc(-c2cn3c([nH+]2)CCC3)cc1 ZINC000788867786 585931711 /nfs/dbraw/zinc/93/17/11/585931711.db2.gz SRUDKAMYCRZLLF-UHFFFAOYSA-N 1 2 212.296 3.059 20 0 BGADLO C/C=C(\CC)C(=O)OCc1ccc(C)[nH+]c1C ZINC000789231189 585937549 /nfs/dbraw/zinc/93/75/49/585937549.db2.gz IHABNDWCBQZPNP-LFYBBSHMSA-N 1 2 233.311 3.098 20 0 BGADLO C/C=C(/CC)C(=O)OCc1ccc(C)[nH+]c1C ZINC000789231190 585937494 /nfs/dbraw/zinc/93/74/94/585937494.db2.gz IHABNDWCBQZPNP-XGICHPGQSA-N 1 2 233.311 3.098 20 0 BGADLO CC(C)c1ccc([N@H+](C)CCC[C@@H](C)O)cc1 ZINC000789329297 585939895 /nfs/dbraw/zinc/93/98/95/585939895.db2.gz CHMPYBASVDTEJY-CYBMUJFWSA-N 1 2 235.371 3.407 20 0 BGADLO CC(C)c1ccc([N@@H+](C)CCC[C@@H](C)O)cc1 ZINC000789329297 585939894 /nfs/dbraw/zinc/93/98/94/585939894.db2.gz CHMPYBASVDTEJY-CYBMUJFWSA-N 1 2 235.371 3.407 20 0 BGADLO CC(C)c1ccc([N@H+](C)CCC[C@H](C)O)cc1 ZINC000789329299 585939753 /nfs/dbraw/zinc/93/97/53/585939753.db2.gz CHMPYBASVDTEJY-ZDUSSCGKSA-N 1 2 235.371 3.407 20 0 BGADLO CC(C)c1ccc([N@@H+](C)CCC[C@H](C)O)cc1 ZINC000789329299 585939752 /nfs/dbraw/zinc/93/97/52/585939752.db2.gz CHMPYBASVDTEJY-ZDUSSCGKSA-N 1 2 235.371 3.407 20 0 BGADLO CC[N@@H+](CCC[C@H](C)O)c1ccc(C)cc1C ZINC000789335790 585940089 /nfs/dbraw/zinc/94/00/89/585940089.db2.gz LZQZGXYDDFUWRY-AWEZNQCLSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC[C@H](C)O)c1ccc(C)cc1C ZINC000789335790 585940088 /nfs/dbraw/zinc/94/00/88/585940088.db2.gz LZQZGXYDDFUWRY-AWEZNQCLSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@@H+](CCC[C@@H](C)O)c1ccc(C)cc1C ZINC000789335792 585940014 /nfs/dbraw/zinc/94/00/14/585940014.db2.gz LZQZGXYDDFUWRY-CQSZACIVSA-N 1 2 235.371 3.291 20 0 BGADLO CC[N@H+](CCC[C@@H](C)O)c1ccc(C)cc1C ZINC000789335792 585940013 /nfs/dbraw/zinc/94/00/13/585940013.db2.gz LZQZGXYDDFUWRY-CQSZACIVSA-N 1 2 235.371 3.291 20 0 BGADLO Cc1ccc([N@@H+](CCC[C@H](C)O)C(C)C)cc1 ZINC000789343539 585940549 /nfs/dbraw/zinc/94/05/49/585940549.db2.gz LZTHEIMIYAGMAS-AWEZNQCLSA-N 1 2 235.371 3.371 20 0 BGADLO Cc1ccc([N@H+](CCC[C@H](C)O)C(C)C)cc1 ZINC000789343539 585940548 /nfs/dbraw/zinc/94/05/48/585940548.db2.gz LZTHEIMIYAGMAS-AWEZNQCLSA-N 1 2 235.371 3.371 20 0 BGADLO Cc1ccc([N@@H+](CCC[C@@H](C)O)C(C)C)cc1 ZINC000789343541 585940664 /nfs/dbraw/zinc/94/06/64/585940664.db2.gz LZTHEIMIYAGMAS-CQSZACIVSA-N 1 2 235.371 3.371 20 0 BGADLO Cc1ccc([N@H+](CCC[C@@H](C)O)C(C)C)cc1 ZINC000789343541 585940663 /nfs/dbraw/zinc/94/06/63/585940663.db2.gz LZTHEIMIYAGMAS-CQSZACIVSA-N 1 2 235.371 3.371 20 0 BGADLO CCc1ccc([N@@H+](CC)CCC[C@@H](C)O)cc1 ZINC000789343584 585940635 /nfs/dbraw/zinc/94/06/35/585940635.db2.gz GOPPKTQUVVNPQN-CYBMUJFWSA-N 1 2 235.371 3.236 20 0 BGADLO CCc1ccc([N@H+](CC)CCC[C@@H](C)O)cc1 ZINC000789343584 585940634 /nfs/dbraw/zinc/94/06/34/585940634.db2.gz GOPPKTQUVVNPQN-CYBMUJFWSA-N 1 2 235.371 3.236 20 0 BGADLO CCc1ccc([N@@H+](CC)CCC[C@H](C)O)cc1 ZINC000789343587 585940444 /nfs/dbraw/zinc/94/04/44/585940444.db2.gz GOPPKTQUVVNPQN-ZDUSSCGKSA-N 1 2 235.371 3.236 20 0 BGADLO CCc1ccc([N@H+](CC)CCC[C@H](C)O)cc1 ZINC000789343587 585940443 /nfs/dbraw/zinc/94/04/43/585940443.db2.gz GOPPKTQUVVNPQN-ZDUSSCGKSA-N 1 2 235.371 3.236 20 0 BGADLO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000789451244 644788025 /nfs/dbraw/zinc/78/80/25/644788025.db2.gz VPEVQSSMEUXHCT-HLTSFMKQSA-N 1 2 241.272 3.253 20 0 BGADLO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000789451244 644788020 /nfs/dbraw/zinc/78/80/20/644788020.db2.gz VPEVQSSMEUXHCT-HLTSFMKQSA-N 1 2 241.272 3.253 20 0 BGADLO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000789451262 644788123 /nfs/dbraw/zinc/78/81/23/644788123.db2.gz VPEVQSSMEUXHCT-HRDYMLBCSA-N 1 2 241.272 3.253 20 0 BGADLO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000789451262 644788117 /nfs/dbraw/zinc/78/81/17/644788117.db2.gz VPEVQSSMEUXHCT-HRDYMLBCSA-N 1 2 241.272 3.253 20 0 BGADLO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000789451267 644788640 /nfs/dbraw/zinc/78/86/40/644788640.db2.gz VPEVQSSMEUXHCT-IWSPIJDZSA-N 1 2 241.272 3.253 20 0 BGADLO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000789451267 644788637 /nfs/dbraw/zinc/78/86/37/644788637.db2.gz VPEVQSSMEUXHCT-IWSPIJDZSA-N 1 2 241.272 3.253 20 0 BGADLO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000789451271 644788069 /nfs/dbraw/zinc/78/80/69/644788069.db2.gz VPEVQSSMEUXHCT-VGMNWLOBSA-N 1 2 241.272 3.253 20 0 BGADLO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000789451271 644788066 /nfs/dbraw/zinc/78/80/66/644788066.db2.gz VPEVQSSMEUXHCT-VGMNWLOBSA-N 1 2 241.272 3.253 20 0 BGADLO CC=C(CC)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000789738044 585949214 /nfs/dbraw/zinc/94/92/14/585949214.db2.gz YZHAISLODVEDDF-ONNFQVAWSA-N 1 2 243.310 3.166 20 0 BGADLO CC=C(CC)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000789738047 585949117 /nfs/dbraw/zinc/94/91/17/585949117.db2.gz YZHAISLODVEDDF-WMZJFQQLSA-N 1 2 243.310 3.166 20 0 BGADLO COc1ccc([NH2+]CCc2csc(C)n2)cc1 ZINC000790519629 585965884 /nfs/dbraw/zinc/96/58/84/585965884.db2.gz KQWOBNYGQRMFTP-UHFFFAOYSA-N 1 2 248.351 3.115 20 0 BGADLO CCSCSc1[nH+]cc2ccccn21 ZINC000791439002 585981652 /nfs/dbraw/zinc/98/16/52/585981652.db2.gz WZJLPXAUUSHTJP-UHFFFAOYSA-N 1 2 224.354 3.137 20 0 BGADLO CC[C@H](C)CC(=O)OCc1ccc(C)[nH+]c1C ZINC000791499522 585982265 /nfs/dbraw/zinc/98/22/65/585982265.db2.gz WJPFVWIPDBPDOH-JTQLQIEISA-N 1 2 235.327 3.178 20 0 BGADLO CC[C@@H](C)CC(=O)OCc1ccc(C)[nH+]c1C ZINC000791499523 585982356 /nfs/dbraw/zinc/98/23/56/585982356.db2.gz WJPFVWIPDBPDOH-SNVBAGLBSA-N 1 2 235.327 3.178 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Cl)nc(Cl)c1 ZINC000791571704 585984457 /nfs/dbraw/zinc/98/44/57/585984457.db2.gz BWLUKJQBXZUHMC-HTQZYQBOSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000791571705 585984248 /nfs/dbraw/zinc/98/42/48/585984248.db2.gz BWLUKJQBXZUHMC-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000791571705 585984247 /nfs/dbraw/zinc/98/42/47/585984247.db2.gz BWLUKJQBXZUHMC-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1cc(Cl)nc(Cl)c1 ZINC000791571706 585984392 /nfs/dbraw/zinc/98/43/92/585984392.db2.gz BWLUKJQBXZUHMC-YUMQZZPRSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1nc(Cl)ccc1Cl ZINC000791578559 585984645 /nfs/dbraw/zinc/98/46/45/585984645.db2.gz VUFSFQVBZIYDFT-HTQZYQBOSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1nc(Cl)ccc1Cl ZINC000791578560 585984709 /nfs/dbraw/zinc/98/47/09/585984709.db2.gz VUFSFQVBZIYDFT-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1nc(Cl)ccc1Cl ZINC000791578560 585984708 /nfs/dbraw/zinc/98/47/08/585984708.db2.gz VUFSFQVBZIYDFT-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1nc(Cl)ccc1Cl ZINC000791578563 585984636 /nfs/dbraw/zinc/98/46/36/585984636.db2.gz VUFSFQVBZIYDFT-YUMQZZPRSA-N 1 2 245.153 3.371 20 0 BGADLO Clc1ccc2c(c1)CC[N@H+](Cc1ccoc1)C2 ZINC000792179615 644794362 /nfs/dbraw/zinc/79/43/62/644794362.db2.gz IENUEUAIPKUVJU-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Clc1ccc2c(c1)CC[N@@H+](Cc1ccoc1)C2 ZINC000792179615 644794358 /nfs/dbraw/zinc/79/43/58/644794358.db2.gz IENUEUAIPKUVJU-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO CCn1ccc(C[N@@H+](C)C/C(Cl)=C\Cl)c1 ZINC000792313701 585999651 /nfs/dbraw/zinc/99/96/51/585999651.db2.gz NEDXMEBQQZVDDH-IZZDOVSWSA-N 1 2 247.169 3.259 20 0 BGADLO CCn1ccc(C[N@H+](C)C/C(Cl)=C\Cl)c1 ZINC000792313701 585999650 /nfs/dbraw/zinc/99/96/50/585999650.db2.gz NEDXMEBQQZVDDH-IZZDOVSWSA-N 1 2 247.169 3.259 20 0 BGADLO CCn1ccc(C[N@@H+](C)C/C(Cl)=C/Cl)c1 ZINC000792313704 585999771 /nfs/dbraw/zinc/99/97/71/585999771.db2.gz NEDXMEBQQZVDDH-WDZFZDKYSA-N 1 2 247.169 3.259 20 0 BGADLO CCn1ccc(C[N@H+](C)C/C(Cl)=C/Cl)c1 ZINC000792313704 585999770 /nfs/dbraw/zinc/99/97/70/585999770.db2.gz NEDXMEBQQZVDDH-WDZFZDKYSA-N 1 2 247.169 3.259 20 0 BGADLO FCC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000792435573 586000553 /nfs/dbraw/zinc/00/05/53/586000553.db2.gz WKTBWQGZFOMHIZ-UHFFFAOYSA-N 1 2 249.251 3.411 20 0 BGADLO FCC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000792435573 586000552 /nfs/dbraw/zinc/00/05/52/586000552.db2.gz WKTBWQGZFOMHIZ-UHFFFAOYSA-N 1 2 249.251 3.411 20 0 BGADLO FC1(CNc2ccc([NH+]3CCCC3)cc2)CC1 ZINC000792840060 586005782 /nfs/dbraw/zinc/00/57/82/586005782.db2.gz DEDZYTSKZUIHQZ-UHFFFAOYSA-N 1 2 234.318 3.201 20 0 BGADLO COC(=O)C(C)(C)CC[N@@H+](C)c1ccc(C)cc1 ZINC000793062809 586009488 /nfs/dbraw/zinc/00/94/88/586009488.db2.gz NMSIEXXOVKVQCY-UHFFFAOYSA-N 1 2 249.354 3.021 20 0 BGADLO COC(=O)C(C)(C)CC[N@H+](C)c1ccc(C)cc1 ZINC000793062809 586009487 /nfs/dbraw/zinc/00/94/87/586009487.db2.gz NMSIEXXOVKVQCY-UHFFFAOYSA-N 1 2 249.354 3.021 20 0 BGADLO FC1(F)CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000793352399 586017351 /nfs/dbraw/zinc/01/73/51/586017351.db2.gz MYMMWUDEWUNCDP-UHFFFAOYSA-N 1 2 235.661 3.164 20 0 BGADLO Fc1cccc(C[NH+]2CCC(F)(F)CC2)c1F ZINC000793358776 586017555 /nfs/dbraw/zinc/01/75/55/586017555.db2.gz IBVFXGQBTHQBKU-UHFFFAOYSA-N 1 2 247.235 3.196 20 0 BGADLO Fc1ccc(F)c(C[NH+]2CCC(F)(F)CC2)c1 ZINC000793360250 586017407 /nfs/dbraw/zinc/01/74/07/586017407.db2.gz UJWVEJQQWAAQDX-UHFFFAOYSA-N 1 2 247.235 3.196 20 0 BGADLO Fc1ccc(C[NH+]2CCC(F)(F)CC2)cc1F ZINC000793361560 586017517 /nfs/dbraw/zinc/01/75/17/586017517.db2.gz JGQDWMWXKNVEKD-UHFFFAOYSA-N 1 2 247.235 3.196 20 0 BGADLO Fc1ccc(C[NH+]2CCC(F)(F)CC2)c(F)c1 ZINC000793362681 586016750 /nfs/dbraw/zinc/01/67/50/586016750.db2.gz UMAMAXWKRMKBMG-UHFFFAOYSA-N 1 2 247.235 3.196 20 0 BGADLO Fc1cccc(F)c1C[NH+]1CCC(F)(F)CC1 ZINC000793362980 586017418 /nfs/dbraw/zinc/01/74/18/586017418.db2.gz ZAHDDAJGMBHHRH-UHFFFAOYSA-N 1 2 247.235 3.196 20 0 BGADLO Fc1cc(F)cc(C[NH+]2CCC(F)(F)CC2)c1 ZINC000793362985 586017387 /nfs/dbraw/zinc/01/73/87/586017387.db2.gz ZAUGBPIGKNIMBF-UHFFFAOYSA-N 1 2 247.235 3.196 20 0 BGADLO CC(=O)Nc1ccc(-c2cc[nH+]c(C)c2)cc1 ZINC000793368067 586017675 /nfs/dbraw/zinc/01/76/75/586017675.db2.gz QGCRRBHDEVYJKA-UHFFFAOYSA-N 1 2 226.279 3.015 20 0 BGADLO Cc1cc(-c2ccc(N(C)C)cc2)cc[nH+]1 ZINC000793368096 586017759 /nfs/dbraw/zinc/01/77/59/586017759.db2.gz RVJBXNZXNPAUKR-UHFFFAOYSA-N 1 2 212.296 3.123 20 0 BGADLO Cc1cc(-c2ccc3c(c2)C[C@@H](C)O3)cc[nH+]1 ZINC000793368740 586017672 /nfs/dbraw/zinc/01/76/72/586017672.db2.gz TXYVTSQFYJVOQT-LLVKDONJSA-N 1 2 225.291 3.380 20 0 BGADLO Cc1cc(-c2ccc3c(c2)C[C@H](C)O3)cc[nH+]1 ZINC000793368741 586017737 /nfs/dbraw/zinc/01/77/37/586017737.db2.gz TXYVTSQFYJVOQT-NSHDSACASA-N 1 2 225.291 3.380 20 0 BGADLO Cc1ccc2c(c1)CCC[N@@H+]2CC(C)C ZINC000793489384 586020875 /nfs/dbraw/zinc/02/08/75/586020875.db2.gz VFDHBQFKWOFENN-UHFFFAOYSA-N 1 2 203.329 3.404 20 0 BGADLO Cc1ccc2c(c1)CCC[N@H+]2CC(C)C ZINC000793489384 586020874 /nfs/dbraw/zinc/02/08/74/586020874.db2.gz VFDHBQFKWOFENN-UHFFFAOYSA-N 1 2 203.329 3.404 20 0 BGADLO CC[C@@H]1CC[N@H+]1Cn1ccn(C(C)C)c1=S ZINC000793825405 586027575 /nfs/dbraw/zinc/02/75/75/586027575.db2.gz YNFGMHSOONGNIW-LLVKDONJSA-N 1 2 239.388 3.042 20 0 BGADLO CC[C@@H]1CC[N@@H+]1Cn1ccn(C(C)C)c1=S ZINC000793825405 586027574 /nfs/dbraw/zinc/02/75/74/586027574.db2.gz YNFGMHSOONGNIW-LLVKDONJSA-N 1 2 239.388 3.042 20 0 BGADLO CC[C@H]1CC[N@H+]1Cn1ccn(C(C)C)c1=S ZINC000793825409 586027546 /nfs/dbraw/zinc/02/75/46/586027546.db2.gz YNFGMHSOONGNIW-NSHDSACASA-N 1 2 239.388 3.042 20 0 BGADLO CC[C@H]1CC[N@@H+]1Cn1ccn(C(C)C)c1=S ZINC000793825409 586027545 /nfs/dbraw/zinc/02/75/45/586027545.db2.gz YNFGMHSOONGNIW-NSHDSACASA-N 1 2 239.388 3.042 20 0 BGADLO Clc1nc(Cn2cc[nH+]c2)cc2ccccc12 ZINC000794560386 586044025 /nfs/dbraw/zinc/04/40/25/586044025.db2.gz NSJBXAVAXNKNNL-UHFFFAOYSA-N 1 2 243.697 3.133 20 0 BGADLO CCc1ccc([C@H](C)[NH2+]Cc2cccnc2F)o1 ZINC000794836673 586050228 /nfs/dbraw/zinc/05/02/28/586050228.db2.gz VUUYQYFVXFLVRW-JTQLQIEISA-N 1 2 248.301 3.227 20 0 BGADLO CCc1ccc([C@@H](C)[NH2+]Cc2cccnc2F)o1 ZINC000794836674 586050528 /nfs/dbraw/zinc/05/05/28/586050528.db2.gz VUUYQYFVXFLVRW-SNVBAGLBSA-N 1 2 248.301 3.227 20 0 BGADLO FC(F)C(F)(F)C[NH+]1CCC(C2CC2)CC1 ZINC000794894483 586053974 /nfs/dbraw/zinc/05/39/74/586053974.db2.gz YIERJQFHEVHCOJ-UHFFFAOYSA-N 1 2 239.256 3.009 20 0 BGADLO Cc1ccoc1C[N@H+](C)Cc1ncc(C(C)C)o1 ZINC000795168251 586070215 /nfs/dbraw/zinc/07/02/15/586070215.db2.gz LCOUGHNNMIUXME-UHFFFAOYSA-N 1 2 248.326 3.331 20 0 BGADLO Cc1ccoc1C[N@@H+](C)Cc1ncc(C(C)C)o1 ZINC000795168251 586070213 /nfs/dbraw/zinc/07/02/13/586070213.db2.gz LCOUGHNNMIUXME-UHFFFAOYSA-N 1 2 248.326 3.331 20 0 BGADLO COc1ccc([C@@H]2C[C@H]2Nc2cccc[nH+]2)cc1 ZINC000795258980 586073684 /nfs/dbraw/zinc/07/36/84/586073684.db2.gz QQMIHRYOGVYIGE-UONOGXRCSA-N 1 2 240.306 3.058 20 0 BGADLO FCCCC[NH2+]c1ccc(OCC(F)F)cc1 ZINC000795262901 586073871 /nfs/dbraw/zinc/07/38/71/586073871.db2.gz ZCOUNZAAROSYCB-UHFFFAOYSA-N 1 2 247.260 3.492 20 0 BGADLO CN(C)c1cc(CSCCCCF)cc[nH+]1 ZINC000795375236 586076668 /nfs/dbraw/zinc/07/66/68/586076668.db2.gz OHCHILBIKGTIGL-UHFFFAOYSA-N 1 2 242.363 3.131 20 0 BGADLO FC(F)C(F)(F)C[NH+](C1CCC1)C1CCC1 ZINC000795457472 586079880 /nfs/dbraw/zinc/07/98/80/586079880.db2.gz HHUGUFSRORPMAI-UHFFFAOYSA-N 1 2 239.256 3.294 20 0 BGADLO Cc1ccc2c(c1)CCC[N@@H+]2CCCCF ZINC000795856640 586093528 /nfs/dbraw/zinc/09/35/28/586093528.db2.gz NJDDJTHVWWZBRT-UHFFFAOYSA-N 1 2 221.319 3.497 20 0 BGADLO Cc1ccc2c(c1)CCC[N@H+]2CCCCF ZINC000795856640 586093527 /nfs/dbraw/zinc/09/35/27/586093527.db2.gz NJDDJTHVWWZBRT-UHFFFAOYSA-N 1 2 221.319 3.497 20 0 BGADLO Cc1ccc([N@@H+](C)CCCCF)cc1C ZINC000795868153 586093789 /nfs/dbraw/zinc/09/37/89/586093789.db2.gz OKFNZDFEBGWTAZ-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO Cc1ccc([N@H+](C)CCCCF)cc1C ZINC000795868153 586093788 /nfs/dbraw/zinc/09/37/88/586093788.db2.gz OKFNZDFEBGWTAZ-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO Cc1ccc([N@@H+](C)CCCCF)c(C)c1 ZINC000795869820 586093750 /nfs/dbraw/zinc/09/37/50/586093750.db2.gz YNBXDBYWGLLRPP-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO Cc1ccc([N@H+](C)CCCCF)c(C)c1 ZINC000795869820 586093749 /nfs/dbraw/zinc/09/37/49/586093749.db2.gz YNBXDBYWGLLRPP-UHFFFAOYSA-N 1 2 209.308 3.489 20 0 BGADLO CCc1ccc([N@@H+](CCCO)CC(C)C)cc1 ZINC000796477698 586104801 /nfs/dbraw/zinc/10/48/01/586104801.db2.gz LGEZEYAWLGAFJL-UHFFFAOYSA-N 1 2 235.371 3.094 20 0 BGADLO CCc1ccc([N@H+](CCCO)CC(C)C)cc1 ZINC000796477698 586104800 /nfs/dbraw/zinc/10/48/00/586104800.db2.gz LGEZEYAWLGAFJL-UHFFFAOYSA-N 1 2 235.371 3.094 20 0 BGADLO CC1(C[NH2+]c2ccc(OCCCO)cc2)CCC1 ZINC000796519716 586105723 /nfs/dbraw/zinc/10/57/23/586105723.db2.gz HATOHDBQRBAIJU-UHFFFAOYSA-N 1 2 249.354 3.050 20 0 BGADLO c1nc(CSc2[nH+]cc3ccccn32)cs1 ZINC000796528755 586106104 /nfs/dbraw/zinc/10/61/04/586106104.db2.gz WUBMEKAJNYZVAR-UHFFFAOYSA-N 1 2 247.348 3.083 20 0 BGADLO C[N@@H+](CC(F)(F)C(F)F)[C@@H]1CCC(C)(C)C1 ZINC000796531269 586105960 /nfs/dbraw/zinc/10/59/60/586105960.db2.gz KSMVUFJMJFTQBI-MRVPVSSYSA-N 1 2 241.272 3.397 20 0 BGADLO C[N@H+](CC(F)(F)C(F)F)[C@@H]1CCC(C)(C)C1 ZINC000796531269 586105959 /nfs/dbraw/zinc/10/59/59/586105959.db2.gz KSMVUFJMJFTQBI-MRVPVSSYSA-N 1 2 241.272 3.397 20 0 BGADLO C[N@@H+](CC(F)(F)C(F)F)[C@H]1CCC(C)(C)C1 ZINC000796531271 586106010 /nfs/dbraw/zinc/10/60/10/586106010.db2.gz KSMVUFJMJFTQBI-QMMMGPOBSA-N 1 2 241.272 3.397 20 0 BGADLO C[N@H+](CC(F)(F)C(F)F)[C@H]1CCC(C)(C)C1 ZINC000796531271 586106009 /nfs/dbraw/zinc/10/60/09/586106009.db2.gz KSMVUFJMJFTQBI-QMMMGPOBSA-N 1 2 241.272 3.397 20 0 BGADLO CC[N@@H+](CC1CCC1)CC(F)(F)C(F)F ZINC000796534474 586105996 /nfs/dbraw/zinc/10/59/96/586105996.db2.gz UOFKFBKZIGJQNE-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO CC[N@H+](CC1CCC1)CC(F)(F)C(F)F ZINC000796534474 586105995 /nfs/dbraw/zinc/10/59/95/586105995.db2.gz UOFKFBKZIGJQNE-UHFFFAOYSA-N 1 2 227.245 3.009 20 0 BGADLO CC(C)c1cnc(C[NH+]2CCC(F)(F)CC2)o1 ZINC000796540412 586106547 /nfs/dbraw/zinc/10/65/47/586106547.db2.gz JEQSEOHDJMPSEI-UHFFFAOYSA-N 1 2 244.285 3.029 20 0 BGADLO FC(F)C(F)(F)C[N@@H+](CC1CC1)C1CCC1 ZINC000796578656 586107682 /nfs/dbraw/zinc/10/76/82/586107682.db2.gz WSLXYFUQAKPJSY-UHFFFAOYSA-N 1 2 239.256 3.151 20 0 BGADLO FC(F)C(F)(F)C[N@H+](CC1CC1)C1CCC1 ZINC000796578656 586107681 /nfs/dbraw/zinc/10/76/81/586107681.db2.gz WSLXYFUQAKPJSY-UHFFFAOYSA-N 1 2 239.256 3.151 20 0 BGADLO CCOc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1F ZINC000796870861 586115657 /nfs/dbraw/zinc/11/56/57/586115657.db2.gz SCUNPGGUABFKCV-SECBINFHSA-N 1 2 249.289 3.121 20 0 BGADLO CCOc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1F ZINC000796870863 586115719 /nfs/dbraw/zinc/11/57/19/586115719.db2.gz SCUNPGGUABFKCV-VIFPVBQESA-N 1 2 249.289 3.121 20 0 BGADLO CC(C)[C@@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCO2 ZINC000796878290 586115975 /nfs/dbraw/zinc/11/59/75/586115975.db2.gz FAVLFHIBWVHBAK-KBPBESRZSA-N 1 2 231.339 3.468 20 0 BGADLO CC(C)[C@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)CCO2 ZINC000796878294 586116011 /nfs/dbraw/zinc/11/60/11/586116011.db2.gz FAVLFHIBWVHBAK-KGLIPLIRSA-N 1 2 231.339 3.468 20 0 BGADLO CC(C)[C@@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCO2 ZINC000796878296 586115989 /nfs/dbraw/zinc/11/59/89/586115989.db2.gz FAVLFHIBWVHBAK-UONOGXRCSA-N 1 2 231.339 3.468 20 0 BGADLO CC(C)[C@H]1CC[C@H]1[NH2+]c1ccc2c(c1)CCO2 ZINC000796878298 586115818 /nfs/dbraw/zinc/11/58/18/586115818.db2.gz FAVLFHIBWVHBAK-ZIAGYGMSSA-N 1 2 231.339 3.468 20 0 BGADLO CCCOc1ccc(N[C@H](C)c2[nH]cc[nH+]2)cc1 ZINC000796890906 586116448 /nfs/dbraw/zinc/11/64/48/586116448.db2.gz HYMXPSGYLSPSOP-LLVKDONJSA-N 1 2 245.326 3.372 20 0 BGADLO CCCOc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000796890908 586116261 /nfs/dbraw/zinc/11/62/61/586116261.db2.gz HYMXPSGYLSPSOP-NSHDSACASA-N 1 2 245.326 3.372 20 0 BGADLO C[C@H](Nc1ccc(C2CC2)cc1)c1[nH]cc[nH+]1 ZINC000796898831 586116533 /nfs/dbraw/zinc/11/65/33/586116533.db2.gz PBRVSYPIKKMYKT-JTQLQIEISA-N 1 2 227.311 3.460 20 0 BGADLO C[C@@H](Nc1ccc(C2CC2)cc1)c1[nH]cc[nH+]1 ZINC000796898832 586116497 /nfs/dbraw/zinc/11/64/97/586116497.db2.gz PBRVSYPIKKMYKT-SNVBAGLBSA-N 1 2 227.311 3.460 20 0 BGADLO COc1ccc([NH2+][C@H]2CC[C@H]2C(C)C)cc1CO ZINC000796908870 586116785 /nfs/dbraw/zinc/11/67/85/586116785.db2.gz ZOESWHTXFSQJMR-KBPBESRZSA-N 1 2 249.354 3.034 20 0 BGADLO COc1ccc([NH2+][C@H]2CC[C@@H]2C(C)C)cc1CO ZINC000796908871 586116869 /nfs/dbraw/zinc/11/68/69/586116869.db2.gz ZOESWHTXFSQJMR-KGLIPLIRSA-N 1 2 249.354 3.034 20 0 BGADLO COc1ccc([NH2+][C@@H]2CC[C@H]2C(C)C)cc1CO ZINC000796908872 586116878 /nfs/dbraw/zinc/11/68/78/586116878.db2.gz ZOESWHTXFSQJMR-UONOGXRCSA-N 1 2 249.354 3.034 20 0 BGADLO COc1ccc([NH2+][C@@H]2CC[C@@H]2C(C)C)cc1CO ZINC000796908873 586116800 /nfs/dbraw/zinc/11/68/00/586116800.db2.gz ZOESWHTXFSQJMR-ZIAGYGMSSA-N 1 2 249.354 3.034 20 0 BGADLO COc1cc(C)c(N[C@H](C)c2[nH]cc[nH+]2)cc1C ZINC000796965969 586118063 /nfs/dbraw/zinc/11/80/63/586118063.db2.gz DZRHOQDPNIUPRD-LLVKDONJSA-N 1 2 245.326 3.208 20 0 BGADLO COc1cc(C)c(N[C@@H](C)c2[nH]cc[nH+]2)cc1C ZINC000796965971 586118174 /nfs/dbraw/zinc/11/81/74/586118174.db2.gz DZRHOQDPNIUPRD-NSHDSACASA-N 1 2 245.326 3.208 20 0 BGADLO Cc1cc(CNc2ccc[nH+]c2C)cc(Cl)n1 ZINC000797602146 586129330 /nfs/dbraw/zinc/12/93/30/586129330.db2.gz NCMXKLIMKDGNBG-UHFFFAOYSA-N 1 2 247.729 3.359 20 0 BGADLO Cc1c[nH+]cc(NCc2cc(C)nc(Cl)c2)c1 ZINC000797602432 586129394 /nfs/dbraw/zinc/12/93/94/586129394.db2.gz RGQNVJOFGBYOOL-UHFFFAOYSA-N 1 2 247.729 3.359 20 0 BGADLO Cc1cc(CNc2c[nH+]ccc2C)cc(Cl)n1 ZINC000797602490 586129312 /nfs/dbraw/zinc/12/93/12/586129312.db2.gz RYZDUZIJVSIURF-UHFFFAOYSA-N 1 2 247.729 3.359 20 0 BGADLO Cc1cc(CNc2ccc(C)[nH+]c2)cc(Cl)n1 ZINC000797602935 586129431 /nfs/dbraw/zinc/12/94/31/586129431.db2.gz XUORQSSJCNNIQL-UHFFFAOYSA-N 1 2 247.729 3.359 20 0 BGADLO C/C(=C\Cl)CSCCCn1cc[nH+]c1 ZINC000797813648 586132192 /nfs/dbraw/zinc/13/21/92/586132192.db2.gz JCVHNKPIVMTTGL-JXMROGBWSA-N 1 2 230.764 3.149 20 0 BGADLO C/C(=C/Cl)CSCCCn1cc[nH+]c1 ZINC000797813649 586132142 /nfs/dbraw/zinc/13/21/42/586132142.db2.gz JCVHNKPIVMTTGL-YFHOEESVSA-N 1 2 230.764 3.149 20 0 BGADLO C/C(=C/Cl)CSc1[nH+]cnc2[nH]ccc21 ZINC000797829472 586132381 /nfs/dbraw/zinc/13/23/81/586132381.db2.gz LMEKUBVJYIMGKP-DAXSKMNVSA-N 1 2 239.731 3.193 20 0 BGADLO C/C(=C\Cl)CSc1[nH+]cnc2[nH]ccc21 ZINC000797829473 586132399 /nfs/dbraw/zinc/13/23/99/586132399.db2.gz LMEKUBVJYIMGKP-QPJJXVBHSA-N 1 2 239.731 3.193 20 0 BGADLO CC(C)(C)CCCO[NH+]=C(N)COC(C)(C)C ZINC000799176124 586164389 /nfs/dbraw/zinc/16/43/89/586164389.db2.gz FKIAVDVVJXTYER-UHFFFAOYSA-N 1 2 244.379 3.126 20 0 BGADLO CN(C)c1cc(CSCC(C)(C)C)cc[nH+]1 ZINC000799305949 586170480 /nfs/dbraw/zinc/17/04/80/586170480.db2.gz DPLVTFFMDVLMSU-UHFFFAOYSA-N 1 2 238.400 3.427 20 0 BGADLO COc1ccc([NH2+][C@H]2CCC23CCC3)c(OC)c1 ZINC000800483323 586223056 /nfs/dbraw/zinc/22/30/56/586223056.db2.gz GJJGDJGFUZGHRA-AWEZNQCLSA-N 1 2 247.338 3.448 20 0 BGADLO COc1ccc([NH2+][C@@H]2CCC23CCC3)c(OC)c1 ZINC000800483324 586222854 /nfs/dbraw/zinc/22/28/54/586222854.db2.gz GJJGDJGFUZGHRA-CQSZACIVSA-N 1 2 247.338 3.448 20 0 BGADLO c1cc([NH2+][C@H]2CCC23CCC3)cc2c1OCC2 ZINC000800487081 586223015 /nfs/dbraw/zinc/22/30/15/586223015.db2.gz ZYFNNINNLVASGE-AWEZNQCLSA-N 1 2 229.323 3.366 20 0 BGADLO c1cc([NH2+][C@@H]2CCC23CCC3)cc2c1OCC2 ZINC000800487082 586222551 /nfs/dbraw/zinc/22/25/51/586222551.db2.gz ZYFNNINNLVASGE-CQSZACIVSA-N 1 2 229.323 3.366 20 0 BGADLO C[NH+](C)c1ccc(N[C@H]2CCC23CCC3)cc1 ZINC000800488639 586222826 /nfs/dbraw/zinc/22/28/26/586222826.db2.gz SZWBDPVBWCBNSX-AWEZNQCLSA-N 1 2 230.355 3.497 20 0 BGADLO CN(C)c1ccc([NH2+][C@H]2CCC23CCC3)cc1 ZINC000800488639 586222823 /nfs/dbraw/zinc/22/28/23/586222823.db2.gz SZWBDPVBWCBNSX-AWEZNQCLSA-N 1 2 230.355 3.497 20 0 BGADLO C[NH+](C)c1ccc(N[C@@H]2CCC23CCC3)cc1 ZINC000800488642 586222796 /nfs/dbraw/zinc/22/27/96/586222796.db2.gz SZWBDPVBWCBNSX-CQSZACIVSA-N 1 2 230.355 3.497 20 0 BGADLO CN(C)c1ccc([NH2+][C@@H]2CCC23CCC3)cc1 ZINC000800488642 586222795 /nfs/dbraw/zinc/22/27/95/586222795.db2.gz SZWBDPVBWCBNSX-CQSZACIVSA-N 1 2 230.355 3.497 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2cccnc2F)oc1C ZINC000800491772 586223489 /nfs/dbraw/zinc/22/34/89/586223489.db2.gz VNTAREFVCLKPMK-JTQLQIEISA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2cccnc2F)oc1C ZINC000800491773 586223941 /nfs/dbraw/zinc/22/39/41/586223941.db2.gz VNTAREFVCLKPMK-SNVBAGLBSA-N 1 2 248.301 3.281 20 0 BGADLO Cc1ccc2c(c1)CC[C@H]2[NH2+]C1(C(F)F)CC1 ZINC000800501896 586223954 /nfs/dbraw/zinc/22/39/54/586223954.db2.gz GFNBTXDNYBVGOM-GFCCVEGCSA-N 1 2 237.293 3.370 20 0 BGADLO Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1(C(F)F)CC1 ZINC000800501897 586223780 /nfs/dbraw/zinc/22/37/80/586223780.db2.gz GFNBTXDNYBVGOM-LBPRGKRZSA-N 1 2 237.293 3.370 20 0 BGADLO C[C@H](Cc1cccc(F)c1)[NH2+]C1(C(F)F)CC1 ZINC000800502056 586223339 /nfs/dbraw/zinc/22/33/39/586223339.db2.gz LNXDJCSWALKSHE-SECBINFHSA-N 1 2 243.272 3.144 20 0 BGADLO C[C@@H](Cc1cccc(F)c1)[NH2+]C1(C(F)F)CC1 ZINC000800502057 586223444 /nfs/dbraw/zinc/22/34/44/586223444.db2.gz LNXDJCSWALKSHE-VIFPVBQESA-N 1 2 243.272 3.144 20 0 BGADLO Cc1ccc(CCNc2cccc(Cl)n2)c[nH+]1 ZINC000800851549 586234589 /nfs/dbraw/zinc/23/45/89/586234589.db2.gz QCQYJOPZGVCURL-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO Cc1c[nH+]ccc1CCNc1cccc(Cl)n1 ZINC000800861428 586234546 /nfs/dbraw/zinc/23/45/46/586234546.db2.gz LEZWBUCSKVJBEE-UHFFFAOYSA-N 1 2 247.729 3.093 20 0 BGADLO C[C@@H]([NH2+]Cc1coc(C2CC2)n1)c1ccsc1 ZINC000800888963 586235952 /nfs/dbraw/zinc/23/59/52/586235952.db2.gz HTLDMDOWCLDZAY-SECBINFHSA-N 1 2 248.351 3.464 20 0 BGADLO C[C@H]([NH2+]Cc1coc(C2CC2)n1)c1ccsc1 ZINC000800888965 586235987 /nfs/dbraw/zinc/23/59/87/586235987.db2.gz HTLDMDOWCLDZAY-VIFPVBQESA-N 1 2 248.351 3.464 20 0 BGADLO Clc1ccc(C[N@@H+]2CC=CCC2)c(Cl)n1 ZINC000801535405 586260952 /nfs/dbraw/zinc/26/09/52/586260952.db2.gz FNXIIJVJCWSWFH-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO Clc1ccc(C[N@H+]2CC=CCC2)c(Cl)n1 ZINC000801535405 586260949 /nfs/dbraw/zinc/26/09/49/586260949.db2.gz FNXIIJVJCWSWFH-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(Cl)nc1Cl ZINC000801554485 586261521 /nfs/dbraw/zinc/26/15/21/586261521.db2.gz IAWHDYQJAPJJDZ-HTQZYQBOSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(Cl)nc1Cl ZINC000801554486 586261907 /nfs/dbraw/zinc/26/19/07/586261907.db2.gz IAWHDYQJAPJJDZ-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(Cl)nc1Cl ZINC000801554486 586261905 /nfs/dbraw/zinc/26/19/05/586261905.db2.gz IAWHDYQJAPJJDZ-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(Cl)nc1Cl ZINC000801554487 586261779 /nfs/dbraw/zinc/26/17/79/586261779.db2.gz IAWHDYQJAPJJDZ-YUMQZZPRSA-N 1 2 245.153 3.371 20 0 BGADLO F[C@]1(c2ccccc2)CC[N@@H+](C/C=C/Cl)C1 ZINC000801589060 586265062 /nfs/dbraw/zinc/26/50/62/586265062.db2.gz YYMXCRXFMPATNA-FLUIGGAXSA-N 1 2 239.721 3.310 20 0 BGADLO F[C@]1(c2ccccc2)CC[N@H+](C/C=C/Cl)C1 ZINC000801589060 586265056 /nfs/dbraw/zinc/26/50/56/586265056.db2.gz YYMXCRXFMPATNA-FLUIGGAXSA-N 1 2 239.721 3.310 20 0 BGADLO F[C@@]1(c2ccccc2)CC[N@@H+](C/C=C/Cl)C1 ZINC000801589061 586264942 /nfs/dbraw/zinc/26/49/42/586264942.db2.gz YYMXCRXFMPATNA-GBVBUYCNSA-N 1 2 239.721 3.310 20 0 BGADLO F[C@@]1(c2ccccc2)CC[N@H+](C/C=C/Cl)C1 ZINC000801589061 586264940 /nfs/dbraw/zinc/26/49/40/586264940.db2.gz YYMXCRXFMPATNA-GBVBUYCNSA-N 1 2 239.721 3.310 20 0 BGADLO F[C@]1(c2ccccc2)CC[N@@H+](C/C=C\Cl)C1 ZINC000801589062 586265353 /nfs/dbraw/zinc/26/53/53/586265353.db2.gz YYMXCRXFMPATNA-IBSXUBTNSA-N 1 2 239.721 3.310 20 0 BGADLO F[C@]1(c2ccccc2)CC[N@H+](C/C=C\Cl)C1 ZINC000801589062 586265352 /nfs/dbraw/zinc/26/53/52/586265352.db2.gz YYMXCRXFMPATNA-IBSXUBTNSA-N 1 2 239.721 3.310 20 0 BGADLO F[C@@]1(c2ccccc2)CC[N@@H+](C/C=C\Cl)C1 ZINC000801589063 586264057 /nfs/dbraw/zinc/26/40/57/586264057.db2.gz YYMXCRXFMPATNA-UKOWJOKBSA-N 1 2 239.721 3.310 20 0 BGADLO F[C@@]1(c2ccccc2)CC[N@H+](C/C=C\Cl)C1 ZINC000801589063 586264055 /nfs/dbraw/zinc/26/40/55/586264055.db2.gz YYMXCRXFMPATNA-UKOWJOKBSA-N 1 2 239.721 3.310 20 0 BGADLO CCC[N@@H+](CCSC(C)(C)C)CC(F)F ZINC000801917103 586276260 /nfs/dbraw/zinc/27/62/60/586276260.db2.gz QCGWUSIQTGQIPD-UHFFFAOYSA-N 1 2 239.375 3.495 20 0 BGADLO CCC[N@H+](CCSC(C)(C)C)CC(F)F ZINC000801917103 586276258 /nfs/dbraw/zinc/27/62/58/586276258.db2.gz QCGWUSIQTGQIPD-UHFFFAOYSA-N 1 2 239.375 3.495 20 0 BGADLO CC(C)[N@@H+](CCSC(C)(C)C)CC(F)F ZINC000801929153 586278871 /nfs/dbraw/zinc/27/88/71/586278871.db2.gz GXRMRHKGEIDNCM-UHFFFAOYSA-N 1 2 239.375 3.494 20 0 BGADLO CC(C)[N@H+](CCSC(C)(C)C)CC(F)F ZINC000801929153 586278870 /nfs/dbraw/zinc/27/88/70/586278870.db2.gz GXRMRHKGEIDNCM-UHFFFAOYSA-N 1 2 239.375 3.494 20 0 BGADLO Cc1ccc(COC(=O)C2CC(C)(C)C2)c(C)[nH+]1 ZINC000803755211 586371996 /nfs/dbraw/zinc/37/19/96/586371996.db2.gz ITDJUUBMKYKRSD-UHFFFAOYSA-N 1 2 247.338 3.178 20 0 BGADLO Cc1cc(CNc2cc3cc[nH]c3c[nH+]2)c(C)o1 ZINC000804459453 586395921 /nfs/dbraw/zinc/39/59/21/586395921.db2.gz WAVSVGUVSFZWKT-UHFFFAOYSA-N 1 2 241.294 3.385 20 0 BGADLO CC(C)c1nc(N[C@@H]2CCCC2(F)F)cc[nH+]1 ZINC000804688208 582526591 /nfs/dbraw/zinc/52/65/91/582526591.db2.gz LTDOGZYECFIBTB-SECBINFHSA-N 1 2 241.285 3.200 20 0 BGADLO CC(C)c1nc(N[C@H]2CCCC2(F)F)cc[nH+]1 ZINC000804688209 582526765 /nfs/dbraw/zinc/52/67/65/582526765.db2.gz LTDOGZYECFIBTB-VIFPVBQESA-N 1 2 241.285 3.200 20 0 BGADLO CC(C)c1cc(N2CC[C@H]3C[C@H]32)nc(C(C)C)[nH+]1 ZINC000804689594 582527004 /nfs/dbraw/zinc/52/70/04/582527004.db2.gz QUPHQYBNNUQFLF-WCQYABFASA-N 1 2 245.370 3.322 20 0 BGADLO CC(C)c1cc(N2CC[C@@H]3C[C@@H]32)nc(C(C)C)[nH+]1 ZINC000804689595 582526892 /nfs/dbraw/zinc/52/68/92/582526892.db2.gz QUPHQYBNNUQFLF-YPMHNXCESA-N 1 2 245.370 3.322 20 0 BGADLO CC(C)(C)c1nc(N[C@H]2CCC2(C)C)cc[nH+]1 ZINC000804852775 582621347 /nfs/dbraw/zinc/62/13/47/582621347.db2.gz GUDZUCGFRTZCNQ-JTQLQIEISA-N 1 2 233.359 3.375 20 0 BGADLO CC(C)(C)c1nc(N[C@@H]2CCC2(C)C)cc[nH+]1 ZINC000804852776 582621334 /nfs/dbraw/zinc/62/13/34/582621334.db2.gz GUDZUCGFRTZCNQ-SNVBAGLBSA-N 1 2 233.359 3.375 20 0 BGADLO COc1cc[nH+]cc1CSC/C(C)=C\Cl ZINC000804915650 585160038 /nfs/dbraw/zinc/16/00/38/585160038.db2.gz CNFYSIHNSWXZAA-UITAMQMPSA-N 1 2 243.759 3.466 20 0 BGADLO COc1cc[nH+]cc1CSC/C(C)=C/Cl ZINC000804915651 585160171 /nfs/dbraw/zinc/16/01/71/585160171.db2.gz CNFYSIHNSWXZAA-WEVVVXLNSA-N 1 2 243.759 3.466 20 0 BGADLO Cc1ccc(COC(=O)C(C)(C)C2CC2)c(C)[nH+]1 ZINC000805701547 585802991 /nfs/dbraw/zinc/80/29/91/585802991.db2.gz MCXXYWQJNXXNGS-UHFFFAOYSA-N 1 2 247.338 3.178 20 0 BGADLO CC1(C)C[N@@H+](CCF)[C@H]1c1cccs1 ZINC000805839936 585910174 /nfs/dbraw/zinc/91/01/74/585910174.db2.gz VUHCFSGBUGYJBV-JTQLQIEISA-N 1 2 213.321 3.101 20 0 BGADLO CC1(C)C[N@H+](CCF)[C@H]1c1cccs1 ZINC000805839936 585910173 /nfs/dbraw/zinc/91/01/73/585910173.db2.gz VUHCFSGBUGYJBV-JTQLQIEISA-N 1 2 213.321 3.101 20 0 BGADLO CC1(C)C[N@@H+](CCF)[C@@H]1c1cccs1 ZINC000805839938 585909987 /nfs/dbraw/zinc/90/99/87/585909987.db2.gz VUHCFSGBUGYJBV-SNVBAGLBSA-N 1 2 213.321 3.101 20 0 BGADLO CC1(C)C[N@H+](CCF)[C@@H]1c1cccs1 ZINC000805839938 585909986 /nfs/dbraw/zinc/90/99/86/585909986.db2.gz VUHCFSGBUGYJBV-SNVBAGLBSA-N 1 2 213.321 3.101 20 0 BGADLO COc1ccc([NH2+][C@@H]2CC[C@@H]2C2CC2)c(OC)c1 ZINC000806149836 586405323 /nfs/dbraw/zinc/40/53/23/586405323.db2.gz IPFRDJWWCJDVKP-CHWSQXEVSA-N 1 2 247.338 3.304 20 0 BGADLO COc1ccc([NH2+][C@H]2CC[C@@H]2C2CC2)c(OC)c1 ZINC000806149837 586405529 /nfs/dbraw/zinc/40/55/29/586405529.db2.gz IPFRDJWWCJDVKP-OLZOCXBDSA-N 1 2 247.338 3.304 20 0 BGADLO COc1ccc([NH2+][C@@H]2CC[C@H]2C2CC2)c(OC)c1 ZINC000806149838 586405309 /nfs/dbraw/zinc/40/53/09/586405309.db2.gz IPFRDJWWCJDVKP-QWHCGFSZSA-N 1 2 247.338 3.304 20 0 BGADLO COc1ccc([NH2+][C@H]2CC[C@H]2C2CC2)c(OC)c1 ZINC000806149839 586405220 /nfs/dbraw/zinc/40/52/20/586405220.db2.gz IPFRDJWWCJDVKP-STQMWFEESA-N 1 2 247.338 3.304 20 0 BGADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(OC)cc1OC ZINC000806150499 586405472 /nfs/dbraw/zinc/40/54/72/586405472.db2.gz UMTOTXKARLEDCM-CMPLNLGQSA-N 1 2 235.327 3.304 20 0 BGADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(OC)cc1OC ZINC000806150500 586405562 /nfs/dbraw/zinc/40/55/62/586405562.db2.gz UMTOTXKARLEDCM-JQWIXIFHSA-N 1 2 235.327 3.304 20 0 BGADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(OC)cc1OC ZINC000806150501 586405317 /nfs/dbraw/zinc/40/53/17/586405317.db2.gz UMTOTXKARLEDCM-PWSUYJOCSA-N 1 2 235.327 3.304 20 0 BGADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(OC)cc1OC ZINC000806150502 586405299 /nfs/dbraw/zinc/40/52/99/586405299.db2.gz UMTOTXKARLEDCM-ZYHUDNBSSA-N 1 2 235.327 3.304 20 0 BGADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(OCCOC)cc1 ZINC000806150891 586405268 /nfs/dbraw/zinc/40/52/68/586405268.db2.gz CNLJPIHWRAIULI-DOMZBBRYSA-N 1 2 249.354 3.312 20 0 BGADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(OCCOC)cc1 ZINC000806150892 586405399 /nfs/dbraw/zinc/40/53/99/586405399.db2.gz CNLJPIHWRAIULI-IUODEOHRSA-N 1 2 249.354 3.312 20 0 BGADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(OCCOC)cc1 ZINC000806150893 586405249 /nfs/dbraw/zinc/40/52/49/586405249.db2.gz CNLJPIHWRAIULI-SWLSCSKDSA-N 1 2 249.354 3.312 20 0 BGADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(OCCOC)cc1 ZINC000806150894 585917026 /nfs/dbraw/zinc/91/70/26/585917026.db2.gz CNLJPIHWRAIULI-WFASDCNBSA-N 1 2 249.354 3.312 20 0 BGADLO c1cc([NH2+][C@H]2CC[C@H]2C2CC2)cc2c1OCC2 ZINC000806153299 586405727 /nfs/dbraw/zinc/40/57/27/586405727.db2.gz MPSYNJSOUJECDH-KBPBESRZSA-N 1 2 229.323 3.222 20 0 BGADLO c1cc([NH2+][C@H]2CC[C@@H]2C2CC2)cc2c1OCC2 ZINC000806153300 586406256 /nfs/dbraw/zinc/40/62/56/586406256.db2.gz MPSYNJSOUJECDH-KGLIPLIRSA-N 1 2 229.323 3.222 20 0 BGADLO c1cc([NH2+][C@@H]2CC[C@H]2C2CC2)cc2c1OCC2 ZINC000806153301 586406065 /nfs/dbraw/zinc/40/60/65/586406065.db2.gz MPSYNJSOUJECDH-UONOGXRCSA-N 1 2 229.323 3.222 20 0 BGADLO c1cc([NH2+][C@@H]2CC[C@@H]2C2CC2)cc2c1OCC2 ZINC000806153302 586405995 /nfs/dbraw/zinc/40/59/95/586405995.db2.gz MPSYNJSOUJECDH-ZIAGYGMSSA-N 1 2 229.323 3.222 20 0 BGADLO CCOc1ccc([NH2+][C@@H]2CC[C@H]2CC)cc1CO ZINC000806156985 586406288 /nfs/dbraw/zinc/40/62/88/586406288.db2.gz OHEDOKGHDUYFNH-BXUZGUMPSA-N 1 2 249.354 3.178 20 0 BGADLO CCOc1ccc([NH2+][C@H]2CC[C@@H]2CC)cc1CO ZINC000806156986 586406119 /nfs/dbraw/zinc/40/61/19/586406119.db2.gz OHEDOKGHDUYFNH-FZMZJTMJSA-N 1 2 249.354 3.178 20 0 BGADLO CCOc1ccc([NH2+][C@H]2CC[C@H]2CC)cc1CO ZINC000806156987 586406053 /nfs/dbraw/zinc/40/60/53/586406053.db2.gz OHEDOKGHDUYFNH-RISCZKNCSA-N 1 2 249.354 3.178 20 0 BGADLO CCOc1ccc([NH2+][C@@H]2CC[C@@H]2CC)cc1CO ZINC000806156988 586405904 /nfs/dbraw/zinc/40/59/04/586405904.db2.gz OHEDOKGHDUYFNH-SMDDNHRTSA-N 1 2 249.354 3.178 20 0 BGADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000806158499 586406089 /nfs/dbraw/zinc/40/60/89/586406089.db2.gz YUYULTVKGKWVPX-AAEUAGOBSA-N 1 2 246.354 3.116 20 0 BGADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000806158500 586406074 /nfs/dbraw/zinc/40/60/74/586406074.db2.gz YUYULTVKGKWVPX-DGCLKSJQSA-N 1 2 246.354 3.116 20 0 BGADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000806158501 586406402 /nfs/dbraw/zinc/40/64/02/586406402.db2.gz YUYULTVKGKWVPX-WCQYABFASA-N 1 2 246.354 3.116 20 0 BGADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)N(C)CCO2 ZINC000806158502 586406079 /nfs/dbraw/zinc/40/60/79/586406079.db2.gz YUYULTVKGKWVPX-YPMHNXCESA-N 1 2 246.354 3.116 20 0 BGADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000806161648 582489177 /nfs/dbraw/zinc/48/91/77/582489177.db2.gz RQZKFJRIBUDCBF-ABAIWWIYSA-N 1 2 247.338 3.065 20 0 BGADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000806161651 582489362 /nfs/dbraw/zinc/48/93/62/582489362.db2.gz RQZKFJRIBUDCBF-IAQYHMDHSA-N 1 2 247.338 3.065 20 0 BGADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000806161652 582489366 /nfs/dbraw/zinc/48/93/66/582489366.db2.gz RQZKFJRIBUDCBF-NHYWBVRUSA-N 1 2 247.338 3.065 20 0 BGADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(OC2COC2)cc1 ZINC000806161653 582489241 /nfs/dbraw/zinc/48/92/41/582489241.db2.gz RQZKFJRIBUDCBF-XHDPSFHLSA-N 1 2 247.338 3.065 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)NCCC1CCC1 ZINC000806537110 586413878 /nfs/dbraw/zinc/41/38/78/586413878.db2.gz HNQJGEIXTSTSAU-UHFFFAOYSA-N 1 2 247.342 3.010 20 0 BGADLO CC(C)=CCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000808246511 586469058 /nfs/dbraw/zinc/46/90/58/586469058.db2.gz DYEWMLGQGFOMSL-UHFFFAOYSA-N 1 2 238.718 3.153 20 0 BGADLO CC(C)=CCO[NH+]=C(N)Cc1ccccc1C ZINC000808260546 586468686 /nfs/dbraw/zinc/46/86/86/586468686.db2.gz RVWPJCUEFAGORH-UHFFFAOYSA-N 1 2 232.327 3.002 20 0 BGADLO CCc1ccc(NCc2cn(C)c[nH+]2)cc1CC ZINC000808402401 586471128 /nfs/dbraw/zinc/47/11/28/586471128.db2.gz ATLSRSAVAGGHRK-UHFFFAOYSA-N 1 2 243.354 3.157 20 0 BGADLO CSc1ccc(C)c(NCc2cn(C)c[nH+]2)c1 ZINC000808402453 586471272 /nfs/dbraw/zinc/47/12/72/586471272.db2.gz CFHDLEIVCPSAFK-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO CSc1cccc(NCc2cn(C)c[nH+]2)c1C ZINC000808402838 586471623 /nfs/dbraw/zinc/47/16/23/586471623.db2.gz FUTOLCRPNCWCBB-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO Cc1ccc(C[NH2+]C2(C(F)F)CCCC2)cn1 ZINC000808451721 586472741 /nfs/dbraw/zinc/47/27/41/586472741.db2.gz PVSPMPKUNBQLRV-UHFFFAOYSA-N 1 2 240.297 3.058 20 0 BGADLO FC(F)C(F)(F)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000808776463 586489699 /nfs/dbraw/zinc/48/96/99/586489699.db2.gz HYFJQIDAEBIMHD-SECBINFHSA-N 1 2 239.256 3.009 20 0 BGADLO FC(F)C(F)(F)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000808776463 586489698 /nfs/dbraw/zinc/48/96/98/586489698.db2.gz HYFJQIDAEBIMHD-SECBINFHSA-N 1 2 239.256 3.009 20 0 BGADLO FC(F)C(F)(F)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000808776464 586489881 /nfs/dbraw/zinc/48/98/81/586489881.db2.gz HYFJQIDAEBIMHD-VIFPVBQESA-N 1 2 239.256 3.009 20 0 BGADLO FC(F)C(F)(F)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000808776464 586489880 /nfs/dbraw/zinc/48/98/80/586489880.db2.gz HYFJQIDAEBIMHD-VIFPVBQESA-N 1 2 239.256 3.009 20 0 BGADLO CCC(CC)[N@@H+](CC)CC(F)(F)C(F)F ZINC000808781795 586489466 /nfs/dbraw/zinc/48/94/66/586489466.db2.gz RCXDFUOKCLQUFN-UHFFFAOYSA-N 1 2 229.261 3.397 20 0 BGADLO CCC(CC)[N@H+](CC)CC(F)(F)C(F)F ZINC000808781795 586489465 /nfs/dbraw/zinc/48/94/65/586489465.db2.gz RCXDFUOKCLQUFN-UHFFFAOYSA-N 1 2 229.261 3.397 20 0 BGADLO CCc1ccccc1C[N@H+]1Cc2ccncc2C1 ZINC000809565129 586507333 /nfs/dbraw/zinc/50/73/33/586507333.db2.gz UUOCIWHQMCYIKO-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO CCc1ccccc1C[N@@H+]1Cc2ccncc2C1 ZINC000809565129 586507332 /nfs/dbraw/zinc/50/73/32/586507332.db2.gz UUOCIWHQMCYIKO-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO Cc1cc(C)cc(C[N@H+]2Cc3ccncc3C2)c1 ZINC000809565248 586506995 /nfs/dbraw/zinc/50/69/95/586506995.db2.gz ZJIKBRCQNXVSRG-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO Cc1cc(C)cc(C[N@@H+]2Cc3ccncc3C2)c1 ZINC000809565248 586506994 /nfs/dbraw/zinc/50/69/94/586506994.db2.gz ZJIKBRCQNXVSRG-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO C[C@H](c1cccc(F)c1)[N@H+]1Cc2ccncc2C1 ZINC000809565434 586507313 /nfs/dbraw/zinc/50/73/13/586507313.db2.gz GHXPWQGGYVFIAV-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H](c1cccc(F)c1)[N@@H+]1Cc2ccncc2C1 ZINC000809565434 586507311 /nfs/dbraw/zinc/50/73/11/586507311.db2.gz GHXPWQGGYVFIAV-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1cccc(F)c1)[N@H+]1Cc2ccncc2C1 ZINC000809565435 586507135 /nfs/dbraw/zinc/50/71/35/586507135.db2.gz GHXPWQGGYVFIAV-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1cccc(F)c1)[N@@H+]1Cc2ccncc2C1 ZINC000809565435 586507134 /nfs/dbraw/zinc/50/71/34/586507134.db2.gz GHXPWQGGYVFIAV-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO Cc1cc(C[N@H+]2Cc3ccncc3C2)c(C)s1 ZINC000809565493 586507379 /nfs/dbraw/zinc/50/73/79/586507379.db2.gz IPZFPGSYQUNSGU-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO Cc1cc(C[N@@H+]2Cc3ccncc3C2)c(C)s1 ZINC000809565493 586507378 /nfs/dbraw/zinc/50/73/78/586507378.db2.gz IPZFPGSYQUNSGU-UHFFFAOYSA-N 1 2 244.363 3.276 20 0 BGADLO CCc1cccc(C[N@H+]2Cc3ccncc3C2)c1 ZINC000809565550 586507265 /nfs/dbraw/zinc/50/72/65/586507265.db2.gz KNFYAXNYYDKKQJ-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO CCc1cccc(C[N@@H+]2Cc3ccncc3C2)c1 ZINC000809565550 586507263 /nfs/dbraw/zinc/50/72/63/586507263.db2.gz KNFYAXNYYDKKQJ-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO CC[C@@H]1CC[C@@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000809714356 586514580 /nfs/dbraw/zinc/51/45/80/586514580.db2.gz GEJNMDNQMWTADH-DOMZBBRYSA-N 1 2 249.354 3.048 20 0 BGADLO CC[C@@H]1CC[C@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000809714357 586514614 /nfs/dbraw/zinc/51/46/14/586514614.db2.gz GEJNMDNQMWTADH-IUODEOHRSA-N 1 2 249.354 3.048 20 0 BGADLO CC[C@H]1CC[C@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000809714358 586514276 /nfs/dbraw/zinc/51/42/76/586514276.db2.gz GEJNMDNQMWTADH-SWLSCSKDSA-N 1 2 249.354 3.048 20 0 BGADLO CC[C@H]1CC[C@@H]1[NH2+]c1ccc(OCCCO)cc1 ZINC000809714359 586514148 /nfs/dbraw/zinc/51/41/48/586514148.db2.gz GEJNMDNQMWTADH-WFASDCNBSA-N 1 2 249.354 3.048 20 0 BGADLO CC1(C)CC([NH2+]c2ccc(OCCCO)cc2)C1 ZINC000809714936 586514650 /nfs/dbraw/zinc/51/46/50/586514650.db2.gz VZGWWHYMMAUPBM-UHFFFAOYSA-N 1 2 249.354 3.048 20 0 BGADLO C[C@H]1C[N@@H+](C/C(Cl)=C/Cl)CCC1(F)F ZINC000810044995 586532491 /nfs/dbraw/zinc/53/24/91/586532491.db2.gz YSUKBOYNYDGNTP-OJKBXMANSA-N 1 2 244.112 3.283 20 0 BGADLO C[C@H]1C[N@H+](C/C(Cl)=C/Cl)CCC1(F)F ZINC000810044995 586532490 /nfs/dbraw/zinc/53/24/90/586532490.db2.gz YSUKBOYNYDGNTP-OJKBXMANSA-N 1 2 244.112 3.283 20 0 BGADLO C[C@H]1C[N@@H+](C/C(Cl)=C\Cl)CCC1(F)F ZINC000810044996 586532448 /nfs/dbraw/zinc/53/24/48/586532448.db2.gz YSUKBOYNYDGNTP-PUSOHNNWSA-N 1 2 244.112 3.283 20 0 BGADLO C[C@H]1C[N@H+](C/C(Cl)=C\Cl)CCC1(F)F ZINC000810044996 586532446 /nfs/dbraw/zinc/53/24/46/586532446.db2.gz YSUKBOYNYDGNTP-PUSOHNNWSA-N 1 2 244.112 3.283 20 0 BGADLO C[C@@H]1C[N@@H+](C/C(Cl)=C/Cl)CCC1(F)F ZINC000810044997 586532844 /nfs/dbraw/zinc/53/28/44/586532844.db2.gz YSUKBOYNYDGNTP-UDGZVJEDSA-N 1 2 244.112 3.283 20 0 BGADLO C[C@@H]1C[N@H+](C/C(Cl)=C/Cl)CCC1(F)F ZINC000810044997 586532843 /nfs/dbraw/zinc/53/28/43/586532843.db2.gz YSUKBOYNYDGNTP-UDGZVJEDSA-N 1 2 244.112 3.283 20 0 BGADLO C[C@@H]1C[N@@H+](C/C(Cl)=C\Cl)CCC1(F)F ZINC000810044998 586532809 /nfs/dbraw/zinc/53/28/09/586532809.db2.gz YSUKBOYNYDGNTP-VKDKVYATSA-N 1 2 244.112 3.283 20 0 BGADLO C[C@@H]1C[N@H+](C/C(Cl)=C\Cl)CCC1(F)F ZINC000810044998 586532807 /nfs/dbraw/zinc/53/28/07/586532807.db2.gz YSUKBOYNYDGNTP-VKDKVYATSA-N 1 2 244.112 3.283 20 0 BGADLO CCCC[C@@H](C)[N@@H+](C)CC(F)(F)C(F)F ZINC000810125009 586534955 /nfs/dbraw/zinc/53/49/55/586534955.db2.gz MEGKGQDIVKJFDL-MRVPVSSYSA-N 1 2 229.261 3.397 20 0 BGADLO CCCC[C@@H](C)[N@H+](C)CC(F)(F)C(F)F ZINC000810125009 586534953 /nfs/dbraw/zinc/53/49/53/586534953.db2.gz MEGKGQDIVKJFDL-MRVPVSSYSA-N 1 2 229.261 3.397 20 0 BGADLO CCCC[C@H](C)[N@@H+](C)CC(F)(F)C(F)F ZINC000810125010 586534789 /nfs/dbraw/zinc/53/47/89/586534789.db2.gz MEGKGQDIVKJFDL-QMMMGPOBSA-N 1 2 229.261 3.397 20 0 BGADLO CCCC[C@H](C)[N@H+](C)CC(F)(F)C(F)F ZINC000810125010 586534788 /nfs/dbraw/zinc/53/47/88/586534788.db2.gz MEGKGQDIVKJFDL-QMMMGPOBSA-N 1 2 229.261 3.397 20 0 BGADLO Cc1cc([C@@H](C)[NH2+]Cc2c(C)cccc2F)no1 ZINC000810220468 586537184 /nfs/dbraw/zinc/53/71/84/586537184.db2.gz YGWLDOITRZPRKO-LLVKDONJSA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc([C@H](C)[NH2+]Cc2c(C)cccc2F)no1 ZINC000810220469 586537588 /nfs/dbraw/zinc/53/75/88/586537588.db2.gz YGWLDOITRZPRKO-NSHDSACASA-N 1 2 248.301 3.281 20 0 BGADLO CC1(C)CC[N@H+]1Cc1ccnc(Cl)c1Cl ZINC000811464375 586559400 /nfs/dbraw/zinc/55/94/00/586559400.db2.gz VLCXATGXVKQHGK-UHFFFAOYSA-N 1 2 245.153 3.373 20 0 BGADLO CC1(C)CC[N@@H+]1Cc1ccnc(Cl)c1Cl ZINC000811464375 586559399 /nfs/dbraw/zinc/55/93/99/586559399.db2.gz VLCXATGXVKQHGK-UHFFFAOYSA-N 1 2 245.153 3.373 20 0 BGADLO Clc1nccc(C[N@@H+]2CC=CCC2)c1Cl ZINC000811488140 586559832 /nfs/dbraw/zinc/55/98/32/586559832.db2.gz LWIHTXZFABQQFP-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO Clc1nccc(C[N@H+]2CC=CCC2)c1Cl ZINC000811488140 586559831 /nfs/dbraw/zinc/55/98/31/586559831.db2.gz LWIHTXZFABQQFP-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccnc(Cl)c1Cl ZINC000811498368 586559846 /nfs/dbraw/zinc/55/98/46/586559846.db2.gz SQSJHIDETCHKMM-HTQZYQBOSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccnc(Cl)c1Cl ZINC000811498369 586560073 /nfs/dbraw/zinc/56/00/73/586560073.db2.gz SQSJHIDETCHKMM-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccnc(Cl)c1Cl ZINC000811498369 586560072 /nfs/dbraw/zinc/56/00/72/586560072.db2.gz SQSJHIDETCHKMM-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1ccnc(Cl)c1Cl ZINC000811498370 586559817 /nfs/dbraw/zinc/55/98/17/586559817.db2.gz SQSJHIDETCHKMM-YUMQZZPRSA-N 1 2 245.153 3.371 20 0 BGADLO Cc1ccc(COC(=O)CCCC2CC2)c(C)[nH+]1 ZINC000812600479 586580020 /nfs/dbraw/zinc/58/00/20/586580020.db2.gz AGTQGSFHEROGBG-UHFFFAOYSA-N 1 2 247.338 3.322 20 0 BGADLO CCC[C@@H]1C[C@H]1C(=O)OCc1ccc(C)[nH+]c1C ZINC000812635806 586581253 /nfs/dbraw/zinc/58/12/53/586581253.db2.gz GSDRHTVFTXZNIS-TZMCWYRMSA-N 1 2 247.338 3.178 20 0 BGADLO COCC1(C[N@@H+](C)c2ccc(C)cc2)CCC1 ZINC000812824694 586587559 /nfs/dbraw/zinc/58/75/59/586587559.db2.gz FJEBIJMUXCMNHI-UHFFFAOYSA-N 1 2 233.355 3.248 20 0 BGADLO COCC1(C[N@H+](C)c2ccc(C)cc2)CCC1 ZINC000812824694 586587558 /nfs/dbraw/zinc/58/75/58/586587558.db2.gz FJEBIJMUXCMNHI-UHFFFAOYSA-N 1 2 233.355 3.248 20 0 BGADLO CC(C)c1nc(N2CCC(C3CC3)CC2)cc[nH+]1 ZINC000813617570 586604479 /nfs/dbraw/zinc/60/44/79/586604479.db2.gz BEYQWEBJNBOEAM-UHFFFAOYSA-N 1 2 245.370 3.226 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccoc2)[C@H]1c1cccnc1 ZINC000814170638 586615509 /nfs/dbraw/zinc/61/55/09/586615509.db2.gz AXJWAKUHPNHULE-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccoc2)[C@H]1c1cccnc1 ZINC000814170638 586615508 /nfs/dbraw/zinc/61/55/08/586615508.db2.gz AXJWAKUHPNHULE-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccoc2)[C@@H]1c1cccnc1 ZINC000814170639 586615330 /nfs/dbraw/zinc/61/53/30/586615330.db2.gz AXJWAKUHPNHULE-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccoc2)[C@@H]1c1cccnc1 ZINC000814170639 586615329 /nfs/dbraw/zinc/61/53/29/586615329.db2.gz AXJWAKUHPNHULE-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO Cc1ccoc1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC000814174313 586615446 /nfs/dbraw/zinc/61/54/46/586615446.db2.gz CVBVORLGDILELB-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Cc1ccoc1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC000814174313 586615445 /nfs/dbraw/zinc/61/54/45/586615445.db2.gz CVBVORLGDILELB-UHFFFAOYSA-N 1 2 246.310 3.085 20 0 BGADLO Clc1ccc(COc2cc[nH+]cc2)s1 ZINC000814265726 586620876 /nfs/dbraw/zinc/62/08/76/586620876.db2.gz PYENJQFMMMPAKD-UHFFFAOYSA-N 1 2 225.700 3.376 20 0 BGADLO CC(C)Oc1ccc(COc2cc[nH+]cc2)cc1 ZINC000814266120 586620900 /nfs/dbraw/zinc/62/09/00/586620900.db2.gz WKOHLVLMPJZCQK-UHFFFAOYSA-N 1 2 243.306 3.448 20 0 BGADLO FCc1ccc(COc2cc[nH+]cc2)cc1 ZINC000814266236 586621063 /nfs/dbraw/zinc/62/10/63/586621063.db2.gz ZONRRYOVQAMPSD-UHFFFAOYSA-N 1 2 217.243 3.130 20 0 BGADLO Cc1ccc([N@@H+](C)CCC2CCOCC2)cc1 ZINC000814621988 586626669 /nfs/dbraw/zinc/62/66/69/586626669.db2.gz QVDCVBFZJVQTQY-UHFFFAOYSA-N 1 2 233.355 3.248 20 0 BGADLO Cc1ccc([N@H+](C)CCC2CCOCC2)cc1 ZINC000814621988 586626667 /nfs/dbraw/zinc/62/66/67/586626667.db2.gz QVDCVBFZJVQTQY-UHFFFAOYSA-N 1 2 233.355 3.248 20 0 BGADLO COc1c(C)cc(C[NH2+]CC(C)(F)F)cc1C ZINC000815146968 586670293 /nfs/dbraw/zinc/67/02/93/586670293.db2.gz NJLIVLAXOVUELK-UHFFFAOYSA-N 1 2 243.297 3.057 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)nc(Cl)c2)[C@@H]1C ZINC000815163098 586671362 /nfs/dbraw/zinc/67/13/62/586671362.db2.gz LNNMLMQSHVFLQA-HTQZYQBOSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cc(Cl)nc(Cl)c2)[C@@H]1C ZINC000815163098 586671360 /nfs/dbraw/zinc/67/13/60/586671360.db2.gz LNNMLMQSHVFLQA-HTQZYQBOSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000815163112 586671657 /nfs/dbraw/zinc/67/16/57/586671657.db2.gz LNNMLMQSHVFLQA-JGVFFNPUSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(Cl)nc(Cl)c1 ZINC000815163112 586671656 /nfs/dbraw/zinc/67/16/56/586671656.db2.gz LNNMLMQSHVFLQA-JGVFFNPUSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cc(Cl)nc(Cl)c2)[C@H]1C ZINC000815163114 586671185 /nfs/dbraw/zinc/67/11/85/586671185.db2.gz LNNMLMQSHVFLQA-SFYZADRCSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cc(Cl)nc(Cl)c2)[C@H]1C ZINC000815163114 586671184 /nfs/dbraw/zinc/67/11/84/586671184.db2.gz LNNMLMQSHVFLQA-SFYZADRCSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@H]1C[N@@H+](Cc2cc(Cl)nc(Cl)c2)[C@H]1C ZINC000815163116 586671567 /nfs/dbraw/zinc/67/15/67/586671567.db2.gz LNNMLMQSHVFLQA-YUMQZZPRSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@H]1C[N@H+](Cc2cc(Cl)nc(Cl)c2)[C@H]1C ZINC000815163116 586671566 /nfs/dbraw/zinc/67/15/66/586671566.db2.gz LNNMLMQSHVFLQA-YUMQZZPRSA-N 1 2 245.153 3.229 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1COC(=O)[C@H]1C[C@H]1C ZINC000815172878 584973394 /nfs/dbraw/zinc/97/33/94/584973394.db2.gz XAERJVZUDWUKMF-MFKMUULPSA-N 1 2 247.338 3.213 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1COC(=O)[C@@H]1C[C@H]1C ZINC000815172879 584973363 /nfs/dbraw/zinc/97/33/63/584973363.db2.gz XAERJVZUDWUKMF-ZWNOBZJWSA-N 1 2 247.338 3.213 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000815594967 586688880 /nfs/dbraw/zinc/68/88/80/586688880.db2.gz DKWSJEABBGOJDV-LLVKDONJSA-N 1 2 247.317 3.016 20 0 BGADLO Cc1[nH]ncc1C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000815594968 586688643 /nfs/dbraw/zinc/68/86/43/586688643.db2.gz DKWSJEABBGOJDV-NSHDSACASA-N 1 2 247.317 3.016 20 0 BGADLO CCOc1cccc([C@H](C)[NH2+]CC(C)(F)F)c1 ZINC000815644819 586690388 /nfs/dbraw/zinc/69/03/88/586690388.db2.gz MYCVUIXXTCULSP-JTQLQIEISA-N 1 2 243.297 3.391 20 0 BGADLO CCOc1cccc([C@@H](C)[NH2+]CC(C)(F)F)c1 ZINC000815644820 586690172 /nfs/dbraw/zinc/69/01/72/586690172.db2.gz MYCVUIXXTCULSP-SNVBAGLBSA-N 1 2 243.297 3.391 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccoc2)[C@H]1c1ccncc1 ZINC000816621961 586745433 /nfs/dbraw/zinc/74/54/33/586745433.db2.gz SYVZMRCTTQQRLR-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccoc2)[C@H]1c1ccncc1 ZINC000816621961 586745432 /nfs/dbraw/zinc/74/54/32/586745432.db2.gz SYVZMRCTTQQRLR-AWEZNQCLSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@@H+](Cc2ccoc2)[C@@H]1c1ccncc1 ZINC000816621962 586745468 /nfs/dbraw/zinc/74/54/68/586745468.db2.gz SYVZMRCTTQQRLR-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO CC1(C)C[N@H+](Cc2ccoc2)[C@@H]1c1ccncc1 ZINC000816621962 586745467 /nfs/dbraw/zinc/74/54/67/586745467.db2.gz SYVZMRCTTQQRLR-CQSZACIVSA-N 1 2 242.322 3.258 20 0 BGADLO C[N@@H+](CCF)Cc1cc(Cl)ccc1Cl ZINC000816640702 586747987 /nfs/dbraw/zinc/74/79/87/586747987.db2.gz SVYOGFBKMHIJOY-UHFFFAOYSA-N 1 2 236.117 3.395 20 0 BGADLO C[N@H+](CCF)Cc1cc(Cl)ccc1Cl ZINC000816640702 586747986 /nfs/dbraw/zinc/74/79/86/586747986.db2.gz SVYOGFBKMHIJOY-UHFFFAOYSA-N 1 2 236.117 3.395 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)s2)[C@@H]1C ZINC000816647995 586750552 /nfs/dbraw/zinc/75/05/52/586750552.db2.gz CBTWBAPZLCACHU-NXEZZACHSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)s2)[C@@H]1C ZINC000816647995 586750551 /nfs/dbraw/zinc/75/05/51/586750551.db2.gz CBTWBAPZLCACHU-NXEZZACHSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@H]1C[N@@H+](Cc2ncc(C(C)(C)C)s2)[C@H]1C ZINC000816647996 586750803 /nfs/dbraw/zinc/75/08/03/586750803.db2.gz CBTWBAPZLCACHU-UWVGGRQHSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@H]1C[N@H+](Cc2ncc(C(C)(C)C)s2)[C@H]1C ZINC000816647996 586750802 /nfs/dbraw/zinc/75/08/02/586750802.db2.gz CBTWBAPZLCACHU-UWVGGRQHSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000816647997 586749919 /nfs/dbraw/zinc/74/99/19/586749919.db2.gz CBTWBAPZLCACHU-VHSXEESVSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ncc(C(C)(C)C)s1 ZINC000816647997 586749916 /nfs/dbraw/zinc/74/99/16/586749916.db2.gz CBTWBAPZLCACHU-VHSXEESVSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ncc(C(C)(C)C)s2)[C@H]1C ZINC000816647998 586750909 /nfs/dbraw/zinc/75/09/09/586750909.db2.gz CBTWBAPZLCACHU-ZJUUUORDSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ncc(C(C)(C)C)s2)[C@H]1C ZINC000816647998 586750907 /nfs/dbraw/zinc/75/09/07/586750907.db2.gz CBTWBAPZLCACHU-ZJUUUORDSA-N 1 2 238.400 3.281 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2Cl)[C@@H]1C ZINC000816649138 586751164 /nfs/dbraw/zinc/75/11/64/586751164.db2.gz UVTSNZJPHFDDSS-HTQZYQBOSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2Cl)[C@@H]1C ZINC000816649138 586751162 /nfs/dbraw/zinc/75/11/62/586751162.db2.gz UVTSNZJPHFDDSS-HTQZYQBOSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccnc(Cl)c1Cl ZINC000816649139 586751825 /nfs/dbraw/zinc/75/18/25/586751825.db2.gz UVTSNZJPHFDDSS-JGVFFNPUSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccnc(Cl)c1Cl ZINC000816649139 586751823 /nfs/dbraw/zinc/75/18/23/586751823.db2.gz UVTSNZJPHFDDSS-JGVFFNPUSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2ccnc(Cl)c2Cl)[C@H]1C ZINC000816649140 586751965 /nfs/dbraw/zinc/75/19/65/586751965.db2.gz UVTSNZJPHFDDSS-SFYZADRCSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@@H]1C[N@H+](Cc2ccnc(Cl)c2Cl)[C@H]1C ZINC000816649140 586751963 /nfs/dbraw/zinc/75/19/63/586751963.db2.gz UVTSNZJPHFDDSS-SFYZADRCSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@H]1C[N@@H+](Cc2ccnc(Cl)c2Cl)[C@H]1C ZINC000816649141 586752001 /nfs/dbraw/zinc/75/20/01/586752001.db2.gz UVTSNZJPHFDDSS-YUMQZZPRSA-N 1 2 245.153 3.229 20 0 BGADLO C[C@H]1C[N@H+](Cc2ccnc(Cl)c2Cl)[C@H]1C ZINC000816649141 586752000 /nfs/dbraw/zinc/75/20/00/586752000.db2.gz UVTSNZJPHFDDSS-YUMQZZPRSA-N 1 2 245.153 3.229 20 0 BGADLO CCc1nocc1C[N@@H+](C)Cc1cc(C)oc1C ZINC000816652536 586752858 /nfs/dbraw/zinc/75/28/58/586752858.db2.gz MZGJDESBTXGKQN-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1nocc1C[N@H+](C)Cc1cc(C)oc1C ZINC000816652536 586752857 /nfs/dbraw/zinc/75/28/57/586752857.db2.gz MZGJDESBTXGKQN-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCC(=CC(=O)NCc1cc(C)[nH+]c(C)c1)CC ZINC000817458060 644983005 /nfs/dbraw/zinc/98/30/05/644983005.db2.gz AWXUPZKMDAMOSN-UHFFFAOYSA-N 1 2 246.354 3.061 20 0 BGADLO CC/C(C)=C(\C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458829 644984061 /nfs/dbraw/zinc/98/40/61/644984061.db2.gz LTEHTLCKQSDVOF-JLHYYAGUSA-N 1 2 246.354 3.061 20 0 BGADLO CC/C(C)=C(/C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817458831 644983376 /nfs/dbraw/zinc/98/33/76/644983376.db2.gz LTEHTLCKQSDVOF-RAXLEYEMSA-N 1 2 246.354 3.061 20 0 BGADLO CCCCCCC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817459171 644983948 /nfs/dbraw/zinc/98/39/48/644983948.db2.gz RHFNKDXPWSGLSU-UHFFFAOYSA-N 1 2 248.370 3.285 20 0 BGADLO CCC/C(C)=C\C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817459239 644983896 /nfs/dbraw/zinc/98/38/96/644983896.db2.gz UNRTVLODQHYDFR-XFFZJAGNSA-N 1 2 246.354 3.061 20 0 BGADLO CCC/C(C)=C/C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000817459240 644983979 /nfs/dbraw/zinc/98/39/79/644983979.db2.gz UNRTVLODQHYDFR-YRNVUSSQSA-N 1 2 246.354 3.061 20 0 BGADLO ClC1(Cl)C[C@H]1CCOc1cc[nH+]cc1 ZINC000818081554 586870917 /nfs/dbraw/zinc/87/09/17/586870917.db2.gz FGMLPPMRHWUPDG-MRVPVSSYSA-N 1 2 232.110 3.044 20 0 BGADLO ClC1(Cl)C[C@@H]1CCOc1cc[nH+]cc1 ZINC000818081558 586871122 /nfs/dbraw/zinc/87/11/22/586871122.db2.gz FGMLPPMRHWUPDG-QMMMGPOBSA-N 1 2 232.110 3.044 20 0 BGADLO CC(C)CCCCCC(=O)Nc1ccc(N)[nH+]c1 ZINC000818541263 586898948 /nfs/dbraw/zinc/89/89/48/586898948.db2.gz UTIPINUFGVWUAU-UHFFFAOYSA-N 1 2 249.358 3.209 20 0 BGADLO Cc1ccc(NC(=O)C(F)=C2CCC2)c(C)[nH+]1 ZINC000819376518 586958453 /nfs/dbraw/zinc/95/84/53/586958453.db2.gz ZBSZVHCIVWYXHP-UHFFFAOYSA-N 1 2 234.274 3.044 20 0 BGADLO C=C=CCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000820586000 587056257 /nfs/dbraw/zinc/05/62/57/587056257.db2.gz FYBLCCJHULBWSD-UHFFFAOYSA-N 1 2 231.343 3.476 20 0 BGADLO CCC[C@@H](CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000820756770 587070828 /nfs/dbraw/zinc/07/08/28/587070828.db2.gz RIQNTHPGPOVZFN-GFCCVEGCSA-N 1 2 234.343 3.463 20 0 BGADLO CCC[C@H](CC)C(=O)Nc1ccc(C)[nH+]c1C ZINC000820756771 587070491 /nfs/dbraw/zinc/07/04/91/587070491.db2.gz RIQNTHPGPOVZFN-LBPRGKRZSA-N 1 2 234.343 3.463 20 0 BGADLO Cc1ccc(N[C@@H]2CCCC[C@H]2CCCO)c[nH+]1 ZINC000820836909 587076033 /nfs/dbraw/zinc/07/60/33/587076033.db2.gz TUZXIKWEANNKJC-DZGCQCFKSA-N 1 2 248.370 3.133 20 0 BGADLO Cc1ccc(N[C@H]2CCCC[C@@H]2CCCO)c[nH+]1 ZINC000820836911 587076040 /nfs/dbraw/zinc/07/60/40/587076040.db2.gz TUZXIKWEANNKJC-HIFRSBDPSA-N 1 2 248.370 3.133 20 0 BGADLO Cc1ccc(N[C@@H]2CCCC[C@@H]2CCCO)c[nH+]1 ZINC000820836913 587076101 /nfs/dbraw/zinc/07/61/01/587076101.db2.gz TUZXIKWEANNKJC-UKRRQHHQSA-N 1 2 248.370 3.133 20 0 BGADLO Cc1ccc(N[C@H]2CCCC[C@H]2CCCO)c[nH+]1 ZINC000820836915 587075749 /nfs/dbraw/zinc/07/57/49/587075749.db2.gz TUZXIKWEANNKJC-ZFWWWQNUSA-N 1 2 248.370 3.133 20 0 BGADLO Nc1ccc(/C=C/c2ccc3ccccc3n2)c[nH+]1 ZINC000821021003 587088998 /nfs/dbraw/zinc/08/89/98/587088998.db2.gz AOTYCMDCECKCRZ-VMPITWQZSA-N 1 2 247.301 3.382 20 0 BGADLO Nc1ccc(/C=C\c2ccc3ccccc3n2)c[nH+]1 ZINC000821021004 587089218 /nfs/dbraw/zinc/08/92/18/587089218.db2.gz AOTYCMDCECKCRZ-YVMONPNESA-N 1 2 247.301 3.382 20 0 BGADLO Cc1ccc(COC(=O)C(F)=C2CCC2)c(C)[nH+]1 ZINC000821370944 587113259 /nfs/dbraw/zinc/11/32/59/587113259.db2.gz TWBUEUOHUUPQLN-UHFFFAOYSA-N 1 2 249.285 3.149 20 0 BGADLO CCC(C)=CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000822303155 587161400 /nfs/dbraw/zinc/16/14/00/587161400.db2.gz PGWKHKLCVCKHCW-CLFYSBASSA-N 1 2 243.310 3.166 20 0 BGADLO CCC(C)=CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000822303156 587161391 /nfs/dbraw/zinc/16/13/91/587161391.db2.gz PGWKHKLCVCKHCW-VQHVLOKHSA-N 1 2 243.310 3.166 20 0 BGADLO CS[C@@H]1CC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000822446122 587168424 /nfs/dbraw/zinc/16/84/24/587168424.db2.gz CPTZLUMDCIPGCK-CHWSQXEVSA-N 1 2 236.384 3.059 20 0 BGADLO CS[C@@H]1CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000822446122 587168422 /nfs/dbraw/zinc/16/84/22/587168422.db2.gz CPTZLUMDCIPGCK-CHWSQXEVSA-N 1 2 236.384 3.059 20 0 BGADLO CS[C@H]1CC[C@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000822446123 587168537 /nfs/dbraw/zinc/16/85/37/587168537.db2.gz CPTZLUMDCIPGCK-OLZOCXBDSA-N 1 2 236.384 3.059 20 0 BGADLO CS[C@H]1CC[C@H]1Nc1ccc([NH+](C)C)cc1 ZINC000822446123 587168536 /nfs/dbraw/zinc/16/85/36/587168536.db2.gz CPTZLUMDCIPGCK-OLZOCXBDSA-N 1 2 236.384 3.059 20 0 BGADLO CS[C@@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000822446124 587168712 /nfs/dbraw/zinc/16/87/12/587168712.db2.gz CPTZLUMDCIPGCK-QWHCGFSZSA-N 1 2 236.384 3.059 20 0 BGADLO CS[C@@H]1CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000822446124 587168711 /nfs/dbraw/zinc/16/87/11/587168711.db2.gz CPTZLUMDCIPGCK-QWHCGFSZSA-N 1 2 236.384 3.059 20 0 BGADLO CS[C@H]1CC[C@@H]1[NH2+]c1ccc(N(C)C)cc1 ZINC000822446125 587168400 /nfs/dbraw/zinc/16/84/00/587168400.db2.gz CPTZLUMDCIPGCK-STQMWFEESA-N 1 2 236.384 3.059 20 0 BGADLO CS[C@H]1CC[C@@H]1Nc1ccc([NH+](C)C)cc1 ZINC000822446125 587168398 /nfs/dbraw/zinc/16/83/98/587168398.db2.gz CPTZLUMDCIPGCK-STQMWFEESA-N 1 2 236.384 3.059 20 0 BGADLO Cc1ccc(N(C)Cc2c[nH+]cn2C(C)C)cc1 ZINC000822470612 587170022 /nfs/dbraw/zinc/17/00/22/587170022.db2.gz USANYKHMYFJMTG-UHFFFAOYSA-N 1 2 243.354 3.409 20 0 BGADLO CCC[C@@H](CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000822593498 587177161 /nfs/dbraw/zinc/17/71/61/587177161.db2.gz DHCRFFZNRIKIQR-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CCC[C@H](CC)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000822593499 587177143 /nfs/dbraw/zinc/17/71/43/587177143.db2.gz DHCRFFZNRIKIQR-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO Cc1cc(C)c(NC(=O)C(F)=C2CCC2)c(C)[nH+]1 ZINC000822747339 587183875 /nfs/dbraw/zinc/18/38/75/587183875.db2.gz VOTPECQLCPWZPL-UHFFFAOYSA-N 1 2 248.301 3.353 20 0 BGADLO FC1=CCC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822807800 587186940 /nfs/dbraw/zinc/18/69/40/587186940.db2.gz HKTWDFQGAFXFRD-MRVPVSSYSA-N 1 2 238.133 3.129 20 0 BGADLO FC1=CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000822807800 587186938 /nfs/dbraw/zinc/18/69/38/587186938.db2.gz HKTWDFQGAFXFRD-MRVPVSSYSA-N 1 2 238.133 3.129 20 0 BGADLO FC1=CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822807801 587187243 /nfs/dbraw/zinc/18/72/43/587187243.db2.gz HKTWDFQGAFXFRD-QMMMGPOBSA-N 1 2 238.133 3.129 20 0 BGADLO FC1=CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000822807801 587187242 /nfs/dbraw/zinc/18/72/42/587187242.db2.gz HKTWDFQGAFXFRD-QMMMGPOBSA-N 1 2 238.133 3.129 20 0 BGADLO FCc1ccc(C[N@H+]2Cc3cccnc3C2)cc1 ZINC000823000460 587197819 /nfs/dbraw/zinc/19/78/19/587197819.db2.gz BCXIEVXERSQMHI-UHFFFAOYSA-N 1 2 242.297 3.067 20 0 BGADLO FCc1ccc(C[N@@H+]2Cc3cccnc3C2)cc1 ZINC000823000460 587197818 /nfs/dbraw/zinc/19/78/18/587197818.db2.gz BCXIEVXERSQMHI-UHFFFAOYSA-N 1 2 242.297 3.067 20 0 BGADLO CC1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823379479 587219060 /nfs/dbraw/zinc/21/90/60/587219060.db2.gz MERJKNCHPGBQMD-UHFFFAOYSA-N 1 2 242.725 3.106 20 0 BGADLO Fc1c(C[NH+]2C3CCC2CC3)ccnc1Cl ZINC000823394988 587219565 /nfs/dbraw/zinc/21/95/65/587219565.db2.gz IBKXFUPGXLCCLI-UHFFFAOYSA-N 1 2 240.709 3.001 20 0 BGADLO CCC[C@@H](CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000823446428 587222513 /nfs/dbraw/zinc/22/25/13/587222513.db2.gz FNAWOZNCWYAKCA-CYBMUJFWSA-N 1 2 248.370 3.141 20 0 BGADLO CCC[C@H](CC)C(=O)NCc1c[nH+]c(C)cc1C ZINC000823446429 587222579 /nfs/dbraw/zinc/22/25/79/587222579.db2.gz FNAWOZNCWYAKCA-ZDUSSCGKSA-N 1 2 248.370 3.141 20 0 BGADLO CC1=CC[N@@H+](Cc2ccnc(Cl)c2F)CC1 ZINC000823458988 587223433 /nfs/dbraw/zinc/22/34/33/587223433.db2.gz LNSKPFDJMPOOGP-UHFFFAOYSA-N 1 2 240.709 3.026 20 0 BGADLO CC1=CC[N@H+](Cc2ccnc(Cl)c2F)CC1 ZINC000823458988 587223432 /nfs/dbraw/zinc/22/34/32/587223432.db2.gz LNSKPFDJMPOOGP-UHFFFAOYSA-N 1 2 240.709 3.026 20 0 BGADLO C[C@@H]1CC[N@@H+](CC(F)(F)C(F)F)[C@H](C)C1 ZINC000823515522 587228739 /nfs/dbraw/zinc/22/87/39/587228739.db2.gz LFQZZEIQBQDELA-HTQZYQBOSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1CC[N@H+](CC(F)(F)C(F)F)[C@H](C)C1 ZINC000823515522 587228738 /nfs/dbraw/zinc/22/87/38/587228738.db2.gz LFQZZEIQBQDELA-HTQZYQBOSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@H](Cc1ccoc1)[NH2+]c1ccc(N(C)C)cc1 ZINC000823529292 587229973 /nfs/dbraw/zinc/22/99/73/587229973.db2.gz KDIBDNLKZCLUHP-GFCCVEGCSA-N 1 2 244.338 3.389 20 0 BGADLO C[C@H](Cc1ccoc1)Nc1ccc([NH+](C)C)cc1 ZINC000823529292 587229972 /nfs/dbraw/zinc/22/99/72/587229972.db2.gz KDIBDNLKZCLUHP-GFCCVEGCSA-N 1 2 244.338 3.389 20 0 BGADLO C[C@@H](Cc1ccoc1)[NH2+]c1ccc(N(C)C)cc1 ZINC000823529293 587229273 /nfs/dbraw/zinc/22/92/73/587229273.db2.gz KDIBDNLKZCLUHP-LBPRGKRZSA-N 1 2 244.338 3.389 20 0 BGADLO C[C@@H](Cc1ccoc1)Nc1ccc([NH+](C)C)cc1 ZINC000823529293 587229272 /nfs/dbraw/zinc/22/92/72/587229272.db2.gz KDIBDNLKZCLUHP-LBPRGKRZSA-N 1 2 244.338 3.389 20 0 BGADLO CC[C@H]([NH2+]c1ccc(OC)c(CO)c1)C1CCC1 ZINC000823538955 587230089 /nfs/dbraw/zinc/23/00/89/587230089.db2.gz VFYZZMXDWNYRLU-AWEZNQCLSA-N 1 2 249.354 3.178 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(OC)c(CO)c1)C1CCC1 ZINC000823538961 587230169 /nfs/dbraw/zinc/23/01/69/587230169.db2.gz VFYZZMXDWNYRLU-CQSZACIVSA-N 1 2 249.354 3.178 20 0 BGADLO CC[C@H]([NH2+]c1ccc(OCCO)cc1)C1CCC1 ZINC000823549204 587230847 /nfs/dbraw/zinc/23/08/47/587230847.db2.gz JFQIGWMMJGQHOP-HNNXBMFYSA-N 1 2 249.354 3.048 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(OCCO)cc1)C1CCC1 ZINC000823549205 587230773 /nfs/dbraw/zinc/23/07/73/587230773.db2.gz JFQIGWMMJGQHOP-OAHLLOKOSA-N 1 2 249.354 3.048 20 0 BGADLO CC(C)[C@@H]1CC[N@H+]1Cc1ccnc(Cl)c1F ZINC000823573721 587231741 /nfs/dbraw/zinc/23/17/41/587231741.db2.gz QCOIOPHZZRRXOO-JTQLQIEISA-N 1 2 242.725 3.104 20 0 BGADLO CC(C)[C@@H]1CC[N@@H+]1Cc1ccnc(Cl)c1F ZINC000823573721 587231740 /nfs/dbraw/zinc/23/17/40/587231740.db2.gz QCOIOPHZZRRXOO-JTQLQIEISA-N 1 2 242.725 3.104 20 0 BGADLO CC(C)[C@H]1CC[N@H+]1Cc1ccnc(Cl)c1F ZINC000823573722 587231684 /nfs/dbraw/zinc/23/16/84/587231684.db2.gz QCOIOPHZZRRXOO-SNVBAGLBSA-N 1 2 242.725 3.104 20 0 BGADLO CC(C)[C@H]1CC[N@@H+]1Cc1ccnc(Cl)c1F ZINC000823573722 587231682 /nfs/dbraw/zinc/23/16/82/587231682.db2.gz QCOIOPHZZRRXOO-SNVBAGLBSA-N 1 2 242.725 3.104 20 0 BGADLO CCC[C@H](CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000823735159 587238589 /nfs/dbraw/zinc/23/85/89/587238589.db2.gz PTKGNRVIMCLZIU-AWEZNQCLSA-N 1 2 248.370 3.141 20 0 BGADLO CCC[C@@H](CC)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000823735160 587238523 /nfs/dbraw/zinc/23/85/23/587238523.db2.gz PTKGNRVIMCLZIU-CQSZACIVSA-N 1 2 248.370 3.141 20 0 BGADLO CC(C(=O)Nc1c(C)cc[nH+]c1C)=C1CCC1 ZINC000823836079 587241680 /nfs/dbraw/zinc/24/16/80/587241680.db2.gz BOFPAXKZJUPIHV-UHFFFAOYSA-N 1 2 230.311 3.137 20 0 BGADLO CCC(=CC(=O)Nc1c(C)cc[nH+]c1C)CC ZINC000823836198 587242246 /nfs/dbraw/zinc/24/22/46/587242246.db2.gz FRSJHAUWLIJAFD-UHFFFAOYSA-N 1 2 232.327 3.383 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C(F)=C1CCCC1 ZINC000823836454 587242038 /nfs/dbraw/zinc/24/20/38/587242038.db2.gz LVRDMNTXIZVROA-UHFFFAOYSA-N 1 2 248.301 3.435 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)/C=C1/CC[C@H](C)C1 ZINC000823836522 587242308 /nfs/dbraw/zinc/24/23/08/587242308.db2.gz NMHIYCWQHBOMSZ-AVMBBCFPSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)/C=C1/CC[C@@H](C)C1 ZINC000823836524 587242397 /nfs/dbraw/zinc/24/23/97/587242397.db2.gz NMHIYCWQHBOMSZ-PEHNMLCRSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000823836525 587242343 /nfs/dbraw/zinc/24/23/43/587242343.db2.gz NMHIYCWQHBOMSZ-QQMDNXKGSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)/C=C1\CC[C@H](C)C1 ZINC000823836526 587241953 /nfs/dbraw/zinc/24/19/53/587241953.db2.gz NMHIYCWQHBOMSZ-YWEFTTLKSA-N 1 2 244.338 3.383 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C(F)=C1CCC1 ZINC000823836654 587242272 /nfs/dbraw/zinc/24/22/72/587242272.db2.gz OEYALFAAXHEZFH-UHFFFAOYSA-N 1 2 234.274 3.044 20 0 BGADLO CC/C(C)=C(/C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836709 587242053 /nfs/dbraw/zinc/24/20/53/587242053.db2.gz PMFCXJXDTTUHFR-LUAWRHEFSA-N 1 2 232.327 3.383 20 0 BGADLO CC/C(C)=C(\C)C(=O)Nc1c(C)cc[nH+]c1C ZINC000823836710 587242446 /nfs/dbraw/zinc/24/24/46/587242446.db2.gz PMFCXJXDTTUHFR-PKNBQFBNSA-N 1 2 232.327 3.383 20 0 BGADLO CCC/C(C)=C\C(=O)Nc1c(C)cc[nH+]c1C ZINC000823841230 587242007 /nfs/dbraw/zinc/24/20/07/587242007.db2.gz JFNXYSMWYBIFAL-KTKRTIGZSA-N 1 2 232.327 3.383 20 0 BGADLO CCC/C(C)=C/C(=O)Nc1c(C)cc[nH+]c1C ZINC000823841231 587242389 /nfs/dbraw/zinc/24/23/89/587242389.db2.gz JFNXYSMWYBIFAL-MDZDMXLPSA-N 1 2 232.327 3.383 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@H](C)C1CC1 ZINC000823841330 587242137 /nfs/dbraw/zinc/24/21/37/587242137.db2.gz JQWLDUGNEWGYLU-JTQLQIEISA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H](C)C1CC1 ZINC000823841336 587241975 /nfs/dbraw/zinc/24/19/75/587241975.db2.gz JQWLDUGNEWGYLU-SNVBAGLBSA-N 1 2 232.327 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C=C1CCCC1 ZINC000823841495 587242189 /nfs/dbraw/zinc/24/21/89/587242189.db2.gz NYMTVADWMCUXRH-UHFFFAOYSA-N 1 2 230.311 3.137 20 0 BGADLO C[C@H](Cc1ccoc1)[NH2+]c1ccc2c(c1)CCO2 ZINC000823892655 587245704 /nfs/dbraw/zinc/24/57/04/587245704.db2.gz GDKQVMHACDUSOZ-LLVKDONJSA-N 1 2 243.306 3.258 20 0 BGADLO C[C@@H](Cc1ccoc1)[NH2+]c1ccc2c(c1)CCO2 ZINC000823892656 587245543 /nfs/dbraw/zinc/24/55/43/587245543.db2.gz GDKQVMHACDUSOZ-NSHDSACASA-N 1 2 243.306 3.258 20 0 BGADLO CC1=CCC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000824333419 587266597 /nfs/dbraw/zinc/26/65/97/587266597.db2.gz WPXWOMZFKLNOGT-UHFFFAOYSA-N 1 2 240.709 3.026 20 0 BGADLO CC1=CCC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000824333419 587266596 /nfs/dbraw/zinc/26/65/96/587266596.db2.gz WPXWOMZFKLNOGT-UHFFFAOYSA-N 1 2 240.709 3.026 20 0 BGADLO COc1cc2ccccc2cc1C[N@@H+](C)CCF ZINC000824439997 645055373 /nfs/dbraw/zinc/05/53/73/645055373.db2.gz ULRCUKNHVIPLOZ-UHFFFAOYSA-N 1 2 247.313 3.250 20 0 BGADLO COc1cc2ccccc2cc1C[N@H+](C)CCF ZINC000824439997 645055367 /nfs/dbraw/zinc/05/53/67/645055367.db2.gz ULRCUKNHVIPLOZ-UHFFFAOYSA-N 1 2 247.313 3.250 20 0 BGADLO CC[C@@H]([NH2+]Cc1cnc(Cl)c(C)c1)C(F)F ZINC000824509708 587272475 /nfs/dbraw/zinc/27/24/75/587272475.db2.gz MUOKGWDFKWRAPE-SECBINFHSA-N 1 2 248.704 3.177 20 0 BGADLO CC[C@H]([NH2+]Cc1cnc(Cl)c(C)c1)C(F)F ZINC000824509709 587272395 /nfs/dbraw/zinc/27/23/95/587272395.db2.gz MUOKGWDFKWRAPE-VIFPVBQESA-N 1 2 248.704 3.177 20 0 BGADLO CCCc1ccc(C[NH2+]C(CF)CF)cc1 ZINC000824549114 587275405 /nfs/dbraw/zinc/27/54/05/587275405.db2.gz YQXLWOYSYXYEPN-UHFFFAOYSA-N 1 2 227.298 3.036 20 0 BGADLO CC1(C)CC[N@H+]1Cc1ccc(F)c(F)c1F ZINC000824826215 587287646 /nfs/dbraw/zinc/28/76/46/587287646.db2.gz YAGOSMJBYVRSKU-UHFFFAOYSA-N 1 2 229.245 3.088 20 0 BGADLO CC1(C)CC[N@@H+]1Cc1ccc(F)c(F)c1F ZINC000824826215 587287645 /nfs/dbraw/zinc/28/76/45/587287645.db2.gz YAGOSMJBYVRSKU-UHFFFAOYSA-N 1 2 229.245 3.088 20 0 BGADLO CC(C)c1ccccc1C[N@@H+](C)Cc1cnc[nH]1 ZINC000826769085 587361641 /nfs/dbraw/zinc/36/16/41/587361641.db2.gz HMRVCEBZVCWOMG-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)c1ccccc1C[N@H+](C)Cc1cnc[nH]1 ZINC000826769085 587361640 /nfs/dbraw/zinc/36/16/40/587361640.db2.gz HMRVCEBZVCWOMG-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)c1nc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc[nH+]1 ZINC000826802786 587362897 /nfs/dbraw/zinc/36/28/97/587362897.db2.gz MSVSKHGVHBWWLU-IJLUTSLNSA-N 1 2 231.343 3.201 20 0 BGADLO CC(C)c1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)cc[nH+]1 ZINC000826802789 587362887 /nfs/dbraw/zinc/36/28/87/587362887.db2.gz MSVSKHGVHBWWLU-SDDRHHMPSA-N 1 2 231.343 3.201 20 0 BGADLO C1=CO[C@@H](CNc2c[nH+]cc3c2CCCC3)CC1 ZINC000826815468 587363151 /nfs/dbraw/zinc/36/31/51/587363151.db2.gz LKRXZYPRWQASRX-CYBMUJFWSA-N 1 2 244.338 3.065 20 0 BGADLO C1=CO[C@H](CNc2c[nH+]cc3c2CCCC3)CC1 ZINC000826815469 587363249 /nfs/dbraw/zinc/36/32/49/587363249.db2.gz LKRXZYPRWQASRX-ZDUSSCGKSA-N 1 2 244.338 3.065 20 0 BGADLO Cc1ccc([N@@H+](C)CC2CC(F)(F)C2)cc1 ZINC000827641730 587394041 /nfs/dbraw/zinc/39/40/41/587394041.db2.gz UKRMGECNKLPZGQ-UHFFFAOYSA-N 1 2 225.282 3.477 20 0 BGADLO Cc1ccc([N@H+](C)CC2CC(F)(F)C2)cc1 ZINC000827641730 587394039 /nfs/dbraw/zinc/39/40/39/587394039.db2.gz UKRMGECNKLPZGQ-UHFFFAOYSA-N 1 2 225.282 3.477 20 0 BGADLO Cc1ccc([N@@H+](C)CCC[C@H]2CCOC2)cc1 ZINC000827853352 587405860 /nfs/dbraw/zinc/40/58/60/587405860.db2.gz YRTPMJPZXZASRX-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO Cc1ccc([N@H+](C)CCC[C@H]2CCOC2)cc1 ZINC000827853352 587405859 /nfs/dbraw/zinc/40/58/59/587405859.db2.gz YRTPMJPZXZASRX-AWEZNQCLSA-N 1 2 233.355 3.248 20 0 BGADLO Cc1ccc([N@@H+](C)CCC[C@@H]2CCOC2)cc1 ZINC000827853353 587405963 /nfs/dbraw/zinc/40/59/63/587405963.db2.gz YRTPMJPZXZASRX-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO Cc1ccc([N@H+](C)CCC[C@@H]2CCOC2)cc1 ZINC000827853353 587405962 /nfs/dbraw/zinc/40/59/62/587405962.db2.gz YRTPMJPZXZASRX-CQSZACIVSA-N 1 2 233.355 3.248 20 0 BGADLO C[C@]1(C[N@H+]2CCC=C(F)C2)CC1(Cl)Cl ZINC000828615912 587454067 /nfs/dbraw/zinc/45/40/67/587454067.db2.gz ZVZHNSQLJHYVHC-SECBINFHSA-N 1 2 238.133 3.129 20 0 BGADLO C[C@]1(C[N@@H+]2CCC=C(F)C2)CC1(Cl)Cl ZINC000828615912 587454065 /nfs/dbraw/zinc/45/40/65/587454065.db2.gz ZVZHNSQLJHYVHC-SECBINFHSA-N 1 2 238.133 3.129 20 0 BGADLO C[C@@]1(C[N@H+]2CCC=C(F)C2)CC1(Cl)Cl ZINC000828615922 587453870 /nfs/dbraw/zinc/45/38/70/587453870.db2.gz ZVZHNSQLJHYVHC-VIFPVBQESA-N 1 2 238.133 3.129 20 0 BGADLO C[C@@]1(C[N@@H+]2CCC=C(F)C2)CC1(Cl)Cl ZINC000828615922 587453868 /nfs/dbraw/zinc/45/38/68/587453868.db2.gz ZVZHNSQLJHYVHC-VIFPVBQESA-N 1 2 238.133 3.129 20 0 BGADLO C[C@]1(CNc2cccc[nH+]2)CC1(Cl)Cl ZINC000828790853 587462360 /nfs/dbraw/zinc/46/23/60/587462360.db2.gz MBKNFHKIFOFANT-SECBINFHSA-N 1 2 231.126 3.077 20 0 BGADLO C[C@@]1(CNc2cccc[nH+]2)CC1(Cl)Cl ZINC000828790854 587462491 /nfs/dbraw/zinc/46/24/91/587462491.db2.gz MBKNFHKIFOFANT-VIFPVBQESA-N 1 2 231.126 3.077 20 0 BGADLO FC(F)C(F)(F)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000829029257 587479717 /nfs/dbraw/zinc/47/97/17/587479717.db2.gz GZCFSVJHAHMQPN-IUCAKERBSA-N 1 2 239.256 3.151 20 0 BGADLO FC(F)C(F)(F)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000829029257 587479716 /nfs/dbraw/zinc/47/97/16/587479716.db2.gz GZCFSVJHAHMQPN-IUCAKERBSA-N 1 2 239.256 3.151 20 0 BGADLO C[C@]1(CCNc2cccc[nH+]2)CC1(Cl)Cl ZINC000829058139 587481287 /nfs/dbraw/zinc/48/12/87/587481287.db2.gz FESTZIGJAAPHSM-JTQLQIEISA-N 1 2 245.153 3.468 20 0 BGADLO C[C@@]1(CCNc2cccc[nH+]2)CC1(Cl)Cl ZINC000829058140 587481195 /nfs/dbraw/zinc/48/11/95/587481195.db2.gz FESTZIGJAAPHSM-SNVBAGLBSA-N 1 2 245.153 3.468 20 0 BGADLO c1ccc(N2CCCCCCCC2)[nH+]c1 ZINC000829078222 587482471 /nfs/dbraw/zinc/48/24/71/587482471.db2.gz YWOAURZIJJYKET-UHFFFAOYSA-N 1 2 204.317 3.242 20 0 BGADLO Clc1nc(C[N@H+]2CCCC23CCC3)cs1 ZINC000829282925 587491497 /nfs/dbraw/zinc/49/14/97/587491497.db2.gz FROCNPVUTYYENW-UHFFFAOYSA-N 1 2 242.775 3.315 20 0 BGADLO Clc1nc(C[N@@H+]2CCCC23CCC3)cs1 ZINC000829282925 587491496 /nfs/dbraw/zinc/49/14/96/587491496.db2.gz FROCNPVUTYYENW-UHFFFAOYSA-N 1 2 242.775 3.315 20 0 BGADLO FC(F)(F)c1cc[nH+]c(N[C@@H]2C=CCC2)c1 ZINC000829346460 582857004 /nfs/dbraw/zinc/85/70/04/582857004.db2.gz CNRMKOFXXZSNSN-SECBINFHSA-N 1 2 228.217 3.231 20 0 BGADLO FC(F)(F)c1cc[nH+]c(N[C@H]2C=CCC2)c1 ZINC000829346462 582856807 /nfs/dbraw/zinc/85/68/07/582856807.db2.gz CNRMKOFXXZSNSN-VIFPVBQESA-N 1 2 228.217 3.231 20 0 BGADLO CC1=C[C@@H](C)C[N@@H+](Cc2csc(Cl)n2)C1 ZINC000829398035 587495937 /nfs/dbraw/zinc/49/59/37/587495937.db2.gz VHYCCSLEHZRDNR-MRVPVSSYSA-N 1 2 242.775 3.195 20 0 BGADLO CC1=C[C@@H](C)C[N@H+](Cc2csc(Cl)n2)C1 ZINC000829398035 587495935 /nfs/dbraw/zinc/49/59/35/587495935.db2.gz VHYCCSLEHZRDNR-MRVPVSSYSA-N 1 2 242.775 3.195 20 0 BGADLO CC1=C[C@H](C)C[N@@H+](Cc2csc(Cl)n2)C1 ZINC000829398036 587496001 /nfs/dbraw/zinc/49/60/01/587496001.db2.gz VHYCCSLEHZRDNR-QMMMGPOBSA-N 1 2 242.775 3.195 20 0 BGADLO CC1=C[C@H](C)C[N@H+](Cc2csc(Cl)n2)C1 ZINC000829398036 587495999 /nfs/dbraw/zinc/49/59/99/587495999.db2.gz VHYCCSLEHZRDNR-QMMMGPOBSA-N 1 2 242.775 3.195 20 0 BGADLO CC1=C(C2CCCCC2)N2CC[NH+]=C2S1 ZINC000829628149 587506817 /nfs/dbraw/zinc/50/68/17/587506817.db2.gz OCBZMTDCINAHIN-UHFFFAOYSA-N 1 2 222.357 3.217 20 0 BGADLO CC(C)(CC1=CSC2=[NH+]CCN12)C1CC1 ZINC000829628428 587506786 /nfs/dbraw/zinc/50/67/86/587506786.db2.gz YTNSNXWEZFKKII-UHFFFAOYSA-N 1 2 222.357 3.073 20 0 BGADLO c1cn(-c2ccc(CSC3CCC3)cn2)c[nH+]1 ZINC000829742291 587512754 /nfs/dbraw/zinc/51/27/54/587512754.db2.gz KQJGQPNCNLQQHC-UHFFFAOYSA-N 1 2 245.351 3.053 20 0 BGADLO C[N@@H+](CCC(C)(C)C)CC(F)(F)C(F)F ZINC000829932407 587528555 /nfs/dbraw/zinc/52/85/55/587528555.db2.gz HXXDDXHMLATXRS-UHFFFAOYSA-N 1 2 229.261 3.255 20 0 BGADLO C[N@H+](CCC(C)(C)C)CC(F)(F)C(F)F ZINC000829932407 587528553 /nfs/dbraw/zinc/52/85/53/587528553.db2.gz HXXDDXHMLATXRS-UHFFFAOYSA-N 1 2 229.261 3.255 20 0 BGADLO Cc1ccc(SCc2[nH+]ccn2C)s1 ZINC000830047985 587533808 /nfs/dbraw/zinc/53/38/08/587533808.db2.gz GFMKMSURUIWAJG-UHFFFAOYSA-N 1 2 224.354 3.082 20 0 BGADLO Cc1ccc(SCc2c[nH+]cn2C)s1 ZINC000830051552 587533654 /nfs/dbraw/zinc/53/36/54/587533654.db2.gz AJIUZINOCIKDCI-UHFFFAOYSA-N 1 2 224.354 3.082 20 0 BGADLO Cc1ccc(SCCCn2cc[nH+]c2)s1 ZINC000830052805 587534182 /nfs/dbraw/zinc/53/41/82/587534182.db2.gz QZIZWYJPYUPGFF-UHFFFAOYSA-N 1 2 238.381 3.435 20 0 BGADLO Cc1ccc(SCCn2cc[nH+]c2)s1 ZINC000830052837 587534289 /nfs/dbraw/zinc/53/42/89/587534289.db2.gz SGXKLIZUMGVSJM-UHFFFAOYSA-N 1 2 224.354 3.045 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000830211848 587541001 /nfs/dbraw/zinc/54/10/01/587541001.db2.gz DSMLBGGJEMXPRD-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000830211848 587540999 /nfs/dbraw/zinc/54/09/99/587540999.db2.gz DSMLBGGJEMXPRD-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC000830211849 587540901 /nfs/dbraw/zinc/54/09/01/587540901.db2.gz DSMLBGGJEMXPRD-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC000830211849 587540899 /nfs/dbraw/zinc/54/08/99/587540899.db2.gz DSMLBGGJEMXPRD-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO CC(C)c1cnc(C[N@H+]2CCC[C@@](C)(F)C2)o1 ZINC000830212856 587541821 /nfs/dbraw/zinc/54/18/21/587541821.db2.gz WDDJBNVWSQHQLT-CYBMUJFWSA-N 1 2 240.322 3.122 20 0 BGADLO CC(C)c1cnc(C[N@@H+]2CCC[C@@](C)(F)C2)o1 ZINC000830212856 587541820 /nfs/dbraw/zinc/54/18/20/587541820.db2.gz WDDJBNVWSQHQLT-CYBMUJFWSA-N 1 2 240.322 3.122 20 0 BGADLO CC(C)c1cnc(C[N@H+]2CCC[C@](C)(F)C2)o1 ZINC000830212857 587541446 /nfs/dbraw/zinc/54/14/46/587541446.db2.gz WDDJBNVWSQHQLT-ZDUSSCGKSA-N 1 2 240.322 3.122 20 0 BGADLO CC(C)c1cnc(C[N@@H+]2CCC[C@](C)(F)C2)o1 ZINC000830212857 587541444 /nfs/dbraw/zinc/54/14/44/587541444.db2.gz WDDJBNVWSQHQLT-ZDUSSCGKSA-N 1 2 240.322 3.122 20 0 BGADLO Cc1cc(Cl)c(NCc2cn(C)c[nH+]2)cc1C ZINC000830479616 587553751 /nfs/dbraw/zinc/55/37/51/587553751.db2.gz INMTZEPMYZXMFO-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO CCc1nc(C[NH2+][C@@H](C)c2ccccc2F)co1 ZINC000830653806 587562714 /nfs/dbraw/zinc/56/27/14/587562714.db2.gz LWZNIAGXEPISBO-JTQLQIEISA-N 1 2 248.301 3.227 20 0 BGADLO CCc1nc(C[NH2+][C@H](C)c2ccccc2F)co1 ZINC000830653811 587562905 /nfs/dbraw/zinc/56/29/05/587562905.db2.gz LWZNIAGXEPISBO-SNVBAGLBSA-N 1 2 248.301 3.227 20 0 BGADLO FCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000832278582 587653045 /nfs/dbraw/zinc/65/30/45/587653045.db2.gz SOIOYDGAJNCCNA-CYBMUJFWSA-N 1 2 247.317 3.059 20 0 BGADLO FCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000832278582 587653043 /nfs/dbraw/zinc/65/30/43/587653043.db2.gz SOIOYDGAJNCCNA-CYBMUJFWSA-N 1 2 247.317 3.059 20 0 BGADLO FCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000832278583 587652985 /nfs/dbraw/zinc/65/29/85/587652985.db2.gz SOIOYDGAJNCCNA-ZDUSSCGKSA-N 1 2 247.317 3.059 20 0 BGADLO FCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000832278583 587652983 /nfs/dbraw/zinc/65/29/83/587652983.db2.gz SOIOYDGAJNCCNA-ZDUSSCGKSA-N 1 2 247.317 3.059 20 0 BGADLO Cc1ccc([N@@H+](CC(C)C)CC2(C)COC2)cc1 ZINC000832360356 587656365 /nfs/dbraw/zinc/65/63/65/587656365.db2.gz OJJRPMHTZJATDC-UHFFFAOYSA-N 1 2 247.382 3.494 20 0 BGADLO Cc1ccc([N@H+](CC(C)C)CC2(C)COC2)cc1 ZINC000832360356 587656364 /nfs/dbraw/zinc/65/63/64/587656364.db2.gz OJJRPMHTZJATDC-UHFFFAOYSA-N 1 2 247.382 3.494 20 0 BGADLO CC[C@@H]1CC[C@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000832470043 587661837 /nfs/dbraw/zinc/66/18/37/587661837.db2.gz YUMQQJVRRHKENU-DTWKUNHWSA-N 1 2 241.272 3.397 20 0 BGADLO CC[C@@H]1CC[C@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000832470043 587661835 /nfs/dbraw/zinc/66/18/35/587661835.db2.gz YUMQQJVRRHKENU-DTWKUNHWSA-N 1 2 241.272 3.397 20 0 BGADLO FCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000832518159 587664399 /nfs/dbraw/zinc/66/43/99/587664399.db2.gz VEVLSJBLCJSENK-GFCCVEGCSA-N 1 2 229.245 3.071 20 0 BGADLO FCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000832518159 587664398 /nfs/dbraw/zinc/66/43/98/587664398.db2.gz VEVLSJBLCJSENK-GFCCVEGCSA-N 1 2 229.245 3.071 20 0 BGADLO FCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000832518161 587664552 /nfs/dbraw/zinc/66/45/52/587664552.db2.gz VEVLSJBLCJSENK-LBPRGKRZSA-N 1 2 229.245 3.071 20 0 BGADLO FCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000832518161 587664551 /nfs/dbraw/zinc/66/45/51/587664551.db2.gz VEVLSJBLCJSENK-LBPRGKRZSA-N 1 2 229.245 3.071 20 0 BGADLO C[C@@H]1CCC(C)(C)[N@H+]1CC(F)(F)C(F)F ZINC000832564084 587666242 /nfs/dbraw/zinc/66/62/42/587666242.db2.gz CDTXHEPCPWQFTF-SSDOTTSWSA-N 1 2 227.245 3.150 20 0 BGADLO C[C@@H]1CCC(C)(C)[N@@H+]1CC(F)(F)C(F)F ZINC000832564084 587666241 /nfs/dbraw/zinc/66/62/41/587666241.db2.gz CDTXHEPCPWQFTF-SSDOTTSWSA-N 1 2 227.245 3.150 20 0 BGADLO C[C@H]1CCC(C)(C)[N@H+]1CC(F)(F)C(F)F ZINC000832564085 587666441 /nfs/dbraw/zinc/66/64/41/587666441.db2.gz CDTXHEPCPWQFTF-ZETCQYMHSA-N 1 2 227.245 3.150 20 0 BGADLO C[C@H]1CCC(C)(C)[N@@H+]1CC(F)(F)C(F)F ZINC000832564085 587666440 /nfs/dbraw/zinc/66/64/40/587666440.db2.gz CDTXHEPCPWQFTF-ZETCQYMHSA-N 1 2 227.245 3.150 20 0 BGADLO COc1ccc([NH2+][C@H](C)Cc2ccoc2)cc1 ZINC000834702059 587764733 /nfs/dbraw/zinc/76/47/33/587764733.db2.gz IWGMWEJPITXWGW-LLVKDONJSA-N 1 2 231.295 3.331 20 0 BGADLO COc1ccc([NH2+][C@@H](C)Cc2ccoc2)cc1 ZINC000834702060 587764628 /nfs/dbraw/zinc/76/46/28/587764628.db2.gz IWGMWEJPITXWGW-NSHDSACASA-N 1 2 231.295 3.331 20 0 BGADLO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)nc1)C(F)F ZINC000834828789 584915221 /nfs/dbraw/zinc/91/52/21/584915221.db2.gz ZUZSEOJVOVXOIK-APPZFPTMSA-N 1 2 248.704 3.429 20 0 BGADLO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C(F)F ZINC000834828790 584915123 /nfs/dbraw/zinc/91/51/23/584915123.db2.gz ZUZSEOJVOVXOIK-CBAPKCEASA-N 1 2 248.704 3.429 20 0 BGADLO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C(F)F ZINC000834828791 584915073 /nfs/dbraw/zinc/91/50/73/584915073.db2.gz ZUZSEOJVOVXOIK-IONNQARKSA-N 1 2 248.704 3.429 20 0 BGADLO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)nc1)C(F)F ZINC000834828792 584915032 /nfs/dbraw/zinc/91/50/32/584915032.db2.gz ZUZSEOJVOVXOIK-VXNVDRBHSA-N 1 2 248.704 3.429 20 0 BGADLO CCc1nc(C[NH2+][C@@H](C)c2cccc(F)c2)co1 ZINC000834898663 587769716 /nfs/dbraw/zinc/76/97/16/587769716.db2.gz AYTHOQGMDWMQRI-JTQLQIEISA-N 1 2 248.301 3.227 20 0 BGADLO CCc1nc(C[NH2+][C@H](C)c2cccc(F)c2)co1 ZINC000834898664 587769718 /nfs/dbraw/zinc/76/97/18/587769718.db2.gz AYTHOQGMDWMQRI-SNVBAGLBSA-N 1 2 248.301 3.227 20 0 BGADLO CCc1nc(C[NH2+][C@H](C)c2ccsc2)co1 ZINC000834898956 587769727 /nfs/dbraw/zinc/76/97/27/587769727.db2.gz CUWLAILYMPXBHT-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO CCc1nc(C[NH2+][C@@H](C)c2ccsc2)co1 ZINC000834898957 587769485 /nfs/dbraw/zinc/76/94/85/587769485.db2.gz CUWLAILYMPXBHT-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO CCc1nc(C[NH2+][C@@H](C)c2cc(C)oc2C)co1 ZINC000834899538 587770070 /nfs/dbraw/zinc/77/00/70/587770070.db2.gz QSBOMLYOMUOYRY-JTQLQIEISA-N 1 2 248.326 3.298 20 0 BGADLO CCc1nc(C[NH2+][C@H](C)c2cc(C)oc2C)co1 ZINC000834899542 587769997 /nfs/dbraw/zinc/76/99/97/587769997.db2.gz QSBOMLYOMUOYRY-SNVBAGLBSA-N 1 2 248.326 3.298 20 0 BGADLO CCc1nc(C[NH2+][C@@H](C)c2cc(C)c(C)o2)co1 ZINC000834899858 587769983 /nfs/dbraw/zinc/76/99/83/587769983.db2.gz RHLGPVDSWMDPGX-JTQLQIEISA-N 1 2 248.326 3.298 20 0 BGADLO CCc1nc(C[NH2+][C@H](C)c2cc(C)c(C)o2)co1 ZINC000834899859 587769671 /nfs/dbraw/zinc/76/96/71/587769671.db2.gz RHLGPVDSWMDPGX-SNVBAGLBSA-N 1 2 248.326 3.298 20 0 BGADLO CCc1nc(C[NH2+][C@@H](C)c2ccc(F)cc2)co1 ZINC000834900468 587770061 /nfs/dbraw/zinc/77/00/61/587770061.db2.gz PFSGRDXKTTWCRL-JTQLQIEISA-N 1 2 248.301 3.227 20 0 BGADLO CCc1nc(C[NH2+][C@H](C)c2ccc(F)cc2)co1 ZINC000834900470 587769941 /nfs/dbraw/zinc/76/99/41/587769941.db2.gz PFSGRDXKTTWCRL-SNVBAGLBSA-N 1 2 248.301 3.227 20 0 BGADLO CCc1ccc([C@H](C)[NH2+]Cc2coc(CC)n2)o1 ZINC000834900497 587769835 /nfs/dbraw/zinc/76/98/35/587769835.db2.gz PSIWZDUSXJCVSV-JTQLQIEISA-N 1 2 248.326 3.243 20 0 BGADLO CCc1ccc([C@@H](C)[NH2+]Cc2coc(CC)n2)o1 ZINC000834900499 587769981 /nfs/dbraw/zinc/76/99/81/587769981.db2.gz PSIWZDUSXJCVSV-SNVBAGLBSA-N 1 2 248.326 3.243 20 0 BGADLO c1csc(Nc2ccc([NH+]3CCCC3)cc2)n1 ZINC000835056740 587779519 /nfs/dbraw/zinc/77/95/19/587779519.db2.gz JEEVDOXUPTXQET-UHFFFAOYSA-N 1 2 245.351 3.487 20 0 BGADLO CCC1C[NH+](Cc2ccnc(Cl)c2Cl)C1 ZINC000835074773 587780237 /nfs/dbraw/zinc/78/02/37/587780237.db2.gz MXOGTRGRORYRQM-UHFFFAOYSA-N 1 2 245.153 3.230 20 0 BGADLO Cc1cccc(CO[NH+]=C(N)c2ccccc2)c1 ZINC000835546455 587807283 /nfs/dbraw/zinc/80/72/83/587807283.db2.gz GYHHKLQQVBMMHR-UHFFFAOYSA-N 1 2 240.306 3.042 20 0 BGADLO CCC(=CC(=O)NCc1c[nH+]c(C)cc1C)CC ZINC000837103333 587853707 /nfs/dbraw/zinc/85/37/07/587853707.db2.gz DEURMPHRZIUKGY-UHFFFAOYSA-N 1 2 246.354 3.061 20 0 BGADLO CCC/C(C)=C\C(=O)NCc1c[nH+]c(C)cc1C ZINC000837103336 587854094 /nfs/dbraw/zinc/85/40/94/587854094.db2.gz GRSJJWXLYCQYAF-XFFZJAGNSA-N 1 2 246.354 3.061 20 0 BGADLO CCC/C(C)=C/C(=O)NCc1c[nH+]c(C)cc1C ZINC000837103337 587853983 /nfs/dbraw/zinc/85/39/83/587853983.db2.gz GRSJJWXLYCQYAF-YRNVUSSQSA-N 1 2 246.354 3.061 20 0 BGADLO CCCCCCC(=O)NCc1c[nH+]c(C)cc1C ZINC000837104452 587853729 /nfs/dbraw/zinc/85/37/29/587853729.db2.gz XZGJACYBWPUJDM-UHFFFAOYSA-N 1 2 248.370 3.285 20 0 BGADLO CC/C(C)=C(\C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837104685 587854067 /nfs/dbraw/zinc/85/40/67/587854067.db2.gz JJPCOVAVHRDETN-JLHYYAGUSA-N 1 2 246.354 3.061 20 0 BGADLO CC/C(C)=C(/C)C(=O)NCc1c[nH+]c(C)cc1C ZINC000837104686 587853765 /nfs/dbraw/zinc/85/37/65/587853765.db2.gz JJPCOVAVHRDETN-RAXLEYEMSA-N 1 2 246.354 3.061 20 0 BGADLO CC/C(C)=C/C(=O)OCc1ccc(C)[nH+]c1C ZINC000838042757 585043436 /nfs/dbraw/zinc/04/34/36/585043436.db2.gz HEACAOICSCAMFY-CSKARUKUSA-N 1 2 233.311 3.098 20 0 BGADLO CC/C(C)=C\C(=O)OCc1ccc(C)[nH+]c1C ZINC000838042758 585043387 /nfs/dbraw/zinc/04/33/87/585043387.db2.gz HEACAOICSCAMFY-NTMALXAHSA-N 1 2 233.311 3.098 20 0 BGADLO CC(C(=O)OCc1ccc(C)[nH+]c1C)=C1CCC1 ZINC000838235767 585049689 /nfs/dbraw/zinc/04/96/89/585049689.db2.gz KGSQBAKIWYUNDS-UHFFFAOYSA-N 1 2 245.322 3.242 20 0 BGADLO Cc1ccc(COC(=O)[C@H](C)C2CCC2)c(C)[nH+]1 ZINC000838387745 585055772 /nfs/dbraw/zinc/05/57/72/585055772.db2.gz KMVCRELANNYUKC-LLVKDONJSA-N 1 2 247.338 3.178 20 0 BGADLO Cc1ccc(COC(=O)[C@@H](C)C2CCC2)c(C)[nH+]1 ZINC000838387749 585055759 /nfs/dbraw/zinc/05/57/59/585055759.db2.gz KMVCRELANNYUKC-NSHDSACASA-N 1 2 247.338 3.178 20 0 BGADLO COc1ccc([NH2+]C2CC3(CCC3)C2)c(OC)c1 ZINC000838864775 585076365 /nfs/dbraw/zinc/07/63/65/585076365.db2.gz KBYKBWLMCFAVDM-UHFFFAOYSA-N 1 2 247.338 3.448 20 0 BGADLO c1cc([NH2+]C2CC3(CCC3)C2)cc2c1OCC2 ZINC000838960118 585082286 /nfs/dbraw/zinc/08/22/86/585082286.db2.gz XXZDHESUYGWBLR-UHFFFAOYSA-N 1 2 229.323 3.366 20 0 BGADLO Clc1ncccc1C[NH+]1CC2(C1)CCCC2 ZINC000839105535 585091198 /nfs/dbraw/zinc/09/11/98/585091198.db2.gz SHHCBQNIYZFTMN-UHFFFAOYSA-N 1 2 236.746 3.111 20 0 BGADLO FC1CC2(C1)C[NH+](Cc1cc(Cl)cs1)C2 ZINC000839140674 585094321 /nfs/dbraw/zinc/09/43/21/585094321.db2.gz SMDPCYSUZDYCAO-UHFFFAOYSA-N 1 2 245.750 3.335 20 0 BGADLO FC(F)C1C[NH+](Cc2cc(Cl)cs2)C1 ZINC000839141499 585094468 /nfs/dbraw/zinc/09/44/68/585094468.db2.gz QVYVTMRGEFGNSK-UHFFFAOYSA-N 1 2 237.702 3.098 20 0 BGADLO CC1(CC(F)(F)F)C[NH+](Cc2ccoc2)C1 ZINC000839142238 585094784 /nfs/dbraw/zinc/09/47/84/585094784.db2.gz DVVVZZXJSAAPFS-UHFFFAOYSA-N 1 2 233.233 3.054 20 0 BGADLO CCC1(C)C[NH+](Cc2ccnc(Cl)c2F)C1 ZINC000839143030 585094799 /nfs/dbraw/zinc/09/47/99/585094799.db2.gz NTQDHSRSOFIZHN-UHFFFAOYSA-N 1 2 242.725 3.106 20 0 BGADLO COc1ccc([NH2+]CC2CC2)cc1SC ZINC000839150172 585092287 /nfs/dbraw/zinc/09/22/87/585092287.db2.gz IJYYGRZJYKZGGM-UHFFFAOYSA-N 1 2 223.341 3.239 20 0 BGADLO COc1ccc([NH2+]CC(C)C)cc1SC ZINC000839151024 585092519 /nfs/dbraw/zinc/09/25/19/585092519.db2.gz SYHVFFCUJHMSKO-UHFFFAOYSA-N 1 2 225.357 3.485 20 0 BGADLO COc1ccc([NH2+]C[C@H]2C[C@H]2C)cc1SC ZINC000839151298 585092442 /nfs/dbraw/zinc/09/24/42/585092442.db2.gz WWIFDPLAXUWEDJ-NXEZZACHSA-N 1 2 237.368 3.485 20 0 BGADLO COc1ccc([NH2+]C[C@@H]2C[C@@H]2C)cc1SC ZINC000839151299 585092530 /nfs/dbraw/zinc/09/25/30/585092530.db2.gz WWIFDPLAXUWEDJ-UWVGGRQHSA-N 1 2 237.368 3.485 20 0 BGADLO COc1ccc([NH2+]C[C@H]2C[C@@H]2C)cc1SC ZINC000839151300 585092381 /nfs/dbraw/zinc/09/23/81/585092381.db2.gz WWIFDPLAXUWEDJ-VHSXEESVSA-N 1 2 237.368 3.485 20 0 BGADLO COc1ccc([NH2+]C[C@@H]2C[C@H]2C)cc1SC ZINC000839151301 585092332 /nfs/dbraw/zinc/09/23/32/585092332.db2.gz WWIFDPLAXUWEDJ-ZJUUUORDSA-N 1 2 237.368 3.485 20 0 BGADLO C=COc1ccc([NH2+]C[C@H]2CCCOC2)cc1 ZINC000839153257 585092672 /nfs/dbraw/zinc/09/26/72/585092672.db2.gz BLEJJRLIFVUOED-GFCCVEGCSA-N 1 2 233.311 3.047 20 0 BGADLO C=COc1ccc([NH2+]C[C@@H]2CCCOC2)cc1 ZINC000839153260 585092754 /nfs/dbraw/zinc/09/27/54/585092754.db2.gz BLEJJRLIFVUOED-LBPRGKRZSA-N 1 2 233.311 3.047 20 0 BGADLO C=COc1ccc([NH2+]CC[C@@H]2CCOC2)cc1 ZINC000839154016 585092756 /nfs/dbraw/zinc/09/27/56/585092756.db2.gz HSEMNXRNEMNYAB-GFCCVEGCSA-N 1 2 233.311 3.047 20 0 BGADLO C=COc1ccc([NH2+]CC[C@H]2CCOC2)cc1 ZINC000839154017 585092727 /nfs/dbraw/zinc/09/27/27/585092727.db2.gz HSEMNXRNEMNYAB-LBPRGKRZSA-N 1 2 233.311 3.047 20 0 BGADLO C=COc1ccc([NH2+]CC(C)(C)COC)cc1 ZINC000839154093 585092601 /nfs/dbraw/zinc/09/26/01/585092601.db2.gz JAYPXCVCDHUIIA-UHFFFAOYSA-N 1 2 235.327 3.293 20 0 BGADLO C=COc1ccc([NH2+]CC2CCOCC2)cc1 ZINC000839155002 585092761 /nfs/dbraw/zinc/09/27/61/585092761.db2.gz QOEUZZCKQRNEFH-UHFFFAOYSA-N 1 2 233.311 3.047 20 0 BGADLO C=COc1ccc([NH2+]C[C@H]2CCSC2)cc1 ZINC000839155469 585092737 /nfs/dbraw/zinc/09/27/37/585092737.db2.gz RRKVTGIEEOBCTH-LLVKDONJSA-N 1 2 235.352 3.374 20 0 BGADLO C=COc1ccc([NH2+]C[C@@H]2CCSC2)cc1 ZINC000839155470 585092586 /nfs/dbraw/zinc/09/25/86/585092586.db2.gz RRKVTGIEEOBCTH-NSHDSACASA-N 1 2 235.352 3.374 20 0 BGADLO Clc1cccc2c1C[N@@H+](Cc1ccoc1)CC2 ZINC000839165225 585095068 /nfs/dbraw/zinc/09/50/68/585095068.db2.gz GUEJZHFYVICTHX-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Clc1cccc2c1C[N@H+](Cc1ccoc1)CC2 ZINC000839165225 585095067 /nfs/dbraw/zinc/09/50/67/585095067.db2.gz GUEJZHFYVICTHX-UHFFFAOYSA-N 1 2 247.725 3.491 20 0 BGADLO Cl/C=C\C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000839166784 585095535 /nfs/dbraw/zinc/09/55/35/585095535.db2.gz BBNNTRIVLGASCY-KXFIGUGUSA-N 1 2 242.149 3.451 20 0 BGADLO Cl/C=C\C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000839166784 585095534 /nfs/dbraw/zinc/09/55/34/585095534.db2.gz BBNNTRIVLGASCY-KXFIGUGUSA-N 1 2 242.149 3.451 20 0 BGADLO Cl/C=C/C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000839166825 585095517 /nfs/dbraw/zinc/09/55/17/585095517.db2.gz BBNNTRIVLGASCY-QHHAFSJGSA-N 1 2 242.149 3.451 20 0 BGADLO Cl/C=C/C[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000839166825 585095516 /nfs/dbraw/zinc/09/55/16/585095516.db2.gz BBNNTRIVLGASCY-QHHAFSJGSA-N 1 2 242.149 3.451 20 0 BGADLO C[N@@H+](CC(F)(F)C(F)F)C1CC(C)(C)C1 ZINC000839190873 585097431 /nfs/dbraw/zinc/09/74/31/585097431.db2.gz BHXSAFIYTVCVMV-UHFFFAOYSA-N 1 2 227.245 3.007 20 0 BGADLO C[N@H+](CC(F)(F)C(F)F)C1CC(C)(C)C1 ZINC000839190873 585097430 /nfs/dbraw/zinc/09/74/30/585097430.db2.gz BHXSAFIYTVCVMV-UHFFFAOYSA-N 1 2 227.245 3.007 20 0 BGADLO Clc1ccc2c(c1)C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000839191357 585097346 /nfs/dbraw/zinc/09/73/46/585097346.db2.gz OGJXCXGTFNAMBH-AWEZNQCLSA-N 1 2 249.741 3.348 20 0 BGADLO Clc1ccc2c(c1)C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000839191357 585097345 /nfs/dbraw/zinc/09/73/45/585097345.db2.gz OGJXCXGTFNAMBH-AWEZNQCLSA-N 1 2 249.741 3.348 20 0 BGADLO Clc1ccc2c(c1)C[N@H+](C[C@H]1CCC=CO1)C2 ZINC000839191359 585097360 /nfs/dbraw/zinc/09/73/60/585097360.db2.gz OGJXCXGTFNAMBH-CQSZACIVSA-N 1 2 249.741 3.348 20 0 BGADLO Clc1ccc2c(c1)C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000839191359 585097359 /nfs/dbraw/zinc/09/73/59/585097359.db2.gz OGJXCXGTFNAMBH-CQSZACIVSA-N 1 2 249.741 3.348 20 0 BGADLO CC/C(C)=C\C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000839235943 585100432 /nfs/dbraw/zinc/10/04/32/585100432.db2.gz OHZNWYUKSHSWKT-CLFYSBASSA-N 1 2 232.327 3.302 20 0 BGADLO CC/C(C)=C/C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000839235947 585100465 /nfs/dbraw/zinc/10/04/65/585100465.db2.gz OHZNWYUKSHSWKT-VQHVLOKHSA-N 1 2 232.327 3.302 20 0 BGADLO CC(C(=O)Nc1c(C)cc(C)[nH+]c1C)=C1CCC1 ZINC000839236374 585100555 /nfs/dbraw/zinc/10/05/55/585100555.db2.gz VCBHCXVRUPKISS-UHFFFAOYSA-N 1 2 244.338 3.446 20 0 BGADLO CCCCCCC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839360082 585101831 /nfs/dbraw/zinc/10/18/31/585101831.db2.gz BUJODZAUFXYOQL-UHFFFAOYSA-N 1 2 245.326 3.243 20 0 BGADLO CC/C(C)=C(/C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839360973 585102037 /nfs/dbraw/zinc/10/20/37/585102037.db2.gz UOQXREQSQGDLCL-KHPPLWFESA-N 1 2 243.310 3.019 20 0 BGADLO CC/C(C)=C(\C)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839360974 585101989 /nfs/dbraw/zinc/10/19/89/585101989.db2.gz UOQXREQSQGDLCL-ZHACJKMWSA-N 1 2 243.310 3.019 20 0 BGADLO CCC/C(C)=C\C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839361130 585101953 /nfs/dbraw/zinc/10/19/53/585101953.db2.gz ZEWOMIBHULUTNJ-LUAWRHEFSA-N 1 2 243.310 3.019 20 0 BGADLO CCC/C(C)=C/C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000839361131 585101791 /nfs/dbraw/zinc/10/17/91/585101791.db2.gz ZEWOMIBHULUTNJ-PKNBQFBNSA-N 1 2 243.310 3.019 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1COC(=O)C1=CCC1 ZINC000839386348 585102207 /nfs/dbraw/zinc/10/22/07/585102207.db2.gz PCHZDVROBSIEHS-UHFFFAOYSA-N 1 2 245.322 3.277 20 0 BGADLO C[C@@H]1CC(C)(C)C[N@H+]1Cc1csc(Cl)n1 ZINC000839658434 585333965 /nfs/dbraw/zinc/33/39/65/585333965.db2.gz NDLCLBIVVSXOMJ-MRVPVSSYSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1csc(Cl)n1 ZINC000839658434 585333964 /nfs/dbraw/zinc/33/39/64/585333964.db2.gz NDLCLBIVVSXOMJ-MRVPVSSYSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC(C)(C)C[N@H+]1Cc1csc(Cl)n1 ZINC000839658436 585333915 /nfs/dbraw/zinc/33/39/15/585333915.db2.gz NDLCLBIVVSXOMJ-QMMMGPOBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC(C)(C)C[N@@H+]1Cc1csc(Cl)n1 ZINC000839658436 585333914 /nfs/dbraw/zinc/33/39/14/585333914.db2.gz NDLCLBIVVSXOMJ-QMMMGPOBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC(C)(C)C[N@H+]1CC(F)(F)C(F)F ZINC000839660030 585334314 /nfs/dbraw/zinc/33/43/14/585334314.db2.gz KBECWSASXUZHSO-SSDOTTSWSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@@H]1CC(C)(C)C[N@@H+]1CC(F)(F)C(F)F ZINC000839660030 585334313 /nfs/dbraw/zinc/33/43/13/585334313.db2.gz KBECWSASXUZHSO-SSDOTTSWSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@H]1CC(C)(C)C[N@H+]1CC(F)(F)C(F)F ZINC000839660031 585334134 /nfs/dbraw/zinc/33/41/34/585334134.db2.gz KBECWSASXUZHSO-ZETCQYMHSA-N 1 2 227.245 3.007 20 0 BGADLO C[C@H]1CC(C)(C)C[N@@H+]1CC(F)(F)C(F)F ZINC000839660031 585334133 /nfs/dbraw/zinc/33/41/33/585334133.db2.gz KBECWSASXUZHSO-ZETCQYMHSA-N 1 2 227.245 3.007 20 0 BGADLO CC[N@@H+](CC(F)(F)C(F)F)C1CC(C)(C)C1 ZINC000839663824 585334731 /nfs/dbraw/zinc/33/47/31/585334731.db2.gz LFLNWYKXLPGECM-UHFFFAOYSA-N 1 2 241.272 3.397 20 0 BGADLO CC[N@H+](CC(F)(F)C(F)F)C1CC(C)(C)C1 ZINC000839663824 585334730 /nfs/dbraw/zinc/33/47/30/585334730.db2.gz LFLNWYKXLPGECM-UHFFFAOYSA-N 1 2 241.272 3.397 20 0 BGADLO FC(F)C(F)(F)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000839676962 585336717 /nfs/dbraw/zinc/33/67/17/585336717.db2.gz OLABVIKNQMPYKC-SECBINFHSA-N 1 2 239.256 3.009 20 0 BGADLO FC(F)C(F)(F)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000839676962 585336716 /nfs/dbraw/zinc/33/67/16/585336716.db2.gz OLABVIKNQMPYKC-SECBINFHSA-N 1 2 239.256 3.009 20 0 BGADLO FC(F)C(F)(F)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000839676972 585336787 /nfs/dbraw/zinc/33/67/87/585336787.db2.gz OLABVIKNQMPYKC-VIFPVBQESA-N 1 2 239.256 3.009 20 0 BGADLO FC(F)C(F)(F)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000839676972 585336786 /nfs/dbraw/zinc/33/67/86/585336786.db2.gz OLABVIKNQMPYKC-VIFPVBQESA-N 1 2 239.256 3.009 20 0 BGADLO CC(C)c1nc(N2CC[C@@H](C3CCC3)C2)cc[nH+]1 ZINC000840391705 586981711 /nfs/dbraw/zinc/98/17/11/586981711.db2.gz MHINQXVGTAQVGW-CYBMUJFWSA-N 1 2 245.370 3.226 20 0 BGADLO CC(C)c1nc(N2CC[C@H](C3CCC3)C2)cc[nH+]1 ZINC000840391706 586981838 /nfs/dbraw/zinc/98/18/38/586981838.db2.gz MHINQXVGTAQVGW-ZDUSSCGKSA-N 1 2 245.370 3.226 20 0 BGADLO C=COc1ccc([NH2+][C@H](C)[C@@H]2CCCOC2)cc1 ZINC000840771911 587920918 /nfs/dbraw/zinc/92/09/18/587920918.db2.gz NZELTJTUDCPNEX-CHWSQXEVSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@H](C)[C@H]2CCCOC2)cc1 ZINC000840771912 587921001 /nfs/dbraw/zinc/92/10/01/587921001.db2.gz NZELTJTUDCPNEX-OLZOCXBDSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000840771913 587921114 /nfs/dbraw/zinc/92/11/14/587921114.db2.gz NZELTJTUDCPNEX-QWHCGFSZSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@@H](C)[C@H]2CCCOC2)cc1 ZINC000840771915 587920967 /nfs/dbraw/zinc/92/09/67/587920967.db2.gz NZELTJTUDCPNEX-STQMWFEESA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@H](C)C2CCOCC2)cc1 ZINC000840774142 584986768 /nfs/dbraw/zinc/98/67/68/584986768.db2.gz GGWGDFPAGYSQGQ-GFCCVEGCSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000840774144 584986834 /nfs/dbraw/zinc/98/68/34/584986834.db2.gz GGWGDFPAGYSQGQ-LBPRGKRZSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@@H](CC)[C@@H]2CCOC2)cc1 ZINC000840774277 584990111 /nfs/dbraw/zinc/99/01/11/584990111.db2.gz ILRXUPXQSHUFKJ-DOMZBBRYSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@H](CC)[C@@H]2CCOC2)cc1 ZINC000840774281 584989980 /nfs/dbraw/zinc/98/99/80/584989980.db2.gz ILRXUPXQSHUFKJ-IUODEOHRSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@H](CC)[C@H]2CCOC2)cc1 ZINC000840774283 584990002 /nfs/dbraw/zinc/99/00/02/584990002.db2.gz ILRXUPXQSHUFKJ-SWLSCSKDSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@@H](CC)[C@H]2CCOC2)cc1 ZINC000840774291 584989917 /nfs/dbraw/zinc/98/99/17/584989917.db2.gz ILRXUPXQSHUFKJ-WFASDCNBSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@H](C)C[C@H]2CCOC2)cc1 ZINC000840774827 587921046 /nfs/dbraw/zinc/92/10/46/587921046.db2.gz KHOCFFAAQPVNCB-CHWSQXEVSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@H](C)C[C@@H]2CCOC2)cc1 ZINC000840774829 587920977 /nfs/dbraw/zinc/92/09/77/587920977.db2.gz KHOCFFAAQPVNCB-OLZOCXBDSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@@H](C)C[C@H]2CCOC2)cc1 ZINC000840774832 587921185 /nfs/dbraw/zinc/92/11/85/587921185.db2.gz KHOCFFAAQPVNCB-QWHCGFSZSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@@H](C)C[C@@H]2CCOC2)cc1 ZINC000840774835 587921073 /nfs/dbraw/zinc/92/10/73/587921073.db2.gz KHOCFFAAQPVNCB-STQMWFEESA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000840775532 584993609 /nfs/dbraw/zinc/99/36/09/584993609.db2.gz NVSKJPUFLBJRHL-NEPJUHHUSA-N 1 2 233.311 3.046 20 0 BGADLO C=COc1ccc([NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000840775534 584993016 /nfs/dbraw/zinc/99/30/16/584993016.db2.gz NVSKJPUFLBJRHL-NWDGAFQWSA-N 1 2 233.311 3.046 20 0 BGADLO C=COc1ccc([NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000840775536 584993230 /nfs/dbraw/zinc/99/32/30/584993230.db2.gz NVSKJPUFLBJRHL-RYUDHWBXSA-N 1 2 233.311 3.046 20 0 BGADLO C=COc1ccc([NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000840775546 584993056 /nfs/dbraw/zinc/99/30/56/584993056.db2.gz NVSKJPUFLBJRHL-VXGBXAGGSA-N 1 2 233.311 3.046 20 0 BGADLO C=COc1ccc([NH2+][C@H](C)CCCOC)cc1 ZINC000840776595 584998579 /nfs/dbraw/zinc/99/85/79/584998579.db2.gz SMCIMCGQNGTHEL-GFCCVEGCSA-N 1 2 235.327 3.436 20 0 BGADLO C=COc1ccc([NH2+][C@@H](C)CCCOC)cc1 ZINC000840776597 584998483 /nfs/dbraw/zinc/99/84/83/584998483.db2.gz SMCIMCGQNGTHEL-LBPRGKRZSA-N 1 2 235.327 3.436 20 0 BGADLO COc1ccc([NH2+]C(C)C)cc1SC ZINC000840776796 584999549 /nfs/dbraw/zinc/99/95/49/584999549.db2.gz RPPCUUZRVPEBFC-UHFFFAOYSA-N 1 2 211.330 3.237 20 0 BGADLO CCOc1ccc(N[C@H](C)c2[nH]cc[nH+]2)c(F)c1 ZINC000840895177 583013323 /nfs/dbraw/zinc/01/33/23/583013323.db2.gz WJYMNZCDRYSYRH-SECBINFHSA-N 1 2 249.289 3.121 20 0 BGADLO CCOc1ccc(N[C@@H](C)c2[nH]cc[nH+]2)c(F)c1 ZINC000840895178 583013756 /nfs/dbraw/zinc/01/37/56/583013756.db2.gz WJYMNZCDRYSYRH-VIFPVBQESA-N 1 2 249.289 3.121 20 0 BGADLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccoc2C)no1 ZINC000840909603 583114566 /nfs/dbraw/zinc/11/45/66/583114566.db2.gz FEVDOOCSPZMUIO-AWEZNQCLSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccoc2C)no1 ZINC000840909603 583114565 /nfs/dbraw/zinc/11/45/65/583114565.db2.gz FEVDOOCSPZMUIO-AWEZNQCLSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccoc2C)no1 ZINC000840909605 583114527 /nfs/dbraw/zinc/11/45/27/583114527.db2.gz FEVDOOCSPZMUIO-CQSZACIVSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccoc2C)no1 ZINC000840909605 583114525 /nfs/dbraw/zinc/11/45/25/583114525.db2.gz FEVDOOCSPZMUIO-CQSZACIVSA-N 1 2 246.310 3.222 20 0 BGADLO COc1ccc([NH2+]CCC(C)(C)C)cc1N ZINC000841039994 587935089 /nfs/dbraw/zinc/93/50/89/587935089.db2.gz GALIUHGWVPRRBM-UHFFFAOYSA-N 1 2 222.332 3.126 20 0 BGADLO CCC[C@H](C)C[NH2+]c1ccc(OC)c(N)c1 ZINC000841040242 587938621 /nfs/dbraw/zinc/93/86/21/587938621.db2.gz JQDGHAPAJYBGRD-JTQLQIEISA-N 1 2 222.332 3.126 20 0 BGADLO CCC[C@@H](C)C[NH2+]c1ccc(OC)c(N)c1 ZINC000841040243 587938778 /nfs/dbraw/zinc/93/87/78/587938778.db2.gz JQDGHAPAJYBGRD-SNVBAGLBSA-N 1 2 222.332 3.126 20 0 BGADLO COc1ccc([NH2+]C[C@H](C)CC(C)C)cc1N ZINC000841040288 584116527 /nfs/dbraw/zinc/11/65/27/584116527.db2.gz KKNSSCYRAYLXTH-LLVKDONJSA-N 1 2 236.359 3.372 20 0 BGADLO COc1ccc([NH2+]C[C@@H](C)CC(C)C)cc1N ZINC000841040290 584116415 /nfs/dbraw/zinc/11/64/15/584116415.db2.gz KKNSSCYRAYLXTH-NSHDSACASA-N 1 2 236.359 3.372 20 0 BGADLO CCC(CC)C[NH2+]c1ccc(OC)c(N)c1 ZINC000841040477 587938767 /nfs/dbraw/zinc/93/87/67/587938767.db2.gz NDDFGPBOFPRTRY-UHFFFAOYSA-N 1 2 222.332 3.126 20 0 BGADLO COc1ccc([NH2+]CCCC(C)C)cc1N ZINC000841040590 587938590 /nfs/dbraw/zinc/93/85/90/587938590.db2.gz PCYVXIUXEXXKQZ-UHFFFAOYSA-N 1 2 222.332 3.126 20 0 BGADLO COc1ccc([NH2+]CC2CCCCC2)cc1N ZINC000841040721 584116764 /nfs/dbraw/zinc/11/67/64/584116764.db2.gz RIUDEIUQJBKVRG-UHFFFAOYSA-N 1 2 234.343 3.270 20 0 BGADLO COc1ccc([NH2+]C[C@H](C)C(C)(C)C)cc1N ZINC000841040823 587938410 /nfs/dbraw/zinc/93/84/10/587938410.db2.gz UPBAPVHYUQQSES-JTQLQIEISA-N 1 2 236.359 3.372 20 0 BGADLO COc1ccc([NH2+]C[C@@H](C)C(C)(C)C)cc1N ZINC000841040824 587938628 /nfs/dbraw/zinc/93/86/28/587938628.db2.gz UPBAPVHYUQQSES-SNVBAGLBSA-N 1 2 236.359 3.372 20 0 BGADLO COc1cc([NH2+]C[C@H](C)CC(C)C)ccc1N ZINC000841041064 587938373 /nfs/dbraw/zinc/93/83/73/587938373.db2.gz BQMQJPIUICBQPJ-LLVKDONJSA-N 1 2 236.359 3.372 20 0 BGADLO COc1cc([NH2+]C[C@@H](C)CC(C)C)ccc1N ZINC000841041065 587938790 /nfs/dbraw/zinc/93/87/90/587938790.db2.gz BQMQJPIUICBQPJ-NSHDSACASA-N 1 2 236.359 3.372 20 0 BGADLO CCC[C@H](C)C[NH2+]c1ccc(N)c(OC)c1 ZINC000841044463 587939408 /nfs/dbraw/zinc/93/94/08/587939408.db2.gz YAQHUGKMVTZWSI-JTQLQIEISA-N 1 2 222.332 3.126 20 0 BGADLO CCC[C@@H](C)C[NH2+]c1ccc(N)c(OC)c1 ZINC000841044464 587939022 /nfs/dbraw/zinc/93/90/22/587939022.db2.gz YAQHUGKMVTZWSI-SNVBAGLBSA-N 1 2 222.332 3.126 20 0 BGADLO C=COc1ccc([NH2+]CC2CC(OCC)C2)cc1 ZINC000841699885 587972427 /nfs/dbraw/zinc/97/24/27/587972427.db2.gz LTFYKPNZFHNVDW-UHFFFAOYSA-N 1 2 247.338 3.436 20 0 BGADLO C=COc1ccc([NH2+]CCCCF)cc1 ZINC000841701474 587972613 /nfs/dbraw/zinc/97/26/13/587972613.db2.gz SBBPXRQFACOJFR-UHFFFAOYSA-N 1 2 209.264 3.371 20 0 BGADLO C=COc1ccc([NH2+]CC[C@H]2CCCO2)cc1 ZINC000841701942 587972862 /nfs/dbraw/zinc/97/28/62/587972862.db2.gz VHHGDWPVWYXCQC-CYBMUJFWSA-N 1 2 233.311 3.190 20 0 BGADLO C=COc1ccc([NH2+]CC[C@@H]2CCCO2)cc1 ZINC000841701943 587972813 /nfs/dbraw/zinc/97/28/13/587972813.db2.gz VHHGDWPVWYXCQC-ZDUSSCGKSA-N 1 2 233.311 3.190 20 0 BGADLO C=COc1ccc([NH2+]CCCCOC)cc1 ZINC000841702254 583212584 /nfs/dbraw/zinc/21/25/84/583212584.db2.gz ZYLHGAXCZGFNJY-UHFFFAOYSA-N 1 2 221.300 3.047 20 0 BGADLO Cc1cc(N[C@H]2COC(C)(C)C2)ccc1[NH+](C)C ZINC000841850750 587978169 /nfs/dbraw/zinc/97/81/69/587978169.db2.gz CDYNNOUMXPVBNZ-CYBMUJFWSA-N 1 2 248.370 3.040 20 0 BGADLO Cc1cc(N[C@@H]2COC(C)(C)C2)ccc1[NH+](C)C ZINC000841850752 587978476 /nfs/dbraw/zinc/97/84/76/587978476.db2.gz CDYNNOUMXPVBNZ-ZDUSSCGKSA-N 1 2 248.370 3.040 20 0 BGADLO CCn1c[nH+]cc1CN(C)c1ccc(C)cc1C ZINC000841869116 587979231 /nfs/dbraw/zinc/97/92/31/587979231.db2.gz YFSJXZYKFITDTA-UHFFFAOYSA-N 1 2 243.354 3.156 20 0 BGADLO CSc1cc(C)ccc1NCc1cn(C)c[nH+]1 ZINC000842225416 588007743 /nfs/dbraw/zinc/00/77/43/588007743.db2.gz JEUJIEJBJWALOI-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO Cc1ccc(NCc2cn(C)c[nH+]2)c(Cl)c1C ZINC000842730288 588056730 /nfs/dbraw/zinc/05/67/30/588056730.db2.gz FERFWMMWHSTQQD-UHFFFAOYSA-N 1 2 249.745 3.302 20 0 BGADLO CCCCC[C@@H](CC)c1nc(C[NH2+]CC)no1 ZINC000843144675 586430786 /nfs/dbraw/zinc/43/07/86/586430786.db2.gz GXBOJHQGZFGLHT-LLVKDONJSA-N 1 2 239.363 3.253 20 0 BGADLO CCCCC[C@H](CC)c1nc(C[NH2+]CC)no1 ZINC000843144676 586430623 /nfs/dbraw/zinc/43/06/23/586430623.db2.gz GXBOJHQGZFGLHT-NSHDSACASA-N 1 2 239.363 3.253 20 0 BGADLO CCCCCC[C@@H](C)c1nc(C[NH2+]CC)no1 ZINC000843144693 588086986 /nfs/dbraw/zinc/08/69/86/588086986.db2.gz HWAXVXDETZAYCT-LLVKDONJSA-N 1 2 239.363 3.253 20 0 BGADLO CCCCCC[C@H](C)c1nc(C[NH2+]CC)no1 ZINC000843144694 588087062 /nfs/dbraw/zinc/08/70/62/588087062.db2.gz HWAXVXDETZAYCT-NSHDSACASA-N 1 2 239.363 3.253 20 0 BGADLO CC[NH2+]Cc1noc([C@@H](C)CCC(C)(C)C)n1 ZINC000843144849 588086794 /nfs/dbraw/zinc/08/67/94/588086794.db2.gz MBAPFHIEDMDRSQ-JTQLQIEISA-N 1 2 239.363 3.109 20 0 BGADLO CC[NH2+]Cc1noc([C@H](C)CCC(C)(C)C)n1 ZINC000843144850 588086970 /nfs/dbraw/zinc/08/69/70/588086970.db2.gz MBAPFHIEDMDRSQ-SNVBAGLBSA-N 1 2 239.363 3.109 20 0 BGADLO CCCC(=Cc1nc(C[NH2+]CC)no1)CCC ZINC000843144867 588086572 /nfs/dbraw/zinc/08/65/72/588086572.db2.gz MPLBWRORJAAIOU-UHFFFAOYSA-N 1 2 237.347 3.163 20 0 BGADLO CCCCCC(C)(C)c1nc(C[NH2+]CC)no1 ZINC000843144951 588086869 /nfs/dbraw/zinc/08/68/69/588086869.db2.gz PLCOPYRRTZUQFI-UHFFFAOYSA-N 1 2 239.363 3.037 20 0 BGADLO CN(C)c1cc(CSCC2=CCCC2)cc[nH+]1 ZINC000843302153 588098458 /nfs/dbraw/zinc/09/84/58/588098458.db2.gz HCNKMOCFWNJJPE-UHFFFAOYSA-N 1 2 248.395 3.491 20 0 BGADLO C[C@@H](c1nc(C2CCCCCC2)no1)[NH+](C)C ZINC000843318411 588099928 /nfs/dbraw/zinc/09/99/28/588099928.db2.gz CNYWOPRRZQFXCG-JTQLQIEISA-N 1 2 237.347 3.130 20 0 BGADLO CC(C)c1ccc(-c2c[nH+]cn2C)cc1 ZINC000844229395 588174880 /nfs/dbraw/zinc/17/48/80/588174880.db2.gz KURRSKBKHFZTRX-UHFFFAOYSA-N 1 2 200.285 3.211 20 0 BGADLO Cc1cc(-c2ccc(CC(C)(C)O)cc2)cc[nH+]1 ZINC000844232700 588175510 /nfs/dbraw/zinc/17/55/10/588175510.db2.gz WYCJPEYMIOSFBK-UHFFFAOYSA-N 1 2 241.334 3.370 20 0 BGADLO Cc1cc(-c2ccc([C@H](C)CO)cc2)cc[nH+]1 ZINC000844233073 588175871 /nfs/dbraw/zinc/17/58/71/588175871.db2.gz ZGASJQZJKQRLAI-LLVKDONJSA-N 1 2 227.307 3.153 20 0 BGADLO Cc1cc(-c2ccc([C@@H](C)CO)cc2)cc[nH+]1 ZINC000844233074 588175938 /nfs/dbraw/zinc/17/59/38/588175938.db2.gz ZGASJQZJKQRLAI-NSHDSACASA-N 1 2 227.307 3.153 20 0 BGADLO FCC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000844363554 588187865 /nfs/dbraw/zinc/18/78/65/588187865.db2.gz HBQYZOPAARWMKA-UHFFFAOYSA-N 1 2 245.297 3.274 20 0 BGADLO FCC[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000844363554 588187863 /nfs/dbraw/zinc/18/78/63/588187863.db2.gz HBQYZOPAARWMKA-UHFFFAOYSA-N 1 2 245.297 3.274 20 0 BGADLO CC(C)(C)SCC[N@H+]1CCCC(F)(F)C1 ZINC000844374591 588188327 /nfs/dbraw/zinc/18/83/27/588188327.db2.gz BMPSOQTVKLCAPB-UHFFFAOYSA-N 1 2 237.359 3.249 20 0 BGADLO CC(C)(C)SCC[N@@H+]1CCCC(F)(F)C1 ZINC000844374591 588188326 /nfs/dbraw/zinc/18/83/26/588188326.db2.gz BMPSOQTVKLCAPB-UHFFFAOYSA-N 1 2 237.359 3.249 20 0 BGADLO FC1(F)CCC[N@@H+](CCc2cccs2)C1 ZINC000844374985 588188267 /nfs/dbraw/zinc/18/82/67/588188267.db2.gz MVMJTNJJFQVWFN-UHFFFAOYSA-N 1 2 231.311 3.022 20 0 BGADLO FC1(F)CCC[N@H+](CCc2cccs2)C1 ZINC000844374985 588188265 /nfs/dbraw/zinc/18/82/65/588188265.db2.gz MVMJTNJJFQVWFN-UHFFFAOYSA-N 1 2 231.311 3.022 20 0 BGADLO CCCC(C)(C)C(=O)Nc1cccc2[nH+]ccn21 ZINC000844407183 588190628 /nfs/dbraw/zinc/19/06/28/588190628.db2.gz RBSPLFYHMRUQSL-UHFFFAOYSA-N 1 2 245.326 3.099 20 0 BGADLO FC1(F)C[C@]12CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC000844471103 588197956 /nfs/dbraw/zinc/19/79/56/588197956.db2.gz NWYSEILIQIREOY-DKCNVOGISA-N 1 2 242.096 3.037 20 0 BGADLO FC1(F)C[C@]12CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC000844471103 588197955 /nfs/dbraw/zinc/19/79/55/588197955.db2.gz NWYSEILIQIREOY-DKCNVOGISA-N 1 2 242.096 3.037 20 0 BGADLO FC1(F)C[C@@]12CC[N@@H+](C/C(Cl)=C\Cl)C2 ZINC000844471104 588198029 /nfs/dbraw/zinc/19/80/29/588198029.db2.gz NWYSEILIQIREOY-HOOMWESVSA-N 1 2 242.096 3.037 20 0 BGADLO FC1(F)C[C@@]12CC[N@H+](C/C(Cl)=C\Cl)C2 ZINC000844471104 588198028 /nfs/dbraw/zinc/19/80/28/588198028.db2.gz NWYSEILIQIREOY-HOOMWESVSA-N 1 2 242.096 3.037 20 0 BGADLO FC1(F)C[C@@]12CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC000844471105 588198061 /nfs/dbraw/zinc/19/80/61/588198061.db2.gz NWYSEILIQIREOY-LSFDQVSLSA-N 1 2 242.096 3.037 20 0 BGADLO FC1(F)C[C@@]12CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC000844471105 588198060 /nfs/dbraw/zinc/19/80/60/588198060.db2.gz NWYSEILIQIREOY-LSFDQVSLSA-N 1 2 242.096 3.037 20 0 BGADLO FC1(F)C[C@]12CC[N@@H+](C/C(Cl)=C/Cl)C2 ZINC000844471106 588198124 /nfs/dbraw/zinc/19/81/24/588198124.db2.gz NWYSEILIQIREOY-PFPYCLJUSA-N 1 2 242.096 3.037 20 0 BGADLO FC1(F)C[C@]12CC[N@H+](C/C(Cl)=C/Cl)C2 ZINC000844471106 588198123 /nfs/dbraw/zinc/19/81/23/588198123.db2.gz NWYSEILIQIREOY-PFPYCLJUSA-N 1 2 242.096 3.037 20 0 BGADLO CCc1cc[nH+]cc1NCc1nc(C)cs1 ZINC000844705771 588214098 /nfs/dbraw/zinc/21/40/98/588214098.db2.gz KSGSPHKYLZBPCY-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO Cc1c[nH+]c(C)c(NCc2ccc(F)nc2C)c1 ZINC000844706644 588214441 /nfs/dbraw/zinc/21/44/41/588214441.db2.gz DKCFQSRPIURULB-UHFFFAOYSA-N 1 2 245.301 3.153 20 0 BGADLO CCc1cc[nH+]cc1NCc1cc(C)oc1C ZINC000844706926 588214157 /nfs/dbraw/zinc/21/41/57/588214157.db2.gz QSWKRCABEGOFDV-UHFFFAOYSA-N 1 2 230.311 3.466 20 0 BGADLO CCc1cc[nH+]cc1NCc1cnc(C)s1 ZINC000844706960 588214953 /nfs/dbraw/zinc/21/49/53/588214953.db2.gz RRVHPUBUVRQAHP-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO CCc1cc[nH+]cc1NCc1ccc(F)nc1C ZINC000844708179 588214794 /nfs/dbraw/zinc/21/47/94/588214794.db2.gz KBTBTAZPLWHWCE-UHFFFAOYSA-N 1 2 245.301 3.099 20 0 BGADLO CCc1cc[nH+]cc1NCc1sc(C)nc1C ZINC000844708203 588214589 /nfs/dbraw/zinc/21/45/89/588214589.db2.gz XUJDZHXXLBJAHU-UHFFFAOYSA-N 1 2 247.367 3.329 20 0 BGADLO COCc1cc[nH+]c(NCc2cc(C)oc2C)c1 ZINC000844708651 588214833 /nfs/dbraw/zinc/21/48/33/588214833.db2.gz MMJKZQQTJMVTJB-UHFFFAOYSA-N 1 2 246.310 3.050 20 0 BGADLO CC[NH2+]Cc1noc(/C=C\C2CCCCCC2)n1 ZINC000844906485 588218854 /nfs/dbraw/zinc/21/88/54/588218854.db2.gz PBKYCLQVSKYVME-KTKRTIGZSA-N 1 2 249.358 3.163 20 0 BGADLO CC[NH2+]Cc1noc(/C=C/C2CCCCCC2)n1 ZINC000844906486 588219025 /nfs/dbraw/zinc/21/90/25/588219025.db2.gz PBKYCLQVSKYVME-MDZDMXLPSA-N 1 2 249.358 3.163 20 0 BGADLO CC(C)c1nc(N2CCC23CCCC3)cc[nH+]1 ZINC000845587135 588234249 /nfs/dbraw/zinc/23/42/49/588234249.db2.gz JIZNQBKEAPGHGC-UHFFFAOYSA-N 1 2 231.343 3.123 20 0 BGADLO C[C@@]1(CCNc2cccc[nH+]2)C[C@]1(F)Cl ZINC000845649225 645376592 /nfs/dbraw/zinc/37/65/92/645376592.db2.gz SMSUJGIIXMNKJM-GHMZBOCLSA-N 1 2 228.698 3.198 20 0 BGADLO C[C@@]1(CCNc2cccc[nH+]2)C[C@@]1(F)Cl ZINC000845649229 645377417 /nfs/dbraw/zinc/37/74/17/645377417.db2.gz SMSUJGIIXMNKJM-MNOVXSKESA-N 1 2 228.698 3.198 20 0 BGADLO C[C@]1(CCNc2cccc[nH+]2)C[C@@]1(F)Cl ZINC000845649230 645377352 /nfs/dbraw/zinc/37/73/52/645377352.db2.gz SMSUJGIIXMNKJM-QWRGUYRKSA-N 1 2 228.698 3.198 20 0 BGADLO C[C@]1(CCNc2cccc[nH+]2)C[C@]1(F)Cl ZINC000845649231 645376216 /nfs/dbraw/zinc/37/62/16/645376216.db2.gz SMSUJGIIXMNKJM-WDEREUQCSA-N 1 2 228.698 3.198 20 0 BGADLO ClC1(Cl)C[C@H]1CCCNc1cccc[nH+]1 ZINC000845743029 588243333 /nfs/dbraw/zinc/24/33/33/588243333.db2.gz NWGSYXLPHIXVOV-SECBINFHSA-N 1 2 245.153 3.468 20 0 BGADLO ClC1(Cl)C[C@@H]1CCCNc1cccc[nH+]1 ZINC000845743031 588243364 /nfs/dbraw/zinc/24/33/64/588243364.db2.gz NWGSYXLPHIXVOV-VIFPVBQESA-N 1 2 245.153 3.468 20 0 BGADLO CC(C)c1nc(NC2CC3(CCC3)C2)cc[nH+]1 ZINC000845756775 588243774 /nfs/dbraw/zinc/24/37/74/588243774.db2.gz RNBJYHPLWQZFQJ-UHFFFAOYSA-N 1 2 231.343 3.345 20 0 BGADLO Cc1ccc(C[N@@H+](C)CCF)c(Cl)c1 ZINC000845976504 588252312 /nfs/dbraw/zinc/25/23/12/588252312.db2.gz KCOODRJEQFKZFR-UHFFFAOYSA-N 1 2 215.699 3.050 20 0 BGADLO Cc1ccc(C[N@H+](C)CCF)c(Cl)c1 ZINC000845976504 588252311 /nfs/dbraw/zinc/25/23/11/588252311.db2.gz KCOODRJEQFKZFR-UHFFFAOYSA-N 1 2 215.699 3.050 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CC[C@H]1C1CC1 ZINC000846061539 588254993 /nfs/dbraw/zinc/25/49/93/588254993.db2.gz OKYFGQFNBUWWMQ-WDEREUQCSA-N 1 2 234.368 3.404 20 0 BGADLO CSc1ccc[nH+]c1N[C@H]1CC[C@H]1C ZINC000846061855 588255053 /nfs/dbraw/zinc/25/50/53/588255053.db2.gz VASYHYLIAIHKGL-BDAKNGLRSA-N 1 2 208.330 3.014 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CC[C@@H]1C ZINC000846061856 588254910 /nfs/dbraw/zinc/25/49/10/588254910.db2.gz VASYHYLIAIHKGL-DTWKUNHWSA-N 1 2 208.330 3.014 20 0 BGADLO CSc1ccc[nH+]c1N[C@H]1CC[C@@H]1C ZINC000846061857 588254968 /nfs/dbraw/zinc/25/49/68/588254968.db2.gz VASYHYLIAIHKGL-IUCAKERBSA-N 1 2 208.330 3.014 20 0 BGADLO CSc1ccc[nH+]c1N[C@@H]1CC[C@H]1C ZINC000846061858 588255125 /nfs/dbraw/zinc/25/51/25/588255125.db2.gz VASYHYLIAIHKGL-RKDXNWHRSA-N 1 2 208.330 3.014 20 0 BGADLO CCc1cc[nH+]cc1NC1CC(C(F)F)C1 ZINC000846073094 588255676 /nfs/dbraw/zinc/25/56/76/588255676.db2.gz YMUQEBZTECWNPJ-UHFFFAOYSA-N 1 2 226.270 3.100 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CC[C@@H]1C1CC1 ZINC000846073122 588255571 /nfs/dbraw/zinc/25/55/71/588255571.db2.gz YZENANYLLHORHS-CHWSQXEVSA-N 1 2 216.328 3.245 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CC[C@@H]1C1CC1 ZINC000846073131 588255632 /nfs/dbraw/zinc/25/56/32/588255632.db2.gz YZENANYLLHORHS-OLZOCXBDSA-N 1 2 216.328 3.245 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CC[C@H]1C1CC1 ZINC000846073134 588255558 /nfs/dbraw/zinc/25/55/58/588255558.db2.gz YZENANYLLHORHS-QWHCGFSZSA-N 1 2 216.328 3.245 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CC[C@H]1C1CC1 ZINC000846073137 588255530 /nfs/dbraw/zinc/25/55/30/588255530.db2.gz YZENANYLLHORHS-STQMWFEESA-N 1 2 216.328 3.245 20 0 BGADLO CSc1cc(NCc2cn(C)c[nH+]2)ccc1C ZINC000846106559 588256776 /nfs/dbraw/zinc/25/67/76/588256776.db2.gz CJBXOSGJFPBBFF-UHFFFAOYSA-N 1 2 247.367 3.063 20 0 BGADLO FC1(F)[C@H]2C[N@@H+](Cc3ccsc3Cl)C[C@H]21 ZINC000846110509 588257052 /nfs/dbraw/zinc/25/70/52/588257052.db2.gz GYYBSBUEKKMHEQ-OCAPTIKFSA-N 1 2 249.713 3.098 20 0 BGADLO FC1(F)[C@H]2C[N@H+](Cc3ccsc3Cl)C[C@H]21 ZINC000846110509 588257051 /nfs/dbraw/zinc/25/70/51/588257051.db2.gz GYYBSBUEKKMHEQ-OCAPTIKFSA-N 1 2 249.713 3.098 20 0 BGADLO FC1(F)[C@H]2C[N@@H+](Cc3cscc3Cl)C[C@H]21 ZINC000846111054 582649606 /nfs/dbraw/zinc/64/96/06/582649606.db2.gz JYCWSBGJLLXXLB-OCAPTIKFSA-N 1 2 249.713 3.098 20 0 BGADLO FC1(F)[C@H]2C[N@H+](Cc3cscc3Cl)C[C@H]21 ZINC000846111054 582649603 /nfs/dbraw/zinc/64/96/03/582649603.db2.gz JYCWSBGJLLXXLB-OCAPTIKFSA-N 1 2 249.713 3.098 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@@H]2C(C)C)c1 ZINC000846116539 588257948 /nfs/dbraw/zinc/25/79/48/588257948.db2.gz DJFOBDVPSIDSLN-CHWSQXEVSA-N 1 2 234.343 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CC[C@@H]2C(C)C)c1 ZINC000846116540 588257940 /nfs/dbraw/zinc/25/79/40/588257940.db2.gz DJFOBDVPSIDSLN-OLZOCXBDSA-N 1 2 234.343 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CC[C@H]2C(C)C)c1 ZINC000846116541 588257891 /nfs/dbraw/zinc/25/78/91/588257891.db2.gz DJFOBDVPSIDSLN-QWHCGFSZSA-N 1 2 234.343 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CC[C@H]2C(C)C)c1 ZINC000846116542 588257814 /nfs/dbraw/zinc/25/78/14/588257814.db2.gz DJFOBDVPSIDSLN-STQMWFEESA-N 1 2 234.343 3.075 20 0 BGADLO COCc1cc[nH+]c(N[C@H](C)CC(C)(C)C)c1 ZINC000846117124 588257862 /nfs/dbraw/zinc/25/78/62/588257862.db2.gz KZJASDHVRKIFFS-LLVKDONJSA-N 1 2 236.359 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H](C)CC(C)(C)C)c1 ZINC000846117125 588257723 /nfs/dbraw/zinc/25/77/23/588257723.db2.gz KZJASDHVRKIFFS-NSHDSACASA-N 1 2 236.359 3.465 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@H]3C[C@]32C)c1 ZINC000846117362 588257923 /nfs/dbraw/zinc/25/79/23/588257923.db2.gz NVHXJQPWWVWVDX-GZBFAFLISA-N 1 2 246.354 3.219 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCC[C@@H]3C[C@@]32C)c1 ZINC000846117363 588257944 /nfs/dbraw/zinc/25/79/44/588257944.db2.gz NVHXJQPWWVWVDX-NFAWXSAZSA-N 1 2 246.354 3.219 20 0 BGADLO CC(C)C[NH2+]c1ccc2c(c1)C[C@H](C)O2 ZINC000846745153 588284260 /nfs/dbraw/zinc/28/42/60/588284260.db2.gz CFIYGJFZEAADRN-JTQLQIEISA-N 1 2 205.301 3.078 20 0 BGADLO CC(C)C[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846745154 588284311 /nfs/dbraw/zinc/28/43/11/588284311.db2.gz CFIYGJFZEAADRN-SNVBAGLBSA-N 1 2 205.301 3.078 20 0 BGADLO CCCC[NH2+]c1ccc2c(c1)C[C@H](C)O2 ZINC000846745175 588284465 /nfs/dbraw/zinc/28/44/65/588284465.db2.gz DCXDICHSEXNEOY-JTQLQIEISA-N 1 2 205.301 3.222 20 0 BGADLO CCCC[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846745177 588284346 /nfs/dbraw/zinc/28/43/46/588284346.db2.gz DCXDICHSEXNEOY-SNVBAGLBSA-N 1 2 205.301 3.222 20 0 BGADLO C[C@H]1Cc2cc([NH2+]CC3CCC3)ccc2O1 ZINC000846745676 588284340 /nfs/dbraw/zinc/28/43/40/588284340.db2.gz LKTGGIFHPMHYOZ-JTQLQIEISA-N 1 2 217.312 3.222 20 0 BGADLO C[C@@H]1Cc2cc([NH2+]CC3CCC3)ccc2O1 ZINC000846745677 588284061 /nfs/dbraw/zinc/28/40/61/588284061.db2.gz LKTGGIFHPMHYOZ-SNVBAGLBSA-N 1 2 217.312 3.222 20 0 BGADLO c1cc([NH2+]CC2CCSCC2)cc2c1OCC2 ZINC000846747191 588284479 /nfs/dbraw/zinc/28/44/79/588284479.db2.gz BVGPTSOJAKMHSI-UHFFFAOYSA-N 1 2 249.379 3.177 20 0 BGADLO COc1ccc([NH2+]CC2CCSCC2)cc1 ZINC000846747350 588284430 /nfs/dbraw/zinc/28/44/30/588284430.db2.gz FLONYLNPZAEGNX-UHFFFAOYSA-N 1 2 237.368 3.250 20 0 BGADLO C[C@@H]1C[C@@H]1C[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846748470 588284532 /nfs/dbraw/zinc/28/45/32/588284532.db2.gz QETKLXKAFXZIKT-CKYFFXLPSA-N 1 2 217.312 3.078 20 0 BGADLO C[C@@H]1C[C@H]1C[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846748471 588284487 /nfs/dbraw/zinc/28/44/87/588284487.db2.gz QETKLXKAFXZIKT-FOGDFJRCSA-N 1 2 217.312 3.078 20 0 BGADLO C[C@H]1C[C@@H]1C[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846748472 588284567 /nfs/dbraw/zinc/28/45/67/588284567.db2.gz QETKLXKAFXZIKT-HOSYDEDBSA-N 1 2 217.312 3.078 20 0 BGADLO C[C@H]1C[C@H]1C[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846748473 588284605 /nfs/dbraw/zinc/28/46/05/588284605.db2.gz QETKLXKAFXZIKT-UMNHJUIQSA-N 1 2 217.312 3.078 20 0 BGADLO C[C@H]1Cc2cc([NH2+]CCCCF)ccc2O1 ZINC000846749339 588284258 /nfs/dbraw/zinc/28/42/58/588284258.db2.gz HJMLLFAZJWSDCX-JTQLQIEISA-N 1 2 223.291 3.172 20 0 BGADLO C[C@@H]1Cc2cc([NH2+]CCCCF)ccc2O1 ZINC000846749341 588284303 /nfs/dbraw/zinc/28/43/03/588284303.db2.gz HJMLLFAZJWSDCX-SNVBAGLBSA-N 1 2 223.291 3.172 20 0 BGADLO COC1CCC(CNc2ccc(C)[nH+]c2)CC1 ZINC000846749342 588284458 /nfs/dbraw/zinc/28/44/58/588284458.db2.gz HTMHVLVIXQOKOP-UHFFFAOYSA-N 1 2 234.343 3.007 20 0 BGADLO CS[C@H]1CCC[C@H](Nc2c[nH+]cc(C)c2)C1 ZINC000846749512 588284752 /nfs/dbraw/zinc/28/47/52/588284752.db2.gz DVDDDVHHFBFZAA-AAEUAGOBSA-N 1 2 236.384 3.476 20 0 BGADLO CS[C@@H]1CCC[C@@H](Nc2c[nH+]cc(C)c2)C1 ZINC000846749514 588284872 /nfs/dbraw/zinc/28/48/72/588284872.db2.gz DVDDDVHHFBFZAA-DGCLKSJQSA-N 1 2 236.384 3.476 20 0 BGADLO CS[C@@H]1CCC[C@H](Nc2c[nH+]cc(C)c2)C1 ZINC000846749515 588284742 /nfs/dbraw/zinc/28/47/42/588284742.db2.gz DVDDDVHHFBFZAA-WCQYABFASA-N 1 2 236.384 3.476 20 0 BGADLO CS[C@H]1CCC[C@@H](Nc2c[nH+]cc(C)c2)C1 ZINC000846749516 588284838 /nfs/dbraw/zinc/28/48/38/588284838.db2.gz DVDDDVHHFBFZAA-YPMHNXCESA-N 1 2 236.384 3.476 20 0 BGADLO COc1ccc([NH2+]CC2CCC(OC)CC2)cc1 ZINC000846749670 588284255 /nfs/dbraw/zinc/28/42/55/588284255.db2.gz NZFCECVSRCCZAW-UHFFFAOYSA-N 1 2 249.354 3.312 20 0 BGADLO COC1CCC(CNc2c[nH+]cc(C)c2)CC1 ZINC000846750022 588285100 /nfs/dbraw/zinc/28/51/00/588285100.db2.gz VIINJJKFQWISNU-UHFFFAOYSA-N 1 2 234.343 3.007 20 0 BGADLO CS[C@H]1CCC[C@H](Nc2ccc(C)[nH+]c2)C1 ZINC000846750173 588285045 /nfs/dbraw/zinc/28/50/45/588285045.db2.gz NSXZSTOAPGZVNR-AAEUAGOBSA-N 1 2 236.384 3.476 20 0 BGADLO CS[C@@H]1CCC[C@@H](Nc2ccc(C)[nH+]c2)C1 ZINC000846750175 588285144 /nfs/dbraw/zinc/28/51/44/588285144.db2.gz NSXZSTOAPGZVNR-DGCLKSJQSA-N 1 2 236.384 3.476 20 0 BGADLO CS[C@@H]1CCC[C@H](Nc2ccc(C)[nH+]c2)C1 ZINC000846750178 588284993 /nfs/dbraw/zinc/28/49/93/588284993.db2.gz NSXZSTOAPGZVNR-WCQYABFASA-N 1 2 236.384 3.476 20 0 BGADLO CS[C@H]1CCC[C@@H](Nc2ccc(C)[nH+]c2)C1 ZINC000846750179 588285030 /nfs/dbraw/zinc/28/50/30/588285030.db2.gz NSXZSTOAPGZVNR-YPMHNXCESA-N 1 2 236.384 3.476 20 0 BGADLO C[C@H]1Cc2cc([NH2+]CC3(C)CC3)ccc2O1 ZINC000846751249 588285344 /nfs/dbraw/zinc/28/53/44/588285344.db2.gz PLDVKFGLDBTETI-JTQLQIEISA-N 1 2 217.312 3.222 20 0 BGADLO C[C@@H]1Cc2cc([NH2+]CC3(C)CC3)ccc2O1 ZINC000846751251 588285382 /nfs/dbraw/zinc/28/53/82/588285382.db2.gz PLDVKFGLDBTETI-SNVBAGLBSA-N 1 2 217.312 3.222 20 0 BGADLO COCC(C)(C)C[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846751550 588285578 /nfs/dbraw/zinc/28/55/78/588285578.db2.gz WHOBDRBYEIBOGX-LLVKDONJSA-N 1 2 249.354 3.095 20 0 BGADLO COCC(C)(C)C[NH2+]c1ccc2c(c1)C[C@H](C)O2 ZINC000846751551 588285543 /nfs/dbraw/zinc/28/55/43/588285543.db2.gz WHOBDRBYEIBOGX-NSHDSACASA-N 1 2 249.354 3.095 20 0 BGADLO Cc1ccc(N[C@@H](C2CC2)C2CCOCC2)c[nH+]1 ZINC000846751846 588285550 /nfs/dbraw/zinc/28/55/50/588285550.db2.gz OCMGFESNWDKFDW-HNNXBMFYSA-N 1 2 246.354 3.007 20 0 BGADLO Cc1ccc(N[C@H](C2CC2)C2CCOCC2)c[nH+]1 ZINC000846751847 588285464 /nfs/dbraw/zinc/28/54/64/588285464.db2.gz OCMGFESNWDKFDW-OAHLLOKOSA-N 1 2 246.354 3.007 20 0 BGADLO C[C@@H]1Cc2cc([NH2+]C[C@H]3CCSC3)ccc2O1 ZINC000846752974 588285770 /nfs/dbraw/zinc/28/57/70/588285770.db2.gz MJTRORQGZOCYSM-GHMZBOCLSA-N 1 2 249.379 3.175 20 0 BGADLO C[C@@H]1Cc2cc([NH2+]C[C@@H]3CCSC3)ccc2O1 ZINC000846752975 588285764 /nfs/dbraw/zinc/28/57/64/588285764.db2.gz MJTRORQGZOCYSM-MNOVXSKESA-N 1 2 249.379 3.175 20 0 BGADLO C[C@H]1Cc2cc([NH2+]C[C@@H]3CCSC3)ccc2O1 ZINC000846752976 588285652 /nfs/dbraw/zinc/28/56/52/588285652.db2.gz MJTRORQGZOCYSM-QWRGUYRKSA-N 1 2 249.379 3.175 20 0 BGADLO C[C@H]1Cc2cc([NH2+]C[C@H]3CCSC3)ccc2O1 ZINC000846752977 588285699 /nfs/dbraw/zinc/28/56/99/588285699.db2.gz MJTRORQGZOCYSM-WDEREUQCSA-N 1 2 249.379 3.175 20 0 BGADLO Cc1ccc(N[C@@H]2CCOC3(CCCC3)C2)c[nH+]1 ZINC000846753189 588285835 /nfs/dbraw/zinc/28/58/35/588285835.db2.gz OEOKSZSXNUEFIU-CYBMUJFWSA-N 1 2 246.354 3.294 20 0 BGADLO Cc1ccc(N[C@H]2CCOC3(CCCC3)C2)c[nH+]1 ZINC000846753190 588285825 /nfs/dbraw/zinc/28/58/25/588285825.db2.gz OEOKSZSXNUEFIU-ZDUSSCGKSA-N 1 2 246.354 3.294 20 0 BGADLO CSC1(C[NH2+]c2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000846753337 588285691 /nfs/dbraw/zinc/28/56/91/588285691.db2.gz MVUWNZMEZOULSH-JTQLQIEISA-N 1 2 249.379 3.318 20 0 BGADLO CSC1(C[NH2+]c2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000846753338 588285682 /nfs/dbraw/zinc/28/56/82/588285682.db2.gz MVUWNZMEZOULSH-SNVBAGLBSA-N 1 2 249.379 3.318 20 0 BGADLO Cc1c[nH+]cc(N[C@@H]2CCOC3(CCCC3)C2)c1 ZINC000846753629 588285794 /nfs/dbraw/zinc/28/57/94/588285794.db2.gz XJIBRRWEEKVOOS-CYBMUJFWSA-N 1 2 246.354 3.294 20 0 BGADLO Cc1c[nH+]cc(N[C@H]2CCOC3(CCCC3)C2)c1 ZINC000846753630 588285760 /nfs/dbraw/zinc/28/57/60/588285760.db2.gz XJIBRRWEEKVOOS-ZDUSSCGKSA-N 1 2 246.354 3.294 20 0 BGADLO COc1ccc([NH2+]C2CC3(CCC3)C2)cc1 ZINC000846753869 588285748 /nfs/dbraw/zinc/28/57/48/588285748.db2.gz BIZOUDGUMCMSHW-UHFFFAOYSA-N 1 2 217.312 3.440 20 0 BGADLO C[C@@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846755668 588286078 /nfs/dbraw/zinc/28/60/78/588286078.db2.gz LWOSWXKQBPSERP-BREBYQMCSA-N 1 2 217.312 3.220 20 0 BGADLO C[C@H]1CC[C@@H]1[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846755670 588286144 /nfs/dbraw/zinc/28/61/44/588286144.db2.gz LWOSWXKQBPSERP-CWSCBRNRSA-N 1 2 217.312 3.220 20 0 BGADLO C[C@@H]1CC[C@H]1[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846755672 588286151 /nfs/dbraw/zinc/28/61/51/588286151.db2.gz LWOSWXKQBPSERP-GIPNMCIBSA-N 1 2 217.312 3.220 20 0 BGADLO C[C@H]1CC[C@H]1[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000846755673 588286122 /nfs/dbraw/zinc/28/61/22/588286122.db2.gz LWOSWXKQBPSERP-OPQQBVKSSA-N 1 2 217.312 3.220 20 0 BGADLO CC(C)[C@@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846767964 588287107 /nfs/dbraw/zinc/28/71/07/588287107.db2.gz SUUBNUJEQZTTAA-CYBMUJFWSA-N 1 2 247.367 3.025 20 0 BGADLO CC(C)[C@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846767965 588287160 /nfs/dbraw/zinc/28/71/60/588287160.db2.gz SUUBNUJEQZTTAA-ZDUSSCGKSA-N 1 2 247.367 3.025 20 0 BGADLO Fc1cc(C[NH+]2C3CCC2CC3)cnc1Cl ZINC000846773655 588287301 /nfs/dbraw/zinc/28/73/01/588287301.db2.gz QIYUHSKFALXAGY-UHFFFAOYSA-N 1 2 240.709 3.001 20 0 BGADLO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1cnsn1 ZINC000846782222 588287843 /nfs/dbraw/zinc/28/78/43/588287843.db2.gz RXMSQAGAOGLHBZ-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1cnsn1 ZINC000846782222 588287842 /nfs/dbraw/zinc/28/78/42/588287842.db2.gz RXMSQAGAOGLHBZ-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1cnsn1 ZINC000846782223 588288060 /nfs/dbraw/zinc/28/80/60/588288060.db2.gz RXMSQAGAOGLHBZ-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccccc1[C@H](C)[N@H+](C)Cc1cnsn1 ZINC000846782223 588288059 /nfs/dbraw/zinc/28/80/59/588288059.db2.gz RXMSQAGAOGLHBZ-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO CC1=CC[N@@H+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846835774 588291919 /nfs/dbraw/zinc/29/19/19/588291919.db2.gz CUZKUSWEHKELFJ-UHFFFAOYSA-N 1 2 240.709 3.026 20 0 BGADLO CC1=CC[N@H+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846835774 588291918 /nfs/dbraw/zinc/29/19/18/588291918.db2.gz CUZKUSWEHKELFJ-UHFFFAOYSA-N 1 2 240.709 3.026 20 0 BGADLO CCC[C@@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846839188 588292311 /nfs/dbraw/zinc/29/23/11/588292311.db2.gz FIFSIXWSLPWXGN-CYBMUJFWSA-N 1 2 247.367 3.169 20 0 BGADLO CCC[C@H]([NH2+]Cc1cnsn1)c1ccccc1 ZINC000846839189 588292463 /nfs/dbraw/zinc/29/24/63/588292463.db2.gz FIFSIXWSLPWXGN-ZDUSSCGKSA-N 1 2 247.367 3.169 20 0 BGADLO CC[C@@H]([NH2+]Cc1cnsn1)c1ccc(C)cc1 ZINC000846842435 588292707 /nfs/dbraw/zinc/29/27/07/588292707.db2.gz XKBMMRQKAPTOGW-CYBMUJFWSA-N 1 2 247.367 3.087 20 0 BGADLO CC[C@H]([NH2+]Cc1cnsn1)c1ccc(C)cc1 ZINC000846842436 588292747 /nfs/dbraw/zinc/29/27/47/588292747.db2.gz XKBMMRQKAPTOGW-ZDUSSCGKSA-N 1 2 247.367 3.087 20 0 BGADLO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cnsn2)c1 ZINC000846844031 588292887 /nfs/dbraw/zinc/29/28/87/588292887.db2.gz KXPWBLBEAOJGSM-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cc(C)cc([C@H](C)[NH2+]Cc2cnsn2)c1 ZINC000846844032 588292678 /nfs/dbraw/zinc/29/26/78/588292678.db2.gz KXPWBLBEAOJGSM-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cccc([C@@H](C)[NH2+]Cc2cnsn2)c1C ZINC000846844626 588292906 /nfs/dbraw/zinc/29/29/06/588292906.db2.gz CUTSEJVQFBJJJH-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cccc([C@H](C)[NH2+]Cc2cnsn2)c1C ZINC000846844627 588293104 /nfs/dbraw/zinc/29/31/04/588293104.db2.gz CUTSEJVQFBJJJH-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO CC1=CCC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846892770 588295994 /nfs/dbraw/zinc/29/59/94/588295994.db2.gz WDNWFEXLYXGMEO-UHFFFAOYSA-N 1 2 240.709 3.026 20 0 BGADLO CC1=CCC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000846892770 588295993 /nfs/dbraw/zinc/29/59/93/588295993.db2.gz WDNWFEXLYXGMEO-UHFFFAOYSA-N 1 2 240.709 3.026 20 0 BGADLO CCC[N@@H+](CC(F)(F)C(F)F)C(C)C ZINC000847033112 588304538 /nfs/dbraw/zinc/30/45/38/588304538.db2.gz NLNJNXSUGBIPLE-UHFFFAOYSA-N 1 2 215.234 3.007 20 0 BGADLO CCC[N@H+](CC(F)(F)C(F)F)C(C)C ZINC000847033112 588304537 /nfs/dbraw/zinc/30/45/37/588304537.db2.gz NLNJNXSUGBIPLE-UHFFFAOYSA-N 1 2 215.234 3.007 20 0 BGADLO CC(C)c1ccccc1C[NH2+]C(CF)CF ZINC000848554018 588396770 /nfs/dbraw/zinc/39/67/70/588396770.db2.gz TYVURCQVWVMRSB-UHFFFAOYSA-N 1 2 227.298 3.207 20 0 BGADLO CC(C)c1nc(NC2(C)CC=CC2)cc[nH+]1 ZINC000848745674 588410457 /nfs/dbraw/zinc/41/04/57/588410457.db2.gz GWJRNUMKQYJRCE-UHFFFAOYSA-N 1 2 217.316 3.121 20 0 BGADLO CC(C)c1ccccc1C[N@@H+](C)Cc1ccon1 ZINC000848888213 588417942 /nfs/dbraw/zinc/41/79/42/588417942.db2.gz OZLJRTLTIUSJQX-UHFFFAOYSA-N 1 2 244.338 3.430 20 0 BGADLO CC(C)c1ccccc1C[N@H+](C)Cc1ccon1 ZINC000848888213 588417941 /nfs/dbraw/zinc/41/79/41/588417941.db2.gz OZLJRTLTIUSJQX-UHFFFAOYSA-N 1 2 244.338 3.430 20 0 BGADLO CCOc1ccc([NH2+]CCC2(O)CCC2)c(C)c1 ZINC000849313798 588471743 /nfs/dbraw/zinc/47/17/43/588471743.db2.gz NIIJZPCSQFGMHC-UHFFFAOYSA-N 1 2 249.354 3.111 20 0 BGADLO COc1cc(C)c([NH2+]CCC2(O)CCC2)cc1C ZINC000849316325 588471901 /nfs/dbraw/zinc/47/19/01/588471901.db2.gz YVUVEQXWSRALMN-UHFFFAOYSA-N 1 2 249.354 3.029 20 0 BGADLO c1cc(CNc2c[nH+]cc3c2CCCC3)co1 ZINC000849346884 588474404 /nfs/dbraw/zinc/47/44/04/588474404.db2.gz GPMULMHJNIZENI-UHFFFAOYSA-N 1 2 228.295 3.166 20 0 BGADLO CCCC=CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000849366306 588476087 /nfs/dbraw/zinc/47/60/87/588476087.db2.gz YRGFCPXSZBKDDH-AATRIKPKSA-N 1 2 243.310 3.166 20 0 BGADLO CCCC=CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000849366307 588476067 /nfs/dbraw/zinc/47/60/67/588476067.db2.gz YRGFCPXSZBKDDH-WAYWQWQTSA-N 1 2 243.310 3.166 20 0 BGADLO Cc1ccc(COC(=O)[C@H]2CCC2(C)C)c(C)[nH+]1 ZINC000850070325 588517841 /nfs/dbraw/zinc/51/78/41/588517841.db2.gz IBVLLIUDTCTPKO-CYBMUJFWSA-N 1 2 247.338 3.178 20 0 BGADLO Cc1ccc(COC(=O)[C@@H]2CCC2(C)C)c(C)[nH+]1 ZINC000850070326 588517730 /nfs/dbraw/zinc/51/77/30/588517730.db2.gz IBVLLIUDTCTPKO-ZDUSSCGKSA-N 1 2 247.338 3.178 20 0 BGADLO CC[C@H]1C[C@H](Nc2ccc([NH+](C)C)c(C)c2)CO1 ZINC000850205782 588528712 /nfs/dbraw/zinc/52/87/12/588528712.db2.gz HLIZOTVCZMAMCG-KBPBESRZSA-N 1 2 248.370 3.040 20 0 BGADLO CC[C@H]1C[C@@H](Nc2ccc([NH+](C)C)c(C)c2)CO1 ZINC000850205785 588528520 /nfs/dbraw/zinc/52/85/20/588528520.db2.gz HLIZOTVCZMAMCG-KGLIPLIRSA-N 1 2 248.370 3.040 20 0 BGADLO CC[C@@H]1C[C@H](Nc2ccc([NH+](C)C)c(C)c2)CO1 ZINC000850205788 588528577 /nfs/dbraw/zinc/52/85/77/588528577.db2.gz HLIZOTVCZMAMCG-UONOGXRCSA-N 1 2 248.370 3.040 20 0 BGADLO CC[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)c(C)c2)CO1 ZINC000850205790 588528830 /nfs/dbraw/zinc/52/88/30/588528830.db2.gz HLIZOTVCZMAMCG-ZIAGYGMSSA-N 1 2 248.370 3.040 20 0 BGADLO FC1(F)C[C@H]1Oc1ccc([NH2+]CC2CC2)cc1 ZINC000850403010 588544581 /nfs/dbraw/zinc/54/45/81/588544581.db2.gz AROYHXYKFXDOOB-GFCCVEGCSA-N 1 2 239.265 3.295 20 0 BGADLO FC1(F)C[C@@H]1Oc1ccc([NH2+]CC2CC2)cc1 ZINC000850403011 588544185 /nfs/dbraw/zinc/54/41/85/588544185.db2.gz AROYHXYKFXDOOB-LBPRGKRZSA-N 1 2 239.265 3.295 20 0 BGADLO Cc1ccc(C[NH2+]CC(F)(F)C(C)(C)C)cn1 ZINC000850409576 588544401 /nfs/dbraw/zinc/54/44/01/588544401.db2.gz BPIMQZARCYLREL-UHFFFAOYSA-N 1 2 242.313 3.161 20 0 BGADLO Cc1ncc(C[NH2+]CC(F)(F)C(C)(C)C)s1 ZINC000850410017 588544366 /nfs/dbraw/zinc/54/43/66/588544366.db2.gz LRQBQIZPICRSEY-UHFFFAOYSA-N 1 2 248.342 3.223 20 0 BGADLO CC(C)(C)C(F)(F)C[NH2+]Cc1ccoc1 ZINC000850410018 588544592 /nfs/dbraw/zinc/54/45/92/588544592.db2.gz LSQFAORZMRMBBY-UHFFFAOYSA-N 1 2 217.259 3.051 20 0 BGADLO COc1ccc([NH2+]C2CC(CF)(CF)C2)cc1 ZINC000850449388 588547618 /nfs/dbraw/zinc/54/76/18/588547618.db2.gz WQXSIXYASAJHMM-UHFFFAOYSA-N 1 2 241.281 3.195 20 0 BGADLO COC1([C@@H](C)Nc2ccc([NH+](C)C)cc2)CCC1 ZINC000850455861 588547845 /nfs/dbraw/zinc/54/78/45/588547845.db2.gz TUVOPXSUFWXTRZ-GFCCVEGCSA-N 1 2 248.370 3.122 20 0 BGADLO COC1([C@H](C)Nc2ccc([NH+](C)C)cc2)CCC1 ZINC000850455862 588548184 /nfs/dbraw/zinc/54/81/84/588548184.db2.gz TUVOPXSUFWXTRZ-LBPRGKRZSA-N 1 2 248.370 3.122 20 0 BGADLO COc1cc(C)c(C)cc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000850503299 588552802 /nfs/dbraw/zinc/55/28/02/588552802.db2.gz WDYGCVHFXFTWAS-LLVKDONJSA-N 1 2 245.326 3.208 20 0 BGADLO COc1cc(C)c(C)cc1N[C@@H](C)c1[nH]cc[nH+]1 ZINC000850503300 588552874 /nfs/dbraw/zinc/55/28/74/588552874.db2.gz WDYGCVHFXFTWAS-NSHDSACASA-N 1 2 245.326 3.208 20 0 BGADLO CC(C)[NH2+]c1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000850563824 588560736 /nfs/dbraw/zinc/56/07/36/588560736.db2.gz GFNHQZNXZMRSHP-LLVKDONJSA-N 1 2 227.254 3.293 20 0 BGADLO CC(C)[NH2+]c1ccc(O[C@H]2CC2(F)F)cc1 ZINC000850563825 588560920 /nfs/dbraw/zinc/56/09/20/588560920.db2.gz GFNHQZNXZMRSHP-NSHDSACASA-N 1 2 227.254 3.293 20 0 BGADLO C[N@@H+](CC=C(Cl)Cl)Cc1ccco1 ZINC000851712636 588615673 /nfs/dbraw/zinc/61/56/73/588615673.db2.gz RDSMCWLEEFTXMP-UHFFFAOYSA-N 1 2 220.099 3.030 20 0 BGADLO C[N@H+](CC=C(Cl)Cl)Cc1ccco1 ZINC000851712636 588615672 /nfs/dbraw/zinc/61/56/72/588615672.db2.gz RDSMCWLEEFTXMP-UHFFFAOYSA-N 1 2 220.099 3.030 20 0 BGADLO ClC(Cl)=CC[N@H+]1CCc2ccccc2C1 ZINC000851713025 588615841 /nfs/dbraw/zinc/61/58/41/588615841.db2.gz XHPPSNZPQLYXPO-UHFFFAOYSA-N 1 2 242.149 3.364 20 0 BGADLO ClC(Cl)=CC[N@@H+]1CCc2ccccc2C1 ZINC000851713025 588615840 /nfs/dbraw/zinc/61/58/40/588615840.db2.gz XHPPSNZPQLYXPO-UHFFFAOYSA-N 1 2 242.149 3.364 20 0 BGADLO C[N@@H+](CC=C(Cl)Cl)Cc1ccsc1 ZINC000851716993 588616274 /nfs/dbraw/zinc/61/62/74/588616274.db2.gz SYEBDJHLTYUOJT-UHFFFAOYSA-N 1 2 236.167 3.499 20 0 BGADLO C[N@H+](CC=C(Cl)Cl)Cc1ccsc1 ZINC000851716993 588616273 /nfs/dbraw/zinc/61/62/73/588616273.db2.gz SYEBDJHLTYUOJT-UHFFFAOYSA-N 1 2 236.167 3.499 20 0 BGADLO C[N@@H+](CC=C(Cl)Cl)Cc1ccccc1 ZINC000851718153 588616150 /nfs/dbraw/zinc/61/61/50/588616150.db2.gz FCILQEGUHCWORW-UHFFFAOYSA-N 1 2 230.138 3.437 20 0 BGADLO C[N@H+](CC=C(Cl)Cl)Cc1ccccc1 ZINC000851718153 588616149 /nfs/dbraw/zinc/61/61/49/588616149.db2.gz FCILQEGUHCWORW-UHFFFAOYSA-N 1 2 230.138 3.437 20 0 BGADLO Cc1ccc(C[N@@H+](C)CC=C(Cl)Cl)o1 ZINC000851718562 588616566 /nfs/dbraw/zinc/61/65/66/588616566.db2.gz KYVNHFGWCRUAIA-UHFFFAOYSA-N 1 2 234.126 3.339 20 0 BGADLO Cc1ccc(C[N@H+](C)CC=C(Cl)Cl)o1 ZINC000851718562 588616565 /nfs/dbraw/zinc/61/65/65/588616565.db2.gz KYVNHFGWCRUAIA-UHFFFAOYSA-N 1 2 234.126 3.339 20 0 BGADLO C[N@@H+](CC=C(Cl)Cl)Cc1cccs1 ZINC000851719295 588616707 /nfs/dbraw/zinc/61/67/07/588616707.db2.gz XVCCFLKSMYVAOP-UHFFFAOYSA-N 1 2 236.167 3.499 20 0 BGADLO C[N@H+](CC=C(Cl)Cl)Cc1cccs1 ZINC000851719295 588616706 /nfs/dbraw/zinc/61/67/06/588616706.db2.gz XVCCFLKSMYVAOP-UHFFFAOYSA-N 1 2 236.167 3.499 20 0 BGADLO ClC(Cl)=CC[N@H+]1CCc2sccc2C1 ZINC000851719751 588616868 /nfs/dbraw/zinc/61/68/68/588616868.db2.gz RKPWOCKCNLBKSF-UHFFFAOYSA-N 1 2 248.178 3.425 20 0 BGADLO ClC(Cl)=CC[N@@H+]1CCc2sccc2C1 ZINC000851719751 588616867 /nfs/dbraw/zinc/61/68/67/588616867.db2.gz RKPWOCKCNLBKSF-UHFFFAOYSA-N 1 2 248.178 3.425 20 0 BGADLO Cc1noc(C)c1C[N@@H+](C)CC=C(Cl)Cl ZINC000851726253 588618213 /nfs/dbraw/zinc/61/82/13/588618213.db2.gz NAMWFYSARGJYCA-UHFFFAOYSA-N 1 2 249.141 3.042 20 0 BGADLO Cc1noc(C)c1C[N@H+](C)CC=C(Cl)Cl ZINC000851726253 588618212 /nfs/dbraw/zinc/61/82/12/588618212.db2.gz NAMWFYSARGJYCA-UHFFFAOYSA-N 1 2 249.141 3.042 20 0 BGADLO C[N@@H+](CC=C(Cl)Cl)Cc1ccoc1 ZINC000851733775 588619944 /nfs/dbraw/zinc/61/99/44/588619944.db2.gz GJTMRWSUTWQUPW-UHFFFAOYSA-N 1 2 220.099 3.030 20 0 BGADLO C[N@H+](CC=C(Cl)Cl)Cc1ccoc1 ZINC000851733775 588619943 /nfs/dbraw/zinc/61/99/43/588619943.db2.gz GJTMRWSUTWQUPW-UHFFFAOYSA-N 1 2 220.099 3.030 20 0 BGADLO Cc1occc1C[N@@H+](C)CC=C(Cl)Cl ZINC000851735454 588620276 /nfs/dbraw/zinc/62/02/76/588620276.db2.gz FIRXBUGSRISRAV-UHFFFAOYSA-N 1 2 234.126 3.339 20 0 BGADLO Cc1occc1C[N@H+](C)CC=C(Cl)Cl ZINC000851735454 588620275 /nfs/dbraw/zinc/62/02/75/588620275.db2.gz FIRXBUGSRISRAV-UHFFFAOYSA-N 1 2 234.126 3.339 20 0 BGADLO CC[N@@H+](CC=C(Cl)Cl)Cc1ccoc1 ZINC000851746339 588621917 /nfs/dbraw/zinc/62/19/17/588621917.db2.gz KDNFMRUDXLPIJB-UHFFFAOYSA-N 1 2 234.126 3.421 20 0 BGADLO CC[N@H+](CC=C(Cl)Cl)Cc1ccoc1 ZINC000851746339 588621916 /nfs/dbraw/zinc/62/19/16/588621916.db2.gz KDNFMRUDXLPIJB-UHFFFAOYSA-N 1 2 234.126 3.421 20 0 BGADLO ClC(Cl)=CC[NH+]1Cc2ccccc2C1 ZINC000851760556 588624167 /nfs/dbraw/zinc/62/41/67/588624167.db2.gz HVFLLFJWKHZVAP-UHFFFAOYSA-N 1 2 228.122 3.321 20 0 BGADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1cccc(F)n1 ZINC000851795744 645469360 /nfs/dbraw/zinc/46/93/60/645469360.db2.gz KCLSDJXKRVUYIY-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1cccc(F)n1 ZINC000851795744 645469353 /nfs/dbraw/zinc/46/93/53/645469353.db2.gz KCLSDJXKRVUYIY-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1cccc(F)n1 ZINC000851795745 645467965 /nfs/dbraw/zinc/46/79/65/645467965.db2.gz KCLSDJXKRVUYIY-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H]1c2ccccc2C[N@H+]1Cc1cccc(F)n1 ZINC000851795745 645467958 /nfs/dbraw/zinc/46/79/58/645467958.db2.gz KCLSDJXKRVUYIY-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO CC[N@@H+](CC=C(Cl)Cl)Cc1ccccn1 ZINC000851809808 582968655 /nfs/dbraw/zinc/96/86/55/582968655.db2.gz YQGCHLHDVGUMRU-UHFFFAOYSA-N 1 2 245.153 3.223 20 0 BGADLO CC[N@H+](CC=C(Cl)Cl)Cc1ccccn1 ZINC000851809808 582968652 /nfs/dbraw/zinc/96/86/52/582968652.db2.gz YQGCHLHDVGUMRU-UHFFFAOYSA-N 1 2 245.153 3.223 20 0 BGADLO C[N@H+](CC=C(Cl)Cl)CCOC(C)(C)C ZINC000851816262 588633117 /nfs/dbraw/zinc/63/31/17/588633117.db2.gz FHQITINHBYDRKG-UHFFFAOYSA-N 1 2 240.174 3.052 20 0 BGADLO C[N@@H+](CC=C(Cl)Cl)CCOC(C)(C)C ZINC000851816262 588633116 /nfs/dbraw/zinc/63/31/16/588633116.db2.gz FHQITINHBYDRKG-UHFFFAOYSA-N 1 2 240.174 3.052 20 0 BGADLO ClC(Cl)=CC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000851822869 588633337 /nfs/dbraw/zinc/63/33/37/588633337.db2.gz BGQMYWRRLZHAPB-JTQLQIEISA-N 1 2 245.153 3.471 20 0 BGADLO ClC(Cl)=CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000851822869 588633336 /nfs/dbraw/zinc/63/33/36/588633336.db2.gz BGQMYWRRLZHAPB-JTQLQIEISA-N 1 2 245.153 3.471 20 0 BGADLO ClC(Cl)=CC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000851822870 588633529 /nfs/dbraw/zinc/63/35/29/588633529.db2.gz BGQMYWRRLZHAPB-SNVBAGLBSA-N 1 2 245.153 3.471 20 0 BGADLO ClC(Cl)=CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000851822870 588633528 /nfs/dbraw/zinc/63/35/28/588633528.db2.gz BGQMYWRRLZHAPB-SNVBAGLBSA-N 1 2 245.153 3.471 20 0 BGADLO Cc1cccc(C[N@@H+](C)CC=C(Cl)Cl)n1 ZINC000851847923 588634657 /nfs/dbraw/zinc/63/46/57/588634657.db2.gz IRNGZCUYKGAMOC-UHFFFAOYSA-N 1 2 245.153 3.141 20 0 BGADLO Cc1cccc(C[N@H+](C)CC=C(Cl)Cl)n1 ZINC000851847923 588634656 /nfs/dbraw/zinc/63/46/56/588634656.db2.gz IRNGZCUYKGAMOC-UHFFFAOYSA-N 1 2 245.153 3.141 20 0 BGADLO C[C@H](c1ccccn1)[N@@H+](C)CC=C(Cl)Cl ZINC000851872689 588637815 /nfs/dbraw/zinc/63/78/15/588637815.db2.gz JEKCJBUPZOHLBM-SECBINFHSA-N 1 2 245.153 3.393 20 0 BGADLO C[C@H](c1ccccn1)[N@H+](C)CC=C(Cl)Cl ZINC000851872689 588637814 /nfs/dbraw/zinc/63/78/14/588637814.db2.gz JEKCJBUPZOHLBM-SECBINFHSA-N 1 2 245.153 3.393 20 0 BGADLO C[C@@H](c1ccccn1)[N@@H+](C)CC=C(Cl)Cl ZINC000851872690 588637648 /nfs/dbraw/zinc/63/76/48/588637648.db2.gz JEKCJBUPZOHLBM-VIFPVBQESA-N 1 2 245.153 3.393 20 0 BGADLO C[C@@H](c1ccccn1)[N@H+](C)CC=C(Cl)Cl ZINC000851872690 588637647 /nfs/dbraw/zinc/63/76/47/588637647.db2.gz JEKCJBUPZOHLBM-VIFPVBQESA-N 1 2 245.153 3.393 20 0 BGADLO C[C@H](c1ccncc1)[N@@H+](C)CC=C(Cl)Cl ZINC000851872966 588637791 /nfs/dbraw/zinc/63/77/91/588637791.db2.gz PEPOUZVZDUGBQF-SECBINFHSA-N 1 2 245.153 3.393 20 0 BGADLO C[C@H](c1ccncc1)[N@H+](C)CC=C(Cl)Cl ZINC000851872966 588637790 /nfs/dbraw/zinc/63/77/90/588637790.db2.gz PEPOUZVZDUGBQF-SECBINFHSA-N 1 2 245.153 3.393 20 0 BGADLO C[C@@H](c1ccncc1)[N@@H+](C)CC=C(Cl)Cl ZINC000851873043 588637788 /nfs/dbraw/zinc/63/77/88/588637788.db2.gz PEPOUZVZDUGBQF-VIFPVBQESA-N 1 2 245.153 3.393 20 0 BGADLO C[C@@H](c1ccncc1)[N@H+](C)CC=C(Cl)Cl ZINC000851873043 588637787 /nfs/dbraw/zinc/63/77/87/588637787.db2.gz PEPOUZVZDUGBQF-VIFPVBQESA-N 1 2 245.153 3.393 20 0 BGADLO C[C@H](c1cccnc1)[N@@H+](C)CC=C(Cl)Cl ZINC000851873367 588637503 /nfs/dbraw/zinc/63/75/03/588637503.db2.gz WDTGBSPALATPDV-SECBINFHSA-N 1 2 245.153 3.393 20 0 BGADLO C[C@H](c1cccnc1)[N@H+](C)CC=C(Cl)Cl ZINC000851873367 588637502 /nfs/dbraw/zinc/63/75/02/588637502.db2.gz WDTGBSPALATPDV-SECBINFHSA-N 1 2 245.153 3.393 20 0 BGADLO C[C@@H](c1cccnc1)[N@@H+](C)CC=C(Cl)Cl ZINC000851873368 588637698 /nfs/dbraw/zinc/63/76/98/588637698.db2.gz WDTGBSPALATPDV-VIFPVBQESA-N 1 2 245.153 3.393 20 0 BGADLO C[C@@H](c1cccnc1)[N@H+](C)CC=C(Cl)Cl ZINC000851873368 588637697 /nfs/dbraw/zinc/63/76/97/588637697.db2.gz WDTGBSPALATPDV-VIFPVBQESA-N 1 2 245.153 3.393 20 0 BGADLO Cc1cc(Cl)ccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000851873757 588638120 /nfs/dbraw/zinc/63/81/20/588638120.db2.gz MMUSBPUEBZPYQD-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)ccc1C[N@@H+](C)Cc1ncc[nH]1 ZINC000851873757 588638119 /nfs/dbraw/zinc/63/81/19/588638119.db2.gz MMUSBPUEBZPYQD-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)ccc1C[N@H+](C)Cc1ncc[nH]1 ZINC000851873757 588638118 /nfs/dbraw/zinc/63/81/18/588638118.db2.gz MMUSBPUEBZPYQD-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO FC(F)(F)[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000851875282 588638035 /nfs/dbraw/zinc/63/80/35/588638035.db2.gz NQBMWOBNDIILLY-LURJTMIESA-N 1 2 248.075 3.190 20 0 BGADLO FC(F)(F)[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC000851875282 588638034 /nfs/dbraw/zinc/63/80/34/588638034.db2.gz NQBMWOBNDIILLY-LURJTMIESA-N 1 2 248.075 3.190 20 0 BGADLO FC(F)(F)[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000851875283 588638010 /nfs/dbraw/zinc/63/80/10/588638010.db2.gz NQBMWOBNDIILLY-ZCFIWIBFSA-N 1 2 248.075 3.190 20 0 BGADLO FC(F)(F)[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC000851875283 588638009 /nfs/dbraw/zinc/63/80/09/588638009.db2.gz NQBMWOBNDIILLY-ZCFIWIBFSA-N 1 2 248.075 3.190 20 0 BGADLO FC1(F)CC2(C[NH+](CC=C(Cl)Cl)C2)C1 ZINC000851878636 588637693 /nfs/dbraw/zinc/63/76/93/588637693.db2.gz DTWZDNUACQKFBJ-UHFFFAOYSA-N 1 2 242.096 3.037 20 0 BGADLO ClC(Cl)=CC[N@H+]1CCc2ccsc2C1 ZINC000851880766 588638231 /nfs/dbraw/zinc/63/82/31/588638231.db2.gz VCRGHUZCNYHVPQ-UHFFFAOYSA-N 1 2 248.178 3.425 20 0 BGADLO ClC(Cl)=CC[N@@H+]1CCc2ccsc2C1 ZINC000851880766 588638230 /nfs/dbraw/zinc/63/82/30/588638230.db2.gz VCRGHUZCNYHVPQ-UHFFFAOYSA-N 1 2 248.178 3.425 20 0 BGADLO CC[N@@H+](CC=C(Cl)Cl)Cc1ccncc1 ZINC000851886976 588640675 /nfs/dbraw/zinc/64/06/75/588640675.db2.gz SZWWJNLHPXISSH-UHFFFAOYSA-N 1 2 245.153 3.223 20 0 BGADLO CC[N@H+](CC=C(Cl)Cl)Cc1ccncc1 ZINC000851886976 588640674 /nfs/dbraw/zinc/64/06/74/588640674.db2.gz SZWWJNLHPXISSH-UHFFFAOYSA-N 1 2 245.153 3.223 20 0 BGADLO CCn1ccc(C[N@@H+](C)CC=C(Cl)Cl)c1 ZINC000851978466 588650850 /nfs/dbraw/zinc/65/08/50/588650850.db2.gz MJTNSWGMXRPOLD-UHFFFAOYSA-N 1 2 247.169 3.259 20 0 BGADLO CCn1ccc(C[N@H+](C)CC=C(Cl)Cl)c1 ZINC000851978466 588650849 /nfs/dbraw/zinc/65/08/49/588650849.db2.gz MJTNSWGMXRPOLD-UHFFFAOYSA-N 1 2 247.169 3.259 20 0 BGADLO FC1(F)CC[NH+](CC=C(Cl)Cl)CC1 ZINC000852001841 588654159 /nfs/dbraw/zinc/65/41/59/588654159.db2.gz OSXGDCOXCXGSKS-UHFFFAOYSA-N 1 2 230.085 3.037 20 0 BGADLO Cc1ccncc1C[N@@H+](C)CC=C(Cl)Cl ZINC000852002075 588654419 /nfs/dbraw/zinc/65/44/19/588654419.db2.gz SASREZUNOVMJLV-UHFFFAOYSA-N 1 2 245.153 3.141 20 0 BGADLO Cc1ccncc1C[N@H+](C)CC=C(Cl)Cl ZINC000852002075 588654418 /nfs/dbraw/zinc/65/44/18/588654418.db2.gz SASREZUNOVMJLV-UHFFFAOYSA-N 1 2 245.153 3.141 20 0 BGADLO ClC(Cl)=CC[N@H+]1CCCc2occc2C1 ZINC000852053704 588657688 /nfs/dbraw/zinc/65/76/88/588657688.db2.gz FCBNJKMEZPUINX-UHFFFAOYSA-N 1 2 246.137 3.347 20 0 BGADLO ClC(Cl)=CC[N@@H+]1CCCc2occc2C1 ZINC000852053704 588657687 /nfs/dbraw/zinc/65/76/87/588657687.db2.gz FCBNJKMEZPUINX-UHFFFAOYSA-N 1 2 246.137 3.347 20 0 BGADLO C[C@@H]1C[N@@H+](CC=C(Cl)Cl)CCC1(F)F ZINC000852055538 588658070 /nfs/dbraw/zinc/65/80/70/588658070.db2.gz DJBBQBBUZNWLDY-SSDOTTSWSA-N 1 2 244.112 3.283 20 0 BGADLO C[C@@H]1C[N@H+](CC=C(Cl)Cl)CCC1(F)F ZINC000852055538 588658069 /nfs/dbraw/zinc/65/80/69/588658069.db2.gz DJBBQBBUZNWLDY-SSDOTTSWSA-N 1 2 244.112 3.283 20 0 BGADLO C[C@H]1C[N@@H+](CC=C(Cl)Cl)CCC1(F)F ZINC000852055539 588658372 /nfs/dbraw/zinc/65/83/72/588658372.db2.gz DJBBQBBUZNWLDY-ZETCQYMHSA-N 1 2 244.112 3.283 20 0 BGADLO C[C@H]1C[N@H+](CC=C(Cl)Cl)CCC1(F)F ZINC000852055539 588658371 /nfs/dbraw/zinc/65/83/71/588658371.db2.gz DJBBQBBUZNWLDY-ZETCQYMHSA-N 1 2 244.112 3.283 20 0 BGADLO Cc1ccoc1C[N@@H+](C)CC=C(Cl)Cl ZINC000852077258 588660366 /nfs/dbraw/zinc/66/03/66/588660366.db2.gz QFHSJHLCXWLXGN-UHFFFAOYSA-N 1 2 234.126 3.339 20 0 BGADLO Cc1ccoc1C[N@H+](C)CC=C(Cl)Cl ZINC000852077258 588660365 /nfs/dbraw/zinc/66/03/65/588660365.db2.gz QFHSJHLCXWLXGN-UHFFFAOYSA-N 1 2 234.126 3.339 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000852096211 588661763 /nfs/dbraw/zinc/66/17/63/588661763.db2.gz ILHZLZVIBXGZNC-SECBINFHSA-N 1 2 226.122 3.129 20 0 BGADLO C[C@@]1(F)CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000852096211 588661762 /nfs/dbraw/zinc/66/17/62/588661762.db2.gz ILHZLZVIBXGZNC-SECBINFHSA-N 1 2 226.122 3.129 20 0 BGADLO C[C@]1(F)CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000852096212 588661942 /nfs/dbraw/zinc/66/19/42/588661942.db2.gz ILHZLZVIBXGZNC-VIFPVBQESA-N 1 2 226.122 3.129 20 0 BGADLO C[C@]1(F)CCC[N@H+](CC=C(Cl)Cl)C1 ZINC000852096212 588661941 /nfs/dbraw/zinc/66/19/41/588661941.db2.gz ILHZLZVIBXGZNC-VIFPVBQESA-N 1 2 226.122 3.129 20 0 BGADLO Cc1ccc(C[N@@H+](C)CC=C(Cl)Cl)nc1 ZINC000852120336 588664955 /nfs/dbraw/zinc/66/49/55/588664955.db2.gz RCJGHNJLJCEGAE-UHFFFAOYSA-N 1 2 245.153 3.141 20 0 BGADLO Cc1ccc(C[N@H+](C)CC=C(Cl)Cl)nc1 ZINC000852120336 588664954 /nfs/dbraw/zinc/66/49/54/588664954.db2.gz RCJGHNJLJCEGAE-UHFFFAOYSA-N 1 2 245.153 3.141 20 0 BGADLO CC[C@@H](C)[N@@H+](CC)CC(F)(F)C(F)F ZINC000852294129 588676719 /nfs/dbraw/zinc/67/67/19/588676719.db2.gz VIKKIYBHWCWGQL-SSDOTTSWSA-N 1 2 215.234 3.007 20 0 BGADLO CC[C@@H](C)[N@H+](CC)CC(F)(F)C(F)F ZINC000852294129 588676718 /nfs/dbraw/zinc/67/67/18/588676718.db2.gz VIKKIYBHWCWGQL-SSDOTTSWSA-N 1 2 215.234 3.007 20 0 BGADLO CC[C@H](C)[N@@H+](CC)CC(F)(F)C(F)F ZINC000852294130 588676931 /nfs/dbraw/zinc/67/69/31/588676931.db2.gz VIKKIYBHWCWGQL-ZETCQYMHSA-N 1 2 215.234 3.007 20 0 BGADLO CC[C@H](C)[N@H+](CC)CC(F)(F)C(F)F ZINC000852294130 588676930 /nfs/dbraw/zinc/67/69/30/588676930.db2.gz VIKKIYBHWCWGQL-ZETCQYMHSA-N 1 2 215.234 3.007 20 0 BGADLO FCC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852427146 645479622 /nfs/dbraw/zinc/47/96/22/645479622.db2.gz TUSCPEMHCHDPPB-GFCCVEGCSA-N 1 2 223.291 3.166 20 0 BGADLO FCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852427146 645479614 /nfs/dbraw/zinc/47/96/14/645479614.db2.gz TUSCPEMHCHDPPB-GFCCVEGCSA-N 1 2 223.291 3.166 20 0 BGADLO FCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852427149 645479027 /nfs/dbraw/zinc/47/90/27/645479027.db2.gz TUSCPEMHCHDPPB-LBPRGKRZSA-N 1 2 223.291 3.166 20 0 BGADLO FCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852427149 645479023 /nfs/dbraw/zinc/47/90/23/645479023.db2.gz TUSCPEMHCHDPPB-LBPRGKRZSA-N 1 2 223.291 3.166 20 0 BGADLO Fc1ccc([C@H]2CC[N@H+]2C/C=C\Cl)cc1 ZINC000852467080 645483559 /nfs/dbraw/zinc/48/35/59/645483559.db2.gz FAPXJKXQQSQALI-JZGNZGOOSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1ccc([C@H]2CC[N@@H+]2C/C=C\Cl)cc1 ZINC000852467080 645483553 /nfs/dbraw/zinc/48/35/53/645483553.db2.gz FAPXJKXQQSQALI-JZGNZGOOSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1ccc([C@@H]2CC[N@H+]2C/C=C\Cl)cc1 ZINC000852467081 645482519 /nfs/dbraw/zinc/48/25/19/645482519.db2.gz FAPXJKXQQSQALI-LTKKOGMMSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1ccc([C@@H]2CC[N@@H+]2C/C=C\Cl)cc1 ZINC000852467081 645482515 /nfs/dbraw/zinc/48/25/15/645482515.db2.gz FAPXJKXQQSQALI-LTKKOGMMSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1ccc([C@@H]2CC[N@H+]2C/C=C/Cl)cc1 ZINC000852467082 645481835 /nfs/dbraw/zinc/48/18/35/645481835.db2.gz FAPXJKXQQSQALI-QLUOWFOFSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1ccc([C@@H]2CC[N@@H+]2C/C=C/Cl)cc1 ZINC000852467082 645481834 /nfs/dbraw/zinc/48/18/34/645481834.db2.gz FAPXJKXQQSQALI-QLUOWFOFSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1ccc([C@H]2CC[N@H+]2C/C=C/Cl)cc1 ZINC000852467083 588682670 /nfs/dbraw/zinc/68/26/70/588682670.db2.gz FAPXJKXQQSQALI-VRFZCSFXSA-N 1 2 225.694 3.325 20 0 BGADLO Fc1ccc([C@H]2CC[N@@H+]2C/C=C/Cl)cc1 ZINC000852467083 588682669 /nfs/dbraw/zinc/68/26/69/588682669.db2.gz FAPXJKXQQSQALI-VRFZCSFXSA-N 1 2 225.694 3.325 20 0 BGADLO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(F)(F)C(F)F)C1 ZINC000852593031 588692611 /nfs/dbraw/zinc/69/26/11/588692611.db2.gz YUMQQJVRRHKENU-RKDXNWHRSA-N 1 2 241.272 3.397 20 0 BGADLO CC[C@@H]1CC[C@@H](C)[N@H+](CC(F)(F)C(F)F)C1 ZINC000852593031 588692610 /nfs/dbraw/zinc/69/26/10/588692610.db2.gz YUMQQJVRRHKENU-RKDXNWHRSA-N 1 2 241.272 3.397 20 0 BGADLO CCC(CC)CCC[N@@H+](C)Cc1cnsn1 ZINC000852669673 588695097 /nfs/dbraw/zinc/69/50/97/588695097.db2.gz RFHPCBACOVTSCL-UHFFFAOYSA-N 1 2 241.404 3.186 20 0 BGADLO CCC(CC)CCC[N@H+](C)Cc1cnsn1 ZINC000852669673 588695096 /nfs/dbraw/zinc/69/50/96/588695096.db2.gz RFHPCBACOVTSCL-UHFFFAOYSA-N 1 2 241.404 3.186 20 0 BGADLO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(F)(F)C(F)F ZINC000852701118 588696701 /nfs/dbraw/zinc/69/67/01/588696701.db2.gz MMSIFBGAHITVBR-CBLAIPOGSA-N 1 2 239.256 3.150 20 0 BGADLO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(F)(F)C(F)F ZINC000852701118 588696700 /nfs/dbraw/zinc/69/67/00/588696700.db2.gz MMSIFBGAHITVBR-CBLAIPOGSA-N 1 2 239.256 3.150 20 0 BGADLO COc1cc(C)c([NH2+]CC2(C)COC2)c(C)c1C ZINC000853062515 588718447 /nfs/dbraw/zinc/71/84/47/588718447.db2.gz RKKGFVQKAKHRNK-UHFFFAOYSA-N 1 2 249.354 3.069 20 0 BGADLO CC(C)c1cccc(C[NH2+]C(CF)CF)c1 ZINC000853089354 588719492 /nfs/dbraw/zinc/71/94/92/588719492.db2.gz OSNKPBXXKWZOKU-UHFFFAOYSA-N 1 2 227.298 3.207 20 0 BGADLO CC(C)=CCCO[NH+]=C(N)c1cccc(F)c1 ZINC000853663142 588753944 /nfs/dbraw/zinc/75/39/44/588753944.db2.gz TXIOTWLXAZKACP-UHFFFAOYSA-N 1 2 236.290 3.029 20 0 BGADLO CC(C)=CCCO[NH+]=C(N)Cc1cccs1 ZINC000853666430 588753875 /nfs/dbraw/zinc/75/38/75/588753875.db2.gz HCJGFPIZDXAPDI-UHFFFAOYSA-N 1 2 238.356 3.145 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1oc(C)nc1C ZINC000853691679 588756875 /nfs/dbraw/zinc/75/68/75/588756875.db2.gz BBLWUPUYGKNTPL-UHFFFAOYSA-N 1 2 246.310 3.136 20 0 BGADLO Cc1oncc1CSCc1ccc(C)[nH+]c1C ZINC000853771919 588762532 /nfs/dbraw/zinc/76/25/32/588762532.db2.gz FVLJCJOOEYVHCW-UHFFFAOYSA-N 1 2 248.351 3.428 20 0 BGADLO Cc1ccc(CSCCOC(F)F)c(C)[nH+]1 ZINC000853772035 588762462 /nfs/dbraw/zinc/76/24/62/588762462.db2.gz HSCVZQYGPMAPID-UHFFFAOYSA-N 1 2 247.310 3.171 20 0 BGADLO CN(C)c1cc(CSCC2CC=CC2)cc[nH+]1 ZINC000853772803 588762495 /nfs/dbraw/zinc/76/24/95/588762495.db2.gz XWDNEIYXPMLWCJ-UHFFFAOYSA-N 1 2 248.395 3.347 20 0 BGADLO Cc1oncc1CSCCc1cccc(C)[nH+]1 ZINC000853786115 588763340 /nfs/dbraw/zinc/76/33/40/588763340.db2.gz BVRLCOBHZDJSPM-UHFFFAOYSA-N 1 2 248.351 3.162 20 0 BGADLO CC(C)c1nc(N[C@H](C)c2cscn2)cc[nH+]1 ZINC000853804028 588764213 /nfs/dbraw/zinc/76/42/13/588764213.db2.gz KHZDPXBYYUPOFS-SECBINFHSA-N 1 2 248.355 3.230 20 0 BGADLO CC(C)c1nc(N[C@@H](C)c2cscn2)cc[nH+]1 ZINC000853804030 588764217 /nfs/dbraw/zinc/76/42/17/588764217.db2.gz KHZDPXBYYUPOFS-VIFPVBQESA-N 1 2 248.355 3.230 20 0 BGADLO CC(C)c1nc(NCCC(C)(C)F)cc[nH+]1 ZINC000853841665 588765780 /nfs/dbraw/zinc/76/57/80/588765780.db2.gz UKYQPLOURONTNX-UHFFFAOYSA-N 1 2 225.311 3.150 20 0 BGADLO CC(C)c1nc(NC[C@@]2(C)CC2(F)F)cc[nH+]1 ZINC000853850530 588765864 /nfs/dbraw/zinc/76/58/64/588765864.db2.gz UKFCUYANJNUXSB-LLVKDONJSA-N 1 2 241.285 3.057 20 0 BGADLO CC(C)c1nc(NC[C@]2(C)CC2(F)F)cc[nH+]1 ZINC000853850531 588765827 /nfs/dbraw/zinc/76/58/27/588765827.db2.gz UKFCUYANJNUXSB-NSHDSACASA-N 1 2 241.285 3.057 20 0 BGADLO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000853861388 588766479 /nfs/dbraw/zinc/76/64/79/588766479.db2.gz YTIGNSRCIXEZFC-LLVKDONJSA-N 1 2 219.332 3.201 20 0 BGADLO CC[C@H](Nc1cc[nH+]c(C(C)C)n1)C1CC1 ZINC000853861389 588766501 /nfs/dbraw/zinc/76/65/01/588766501.db2.gz YTIGNSRCIXEZFC-NSHDSACASA-N 1 2 219.332 3.201 20 0 BGADLO CC(C)c1nc(NCC2=CCCC2)cc[nH+]1 ZINC000853918434 583070899 /nfs/dbraw/zinc/07/08/99/583070899.db2.gz MFBDDTVILGLCFR-UHFFFAOYSA-N 1 2 217.316 3.122 20 0 BGADLO CC(C)c1nc(NCCCc2ccco2)cc[nH+]1 ZINC000853961716 588770328 /nfs/dbraw/zinc/77/03/28/588770328.db2.gz LIQGGUPFYLXGCK-UHFFFAOYSA-N 1 2 245.326 3.238 20 0 BGADLO CC(C)c1nc(N2[C@@H]3CC[C@H]2CC(C)C3)cc[nH+]1 ZINC000853965182 588770534 /nfs/dbraw/zinc/77/05/34/588770534.db2.gz UTAFASJYAVHDGY-YHWZYXNKSA-N 1 2 245.370 3.367 20 0 BGADLO CC(C)c1nc(NC2CC(C)(C)C2)cc[nH+]1 ZINC000853975978 588770712 /nfs/dbraw/zinc/77/07/12/588770712.db2.gz KXVOWPYVQIBIAM-UHFFFAOYSA-N 1 2 219.332 3.201 20 0 BGADLO CCC[C@@H](C)c1noc(Cc2c[nH+]ccc2C)n1 ZINC000854027717 583071973 /nfs/dbraw/zinc/07/19/73/583071973.db2.gz YAKHSOCAWAEOSL-LLVKDONJSA-N 1 2 245.326 3.267 20 0 BGADLO CCC[C@H](C)c1noc(Cc2c[nH+]ccc2C)n1 ZINC000854027718 583071523 /nfs/dbraw/zinc/07/15/23/583071523.db2.gz YAKHSOCAWAEOSL-NSHDSACASA-N 1 2 245.326 3.267 20 0 BGADLO CC1(C)C[N@@H+](C/C=C/Cl)[C@H]1c1cccnc1 ZINC000854039336 588772348 /nfs/dbraw/zinc/77/23/48/588772348.db2.gz IAWREOVLKUXPEO-FUEXJSSKSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@H+](C/C=C/Cl)[C@H]1c1cccnc1 ZINC000854039336 588772347 /nfs/dbraw/zinc/77/23/47/588772347.db2.gz IAWREOVLKUXPEO-FUEXJSSKSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@@H+](C/C=C/Cl)[C@@H]1c1cccnc1 ZINC000854039338 588772371 /nfs/dbraw/zinc/77/23/71/588772371.db2.gz IAWREOVLKUXPEO-FVOPLDGLSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@H+](C/C=C/Cl)[C@@H]1c1cccnc1 ZINC000854039338 588772370 /nfs/dbraw/zinc/77/23/70/588772370.db2.gz IAWREOVLKUXPEO-FVOPLDGLSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@@H+](C/C=C\Cl)[C@H]1c1cccnc1 ZINC000854039339 588772278 /nfs/dbraw/zinc/77/22/78/588772278.db2.gz IAWREOVLKUXPEO-RNZFLTOJSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@H+](C/C=C\Cl)[C@H]1c1cccnc1 ZINC000854039339 588772277 /nfs/dbraw/zinc/77/22/77/588772277.db2.gz IAWREOVLKUXPEO-RNZFLTOJSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@@H+](C/C=C\Cl)[C@@H]1c1cccnc1 ZINC000854039341 588772310 /nfs/dbraw/zinc/77/23/10/588772310.db2.gz IAWREOVLKUXPEO-TXNVCOODSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@H+](C/C=C\Cl)[C@@H]1c1cccnc1 ZINC000854039341 588772309 /nfs/dbraw/zinc/77/23/09/588772309.db2.gz IAWREOVLKUXPEO-TXNVCOODSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@@H+](C/C=C\Cl)[C@@H]1c1ccncc1 ZINC000854043945 588772382 /nfs/dbraw/zinc/77/23/82/588772382.db2.gz UVDLILSMRUGEFD-GCLPIYDQSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@H+](C/C=C\Cl)[C@@H]1c1ccncc1 ZINC000854043945 588772381 /nfs/dbraw/zinc/77/23/81/588772381.db2.gz UVDLILSMRUGEFD-GCLPIYDQSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@@H+](C/C=C/Cl)[C@@H]1c1ccncc1 ZINC000854043947 588772427 /nfs/dbraw/zinc/77/24/27/588772427.db2.gz UVDLILSMRUGEFD-MJRJWQSSSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@H+](C/C=C/Cl)[C@@H]1c1ccncc1 ZINC000854043947 588772426 /nfs/dbraw/zinc/77/24/26/588772426.db2.gz UVDLILSMRUGEFD-MJRJWQSSSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@@H+](C/C=C\Cl)[C@H]1c1ccncc1 ZINC000854043948 588772273 /nfs/dbraw/zinc/77/22/73/588772273.db2.gz UVDLILSMRUGEFD-RYBZSIHZSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@H+](C/C=C\Cl)[C@H]1c1ccncc1 ZINC000854043948 588772272 /nfs/dbraw/zinc/77/22/72/588772272.db2.gz UVDLILSMRUGEFD-RYBZSIHZSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@@H+](C/C=C/Cl)[C@H]1c1ccncc1 ZINC000854043950 588772397 /nfs/dbraw/zinc/77/23/97/588772397.db2.gz UVDLILSMRUGEFD-UXONFWTHSA-N 1 2 236.746 3.217 20 0 BGADLO CC1(C)C[N@H+](C/C=C/Cl)[C@H]1c1ccncc1 ZINC000854043950 588772396 /nfs/dbraw/zinc/77/23/96/588772396.db2.gz UVDLILSMRUGEFD-UXONFWTHSA-N 1 2 236.746 3.217 20 0 BGADLO Cc1cc[nH+]cc1Cc1noc([C@H](F)C(C)C)n1 ZINC000854100907 588774641 /nfs/dbraw/zinc/77/46/41/588774641.db2.gz KSDNAJDDFHAEND-GFCCVEGCSA-N 1 2 249.289 3.030 20 0 BGADLO Cc1cc[nH+]cc1Cc1noc([C@@H](F)C(C)C)n1 ZINC000854100908 588774788 /nfs/dbraw/zinc/77/47/88/588774788.db2.gz KSDNAJDDFHAEND-LBPRGKRZSA-N 1 2 249.289 3.030 20 0 BGADLO CC[NH2+]Cc1noc(C2CC3(C2)CCCCC3)n1 ZINC000854132229 588775761 /nfs/dbraw/zinc/77/57/61/588775761.db2.gz PUIUEDPECZGSPZ-UHFFFAOYSA-N 1 2 249.358 3.007 20 0 BGADLO CCCC(=CC(=O)N[C@H](C)c1[nH]cc[nH+]1)CCC ZINC000854594208 588796439 /nfs/dbraw/zinc/79/64/39/588796439.db2.gz HBUWAPGWWUXCOT-LLVKDONJSA-N 1 2 249.358 3.114 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000856745211 588875205 /nfs/dbraw/zinc/87/52/05/588875205.db2.gz PAVUOCKKYWZYJM-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000856745211 588875204 /nfs/dbraw/zinc/87/52/04/588875204.db2.gz PAVUOCKKYWZYJM-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000856745212 588875007 /nfs/dbraw/zinc/87/50/07/588875007.db2.gz PAVUOCKKYWZYJM-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000856745212 588875006 /nfs/dbraw/zinc/87/50/06/588875006.db2.gz PAVUOCKKYWZYJM-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO CC(C)c1nc(NCC[C@@H]2CC2(F)F)cc[nH+]1 ZINC000856777746 588877440 /nfs/dbraw/zinc/87/74/40/588877440.db2.gz GKNXKWNAVNCTIB-SECBINFHSA-N 1 2 241.285 3.057 20 0 BGADLO CC(C)c1nc(NCC[C@H]2CC2(F)F)cc[nH+]1 ZINC000856777749 588877596 /nfs/dbraw/zinc/87/75/96/588877596.db2.gz GKNXKWNAVNCTIB-VIFPVBQESA-N 1 2 241.285 3.057 20 0 BGADLO ClC1(Cl)C[C@H]1CCNc1cccc[nH+]1 ZINC000856786030 588877879 /nfs/dbraw/zinc/87/78/79/588877879.db2.gz NIRURVZZVZHRTA-MRVPVSSYSA-N 1 2 231.126 3.077 20 0 BGADLO ClC1(Cl)C[C@@H]1CCNc1cccc[nH+]1 ZINC000856786032 588877845 /nfs/dbraw/zinc/87/78/45/588877845.db2.gz NIRURVZZVZHRTA-QMMMGPOBSA-N 1 2 231.126 3.077 20 0 BGADLO CC(C)c1nc(NCC2CC(C)C2)cc[nH+]1 ZINC000856787744 588877861 /nfs/dbraw/zinc/87/78/61/588877861.db2.gz DHIHBKJGMWXLOW-UHFFFAOYSA-N 1 2 219.332 3.058 20 0 BGADLO CCCc1ccc(C[NH2+]C(CF)CF)s1 ZINC000856789821 588877716 /nfs/dbraw/zinc/87/77/16/588877716.db2.gz QMAWKZJLFIGENZ-UHFFFAOYSA-N 1 2 233.327 3.098 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@H+]1Cc2ccncc2C1 ZINC000857874483 588918328 /nfs/dbraw/zinc/91/83/28/588918328.db2.gz NJWHPBDUKLQOKT-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@@H+]1Cc2ccncc2C1 ZINC000857874483 588918327 /nfs/dbraw/zinc/91/83/27/588918327.db2.gz NJWHPBDUKLQOKT-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@H+]1Cc2ccncc2C1 ZINC000857874487 588917985 /nfs/dbraw/zinc/91/79/85/588917985.db2.gz NJWHPBDUKLQOKT-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1Cc2ccncc2C1 ZINC000857874487 588917983 /nfs/dbraw/zinc/91/79/83/588917983.db2.gz NJWHPBDUKLQOKT-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO CCc1ccc(C[N@H+]2Cc3ccncc3C2)cc1 ZINC000857877443 588918917 /nfs/dbraw/zinc/91/89/17/588918917.db2.gz OGIBNSUINAMDGB-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO CCc1ccc(C[N@@H+]2Cc3ccncc3C2)cc1 ZINC000857877443 588918916 /nfs/dbraw/zinc/91/89/16/588918916.db2.gz OGIBNSUINAMDGB-UHFFFAOYSA-N 1 2 238.334 3.160 20 0 BGADLO Cc1cc(F)ccc1C[N@H+]1Cc2ccncc2C1 ZINC000857878953 588919357 /nfs/dbraw/zinc/91/93/57/588919357.db2.gz PQSKIMKKTLAOMY-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cc(F)ccc1C[N@@H+]1Cc2ccncc2C1 ZINC000857878953 588919356 /nfs/dbraw/zinc/91/93/56/588919356.db2.gz PQSKIMKKTLAOMY-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO FCc1ccc(C[N@H+]2Cc3ccncc3C2)cc1 ZINC000857879201 588919504 /nfs/dbraw/zinc/91/95/04/588919504.db2.gz WBAVLNNELKGOQS-UHFFFAOYSA-N 1 2 242.297 3.067 20 0 BGADLO FCc1ccc(C[N@@H+]2Cc3ccncc3C2)cc1 ZINC000857879201 588919502 /nfs/dbraw/zinc/91/95/02/588919502.db2.gz WBAVLNNELKGOQS-UHFFFAOYSA-N 1 2 242.297 3.067 20 0 BGADLO Cc1ccc(C[N@H+]2Cc3ccncc3C2)cc1C ZINC000857879864 588919735 /nfs/dbraw/zinc/91/97/35/588919735.db2.gz TWSYSCYOGQHWDB-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO Cc1ccc(C[N@@H+]2Cc3ccncc3C2)cc1C ZINC000857879864 588919734 /nfs/dbraw/zinc/91/97/34/588919734.db2.gz TWSYSCYOGQHWDB-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO Cc1ccc(C[N@H+]2Cc3ccncc3C2)c(C)c1 ZINC000857882295 588920028 /nfs/dbraw/zinc/92/00/28/588920028.db2.gz QCTKJBWSXOUTNO-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO Cc1ccc(C[N@@H+]2Cc3ccncc3C2)c(C)c1 ZINC000857882295 588920027 /nfs/dbraw/zinc/92/00/27/588920027.db2.gz QCTKJBWSXOUTNO-UHFFFAOYSA-N 1 2 238.334 3.214 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cnc(C(C)C)s1 ZINC000858258501 588941235 /nfs/dbraw/zinc/94/12/35/588941235.db2.gz BTRUGZOKTVUEJW-UHFFFAOYSA-N 1 2 248.342 3.401 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cc(C)oc1C ZINC000858258879 588941224 /nfs/dbraw/zinc/94/12/24/588941224.db2.gz JMUCSOQOEABHNQ-UHFFFAOYSA-N 1 2 217.259 3.031 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000858259458 588941124 /nfs/dbraw/zinc/94/11/24/588941124.db2.gz TURRSXSEKRVKOR-UHFFFAOYSA-N 1 2 248.704 3.178 20 0 BGADLO CCCOc1ccc(NCc2[nH]cc[nH+]2)cc1C ZINC000858309339 588944048 /nfs/dbraw/zinc/94/40/48/588944048.db2.gz MQBFDBHZBRTEOA-UHFFFAOYSA-N 1 2 245.326 3.119 20 0 BGADLO CCCOc1ccc([NH2+]CC2(C)COC2)cc1C ZINC000858309620 588943732 /nfs/dbraw/zinc/94/37/32/588943732.db2.gz VKQLEIOPKDRKRJ-UHFFFAOYSA-N 1 2 249.354 3.232 20 0 BGADLO COc1ccc[nH+]c1NCc1c(C)cccc1C ZINC000858450069 588956021 /nfs/dbraw/zinc/95/60/21/588956021.db2.gz YHZANCGCODZOKW-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO COc1ccc[nH+]c1N1CCCC2(CCCC2)C1 ZINC000858506609 588961491 /nfs/dbraw/zinc/96/14/91/588961491.db2.gz VEDYBMKYBNERLD-UHFFFAOYSA-N 1 2 246.354 3.251 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000858508513 588961270 /nfs/dbraw/zinc/96/12/70/588961270.db2.gz OSKQHPQLAPSGCR-MRVPVSSYSA-N 1 2 248.704 3.431 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000858508514 588961462 /nfs/dbraw/zinc/96/14/62/588961462.db2.gz OSKQHPQLAPSGCR-QMMMGPOBSA-N 1 2 248.704 3.431 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000858509751 588961697 /nfs/dbraw/zinc/96/16/97/588961697.db2.gz YVYXUCCITJIZTJ-MRVPVSSYSA-N 1 2 248.704 3.431 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000858509753 588961412 /nfs/dbraw/zinc/96/14/12/588961412.db2.gz YVYXUCCITJIZTJ-QMMMGPOBSA-N 1 2 248.704 3.431 20 0 BGADLO CCCOc1ccc([NH2+]C2CCOCC2)cc1C ZINC000858567414 588967435 /nfs/dbraw/zinc/96/74/35/588967435.db2.gz CMLLRZQGOCFPMR-UHFFFAOYSA-N 1 2 249.354 3.375 20 0 BGADLO CCC(F)(F)CNc1cc[nH+]c(C(C)C)n1 ZINC000858744823 588975599 /nfs/dbraw/zinc/97/55/99/588975599.db2.gz PBJAXFOBNNGGMN-UHFFFAOYSA-N 1 2 229.274 3.057 20 0 BGADLO CC(C)c1nc(N[C@H](C)c2ccns2)cc[nH+]1 ZINC000858830123 588977520 /nfs/dbraw/zinc/97/75/20/588977520.db2.gz QAJDNTXWZMZQDL-SECBINFHSA-N 1 2 248.355 3.230 20 0 BGADLO CC(C)c1nc(N[C@@H](C)c2ccns2)cc[nH+]1 ZINC000858830124 588977740 /nfs/dbraw/zinc/97/77/40/588977740.db2.gz QAJDNTXWZMZQDL-VIFPVBQESA-N 1 2 248.355 3.230 20 0 BGADLO CC(C)c1nc(N2CCCC3(CC3)CC2)cc[nH+]1 ZINC000858835497 588978050 /nfs/dbraw/zinc/97/80/50/588978050.db2.gz LAECEJFVGVAYMT-UHFFFAOYSA-N 1 2 245.370 3.371 20 0 BGADLO C(c1noc(C2CCC2)n1)[NH+]1CCCCCCC1 ZINC000859053326 588994453 /nfs/dbraw/zinc/99/44/53/588994453.db2.gz BWAALNXAILJSKQ-UHFFFAOYSA-N 1 2 249.358 3.103 20 0 BGADLO COC(=O)CCCC[N@@H+](C)c1ccc(C)c(C)c1 ZINC000859081992 588998890 /nfs/dbraw/zinc/99/88/90/588998890.db2.gz NLMYBYXLMNLDND-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO COC(=O)CCCC[N@H+](C)c1ccc(C)c(C)c1 ZINC000859081992 588998889 /nfs/dbraw/zinc/99/88/89/588998889.db2.gz NLMYBYXLMNLDND-UHFFFAOYSA-N 1 2 249.354 3.083 20 0 BGADLO COC1CC(C[N@H+]2C[C@H](C)Cc3ccccc32)C1 ZINC000859120571 589005118 /nfs/dbraw/zinc/00/51/18/589005118.db2.gz ZPLAMTOWGAHMJY-DNOWBOINSA-N 1 2 245.366 3.110 20 0 BGADLO COC1CC(C[N@@H+]2C[C@H](C)Cc3ccccc32)C1 ZINC000859120571 589005117 /nfs/dbraw/zinc/00/51/17/589005117.db2.gz ZPLAMTOWGAHMJY-DNOWBOINSA-N 1 2 245.366 3.110 20 0 BGADLO COC1CC(C[N@H+]2C[C@@H](C)Cc3ccccc32)C1 ZINC000859120572 589004574 /nfs/dbraw/zinc/00/45/74/589004574.db2.gz ZPLAMTOWGAHMJY-OPFPJEHXSA-N 1 2 245.366 3.110 20 0 BGADLO COC1CC(C[N@@H+]2C[C@@H](C)Cc3ccccc32)C1 ZINC000859120572 589004571 /nfs/dbraw/zinc/00/45/71/589004571.db2.gz ZPLAMTOWGAHMJY-OPFPJEHXSA-N 1 2 245.366 3.110 20 0 BGADLO COC1CC(C[N@H+]2CCCc3c(C)cccc32)C1 ZINC000859142459 589008541 /nfs/dbraw/zinc/00/85/41/589008541.db2.gz SPFANHLBEHQFLG-UHFFFAOYSA-N 1 2 245.366 3.173 20 0 BGADLO COC1CC(C[N@@H+]2CCCc3c(C)cccc32)C1 ZINC000859142459 589008540 /nfs/dbraw/zinc/00/85/40/589008540.db2.gz SPFANHLBEHQFLG-UHFFFAOYSA-N 1 2 245.366 3.173 20 0 BGADLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccnc(F)c1 ZINC000859151353 589010367 /nfs/dbraw/zinc/01/03/67/589010367.db2.gz BIKQDYGHXWUHGF-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H]1c2ccccc2C[N@H+]1Cc1ccnc(F)c1 ZINC000859151353 589010365 /nfs/dbraw/zinc/01/03/65/589010365.db2.gz BIKQDYGHXWUHGF-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H]1c2ccccc2C[N@@H+]1Cc1ccnc(F)c1 ZINC000859151354 589010469 /nfs/dbraw/zinc/01/04/69/589010469.db2.gz BIKQDYGHXWUHGF-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO C[C@H]1c2ccccc2C[N@H+]1Cc1ccnc(F)c1 ZINC000859151354 589010467 /nfs/dbraw/zinc/01/04/67/589010467.db2.gz BIKQDYGHXWUHGF-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO Cc1ccc(C[NH+]2CC(C(F)(F)F)C2)cc1F ZINC000859201192 589018242 /nfs/dbraw/zinc/01/82/42/589018242.db2.gz ZMTGZZYZOJJNMO-UHFFFAOYSA-N 1 2 247.235 3.128 20 0 BGADLO C[C@@]1(F)CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000859318264 589031031 /nfs/dbraw/zinc/03/10/31/589031031.db2.gz DWKMAOLQEJASNG-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@@]1(F)CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000859318264 589031029 /nfs/dbraw/zinc/03/10/29/589031029.db2.gz DWKMAOLQEJASNG-GFCCVEGCSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@@H+](Cc2ncccc2Cl)C1 ZINC000859318265 589031238 /nfs/dbraw/zinc/03/12/38/589031238.db2.gz DWKMAOLQEJASNG-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO C[C@]1(F)CCC[N@H+](Cc2ncccc2Cl)C1 ZINC000859318265 589031236 /nfs/dbraw/zinc/03/12/36/589031236.db2.gz DWKMAOLQEJASNG-LBPRGKRZSA-N 1 2 242.725 3.059 20 0 BGADLO FC1(F)CCC[N@@H+](C/C(Cl)=C\Cl)CC1 ZINC000859537334 589043570 /nfs/dbraw/zinc/04/35/70/589043570.db2.gz YVEPXHFHFORFDZ-SOFGYWHQSA-N 1 2 244.112 3.427 20 0 BGADLO FC1(F)CCC[N@H+](C/C(Cl)=C\Cl)CC1 ZINC000859537334 589043569 /nfs/dbraw/zinc/04/35/69/589043569.db2.gz YVEPXHFHFORFDZ-SOFGYWHQSA-N 1 2 244.112 3.427 20 0 BGADLO FC1(F)CCC[N@@H+](C/C(Cl)=C/Cl)CC1 ZINC000859537335 589043573 /nfs/dbraw/zinc/04/35/73/589043573.db2.gz YVEPXHFHFORFDZ-VURMDHGXSA-N 1 2 244.112 3.427 20 0 BGADLO FC1(F)CCC[N@H+](C/C(Cl)=C/Cl)CC1 ZINC000859537335 589043572 /nfs/dbraw/zinc/04/35/72/589043572.db2.gz YVEPXHFHFORFDZ-VURMDHGXSA-N 1 2 244.112 3.427 20 0 BGADLO FCC[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000859765986 589059530 /nfs/dbraw/zinc/05/95/30/589059530.db2.gz FESYQLWOQBCTQG-UHFFFAOYSA-N 1 2 247.235 3.033 20 0 BGADLO FCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000859765986 589059528 /nfs/dbraw/zinc/05/95/28/589059528.db2.gz FESYQLWOQBCTQG-UHFFFAOYSA-N 1 2 247.235 3.033 20 0 BGADLO Cc1cnc(C[N@@H+]2CCC(F)(F)C[C@H]2C)s1 ZINC000859837681 712617991 /nfs/dbraw/zinc/61/79/91/712617991.db2.gz DTNNWAMIOXOFFE-MRVPVSSYSA-N 1 2 246.326 3.071 20 0 BGADLO Cc1cnc(C[N@H+]2CCC(F)(F)C[C@H]2C)s1 ZINC000859837681 712617988 /nfs/dbraw/zinc/61/79/88/712617988.db2.gz DTNNWAMIOXOFFE-MRVPVSSYSA-N 1 2 246.326 3.071 20 0 BGADLO Cc1cnc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)s1 ZINC000859837683 712617999 /nfs/dbraw/zinc/61/79/99/712617999.db2.gz DTNNWAMIOXOFFE-QMMMGPOBSA-N 1 2 246.326 3.071 20 0 BGADLO Cc1cnc(C[N@H+]2CCC(F)(F)C[C@@H]2C)s1 ZINC000859837683 712617997 /nfs/dbraw/zinc/61/79/97/712617997.db2.gz DTNNWAMIOXOFFE-QMMMGPOBSA-N 1 2 246.326 3.071 20 0 BGADLO C[C@@H]1CC(F)(F)CC[N@H+]1C/C(Cl)=C/Cl ZINC000859840056 589065578 /nfs/dbraw/zinc/06/55/78/589065578.db2.gz WJACSRLUIULYBI-BESBCXERSA-N 1 2 244.112 3.425 20 0 BGADLO C[C@@H]1CC(F)(F)CC[N@@H+]1C/C(Cl)=C/Cl ZINC000859840056 589065576 /nfs/dbraw/zinc/06/55/76/589065576.db2.gz WJACSRLUIULYBI-BESBCXERSA-N 1 2 244.112 3.425 20 0 BGADLO C[C@H]1CC(F)(F)CC[N@H+]1C/C(Cl)=C/Cl ZINC000859840057 589065449 /nfs/dbraw/zinc/06/54/49/589065449.db2.gz WJACSRLUIULYBI-BJMRUTCWSA-N 1 2 244.112 3.425 20 0 BGADLO C[C@H]1CC(F)(F)CC[N@@H+]1C/C(Cl)=C/Cl ZINC000859840057 589065448 /nfs/dbraw/zinc/06/54/48/589065448.db2.gz WJACSRLUIULYBI-BJMRUTCWSA-N 1 2 244.112 3.425 20 0 BGADLO C[C@@H]1CC(F)(F)CC[N@H+]1C/C(Cl)=C\Cl ZINC000859840058 589065830 /nfs/dbraw/zinc/06/58/30/589065830.db2.gz WJACSRLUIULYBI-KBUNYLKBSA-N 1 2 244.112 3.425 20 0 BGADLO C[C@@H]1CC(F)(F)CC[N@@H+]1C/C(Cl)=C\Cl ZINC000859840058 589065828 /nfs/dbraw/zinc/06/58/28/589065828.db2.gz WJACSRLUIULYBI-KBUNYLKBSA-N 1 2 244.112 3.425 20 0 BGADLO C[C@H]1CC(F)(F)CC[N@H+]1C/C(Cl)=C\Cl ZINC000859840059 589065703 /nfs/dbraw/zinc/06/57/03/589065703.db2.gz WJACSRLUIULYBI-QAZRXNLGSA-N 1 2 244.112 3.425 20 0 BGADLO C[C@H]1CC(F)(F)CC[N@@H+]1C/C(Cl)=C\Cl ZINC000859840059 589065701 /nfs/dbraw/zinc/06/57/01/589065701.db2.gz WJACSRLUIULYBI-QAZRXNLGSA-N 1 2 244.112 3.425 20 0 BGADLO C[C@@H]1CC(F)(F)CC[N@H+]1CC=C(Cl)Cl ZINC000859842536 589065646 /nfs/dbraw/zinc/06/56/46/589065646.db2.gz OVUCRWFVTAKMBE-SSDOTTSWSA-N 1 2 244.112 3.425 20 0 BGADLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC=C(Cl)Cl ZINC000859842536 589065644 /nfs/dbraw/zinc/06/56/44/589065644.db2.gz OVUCRWFVTAKMBE-SSDOTTSWSA-N 1 2 244.112 3.425 20 0 BGADLO C[C@H]1CC(F)(F)CC[N@H+]1CC=C(Cl)Cl ZINC000859842537 589065675 /nfs/dbraw/zinc/06/56/75/589065675.db2.gz OVUCRWFVTAKMBE-ZETCQYMHSA-N 1 2 244.112 3.425 20 0 BGADLO C[C@H]1CC(F)(F)CC[N@@H+]1CC=C(Cl)Cl ZINC000859842537 589065673 /nfs/dbraw/zinc/06/56/73/589065673.db2.gz OVUCRWFVTAKMBE-ZETCQYMHSA-N 1 2 244.112 3.425 20 0 BGADLO FCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000859910011 589070225 /nfs/dbraw/zinc/07/02/25/589070225.db2.gz HSUDYICASAJBPQ-UHFFFAOYSA-N 1 2 247.235 3.033 20 0 BGADLO FCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000859910011 589070224 /nfs/dbraw/zinc/07/02/24/589070224.db2.gz HSUDYICASAJBPQ-UHFFFAOYSA-N 1 2 247.235 3.033 20 0 BGADLO Cc1c(C[NH+]2Cc3ccccc3C2)ccnc1F ZINC000862240820 589196156 /nfs/dbraw/zinc/19/61/56/589196156.db2.gz PHUNNWJWIJRLAE-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1ccc(NCc2ccnc(F)c2C)c(C)[nH+]1 ZINC000862291125 589200106 /nfs/dbraw/zinc/20/01/06/589200106.db2.gz KXTDRRPMXVYTIO-UHFFFAOYSA-N 1 2 245.301 3.153 20 0 BGADLO Cc1c[nH]c(CN(C)c2ccc(C(C)C)cc2)[nH+]1 ZINC000862306007 583960095 /nfs/dbraw/zinc/96/00/95/583960095.db2.gz AOSZDCAKWJDFDF-UHFFFAOYSA-N 1 2 243.354 3.478 20 0 BGADLO C[N@@H+](CCF)Cc1csc(C(F)(F)F)c1 ZINC000862377226 589206089 /nfs/dbraw/zinc/20/60/89/589206089.db2.gz DWVPKXZJBHUUQN-UHFFFAOYSA-N 1 2 241.253 3.168 20 0 BGADLO C[N@H+](CCF)Cc1csc(C(F)(F)F)c1 ZINC000862377226 589206087 /nfs/dbraw/zinc/20/60/87/589206087.db2.gz DWVPKXZJBHUUQN-UHFFFAOYSA-N 1 2 241.253 3.168 20 0 BGADLO FC(F)(F)c1cc(C[NH+]2CC3(CC3)C2)cs1 ZINC000862381900 589206383 /nfs/dbraw/zinc/20/63/83/589206383.db2.gz MGIWFFYMIYSWCD-UHFFFAOYSA-N 1 2 247.285 3.363 20 0 BGADLO FC(F)(F)c1sccc1C[NH+]1CC2(CC2)C1 ZINC000862382560 589206797 /nfs/dbraw/zinc/20/67/97/589206797.db2.gz VDPDGCBAVGWKMB-UHFFFAOYSA-N 1 2 247.285 3.363 20 0 BGADLO CCc1cc[nH+]cc1NCc1ccnc(F)c1C ZINC000862403236 589209397 /nfs/dbraw/zinc/20/93/97/589209397.db2.gz NOEJQWHOCPTVBM-UHFFFAOYSA-N 1 2 245.301 3.099 20 0 BGADLO Cc1cc(C[N@H+]2Cc3ccc(O)cc3C2)c(C)o1 ZINC000862450465 589215538 /nfs/dbraw/zinc/21/55/38/589215538.db2.gz UMMWLRMPYZYGDJ-UHFFFAOYSA-N 1 2 243.306 3.118 20 0 BGADLO Cc1cc(C[N@@H+]2Cc3ccc(O)cc3C2)c(C)o1 ZINC000862450465 589215536 /nfs/dbraw/zinc/21/55/36/589215536.db2.gz UMMWLRMPYZYGDJ-UHFFFAOYSA-N 1 2 243.306 3.118 20 0 BGADLO CCCOc1ccc([NH2+]C2CC(OC)C2)cc1C ZINC000862536860 589218332 /nfs/dbraw/zinc/21/83/32/589218332.db2.gz NFNDRLSSNYJDEO-UHFFFAOYSA-N 1 2 249.354 3.373 20 0 BGADLO C=COc1ccc([NH2+]CC2CC(OC)C2)cc1 ZINC000863353090 589282333 /nfs/dbraw/zinc/28/23/33/589282333.db2.gz XKHNRYYGPMWPAN-UHFFFAOYSA-N 1 2 233.311 3.046 20 0 BGADLO Cc1cnc(CSCc2ccc(C)[nH+]c2C)o1 ZINC000863395464 589286311 /nfs/dbraw/zinc/28/63/11/589286311.db2.gz FVNCJRMDVLRECA-UHFFFAOYSA-N 1 2 248.351 3.428 20 0 BGADLO Cc1cnc(CSCCc2cccc(C)[nH+]2)o1 ZINC000863401164 589287406 /nfs/dbraw/zinc/28/74/06/589287406.db2.gz RGMZCKCGPCGGBA-UHFFFAOYSA-N 1 2 248.351 3.162 20 0 BGADLO C[C@H]1C[C@@H]1Cn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000863456154 589289567 /nfs/dbraw/zinc/28/95/67/589289567.db2.gz IPFXJVLSBKNOHS-GXSJLCMTSA-N 1 2 247.729 3.255 20 0 BGADLO C[C@@H]1C[C@H]1Cn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000863456155 589289662 /nfs/dbraw/zinc/28/96/62/589289662.db2.gz IPFXJVLSBKNOHS-KOLCDFICSA-N 1 2 247.729 3.255 20 0 BGADLO C[C@@H]1C[C@@H]1Cn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000863456156 589289366 /nfs/dbraw/zinc/28/93/66/589289366.db2.gz IPFXJVLSBKNOHS-MWLCHTKSSA-N 1 2 247.729 3.255 20 0 BGADLO C[C@H]1C[C@H]1Cn1cc[nH+]c1-c1ccnc(Cl)c1 ZINC000863456157 589289448 /nfs/dbraw/zinc/28/94/48/589289448.db2.gz IPFXJVLSBKNOHS-ONGXEEELSA-N 1 2 247.729 3.255 20 0 BGADLO CCc1[nH+]c(C)ccc1OCc1ccnc(F)c1 ZINC000863469678 589290759 /nfs/dbraw/zinc/29/07/59/589290759.db2.gz HVGBHIFUYPNLCQ-UHFFFAOYSA-N 1 2 246.285 3.066 20 0 BGADLO C[NH2+]c1ccc(NCc2cnc(C)s2)cc1 ZINC000863481242 589292715 /nfs/dbraw/zinc/29/27/15/589292715.db2.gz DDSWTJXIEHSUIC-UHFFFAOYSA-N 1 2 233.340 3.105 20 0 BGADLO C[NH2+]c1ccc(NCc2nc(C)cs2)cc1 ZINC000863481588 589292823 /nfs/dbraw/zinc/29/28/23/589292823.db2.gz JOAVJHAPIKHOMK-UHFFFAOYSA-N 1 2 233.340 3.105 20 0 BGADLO CC[C@H]1C[C@H](CNc2ccc([NH2+]C)cc2)CCO1 ZINC000863481894 589292415 /nfs/dbraw/zinc/29/24/15/589292415.db2.gz NXRUIDKQMKUPNG-DOMZBBRYSA-N 1 2 248.370 3.345 20 0 BGADLO CC[C@@H]1C[C@H](CNc2ccc([NH2+]C)cc2)CCO1 ZINC000863481895 589292493 /nfs/dbraw/zinc/29/24/93/589292493.db2.gz NXRUIDKQMKUPNG-IUODEOHRSA-N 1 2 248.370 3.345 20 0 BGADLO CC[C@@H]1C[C@@H](CNc2ccc([NH2+]C)cc2)CCO1 ZINC000863481896 589292463 /nfs/dbraw/zinc/29/24/63/589292463.db2.gz NXRUIDKQMKUPNG-SWLSCSKDSA-N 1 2 248.370 3.345 20 0 BGADLO CC[C@H]1C[C@@H](CNc2ccc([NH2+]C)cc2)CCO1 ZINC000863481897 589292603 /nfs/dbraw/zinc/29/26/03/589292603.db2.gz NXRUIDKQMKUPNG-WFASDCNBSA-N 1 2 248.370 3.345 20 0 BGADLO C[NH2+]c1ccc(NCc2sc(C)nc2C)cc1 ZINC000863482271 589292644 /nfs/dbraw/zinc/29/26/44/589292644.db2.gz XJHCOJXDXCSJSD-UHFFFAOYSA-N 1 2 247.367 3.414 20 0 BGADLO CNc1ccc(-c2ccc3c(c2)C[C@H](C)O3)c[nH+]1 ZINC000863679660 589310404 /nfs/dbraw/zinc/31/04/04/589310404.db2.gz GHTSGXJZIXFYAS-JTQLQIEISA-N 1 2 240.306 3.114 20 0 BGADLO CNc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)c[nH+]1 ZINC000863679661 589310308 /nfs/dbraw/zinc/31/03/08/589310308.db2.gz GHTSGXJZIXFYAS-SNVBAGLBSA-N 1 2 240.306 3.114 20 0 BGADLO CC(C)N(C)c1ccc(-c2cncc(F)c2)c[nH+]1 ZINC000863680912 589310294 /nfs/dbraw/zinc/31/02/94/589310294.db2.gz LJYNCRSXYCNSPZ-UHFFFAOYSA-N 1 2 245.301 3.127 20 0 BGADLO CCNc1ccc(-c2cn(C)nc2C(C)C)c[nH+]1 ZINC000863692795 589310808 /nfs/dbraw/zinc/31/08/08/589310808.db2.gz MYNWANWJWBNNCP-UHFFFAOYSA-N 1 2 244.342 3.037 20 0 BGADLO Cc1cc(-c2ccc(NC(C)C)[nH+]c2)ccn1 ZINC000863693926 589311364 /nfs/dbraw/zinc/31/13/64/589311364.db2.gz RQWRRJNGXPHRSJ-UHFFFAOYSA-N 1 2 227.311 3.272 20 0 BGADLO Cc1cc(-c2ccc(N(C)C(C)C)[nH+]c2)ccn1 ZINC000863694826 589311497 /nfs/dbraw/zinc/31/14/97/589311497.db2.gz UQMJNVWOJMXTJD-UHFFFAOYSA-N 1 2 241.338 3.297 20 0 BGADLO CCNc1ccc(-c2cccc3c2OCC3)c[nH+]1 ZINC000863699280 589311641 /nfs/dbraw/zinc/31/16/41/589311641.db2.gz AGFBNORFWVWXAP-UHFFFAOYSA-N 1 2 240.306 3.115 20 0 BGADLO Cc1ccc(-c2ccc(NC(C)C)[nH+]c2)cn1 ZINC000863699441 589311776 /nfs/dbraw/zinc/31/17/76/589311776.db2.gz CDBQMZXIRWOHFT-UHFFFAOYSA-N 1 2 227.311 3.272 20 0 BGADLO Cc1ccc(-c2ccc(N(C)C(C)C)[nH+]c2)cn1 ZINC000863700172 589311741 /nfs/dbraw/zinc/31/17/41/589311741.db2.gz LOJXGYCVEWPTIS-UHFFFAOYSA-N 1 2 241.338 3.297 20 0 BGADLO Cc1cnc(F)cc1-c1ccc(NC(C)C)[nH+]c1 ZINC000863715719 589312778 /nfs/dbraw/zinc/31/27/78/589312778.db2.gz CLTANLCSBQBOON-UHFFFAOYSA-N 1 2 245.301 3.411 20 0 BGADLO Cc1cc(-c2ccc(N(C)C(C)C)[nH+]c2)co1 ZINC000863723247 589312946 /nfs/dbraw/zinc/31/29/46/589312946.db2.gz UTBQDSUZDYPAMD-UHFFFAOYSA-N 1 2 230.311 3.495 20 0 BGADLO Cc1cc(-c2ccc(NC(C)C)[nH+]c2)co1 ZINC000863723263 589313228 /nfs/dbraw/zinc/31/32/28/589313228.db2.gz VIVUSXQETBBIEO-UHFFFAOYSA-N 1 2 216.284 3.470 20 0 BGADLO CCNc1ccc(-c2coc(C)c2)c[nH+]1 ZINC000863723493 589313139 /nfs/dbraw/zinc/31/31/39/589313139.db2.gz ZJRXQYGIFSEFOD-UHFFFAOYSA-N 1 2 202.257 3.082 20 0 BGADLO Cc1cc(-c2cnc(C3CC3)o2)c2[nH+]ccn2c1 ZINC000863729439 589313446 /nfs/dbraw/zinc/31/34/46/589313446.db2.gz DHKMRIJSWRREMT-UHFFFAOYSA-N 1 2 239.278 3.175 20 0 BGADLO Cc1c(F)nccc1-c1ccc(NC(C)C)[nH+]c1 ZINC000863731560 589313730 /nfs/dbraw/zinc/31/37/30/589313730.db2.gz ZMVAANUFDHHGLV-UHFFFAOYSA-N 1 2 245.301 3.411 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccnc(Cl)c2)n1C ZINC000863973115 589331042 /nfs/dbraw/zinc/33/10/42/589331042.db2.gz CVNCRXVIJOWCFO-UHFFFAOYSA-N 1 2 235.718 3.259 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccc(Cl)nc2)n1C ZINC000863974135 589331139 /nfs/dbraw/zinc/33/11/39/589331139.db2.gz WUPVFPQPOWGIBV-UHFFFAOYSA-N 1 2 235.718 3.259 20 0 BGADLO CC(C)c1nn(C)cc1-c1c[nH+]c(C(C)C)n1C ZINC000863974513 589331095 /nfs/dbraw/zinc/33/10/95/589331095.db2.gz WMAMGMGCNHNERR-UHFFFAOYSA-N 1 2 246.358 3.067 20 0 BGADLO c1cc2cccc(-c3c[nH+]c4n3CCCC4)c2[nH]1 ZINC000863974703 589330944 /nfs/dbraw/zinc/33/09/44/589330944.db2.gz NIVYOWQXCYSMEF-UHFFFAOYSA-N 1 2 237.306 3.368 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccncc2Cl)n1C ZINC000863974796 589331082 /nfs/dbraw/zinc/33/10/82/589331082.db2.gz RCKIFTALKUSYRC-UHFFFAOYSA-N 1 2 235.718 3.259 20 0 BGADLO CC(C)c1[nH+]cc(-c2cccc3c2OCC3)n1C ZINC000863974944 589331235 /nfs/dbraw/zinc/33/12/35/589331235.db2.gz XZZKVBPWKLKSSI-UHFFFAOYSA-N 1 2 242.322 3.145 20 0 BGADLO Cc1ccc(F)cc1-c1c[nH+]c2n1CCCC2 ZINC000863975200 589331051 /nfs/dbraw/zinc/33/10/51/589331051.db2.gz KAQVGAPZIJTQQI-UHFFFAOYSA-N 1 2 230.286 3.334 20 0 BGADLO Fc1ccc(-c2c[nH+]c3n2CCCC3)s1 ZINC000863975244 589330853 /nfs/dbraw/zinc/33/08/53/589330853.db2.gz LUCNDAXGXYDINJ-UHFFFAOYSA-N 1 2 222.288 3.087 20 0 BGADLO Cc1cc(-c2c[nH+]c(C(C)C)n2C)co1 ZINC000863975554 589331727 /nfs/dbraw/zinc/33/17/27/589331727.db2.gz UGHAXJDIRPMWLW-UHFFFAOYSA-N 1 2 204.273 3.112 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccc(F)s2)n1C ZINC000863975589 589331331 /nfs/dbraw/zinc/33/13/31/589331331.db2.gz UZUPMANYDMLFQG-UHFFFAOYSA-N 1 2 224.304 3.411 20 0 BGADLO c1nc2cccc(-c3c[nH+]c4n3CCCC4)c2o1 ZINC000863975627 589331445 /nfs/dbraw/zinc/33/14/45/589331445.db2.gz VTJWBPUDWWKIFR-UHFFFAOYSA-N 1 2 239.278 3.028 20 0 BGADLO CC(C)c1[nH+]cc(-c2cccc3ncoc32)n1C ZINC000863975628 589331531 /nfs/dbraw/zinc/33/15/31/589331531.db2.gz VUPQPBGCQMNAKE-UHFFFAOYSA-N 1 2 241.294 3.352 20 0 BGADLO CCCCNc1cccc(-c2[nH+]ccn2C)c1 ZINC000863975786 589331662 /nfs/dbraw/zinc/33/16/62/589331662.db2.gz JCZPPWUZSGUGKK-UHFFFAOYSA-N 1 2 229.327 3.299 20 0 BGADLO CCOc1cccc(-c2c[nH+]c3n2CCCC3)c1 ZINC000863975937 589331318 /nfs/dbraw/zinc/33/13/18/589331318.db2.gz PCVVFRHDRBWZAH-UHFFFAOYSA-N 1 2 242.322 3.285 20 0 BGADLO Cc1cnc(F)cc1-c1c[nH+]c(C(C)C)n1C ZINC000863976152 589331511 /nfs/dbraw/zinc/33/15/11/589331511.db2.gz YAQVLCYTVFNYEU-UHFFFAOYSA-N 1 2 233.290 3.053 20 0 BGADLO Cc1c(F)nccc1-c1c[nH+]c(C(C)C)n1C ZINC000863976882 589331722 /nfs/dbraw/zinc/33/17/22/589331722.db2.gz OXRGYQJSZBMJHJ-UHFFFAOYSA-N 1 2 233.290 3.053 20 0 BGADLO CCc1ccc(C[NH+]2CC(C(F)(F)F)C2)s1 ZINC000864049255 589334628 /nfs/dbraw/zinc/33/46/28/589334628.db2.gz MPWZBOJSXWZRDY-UHFFFAOYSA-N 1 2 249.301 3.305 20 0 BGADLO CC1(F)CC[NH+](Cc2scnc2Cl)CC1 ZINC000864050771 589335036 /nfs/dbraw/zinc/33/50/36/589335036.db2.gz QKEMLNKXVJZNHD-UHFFFAOYSA-N 1 2 248.754 3.121 20 0 BGADLO C[C@@H](O)c1cccc(NC[C@@H]2CCCC23CC3)[nH+]1 ZINC000864092305 589343924 /nfs/dbraw/zinc/34/39/24/589343924.db2.gz YZWDHGCTDYHQNJ-NEPJUHHUSA-N 1 2 246.354 3.127 20 0 BGADLO C[C@H](O)c1cccc(NC[C@H]2CCCC23CC3)[nH+]1 ZINC000864092307 589344013 /nfs/dbraw/zinc/34/40/13/589344013.db2.gz YZWDHGCTDYHQNJ-NWDGAFQWSA-N 1 2 246.354 3.127 20 0 BGADLO C[C@H](O)c1cccc(NC[C@@H]2CCCC23CC3)[nH+]1 ZINC000864092308 589344122 /nfs/dbraw/zinc/34/41/22/589344122.db2.gz YZWDHGCTDYHQNJ-RYUDHWBXSA-N 1 2 246.354 3.127 20 0 BGADLO C[C@@H](O)c1cccc(NC[C@H]2CCCC23CC3)[nH+]1 ZINC000864092309 589344066 /nfs/dbraw/zinc/34/40/66/589344066.db2.gz YZWDHGCTDYHQNJ-VXGBXAGGSA-N 1 2 246.354 3.127 20 0 BGADLO CC(C)Cc1cc(NCC2CC(C)C2)nc[nH+]1 ZINC000864093652 589344449 /nfs/dbraw/zinc/34/44/49/589344449.db2.gz STQMWAHGPQHXRA-UHFFFAOYSA-N 1 2 233.359 3.133 20 0 BGADLO c1cc(-c2cc[nH+]c3c2CCCC3)ccn1 ZINC000864532628 589375778 /nfs/dbraw/zinc/37/57/78/589375778.db2.gz HTNIWIIQAAFKAN-UHFFFAOYSA-N 1 2 210.280 3.022 20 0 BGADLO Cc1cnccc1-c1cc[nH+]c2c1CCCC2 ZINC000864535468 589376248 /nfs/dbraw/zinc/37/62/48/589376248.db2.gz UXFNUFKOLNTTAC-UHFFFAOYSA-N 1 2 224.307 3.331 20 0 BGADLO c1cc2cc(-c3cc[nH+]c4c3CCCC4)cnc2[nH]1 ZINC000864538243 589376494 /nfs/dbraw/zinc/37/64/94/589376494.db2.gz URVCOWRBVNUEJH-UHFFFAOYSA-N 1 2 249.317 3.455 20 0 BGADLO COc1cc(-c2c[nH+]c(C(C)C)n2C)ccc1F ZINC000864545991 589377511 /nfs/dbraw/zinc/37/75/11/589377511.db2.gz BMXWNKPLJYERPP-UHFFFAOYSA-N 1 2 248.301 3.358 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccc([C@@H](C)O)cc2)n1C ZINC000864550123 589378032 /nfs/dbraw/zinc/37/80/32/589378032.db2.gz OKLQHFFMKGDZJG-LLVKDONJSA-N 1 2 244.338 3.264 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccc([C@H](C)O)cc2)n1C ZINC000864550124 589378028 /nfs/dbraw/zinc/37/80/28/589378028.db2.gz OKLQHFFMKGDZJG-NSHDSACASA-N 1 2 244.338 3.264 20 0 BGADLO COc1cc(-c2c[nH+]c3n2CCCC3)ccc1F ZINC000864550603 589378004 /nfs/dbraw/zinc/37/80/04/589378004.db2.gz SRLAWAQKDUVMPO-UHFFFAOYSA-N 1 2 246.285 3.034 20 0 BGADLO CCNc1ccc(-c2ccc([C@@H](C)O)cc2)c[nH+]1 ZINC000864551287 589378498 /nfs/dbraw/zinc/37/84/98/589378498.db2.gz YEYYEIUFMHWTMT-LLVKDONJSA-N 1 2 242.322 3.234 20 0 BGADLO CCNc1ccc(-c2ccc([C@H](C)O)cc2)c[nH+]1 ZINC000864551288 589378482 /nfs/dbraw/zinc/37/84/82/589378482.db2.gz YEYYEIUFMHWTMT-NSHDSACASA-N 1 2 242.322 3.234 20 0 BGADLO C[C@H](CSCCn1cc[nH+]c1)C(C)(C)C ZINC000865287065 589419075 /nfs/dbraw/zinc/41/90/75/589419075.db2.gz JSONUZXSFGLCAY-LLVKDONJSA-N 1 2 226.389 3.299 20 0 BGADLO C[C@@H](CSCCn1cc[nH+]c1)C(C)(C)C ZINC000865287066 589419345 /nfs/dbraw/zinc/41/93/45/589419345.db2.gz JSONUZXSFGLCAY-NSHDSACASA-N 1 2 226.389 3.299 20 0 BGADLO CC(C)(C)c1csc(CNc2cccc[nH+]2)n1 ZINC000865289861 589419855 /nfs/dbraw/zinc/41/98/55/589419855.db2.gz HMKSIOVJLHVACL-UHFFFAOYSA-N 1 2 247.367 3.448 20 0 BGADLO CC(C)COCSc1[nH+]cc2ccccn21 ZINC000865346367 589423331 /nfs/dbraw/zinc/42/33/31/589423331.db2.gz LHOCGQKIPVKEMS-UHFFFAOYSA-N 1 2 236.340 3.057 20 0 BGADLO CC(C)(C)c1cn(Cc2ccccc2F)c[nH+]1 ZINC000865374303 589427985 /nfs/dbraw/zinc/42/79/85/589427985.db2.gz BDWNODSUSLTYFD-UHFFFAOYSA-N 1 2 232.302 3.368 20 0 BGADLO CC(C)(C)c1cn(CCOc2ccccc2)c[nH+]1 ZINC000865374597 589427953 /nfs/dbraw/zinc/42/79/53/589427953.db2.gz IGDDGBNURQJZJA-UHFFFAOYSA-N 1 2 244.338 3.260 20 0 BGADLO COc1cccc(Cn2c[nH+]c(C(C)(C)C)c2)c1 ZINC000865374612 589427796 /nfs/dbraw/zinc/42/77/96/589427796.db2.gz JAVQSNNIIFWPFK-UHFFFAOYSA-N 1 2 244.338 3.238 20 0 BGADLO CC(C)(C)c1cn(CC(F)(F)C(F)F)c[nH+]1 ZINC000865374991 589428520 /nfs/dbraw/zinc/42/85/20/589428520.db2.gz DGRTXPHZMLZLMC-UHFFFAOYSA-N 1 2 238.228 3.081 20 0 BGADLO CC(C)(C)c1cn(C/C(Cl)=C\Cl)c[nH+]1 ZINC000865375026 589428511 /nfs/dbraw/zinc/42/85/11/589428511.db2.gz FFKNAKAUZFJBTR-XBXARRHUSA-N 1 2 233.142 3.500 20 0 BGADLO CC(C)(C)c1cn(C/C(Cl)=C/Cl)c[nH+]1 ZINC000865375028 589428268 /nfs/dbraw/zinc/42/82/68/589428268.db2.gz FFKNAKAUZFJBTR-YWEYNIOJSA-N 1 2 233.142 3.500 20 0 BGADLO COc1ccccc1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865375180 589428426 /nfs/dbraw/zinc/42/84/26/589428426.db2.gz RQEFIVWOOFFGNY-UHFFFAOYSA-N 1 2 244.338 3.238 20 0 BGADLO Cc1nc(Cn2c[nH+]c(C(C)(C)C)c2)sc1C ZINC000865375209 589428085 /nfs/dbraw/zinc/42/80/85/589428085.db2.gz GJDSHEHZAIVIJF-UHFFFAOYSA-N 1 2 249.383 3.302 20 0 BGADLO CC(C)(C)c1cn([C@@H]2C=CCCC2)c[nH+]1 ZINC000865375216 589428470 /nfs/dbraw/zinc/42/84/70/589428470.db2.gz GQRLZPIVHXXRTN-LLVKDONJSA-N 1 2 204.317 3.462 20 0 BGADLO CC(C)(C)c1cn([C@H]2C=CCCC2)c[nH+]1 ZINC000865375217 589428260 /nfs/dbraw/zinc/42/82/60/589428260.db2.gz GQRLZPIVHXXRTN-NSHDSACASA-N 1 2 204.317 3.462 20 0 BGADLO CC(C)(C)c1cn(C[C@H]2CC2(Cl)Cl)c[nH+]1 ZINC000865375237 589428006 /nfs/dbraw/zinc/42/80/06/589428006.db2.gz GZMUTYLYRUNBLB-MRVPVSSYSA-N 1 2 247.169 3.374 20 0 BGADLO CC(C)(C)c1cn(C[C@@H]2CC2(Cl)Cl)c[nH+]1 ZINC000865375241 589428531 /nfs/dbraw/zinc/42/85/31/589428531.db2.gz GZMUTYLYRUNBLB-QMMMGPOBSA-N 1 2 247.169 3.374 20 0 BGADLO CC(C)(C)c1cn(Cc2ccc(F)cc2)c[nH+]1 ZINC000865375393 589428134 /nfs/dbraw/zinc/42/81/34/589428134.db2.gz UXPRBWHFYNWCOL-UHFFFAOYSA-N 1 2 232.302 3.368 20 0 BGADLO CC(C)(C)c1cn(Cc2cccc(F)c2)c[nH+]1 ZINC000865375415 589428308 /nfs/dbraw/zinc/42/83/08/589428308.db2.gz VFRLELZCOZCBMW-UHFFFAOYSA-N 1 2 232.302 3.368 20 0 BGADLO CC(C)(C)c1cn(Cc2cccnc2Cl)c[nH+]1 ZINC000865375733 589428442 /nfs/dbraw/zinc/42/84/42/589428442.db2.gz MCKCVYIVZGVMIW-UHFFFAOYSA-N 1 2 249.745 3.277 20 0 BGADLO CC(C)(C)c1cn(CCC(F)(F)F)c[nH+]1 ZINC000865375754 589428475 /nfs/dbraw/zinc/42/84/75/589428475.db2.gz NANDUMHRBJRDIJ-UHFFFAOYSA-N 1 2 220.238 3.133 20 0 BGADLO CC(C)(C)c1cn(Cc2ccc(Cl)nc2)c[nH+]1 ZINC000865375764 589428450 /nfs/dbraw/zinc/42/84/50/589428450.db2.gz NKAOFYMLVHOWJA-UHFFFAOYSA-N 1 2 249.745 3.277 20 0 BGADLO CC(C)c1cnc(Cn2c[nH+]c(C(C)(C)C)c2)o1 ZINC000865375898 589428418 /nfs/dbraw/zinc/42/84/18/589428418.db2.gz PVIRHLKWAORELX-UHFFFAOYSA-N 1 2 247.342 3.340 20 0 BGADLO CCc1nc(Cn2c[nH+]c(C(C)(C)C)c2)cs1 ZINC000865375909 589428323 /nfs/dbraw/zinc/42/83/23/589428323.db2.gz QMKKYTKQBNKBGG-UHFFFAOYSA-N 1 2 249.383 3.248 20 0 BGADLO Cc1nc(C)c(Cn2c[nH+]c(C(C)(C)C)c2)s1 ZINC000865375960 589428289 /nfs/dbraw/zinc/42/82/89/589428289.db2.gz SBTKYPDFTCWGKG-UHFFFAOYSA-N 1 2 249.383 3.302 20 0 BGADLO CC(C)(C)c1cn(Cc2ccnc(Cl)c2)c[nH+]1 ZINC000865375998 589428458 /nfs/dbraw/zinc/42/84/58/589428458.db2.gz UVEDIWPCVMEICI-UHFFFAOYSA-N 1 2 249.745 3.277 20 0 BGADLO CC(C)n1ccc(Cn2c[nH+]c(C(C)(C)C)c2)n1 ZINC000865376056 589428412 /nfs/dbraw/zinc/42/84/12/589428412.db2.gz XGSOMGGGWUTXJX-UHFFFAOYSA-N 1 2 246.358 3.006 20 0 BGADLO CC(C)(C)c1cn(CCCCCCCO)c[nH+]1 ZINC000865376068 589428454 /nfs/dbraw/zinc/42/84/54/589428454.db2.gz XUHWFGFNHMXORA-UHFFFAOYSA-N 1 2 238.375 3.123 20 0 BGADLO CC(C)(C)c1cn(Cc2ccc(Cl)cn2)c[nH+]1 ZINC000865376143 589428507 /nfs/dbraw/zinc/42/85/07/589428507.db2.gz AVZQJCIMCSYTBU-UHFFFAOYSA-N 1 2 249.745 3.277 20 0 BGADLO Cc1nc(CCn2c[nH+]c(C(C)(C)C)c2)cs1 ZINC000865376153 589428155 /nfs/dbraw/zinc/42/81/55/589428155.db2.gz BDJDPOPCDOZZDB-UHFFFAOYSA-N 1 2 249.383 3.188 20 0 BGADLO CCC(C)(C)C(=O)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376197 589428098 /nfs/dbraw/zinc/42/80/98/589428098.db2.gz DGEQFZNQIQDZJC-UHFFFAOYSA-N 1 2 236.359 3.186 20 0 BGADLO Cc1nsc(C)c1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376263 589428432 /nfs/dbraw/zinc/42/84/32/589428432.db2.gz GUFRSUNEIVIZAD-UHFFFAOYSA-N 1 2 249.383 3.302 20 0 BGADLO CC(C)(C)OCCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376272 589428130 /nfs/dbraw/zinc/42/81/30/589428130.db2.gz HBRINOHANZGAQE-UHFFFAOYSA-N 1 2 238.375 3.386 20 0 BGADLO CC(C)(C)c1cn(Cc2cc(C3CC3)no2)c[nH+]1 ZINC000865376285 589428319 /nfs/dbraw/zinc/42/83/19/589428319.db2.gz HJBGFJJKYIEMRI-UHFFFAOYSA-N 1 2 245.326 3.094 20 0 BGADLO CC(C)(C)c1cn(Cc2cc(Cl)ccn2)c[nH+]1 ZINC000865376309 589428283 /nfs/dbraw/zinc/42/82/83/589428283.db2.gz IOZGILNGLVPMOG-UHFFFAOYSA-N 1 2 249.745 3.277 20 0 BGADLO Cc1ccc(Cn2cnc(C(C)(C)C)c2)c(C)[nH+]1 ZINC000865376310 589428235 /nfs/dbraw/zinc/42/82/35/589428235.db2.gz IRUJLVYNTUSWIF-UHFFFAOYSA-N 1 2 243.354 3.241 20 0 BGADLO CC(C)(C)c1cn(CC=C(Cl)Cl)c[nH+]1 ZINC000865376323 589428239 /nfs/dbraw/zinc/42/82/39/589428239.db2.gz JEENCKVGDMRYMI-UHFFFAOYSA-N 1 2 233.142 3.500 20 0 BGADLO CC(C)(C)c1cn(CCCCCF)c[nH+]1 ZINC000865376331 589428498 /nfs/dbraw/zinc/42/84/98/589428498.db2.gz JKQUERUWTFVYOC-UHFFFAOYSA-N 1 2 212.312 3.320 20 0 BGADLO CC(C)(C)c1cn(CC2=CCCC2)c[nH+]1 ZINC000865376436 636812798 /nfs/dbraw/zinc/81/27/98/636812798.db2.gz NGZOAWOLKPAZFR-UHFFFAOYSA-N 1 2 204.317 3.291 20 0 BGADLO CCc1noc(C)c1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000865376437 636811824 /nfs/dbraw/zinc/81/18/24/636811824.db2.gz NIGGVBHKUFZHOE-UHFFFAOYSA-N 1 2 247.342 3.088 20 0 BGADLO COc1ccc(Cn2c[nH+]c(C(C)(C)C)c2)cc1 ZINC000865376442 589428780 /nfs/dbraw/zinc/42/87/80/589428780.db2.gz NPPARPFBLBTRCQ-UHFFFAOYSA-N 1 2 244.338 3.238 20 0 BGADLO CCc1ccc(Cn2c[nH+]c(C(C)(C)C)c2)nc1 ZINC000865376485 589428751 /nfs/dbraw/zinc/42/87/51/589428751.db2.gz OXPJBAFWQPTLML-UHFFFAOYSA-N 1 2 243.354 3.186 20 0 BGADLO CC(C)(C)c1cn(CC2CC=CC2)c[nH+]1 ZINC000865376513 589428782 /nfs/dbraw/zinc/42/87/82/589428782.db2.gz QRBIBVASPUSPNN-UHFFFAOYSA-N 1 2 204.317 3.147 20 0 BGADLO CC(C)(C)c1cn(Cc2cnoc2C2CC2)c[nH+]1 ZINC000865376525 589428800 /nfs/dbraw/zinc/42/88/00/589428800.db2.gz RIMGJASQJAPASK-UHFFFAOYSA-N 1 2 245.326 3.094 20 0 BGADLO CC(C)(C)c1cn(CC(=O)C2CCCCC2)c[nH+]1 ZINC000865376558 589428798 /nfs/dbraw/zinc/42/87/98/589428798.db2.gz TUEKZFPARGZZNB-UHFFFAOYSA-N 1 2 248.370 3.330 20 0 BGADLO CC(C)(C)c1cn(C[C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000865376591 589428732 /nfs/dbraw/zinc/42/87/32/589428732.db2.gz VDZXNTOIDOLXOD-ZSBIGDGJSA-N 1 2 218.344 3.227 20 0 BGADLO CC(C)(C)c1cn(CCOC2CCCC2)c[nH+]1 ZINC000865376599 589428848 /nfs/dbraw/zinc/42/88/48/589428848.db2.gz VJMOMVOFKYDPQN-UHFFFAOYSA-N 1 2 236.359 3.140 20 0 BGADLO Cc1ncsc1CCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376609 589428748 /nfs/dbraw/zinc/42/87/48/589428748.db2.gz VRFPMNWQBKPZEZ-UHFFFAOYSA-N 1 2 249.383 3.188 20 0 BGADLO CC(C)(C)c1cn(COC2CCCCC2)c[nH+]1 ZINC000865376612 589429007 /nfs/dbraw/zinc/42/90/07/589429007.db2.gz VXLYHCIOERTILZ-UHFFFAOYSA-N 1 2 236.359 3.487 20 0 BGADLO CC(C)(C)c1cn(Cc2coc(C3CC3)n2)c[nH+]1 ZINC000865376626 636812951 /nfs/dbraw/zinc/81/29/51/636812951.db2.gz WTYJYSDCJITWQD-UHFFFAOYSA-N 1 2 245.326 3.094 20 0 BGADLO CC(C)(C)c1cn(CC[C@H]2CCCCO2)c[nH+]1 ZINC000865376627 636811695 /nfs/dbraw/zinc/81/16/95/636811695.db2.gz WUTWBCFZBBFYJS-GFCCVEGCSA-N 1 2 236.359 3.140 20 0 BGADLO CC(C)(C)c1cn(CC[C@@H]2CCCCO2)c[nH+]1 ZINC000865376628 636812982 /nfs/dbraw/zinc/81/29/82/636812982.db2.gz WUTWBCFZBBFYJS-LBPRGKRZSA-N 1 2 236.359 3.140 20 0 BGADLO CC(C)(C)c1cn([C@H]2CCC(C)(C)C2=O)c[nH+]1 ZINC000865376631 589428866 /nfs/dbraw/zinc/42/88/66/589428866.db2.gz WYQQZIZVIXOLFW-JTQLQIEISA-N 1 2 234.343 3.111 20 0 BGADLO CC(C)(C)c1cn([C@@H]2CCC(C)(C)C2=O)c[nH+]1 ZINC000865376632 589428697 /nfs/dbraw/zinc/42/86/97/589428697.db2.gz WYQQZIZVIXOLFW-SNVBAGLBSA-N 1 2 234.343 3.111 20 0 BGADLO CC(C)SCCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376665 645717253 /nfs/dbraw/zinc/71/72/53/645717253.db2.gz YADNIPYTXQCXHH-UHFFFAOYSA-N 1 2 226.389 3.322 20 0 BGADLO CC(C)(C)c1cn(CC2CC(F)(F)C2)c[nH+]1 ZINC000865376666 636812595 /nfs/dbraw/zinc/81/25/95/636812595.db2.gz YBXNCDWFBFQMFW-UHFFFAOYSA-N 1 2 228.286 3.226 20 0 BGADLO CC(C)SCn1c[nH+]c(C(C)(C)C)c1 ZINC000865376683 589428831 /nfs/dbraw/zinc/42/88/31/589428831.db2.gz YTGDJOCIRHAJNZ-UHFFFAOYSA-N 1 2 212.362 3.280 20 0 BGADLO CCc1ccccc1NCc1cn(C2CC2)c[nH+]1 ZINC000865421500 589434802 /nfs/dbraw/zinc/43/48/02/589434802.db2.gz HYGNLBRPGWTIAE-UHFFFAOYSA-N 1 2 241.338 3.393 20 0 BGADLO Cc1cccc(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865421800 589434905 /nfs/dbraw/zinc/43/49/05/589434905.db2.gz CRVRFKRLRASFQG-UHFFFAOYSA-N 1 2 227.311 3.139 20 0 BGADLO Cc1ccc(NCc2cn(C3CC3)c[nH+]2)cc1F ZINC000865421894 589434846 /nfs/dbraw/zinc/43/48/46/589434846.db2.gz FSOHDPROQUXREU-UHFFFAOYSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1ccc(NCc2cn(C3CC3)c[nH+]2)c(C)c1 ZINC000865421912 589434674 /nfs/dbraw/zinc/43/46/74/589434674.db2.gz MDVKGSIDWKTABQ-UHFFFAOYSA-N 1 2 241.338 3.447 20 0 BGADLO Cc1ccc(NCc2cn(C3CC3)c[nH+]2)cc1C ZINC000865422116 589434967 /nfs/dbraw/zinc/43/49/67/589434967.db2.gz HFHSAPVKATYHPD-UHFFFAOYSA-N 1 2 241.338 3.447 20 0 BGADLO CCc1ccc(NCc2cn(C3CC3)c[nH+]2)cc1 ZINC000865422163 589435117 /nfs/dbraw/zinc/43/51/17/589435117.db2.gz IGZATSLHSHWXLS-UHFFFAOYSA-N 1 2 241.338 3.393 20 0 BGADLO Cc1cc(F)ccc1NCc1cn(C2CC2)c[nH+]1 ZINC000865422168 589435125 /nfs/dbraw/zinc/43/51/25/589435125.db2.gz OEUGLVJXRCWBAR-UHFFFAOYSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1cccc(NCc2cn(C3CC3)c[nH+]2)c1C ZINC000865422266 589434667 /nfs/dbraw/zinc/43/46/67/589434667.db2.gz RCKCARLSWDOPJB-UHFFFAOYSA-N 1 2 241.338 3.447 20 0 BGADLO CCc1cccc(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865422321 589434838 /nfs/dbraw/zinc/43/48/38/589434838.db2.gz LQPHHAZJCVRBJM-UHFFFAOYSA-N 1 2 241.338 3.393 20 0 BGADLO Cc1ccc(NCc2cn(C3CC3)c[nH+]2)cc1 ZINC000865422364 589434894 /nfs/dbraw/zinc/43/48/94/589434894.db2.gz MUMRCKIOGWZQEV-UHFFFAOYSA-N 1 2 227.311 3.139 20 0 BGADLO Cc1ccccc1NCc1cn(C2CC2)c[nH+]1 ZINC000865422376 589434780 /nfs/dbraw/zinc/43/47/80/589434780.db2.gz SWWRWMFLFCXNIO-UHFFFAOYSA-N 1 2 227.311 3.139 20 0 BGADLO Cc1cc(C)cc(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865422484 589434719 /nfs/dbraw/zinc/43/47/19/589434719.db2.gz OAQWCUHYNWOUSE-UHFFFAOYSA-N 1 2 241.338 3.447 20 0 BGADLO Clc1cccc(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865438021 589435927 /nfs/dbraw/zinc/43/59/27/589435927.db2.gz XHQOFGALAQNLNQ-UHFFFAOYSA-N 1 2 247.729 3.484 20 0 BGADLO Clc1ccccc1NCc1cn(C2CC2)c[nH+]1 ZINC000865495360 589441156 /nfs/dbraw/zinc/44/11/56/589441156.db2.gz JZDFEWIYAKZZJB-UHFFFAOYSA-N 1 2 247.729 3.484 20 0 BGADLO Cc1ccc(C)c(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865495635 589441407 /nfs/dbraw/zinc/44/14/07/589441407.db2.gz MXCLUWPKRGKPBK-UHFFFAOYSA-N 1 2 241.338 3.447 20 0 BGADLO Cc1ccc(F)cc1NCc1cn(C2CC2)c[nH+]1 ZINC000865496219 589441012 /nfs/dbraw/zinc/44/10/12/589441012.db2.gz SITOUSSURDSDBB-UHFFFAOYSA-N 1 2 245.301 3.278 20 0 BGADLO Fc1cc(F)cc(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865496389 589441152 /nfs/dbraw/zinc/44/11/52/589441152.db2.gz ALGUUQCVVURJMW-UHFFFAOYSA-N 1 2 249.264 3.108 20 0 BGADLO Cc1c(F)cccc1NCc1cn(C2CC2)c[nH+]1 ZINC000865496453 589441263 /nfs/dbraw/zinc/44/12/63/589441263.db2.gz AXIOMJYBWTYWCB-UHFFFAOYSA-N 1 2 245.301 3.278 20 0 BGADLO Clc1ccc(NCc2cn(C3CC3)c[nH+]2)cc1 ZINC000865496686 589440982 /nfs/dbraw/zinc/44/09/82/589440982.db2.gz XBWDBIKHZALHQQ-UHFFFAOYSA-N 1 2 247.729 3.484 20 0 BGADLO Cc1cc(F)cc(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865497516 589441831 /nfs/dbraw/zinc/44/18/31/589441831.db2.gz MINBLWQIBOONPG-UHFFFAOYSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1cc(NCc2cn(C3CC3)c[nH+]2)ccc1F ZINC000865512083 589442889 /nfs/dbraw/zinc/44/28/89/589442889.db2.gz KILIVYJMZJSCQB-UHFFFAOYSA-N 1 2 245.301 3.278 20 0 BGADLO Fc1ccc(NCc2cn(C3CC3)c[nH+]2)cc1F ZINC000865513552 589442829 /nfs/dbraw/zinc/44/28/29/589442829.db2.gz QALCJANYRMVMPS-UHFFFAOYSA-N 1 2 249.264 3.108 20 0 BGADLO Cc1ccc(NCc2cn(C3CC3)c[nH+]2)c(F)c1 ZINC000865514370 589443164 /nfs/dbraw/zinc/44/31/64/589443164.db2.gz OYRFKPIVIDFSDM-UHFFFAOYSA-N 1 2 245.301 3.278 20 0 BGADLO Cc1ccc(F)c(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865514764 589443198 /nfs/dbraw/zinc/44/31/98/589443198.db2.gz SVCSGNXAASLJOW-UHFFFAOYSA-N 1 2 245.301 3.278 20 0 BGADLO Fc1ccc(NCc2cn(C3CC3)c[nH+]2)c(F)c1 ZINC000865521400 589442855 /nfs/dbraw/zinc/44/28/55/589442855.db2.gz VHMCFWMTBIGLNB-UHFFFAOYSA-N 1 2 249.264 3.108 20 0 BGADLO Fc1ccc(F)c(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865521449 589442838 /nfs/dbraw/zinc/44/28/38/589442838.db2.gz XFAHGBIPGRITBL-UHFFFAOYSA-N 1 2 249.264 3.108 20 0 BGADLO Cc1cccc(NCc2cn(C3CC3)c[nH+]2)c1F ZINC000865521864 589442893 /nfs/dbraw/zinc/44/28/93/589442893.db2.gz FNFHGSGSUVOSKZ-UHFFFAOYSA-N 1 2 245.301 3.278 20 0 BGADLO CC(C)(C)Oc1cccc(C[NH2+]CC(F)F)c1 ZINC000865564748 589446929 /nfs/dbraw/zinc/44/69/29/589446929.db2.gz PXXOQRVUMFFZDB-UHFFFAOYSA-N 1 2 243.297 3.219 20 0 BGADLO CC[C@@]1(C)CCCN(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000865568045 589447484 /nfs/dbraw/zinc/44/74/84/589447484.db2.gz XSPOBGLDJLZTNH-DOMZBBRYSA-N 1 2 248.370 3.151 20 0 BGADLO CC[C@]1(C)CCCN(c2ccc([C@@H](C)O)c[nH+]2)C1 ZINC000865568046 589447577 /nfs/dbraw/zinc/44/75/77/589447577.db2.gz XSPOBGLDJLZTNH-IUODEOHRSA-N 1 2 248.370 3.151 20 0 BGADLO CC[C@]1(C)CCCN(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000865568047 589447586 /nfs/dbraw/zinc/44/75/86/589447586.db2.gz XSPOBGLDJLZTNH-SWLSCSKDSA-N 1 2 248.370 3.151 20 0 BGADLO CC[C@@]1(C)CCCN(c2ccc([C@H](C)O)c[nH+]2)C1 ZINC000865568048 589447609 /nfs/dbraw/zinc/44/76/09/589447609.db2.gz XSPOBGLDJLZTNH-WFASDCNBSA-N 1 2 248.370 3.151 20 0 BGADLO CC(C)Cc1cc(NCCC(F)(F)F)nc[nH+]1 ZINC000865568806 589447413 /nfs/dbraw/zinc/44/74/13/589447413.db2.gz CEWGTPVSADFGBU-UHFFFAOYSA-N 1 2 247.264 3.039 20 0 BGADLO Cc1cc(C(F)(F)F)c[nH+]c1NCC(F)F ZINC000865573209 589447789 /nfs/dbraw/zinc/44/77/89/589447789.db2.gz KBEJXTPWUWQWBO-UHFFFAOYSA-N 1 2 240.175 3.086 20 0 BGADLO Cc1c(Cl)cccc1C[NH2+]C(CF)CF ZINC000865583201 589449472 /nfs/dbraw/zinc/44/94/72/589449472.db2.gz OUCOSWYSMHLHFG-UHFFFAOYSA-N 1 2 233.689 3.046 20 0 BGADLO C[C@H](O)c1ccc(NCC23CCC(CC2)C3)[nH+]c1 ZINC000865642527 589454041 /nfs/dbraw/zinc/45/40/41/589454041.db2.gz IWPGEVDDVRYPCY-BZUNDVKYSA-N 1 2 246.354 3.127 20 0 BGADLO C[C@@H](O)c1ccc(NCC23CCC(CC2)C3)[nH+]c1 ZINC000865642528 589454010 /nfs/dbraw/zinc/45/40/10/589454010.db2.gz IWPGEVDDVRYPCY-XIKARTHZSA-N 1 2 246.354 3.127 20 0 BGADLO CCCCc1cc(N[C@H](C)c2ccc[nH]2)nc[nH+]1 ZINC000865648105 589454170 /nfs/dbraw/zinc/45/41/70/589454170.db2.gz TWCKVBXOMCQBEI-LLVKDONJSA-N 1 2 244.342 3.320 20 0 BGADLO CCCCc1cc(N[C@@H](C)c2ccc[nH]2)nc[nH+]1 ZINC000865648106 589454133 /nfs/dbraw/zinc/45/41/33/589454133.db2.gz TWCKVBXOMCQBEI-NSHDSACASA-N 1 2 244.342 3.320 20 0 BGADLO C[C@H](O)c1ccc(N2C[C@H](C)CC(C)(C)C2)[nH+]c1 ZINC000865672534 589455632 /nfs/dbraw/zinc/45/56/32/589455632.db2.gz SYIJJHAEJQIFLP-NEPJUHHUSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@@H](O)c1ccc(N2C[C@@H](C)CC(C)(C)C2)[nH+]c1 ZINC000865672535 589455617 /nfs/dbraw/zinc/45/56/17/589455617.db2.gz SYIJJHAEJQIFLP-NWDGAFQWSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@H](O)c1ccc(N2C[C@@H](C)CC(C)(C)C2)[nH+]c1 ZINC000865672536 589455710 /nfs/dbraw/zinc/45/57/10/589455710.db2.gz SYIJJHAEJQIFLP-RYUDHWBXSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@@H](O)c1ccc(N2C[C@H](C)CC(C)(C)C2)[nH+]c1 ZINC000865672537 589455720 /nfs/dbraw/zinc/45/57/20/589455720.db2.gz SYIJJHAEJQIFLP-VXGBXAGGSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@H](O)c1ccc(N2CC[C@@H](C)C(C)(C)C2)[nH+]c1 ZINC000865679007 589455951 /nfs/dbraw/zinc/45/59/51/589455951.db2.gz UIVYROCVVZWFBW-NEPJUHHUSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@@H](O)c1ccc(N2CC[C@H](C)C(C)(C)C2)[nH+]c1 ZINC000865679008 589455855 /nfs/dbraw/zinc/45/58/55/589455855.db2.gz UIVYROCVVZWFBW-NWDGAFQWSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@H](O)c1ccc(N2CC[C@H](C)C(C)(C)C2)[nH+]c1 ZINC000865679009 589455743 /nfs/dbraw/zinc/45/57/43/589455743.db2.gz UIVYROCVVZWFBW-RYUDHWBXSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@@H](O)c1ccc(N2CC[C@@H](C)C(C)(C)C2)[nH+]c1 ZINC000865679010 589455965 /nfs/dbraw/zinc/45/59/65/589455965.db2.gz UIVYROCVVZWFBW-VXGBXAGGSA-N 1 2 248.370 3.007 20 0 BGADLO F[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000865698798 589457155 /nfs/dbraw/zinc/45/71/55/589457155.db2.gz HZEODGUJBFGVAS-SFYZADRCSA-N 1 2 248.754 3.167 20 0 BGADLO FC(F)(F)c1c[nH+]ccc1N1CCCCCO1 ZINC000865720342 589458198 /nfs/dbraw/zinc/45/81/98/589458198.db2.gz DCYPIKVPGFHVLX-UHFFFAOYSA-N 1 2 246.232 3.022 20 0 BGADLO COCc1cc([NH2+][C@@H](C)C2CC2)ccc1OC ZINC000865751269 589460696 /nfs/dbraw/zinc/46/06/96/589460696.db2.gz JPPMSCBAXOQWLT-JTQLQIEISA-N 1 2 235.327 3.052 20 0 BGADLO COCc1cc([NH2+][C@H](C)C2CC2)ccc1OC ZINC000865751270 589460748 /nfs/dbraw/zinc/46/07/48/589460748.db2.gz JPPMSCBAXOQWLT-SNVBAGLBSA-N 1 2 235.327 3.052 20 0 BGADLO COCc1cc([NH2+]CC(C)(C)C)ccc1OC ZINC000865751405 589460682 /nfs/dbraw/zinc/46/06/82/589460682.db2.gz MJRROQDEPPNPSR-UHFFFAOYSA-N 1 2 237.343 3.300 20 0 BGADLO COCc1cc([NH2+]CC2(C)CC2)ccc1OC ZINC000865751592 589460728 /nfs/dbraw/zinc/46/07/28/589460728.db2.gz RFKRRQRTQSQGEP-UHFFFAOYSA-N 1 2 235.327 3.054 20 0 BGADLO COCc1cc([NH2+]C2CCCC2)ccc1OC ZINC000865752322 589460889 /nfs/dbraw/zinc/46/08/89/589460889.db2.gz RYCWOPUOLXQWGA-UHFFFAOYSA-N 1 2 235.327 3.196 20 0 BGADLO Cc1cc(C[NH2+]Cc2ccc(C(C)(C)C)o2)on1 ZINC000865814918 589462838 /nfs/dbraw/zinc/46/28/38/589462838.db2.gz LOSSDHBXUBUDAY-UHFFFAOYSA-N 1 2 248.326 3.163 20 0 BGADLO Cc1nocc1C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC000865815361 589463005 /nfs/dbraw/zinc/46/30/05/589463005.db2.gz VSKJJGDITQRVJF-UHFFFAOYSA-N 1 2 248.326 3.163 20 0 BGADLO Cc1c[nH]c(CNc2ccc(C3CC3)cc2F)[nH+]1 ZINC000865833415 589463838 /nfs/dbraw/zinc/46/38/38/589463838.db2.gz HKWOHXWPAYQHKY-UHFFFAOYSA-N 1 2 245.301 3.347 20 0 BGADLO Fc1cc(C2CC2)ccc1NCc1[nH]cc[nH+]1 ZINC000865835007 589463960 /nfs/dbraw/zinc/46/39/60/589463960.db2.gz MRLRRYLALRXOJS-UHFFFAOYSA-N 1 2 231.274 3.038 20 0 BGADLO Cn1c[nH+]c(CNc2ccc(C3CC3)cc2F)c1 ZINC000865835144 589463900 /nfs/dbraw/zinc/46/39/00/589463900.db2.gz ONNBQTBTTCZWRU-UHFFFAOYSA-N 1 2 245.301 3.049 20 0 BGADLO Cn1c[nH+]cc1CNc1ccc(C2CC2)cc1F ZINC000865835296 589463801 /nfs/dbraw/zinc/46/38/01/589463801.db2.gz PNMVBGIFZYNWEY-UHFFFAOYSA-N 1 2 245.301 3.049 20 0 BGADLO Cn1cc[nH+]c1CNc1ccc(C2CC2)cc1F ZINC000865835342 589463787 /nfs/dbraw/zinc/46/37/87/589463787.db2.gz QOKWQHPRPPXKDX-UHFFFAOYSA-N 1 2 245.301 3.049 20 0 BGADLO CCc1csc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000865857319 589465180 /nfs/dbraw/zinc/46/51/80/589465180.db2.gz PKSRPGHQJXWNCI-PSASIEDQSA-N 1 2 248.355 3.020 20 0 BGADLO CCc1csc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)n1 ZINC000865857321 589465343 /nfs/dbraw/zinc/46/53/43/589465343.db2.gz PKSRPGHQJXWNCI-SCZZXKLOSA-N 1 2 248.355 3.020 20 0 BGADLO CCc1csc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000865857323 589465441 /nfs/dbraw/zinc/46/54/41/589465441.db2.gz PKSRPGHQJXWNCI-WCBMZHEXSA-N 1 2 248.355 3.020 20 0 BGADLO CCc1csc(N[C@H]2C[C@H](C)n3cc[nH+]c32)n1 ZINC000865857325 589465422 /nfs/dbraw/zinc/46/54/22/589465422.db2.gz PKSRPGHQJXWNCI-WPRPVWTQSA-N 1 2 248.355 3.020 20 0 BGADLO CC[C@H](Nc1ccc([C@H](C)O)c[nH+]1)[C@@H]1CC1(C)C ZINC000865882738 589467162 /nfs/dbraw/zinc/46/71/62/589467162.db2.gz XLGRZESYOOTZHI-DRZSPHRISA-N 1 2 248.370 3.372 20 0 BGADLO CC[C@H](Nc1ccc([C@@H](C)O)c[nH+]1)[C@H]1CC1(C)C ZINC000865882739 589467166 /nfs/dbraw/zinc/46/71/66/589467166.db2.gz XLGRZESYOOTZHI-RTXFEEFZSA-N 1 2 248.370 3.372 20 0 BGADLO CC[C@H](Nc1ccc([C@H](C)O)c[nH+]1)[C@H]1CC1(C)C ZINC000865882740 589467136 /nfs/dbraw/zinc/46/71/36/589467136.db2.gz XLGRZESYOOTZHI-UHTWSYAYSA-N 1 2 248.370 3.372 20 0 BGADLO CC[C@H](Nc1ccc([C@@H](C)O)c[nH+]1)[C@@H]1CC1(C)C ZINC000865882741 589467257 /nfs/dbraw/zinc/46/72/57/589467257.db2.gz XLGRZESYOOTZHI-WXHSDQCUSA-N 1 2 248.370 3.372 20 0 BGADLO Cc1cc(C(F)(F)F)c[nH+]c1N[C@@H]1CC12CC2 ZINC000865890543 589467540 /nfs/dbraw/zinc/46/75/40/589467540.db2.gz VKXLRRRHRVUQCL-SECBINFHSA-N 1 2 242.244 3.373 20 0 BGADLO Cc1cc(C(F)(F)F)c[nH+]c1N[C@H]1CC12CC2 ZINC000865890545 589467309 /nfs/dbraw/zinc/46/73/09/589467309.db2.gz VKXLRRRHRVUQCL-VIFPVBQESA-N 1 2 242.244 3.373 20 0 BGADLO C[C@@H](O)c1ccc(N[C@@H]2C[C@H]2CC(C)(C)C)[nH+]c1 ZINC000865908076 589468331 /nfs/dbraw/zinc/46/83/31/589468331.db2.gz OLHNQZCDKSHSCZ-KGYLQXTDSA-N 1 2 248.370 3.372 20 0 BGADLO C[C@H](O)c1ccc(N[C@@H]2C[C@H]2CC(C)(C)C)[nH+]c1 ZINC000865908078 589468251 /nfs/dbraw/zinc/46/82/51/589468251.db2.gz OLHNQZCDKSHSCZ-WCFLWFBJSA-N 1 2 248.370 3.372 20 0 BGADLO CC1(Nc2[nH+]cnc3[nH]c(Cl)cc32)CC=CC1 ZINC000865915898 589468445 /nfs/dbraw/zinc/46/84/45/589468445.db2.gz IOMROEHIEGRBIE-UHFFFAOYSA-N 1 2 248.717 3.084 20 0 BGADLO C[C@@H](O)c1ccc(NCC[C@@H]2CC=CCC2)[nH+]c1 ZINC000865970796 589470977 /nfs/dbraw/zinc/47/09/77/589470977.db2.gz YDDGMEGWDGGXNK-CHWSQXEVSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@@H](O)c1ccc(NCC[C@H]2CC=CCC2)[nH+]c1 ZINC000865970798 589470869 /nfs/dbraw/zinc/47/08/69/589470869.db2.gz YDDGMEGWDGGXNK-OLZOCXBDSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@H](O)c1ccc(NCC[C@@H]2CC=CCC2)[nH+]c1 ZINC000865970800 589470830 /nfs/dbraw/zinc/47/08/30/589470830.db2.gz YDDGMEGWDGGXNK-QWHCGFSZSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@H](O)c1ccc(NCC[C@H]2CC=CCC2)[nH+]c1 ZINC000865970801 589470796 /nfs/dbraw/zinc/47/07/96/589470796.db2.gz YDDGMEGWDGGXNK-STQMWFEESA-N 1 2 246.354 3.293 20 0 BGADLO F[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000866047623 589473938 /nfs/dbraw/zinc/47/39/38/589473938.db2.gz DHQNEUIFDAVGSZ-MNOVXSKESA-N 1 2 235.306 3.047 20 0 BGADLO Cc1ccc(CNc2cc[nH+]c(C(C)C)n2)o1 ZINC000866091628 589475636 /nfs/dbraw/zinc/47/56/36/589475636.db2.gz APRZBZZDSQYJNK-UHFFFAOYSA-N 1 2 231.299 3.114 20 0 BGADLO c1cc(NCC[C@H]2CCCS2)nc(C2CC2)[nH+]1 ZINC000866093065 589475538 /nfs/dbraw/zinc/47/55/38/589475538.db2.gz BXABHAFZLZXPQB-LLVKDONJSA-N 1 2 249.383 3.052 20 0 BGADLO c1cc(NCC[C@@H]2CCCS2)nc(C2CC2)[nH+]1 ZINC000866093066 589475543 /nfs/dbraw/zinc/47/55/43/589475543.db2.gz BXABHAFZLZXPQB-NSHDSACASA-N 1 2 249.383 3.052 20 0 BGADLO c1ccc(N2CCC[C@H](OC3CCC3)CC2)[nH+]c1 ZINC000866148341 589478267 /nfs/dbraw/zinc/47/82/67/589478267.db2.gz XSDVEJKKJZVZBV-AWEZNQCLSA-N 1 2 246.354 3.010 20 0 BGADLO c1ccc(N2CCC[C@@H](OC3CCC3)CC2)[nH+]c1 ZINC000866148342 589478215 /nfs/dbraw/zinc/47/82/15/589478215.db2.gz XSDVEJKKJZVZBV-CQSZACIVSA-N 1 2 246.354 3.010 20 0 BGADLO CC(C)c1nc(N2C[C@@H]3CC=CC[C@@H]3C2)cc[nH+]1 ZINC000866163162 589478664 /nfs/dbraw/zinc/47/86/64/589478664.db2.gz HGSLYMRBRMNSAL-BETUJISGSA-N 1 2 243.354 3.002 20 0 BGADLO Cc1cc(NCc2ccc(C(C)(C)C)o2)nc[nH+]1 ZINC000866196224 589479638 /nfs/dbraw/zinc/47/96/38/589479638.db2.gz AQGBRAYLAXWWGE-UHFFFAOYSA-N 1 2 245.326 3.288 20 0 BGADLO Cc1nc(NCc2ccc(C(C)(C)C)o2)cc[nH+]1 ZINC000866197335 589479585 /nfs/dbraw/zinc/47/95/85/589479585.db2.gz SBEQSXKTSNAIQH-UHFFFAOYSA-N 1 2 245.326 3.288 20 0 BGADLO CCC[C@@H]([NH2+]Cc1ccon1)c1cc(C)ccn1 ZINC000866277857 589484151 /nfs/dbraw/zinc/48/41/51/589484151.db2.gz JNOYSVUZCBKNSN-CYBMUJFWSA-N 1 2 245.326 3.009 20 0 BGADLO CCC[C@H]([NH2+]Cc1ccon1)c1cc(C)ccn1 ZINC000866277858 589484239 /nfs/dbraw/zinc/48/42/39/589484239.db2.gz JNOYSVUZCBKNSN-ZDUSSCGKSA-N 1 2 245.326 3.009 20 0 BGADLO Cc1cncc([C@@H]2CCCN2c2cccc[nH+]2)c1 ZINC000866279240 589484130 /nfs/dbraw/zinc/48/41/30/589484130.db2.gz MNUACNUTLMWRBT-AWEZNQCLSA-N 1 2 239.322 3.127 20 0 BGADLO Cc1cncc([C@H]2CCCN2c2cccc[nH+]2)c1 ZINC000866279241 589484177 /nfs/dbraw/zinc/48/41/77/589484177.db2.gz MNUACNUTLMWRBT-CQSZACIVSA-N 1 2 239.322 3.127 20 0 BGADLO CC[C@H](C[C@@H](C)O)Nc1[nH+]ccc(C)c1Cl ZINC000866300769 589484721 /nfs/dbraw/zinc/48/47/21/589484721.db2.gz DCSFNTKKJWHBDR-NXEZZACHSA-N 1 2 242.750 3.005 20 0 BGADLO CC[C@@H](C[C@H](C)O)Nc1[nH+]ccc(C)c1Cl ZINC000866300770 589484837 /nfs/dbraw/zinc/48/48/37/589484837.db2.gz DCSFNTKKJWHBDR-UWVGGRQHSA-N 1 2 242.750 3.005 20 0 BGADLO CC[C@H](C[C@H](C)O)Nc1[nH+]ccc(C)c1Cl ZINC000866300771 589484370 /nfs/dbraw/zinc/48/43/70/589484370.db2.gz DCSFNTKKJWHBDR-VHSXEESVSA-N 1 2 242.750 3.005 20 0 BGADLO CC[C@@H](C[C@@H](C)O)Nc1[nH+]ccc(C)c1Cl ZINC000866300772 589484327 /nfs/dbraw/zinc/48/43/27/589484327.db2.gz DCSFNTKKJWHBDR-ZJUUUORDSA-N 1 2 242.750 3.005 20 0 BGADLO Cc1ccc(N[C@@H](C2CCC2)[C@H]2CCCO2)c[nH+]1 ZINC000866322658 589486343 /nfs/dbraw/zinc/48/63/43/589486343.db2.gz AQDLTFLRGZRNBG-CABCVRRESA-N 1 2 246.354 3.150 20 0 BGADLO Cc1ccc(N[C@@H](C2CCC2)[C@@H]2CCCO2)c[nH+]1 ZINC000866322659 589486334 /nfs/dbraw/zinc/48/63/34/589486334.db2.gz AQDLTFLRGZRNBG-GJZGRUSLSA-N 1 2 246.354 3.150 20 0 BGADLO Cc1ccc(N[C@H](C2CCC2)[C@H]2CCCO2)c[nH+]1 ZINC000866322660 589486252 /nfs/dbraw/zinc/48/62/52/589486252.db2.gz AQDLTFLRGZRNBG-HUUCEWRRSA-N 1 2 246.354 3.150 20 0 BGADLO Cc1ccc(N[C@H](C2CCC2)[C@@H]2CCCO2)c[nH+]1 ZINC000866322661 589486316 /nfs/dbraw/zinc/48/63/16/589486316.db2.gz AQDLTFLRGZRNBG-LSDHHAIUSA-N 1 2 246.354 3.150 20 0 BGADLO Cc1ccc(N[C@H](C)CCc2cccnc2)c[nH+]1 ZINC000866323084 589486298 /nfs/dbraw/zinc/48/62/98/589486298.db2.gz IOGQZYRSRMDYKC-CYBMUJFWSA-N 1 2 241.338 3.218 20 0 BGADLO Cc1ccc(N[C@@H](C)CCc2cccnc2)c[nH+]1 ZINC000866323086 589486387 /nfs/dbraw/zinc/48/63/87/589486387.db2.gz IOGQZYRSRMDYKC-ZDUSSCGKSA-N 1 2 241.338 3.218 20 0 BGADLO Cc1c[nH+]cc(N[C@H](C)CCc2cccnc2)c1 ZINC000866323755 589486644 /nfs/dbraw/zinc/48/66/44/589486644.db2.gz LZWXRTGKMAUKIR-CYBMUJFWSA-N 1 2 241.338 3.218 20 0 BGADLO Cc1c[nH+]cc(N[C@@H](C)CCc2cccnc2)c1 ZINC000866323757 589486450 /nfs/dbraw/zinc/48/64/50/589486450.db2.gz LZWXRTGKMAUKIR-ZDUSSCGKSA-N 1 2 241.338 3.218 20 0 BGADLO Cc1[nH+]cccc1N[C@H](C)CCc1cccnc1 ZINC000866323887 589486606 /nfs/dbraw/zinc/48/66/06/589486606.db2.gz NCBDHJFERCKGKM-GFCCVEGCSA-N 1 2 241.338 3.218 20 0 BGADLO Cc1[nH+]cccc1N[C@@H](C)CCc1cccnc1 ZINC000866323888 589486577 /nfs/dbraw/zinc/48/65/77/589486577.db2.gz NCBDHJFERCKGKM-LBPRGKRZSA-N 1 2 241.338 3.218 20 0 BGADLO CC(C)[C@@H]([NH2+]CC(C)(F)F)c1ccccn1 ZINC000866362756 589488250 /nfs/dbraw/zinc/48/82/50/589488250.db2.gz HLPUONSVITXMSS-LLVKDONJSA-N 1 2 228.286 3.024 20 0 BGADLO CC(C)[C@H]([NH2+]CC(C)(F)F)c1ccccn1 ZINC000866362759 589488295 /nfs/dbraw/zinc/48/82/95/589488295.db2.gz HLPUONSVITXMSS-NSHDSACASA-N 1 2 228.286 3.024 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC000866396939 589490356 /nfs/dbraw/zinc/49/03/56/589490356.db2.gz CXKXZFCPNMAHBZ-GFCCVEGCSA-N 1 2 242.313 3.414 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](c1ccccn1)C(C)C ZINC000866396940 589490300 /nfs/dbraw/zinc/49/03/00/589490300.db2.gz CXKXZFCPNMAHBZ-LBPRGKRZSA-N 1 2 242.313 3.414 20 0 BGADLO Cc1ccc(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)c(C)[nH+]1 ZINC000866493267 589497551 /nfs/dbraw/zinc/49/75/51/589497551.db2.gz YYVLJASBZGFAQS-VXGBXAGGSA-N 1 2 246.354 3.319 20 0 BGADLO CCC(CC)[NH2+]c1ccc(OC)c(COC)c1 ZINC000866496888 584119759 /nfs/dbraw/zinc/11/97/59/584119759.db2.gz ABKKEEMOUSROGM-UHFFFAOYSA-N 1 2 237.343 3.442 20 0 BGADLO COCc1cc([NH2+][C@H](C)C(C)C)ccc1OC ZINC000866498170 589497352 /nfs/dbraw/zinc/49/73/52/589497352.db2.gz VOHRROPWNPLRJA-LLVKDONJSA-N 1 2 237.343 3.298 20 0 BGADLO COCc1cc([NH2+][C@@H](C)C(C)C)ccc1OC ZINC000866498171 589497292 /nfs/dbraw/zinc/49/72/92/589497292.db2.gz VOHRROPWNPLRJA-NSHDSACASA-N 1 2 237.343 3.298 20 0 BGADLO CCC[C@@H](C)[NH2+]c1ccc(OC)c(COC)c1 ZINC000866498384 589497640 /nfs/dbraw/zinc/49/76/40/589497640.db2.gz YPCNIAZSRZOMQF-LLVKDONJSA-N 1 2 237.343 3.442 20 0 BGADLO CCC[C@H](C)[NH2+]c1ccc(OC)c(COC)c1 ZINC000866498385 589497850 /nfs/dbraw/zinc/49/78/50/589497850.db2.gz YPCNIAZSRZOMQF-NSHDSACASA-N 1 2 237.343 3.442 20 0 BGADLO CC[C@H]([NH2+]c1ccc(OC)c(COC)c1)C1CC1 ZINC000866499783 589497840 /nfs/dbraw/zinc/49/78/40/589497840.db2.gz OVMKRYZNKAGPHH-AWEZNQCLSA-N 1 2 249.354 3.442 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(OC)c(COC)c1)C1CC1 ZINC000866499784 589497599 /nfs/dbraw/zinc/49/75/99/589497599.db2.gz OVMKRYZNKAGPHH-CQSZACIVSA-N 1 2 249.354 3.442 20 0 BGADLO COCc1cc([NH2+][C@H]2CC[C@@H]2C)ccc1OC ZINC000866499876 589497795 /nfs/dbraw/zinc/49/77/95/589497795.db2.gz RGLREFNBAKXPOV-GWCFXTLKSA-N 1 2 235.327 3.052 20 0 BGADLO COCc1cc([NH2+][C@@H]2CC[C@@H]2C)ccc1OC ZINC000866499877 589497712 /nfs/dbraw/zinc/49/77/12/589497712.db2.gz RGLREFNBAKXPOV-GXFFZTMASA-N 1 2 235.327 3.052 20 0 BGADLO COCc1cc([NH2+][C@H]2CC[C@H]2C)ccc1OC ZINC000866499878 589497667 /nfs/dbraw/zinc/49/76/67/589497667.db2.gz RGLREFNBAKXPOV-MFKMUULPSA-N 1 2 235.327 3.052 20 0 BGADLO COCc1cc([NH2+][C@@H]2CC[C@H]2C)ccc1OC ZINC000866499879 589497752 /nfs/dbraw/zinc/49/77/52/589497752.db2.gz RGLREFNBAKXPOV-ZWNOBZJWSA-N 1 2 235.327 3.052 20 0 BGADLO COCc1cc([NH2+][C@@H]2C[C@H](C)[C@@H]2C)ccc1OC ZINC000866500574 589497606 /nfs/dbraw/zinc/49/76/06/589497606.db2.gz FSIUFZLMGPBYTO-COPLHBTASA-N 1 2 249.354 3.298 20 0 BGADLO COCc1cc([NH2+][C@@H]2C[C@@H](C)[C@H]2C)ccc1OC ZINC000866500575 589497782 /nfs/dbraw/zinc/49/77/82/589497782.db2.gz FSIUFZLMGPBYTO-JTNHKYCSSA-N 1 2 249.354 3.298 20 0 BGADLO COCc1cc([NH2+][C@@H]2C[C@H](C)[C@H]2C)ccc1OC ZINC000866500576 589497687 /nfs/dbraw/zinc/49/76/87/589497687.db2.gz FSIUFZLMGPBYTO-MISXGVKJSA-N 1 2 249.354 3.298 20 0 BGADLO COCc1cc([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)ccc1OC ZINC000866500577 589497733 /nfs/dbraw/zinc/49/77/33/589497733.db2.gz FSIUFZLMGPBYTO-UHIISALHSA-N 1 2 249.354 3.298 20 0 BGADLO COCc1cc([NH2+][C@H](C)C2CCC2)ccc1OC ZINC000866500633 589497676 /nfs/dbraw/zinc/49/76/76/589497676.db2.gz XIEWIOROQRXYEF-LLVKDONJSA-N 1 2 249.354 3.442 20 0 BGADLO COCc1cc([NH2+][C@@H](C)C2CCC2)ccc1OC ZINC000866500634 589497649 /nfs/dbraw/zinc/49/76/49/589497649.db2.gz XIEWIOROQRXYEF-NSHDSACASA-N 1 2 249.354 3.442 20 0 BGADLO COCc1cc([NH2+][C@H](C)CC2CC2)ccc1OC ZINC000866500808 589497727 /nfs/dbraw/zinc/49/77/27/589497727.db2.gz ZENXRAOKHNMMNK-LLVKDONJSA-N 1 2 249.354 3.442 20 0 BGADLO COCc1cc([NH2+][C@@H](C)CC2CC2)ccc1OC ZINC000866500809 589497627 /nfs/dbraw/zinc/49/76/27/589497627.db2.gz ZENXRAOKHNMMNK-NSHDSACASA-N 1 2 249.354 3.442 20 0 BGADLO COCc1cc([NH2+]C2CC(C)(C)C2)ccc1OC ZINC000866501892 589497748 /nfs/dbraw/zinc/49/77/48/589497748.db2.gz XRHBYWADMQTEMY-UHFFFAOYSA-N 1 2 249.354 3.442 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)o1)c1ncc[nH]1 ZINC000866574298 589501384 /nfs/dbraw/zinc/50/13/84/589501384.db2.gz RJMBLOJEXUNELF-JTQLQIEISA-N 1 2 247.342 3.151 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)o1)c1ncc[nH]1 ZINC000866574300 589501411 /nfs/dbraw/zinc/50/14/11/589501411.db2.gz RJMBLOJEXUNELF-SNVBAGLBSA-N 1 2 247.342 3.151 20 0 BGADLO CCC(C)(C)c1noc(Cc2c[nH+]ccc2C)n1 ZINC000867169183 587827474 /nfs/dbraw/zinc/82/74/74/587827474.db2.gz HUAGKLKAAGVXOK-UHFFFAOYSA-N 1 2 245.326 3.051 20 0 BGADLO CCC(C)(C)c1noc(Cc2ccc(C)[nH+]c2)n1 ZINC000867176613 587833999 /nfs/dbraw/zinc/83/39/99/587833999.db2.gz YRROSKHPIOIFMH-UHFFFAOYSA-N 1 2 245.326 3.051 20 0 BGADLO FC(F)Cn1cc[nH+]c1CSC1CCCC1 ZINC000871631748 589780326 /nfs/dbraw/zinc/78/03/26/589780326.db2.gz KOJKVXZOSIMIJO-UHFFFAOYSA-N 1 2 246.326 3.324 20 0 BGADLO CC(C)CSCc1[nH+]ccn1CC(F)F ZINC000871632068 589779912 /nfs/dbraw/zinc/77/99/12/589779912.db2.gz QHXOHPHQCCQGBY-UHFFFAOYSA-N 1 2 234.315 3.037 20 0 BGADLO CC(C)[C@@H](C)SCc1[nH+]ccn1CC(F)F ZINC000871655283 589783338 /nfs/dbraw/zinc/78/33/38/589783338.db2.gz OKOYJNSRNAHGNF-SECBINFHSA-N 1 2 248.342 3.426 20 0 BGADLO CC(C)[C@H](C)SCc1[nH+]ccn1CC(F)F ZINC000871655286 589783417 /nfs/dbraw/zinc/78/34/17/589783417.db2.gz OKOYJNSRNAHGNF-VIFPVBQESA-N 1 2 248.342 3.426 20 0 BGADLO CC[C@@H](C)CSCc1[nH+]ccn1CC(F)F ZINC000871657792 589784160 /nfs/dbraw/zinc/78/41/60/589784160.db2.gz JOBQCQYFMMHYDX-SECBINFHSA-N 1 2 248.342 3.428 20 0 BGADLO CC[C@H](C)CSCc1[nH+]ccn1CC(F)F ZINC000871657793 589784458 /nfs/dbraw/zinc/78/44/58/589784458.db2.gz JOBQCQYFMMHYDX-VIFPVBQESA-N 1 2 248.342 3.428 20 0 BGADLO CC(C)=CCSCc1[nH+]ccn1CC(F)F ZINC000871668628 589786895 /nfs/dbraw/zinc/78/68/95/589786895.db2.gz RTGGYSRVICXVFD-UHFFFAOYSA-N 1 2 246.326 3.348 20 0 BGADLO CC(C)(C)CSCc1[nH+]ccn1CC(F)F ZINC000871670533 589787619 /nfs/dbraw/zinc/78/76/19/589787619.db2.gz YECDCGHKEZVJNG-UHFFFAOYSA-N 1 2 248.342 3.428 20 0 BGADLO CC(C)(C)c1cn(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c[nH+]1 ZINC000871680590 589789902 /nfs/dbraw/zinc/78/99/02/589789902.db2.gz DEXXIJDKKHEUOW-AVGNSLFASA-N 1 2 248.370 3.138 20 0 BGADLO CC(C)(C)c1cn(C[C@@H]2C[C@H]3CCC[C@H]3O2)c[nH+]1 ZINC000871680591 589789848 /nfs/dbraw/zinc/78/98/48/589789848.db2.gz DEXXIJDKKHEUOW-FRRDWIJNSA-N 1 2 248.370 3.138 20 0 BGADLO CC(C)(C)c1cn(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c[nH+]1 ZINC000871680592 589789752 /nfs/dbraw/zinc/78/97/52/589789752.db2.gz DEXXIJDKKHEUOW-RWMBFGLXSA-N 1 2 248.370 3.138 20 0 BGADLO CC(C)(C)c1cn(C[C@H]2CC3(CCC3)CO2)c[nH+]1 ZINC000871680614 589789977 /nfs/dbraw/zinc/78/99/77/589789977.db2.gz FALCSMBIXNJHQH-GFCCVEGCSA-N 1 2 248.370 3.140 20 0 BGADLO CC(C)(C)c1cn(C[C@@H]2CC3(CCC3)CO2)c[nH+]1 ZINC000871680615 589789622 /nfs/dbraw/zinc/78/96/22/589789622.db2.gz FALCSMBIXNJHQH-LBPRGKRZSA-N 1 2 248.370 3.140 20 0 BGADLO CCCCSCc1[nH+]ccn1CC(F)F ZINC000871696996 589793361 /nfs/dbraw/zinc/79/33/61/589793361.db2.gz RQRUDGKKMRNKQG-UHFFFAOYSA-N 1 2 234.315 3.182 20 0 BGADLO CC(C)CCSCc1[nH+]ccn1CC(F)F ZINC000871697430 589793587 /nfs/dbraw/zinc/79/35/87/589793587.db2.gz XNHOQXPQIWWEJF-UHFFFAOYSA-N 1 2 248.342 3.428 20 0 BGADLO FC(F)Cn1cc[nH+]c1CSCC1CCC1 ZINC000871699324 589793936 /nfs/dbraw/zinc/79/39/36/589793936.db2.gz ZBULPIDJPDLKFX-UHFFFAOYSA-N 1 2 246.326 3.182 20 0 BGADLO Cc1conc1CSCc1ccc(C)[nH+]c1C ZINC000871701909 589794816 /nfs/dbraw/zinc/79/48/16/589794816.db2.gz XVPPYPDRQUZEFU-UHFFFAOYSA-N 1 2 248.351 3.428 20 0 BGADLO Cc1conc1CSCCc1cccc(C)[nH+]1 ZINC000871714300 589797120 /nfs/dbraw/zinc/79/71/20/589797120.db2.gz PWMHGHUORNPTNG-UHFFFAOYSA-N 1 2 248.351 3.162 20 0 BGADLO c1cc(OCC2CC3(CCC3)C2)cc[nH+]1 ZINC000871744943 589803827 /nfs/dbraw/zinc/80/38/27/589803827.db2.gz ALEHAIAVYXCNGR-UHFFFAOYSA-N 1 2 203.285 3.041 20 0 BGADLO CC(C)(C)SCCCOc1cc[nH+]cc1 ZINC000871746241 589803916 /nfs/dbraw/zinc/80/39/16/589803916.db2.gz PKUKBXFQXMGMPS-UHFFFAOYSA-N 1 2 225.357 3.382 20 0 BGADLO CCOc1cc(C)ccc1[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000871818066 589821094 /nfs/dbraw/zinc/82/10/94/589821094.db2.gz LJKSVBUOVNPDNE-BETUJISGSA-N 1 2 249.354 3.231 20 0 BGADLO CCOc1ccc([NH2+]C[C@H]2C[C@@H](OC)C2)c(C)c1 ZINC000871818716 589820737 /nfs/dbraw/zinc/82/07/37/589820737.db2.gz GTBPGVQKUCCZEP-XBXGTLAGSA-N 1 2 249.354 3.231 20 0 BGADLO COc1cc(C)c([NH2+]C[C@H]2C[C@@H](OC)C2)cc1C ZINC000871834035 589822378 /nfs/dbraw/zinc/82/23/78/589822378.db2.gz ZYHOEKBZOJPJKX-BETUJISGSA-N 1 2 249.354 3.149 20 0 BGADLO C=COc1ccc([NH2+]C[C@H]2C[C@@H](OC)C2)cc1 ZINC000871839900 589823680 /nfs/dbraw/zinc/82/36/80/589823680.db2.gz XKHNRYYGPMWPAN-VDISTLRHSA-N 1 2 233.311 3.046 20 0 BGADLO COc1cc(C)c(C)cc1[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000871840942 589823322 /nfs/dbraw/zinc/82/33/22/589823322.db2.gz QXTIKLOTYXQYMN-BETUJISGSA-N 1 2 249.354 3.149 20 0 BGADLO Cc1ccncc1-c1ccc(N(C)C(C)C)[nH+]c1 ZINC000871889626 589829704 /nfs/dbraw/zinc/82/97/04/589829704.db2.gz KGUQTLAWHBCGJU-UHFFFAOYSA-N 1 2 241.338 3.297 20 0 BGADLO Cc1ccncc1-c1ccc(NC(C)C)[nH+]c1 ZINC000871890200 589827612 /nfs/dbraw/zinc/82/76/12/589827612.db2.gz RYYVEJSNCVZAAU-UHFFFAOYSA-N 1 2 227.311 3.272 20 0 BGADLO CC[C@H]([NH2+]c1ccc(OC)cc1)[C@@H]1CCCOC1 ZINC000872054772 589862278 /nfs/dbraw/zinc/86/22/78/589862278.db2.gz AVSUIQIARCAHLL-DOMZBBRYSA-N 1 2 249.354 3.312 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(OC)cc1)[C@@H]1CCCOC1 ZINC000872054773 589862261 /nfs/dbraw/zinc/86/22/61/589862261.db2.gz AVSUIQIARCAHLL-IUODEOHRSA-N 1 2 249.354 3.312 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(OC)cc1)[C@H]1CCCOC1 ZINC000872054774 589861985 /nfs/dbraw/zinc/86/19/85/589861985.db2.gz AVSUIQIARCAHLL-SWLSCSKDSA-N 1 2 249.354 3.312 20 0 BGADLO CC[C@H]([NH2+]c1ccc(OC)cc1)[C@H]1CCCOC1 ZINC000872054775 589861782 /nfs/dbraw/zinc/86/17/82/589861782.db2.gz AVSUIQIARCAHLL-WFASDCNBSA-N 1 2 249.354 3.312 20 0 BGADLO CC[C@@H](Nc1ccc(C)[nH+]c1)[C@H]1CCCOC1 ZINC000872056541 589862168 /nfs/dbraw/zinc/86/21/68/589862168.db2.gz SIUZKTTTYNDICW-GXTWGEPZSA-N 1 2 234.343 3.007 20 0 BGADLO CC[C@H](Nc1ccc(C)[nH+]c1)[C@H]1CCCOC1 ZINC000872056543 589862135 /nfs/dbraw/zinc/86/21/35/589862135.db2.gz SIUZKTTTYNDICW-JSGCOSHPSA-N 1 2 234.343 3.007 20 0 BGADLO CC[C@H](Nc1ccc(C)[nH+]c1)[C@@H]1CCCOC1 ZINC000872056544 583944954 /nfs/dbraw/zinc/94/49/54/583944954.db2.gz SIUZKTTTYNDICW-OCCSQVGLSA-N 1 2 234.343 3.007 20 0 BGADLO CC[C@@H](Nc1ccc(C)[nH+]c1)[C@@H]1CCCOC1 ZINC000872056558 583944783 /nfs/dbraw/zinc/94/47/83/583944783.db2.gz SIUZKTTTYNDICW-TZMCWYRMSA-N 1 2 234.343 3.007 20 0 BGADLO Cc1[nH+]cccc1N[C@@H]1CCOC2(CCCC2)C1 ZINC000872057710 589862244 /nfs/dbraw/zinc/86/22/44/589862244.db2.gz GYHDIVZKJPXIFJ-CYBMUJFWSA-N 1 2 246.354 3.294 20 0 BGADLO Cc1[nH+]cccc1N[C@H]1CCOC2(CCCC2)C1 ZINC000872057711 589862039 /nfs/dbraw/zinc/86/20/39/589862039.db2.gz GYHDIVZKJPXIFJ-ZDUSSCGKSA-N 1 2 246.354 3.294 20 0 BGADLO Cc1ccoc1C[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872072033 589864037 /nfs/dbraw/zinc/86/40/37/589864037.db2.gz CFZDGPVMZZWULL-JTQLQIEISA-N 1 2 249.285 3.284 20 0 BGADLO Cc1ccoc1C[NH2+][C@H](C)c1cccc(O)c1F ZINC000872072034 589864200 /nfs/dbraw/zinc/86/42/00/589864200.db2.gz CFZDGPVMZZWULL-SNVBAGLBSA-N 1 2 249.285 3.284 20 0 BGADLO Cc1ccoc1C[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872074608 589865172 /nfs/dbraw/zinc/86/51/72/589865172.db2.gz YQMCVIGVCCRFIQ-JTQLQIEISA-N 1 2 249.285 3.284 20 0 BGADLO Cc1ccoc1C[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872074609 589865044 /nfs/dbraw/zinc/86/50/44/589865044.db2.gz YQMCVIGVCCRFIQ-SNVBAGLBSA-N 1 2 249.285 3.284 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2F)o1 ZINC000872090346 589868209 /nfs/dbraw/zinc/86/82/09/589868209.db2.gz BCYOHTIASAYDSD-JTQLQIEISA-N 1 2 249.285 3.284 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)c2cccc(O)c2F)o1 ZINC000872090347 589868173 /nfs/dbraw/zinc/86/81/73/589868173.db2.gz BCYOHTIASAYDSD-SNVBAGLBSA-N 1 2 249.285 3.284 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)c2cc(O)ccc2F)o1 ZINC000872091186 589868702 /nfs/dbraw/zinc/86/87/02/589868702.db2.gz GPPCSHLFQOYOFU-JTQLQIEISA-N 1 2 249.285 3.284 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)c2cc(O)ccc2F)o1 ZINC000872091187 589868525 /nfs/dbraw/zinc/86/85/25/589868525.db2.gz GPPCSHLFQOYOFU-SNVBAGLBSA-N 1 2 249.285 3.284 20 0 BGADLO C[C@@H](O)c1ccc(NCCC[C@@H]2C=CCC2)[nH+]c1 ZINC000872694480 589961852 /nfs/dbraw/zinc/96/18/52/589961852.db2.gz RYCPLYLMKSDHMK-CHWSQXEVSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@@H](O)c1ccc(NCCC[C@H]2C=CCC2)[nH+]c1 ZINC000872694481 589961618 /nfs/dbraw/zinc/96/16/18/589961618.db2.gz RYCPLYLMKSDHMK-OLZOCXBDSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@H](O)c1ccc(NCCC[C@@H]2C=CCC2)[nH+]c1 ZINC000872694482 589961994 /nfs/dbraw/zinc/96/19/94/589961994.db2.gz RYCPLYLMKSDHMK-QWHCGFSZSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@H](O)c1ccc(NCCC[C@H]2C=CCC2)[nH+]c1 ZINC000872694483 589961960 /nfs/dbraw/zinc/96/19/60/589961960.db2.gz RYCPLYLMKSDHMK-STQMWFEESA-N 1 2 246.354 3.293 20 0 BGADLO c1ccc(NC2CC(Nc3cccc[nH+]3)C2)cc1 ZINC000872772354 589967787 /nfs/dbraw/zinc/96/77/87/589967787.db2.gz MRGAVSBYZKBIFG-UHFFFAOYSA-N 1 2 239.322 3.137 20 0 BGADLO Cc1cc(N[C@@H]2CC23CCC3)nc(C2CC2)[nH+]1 ZINC000872775736 589968539 /nfs/dbraw/zinc/96/85/39/589968539.db2.gz YFZPEHCMNSSWKE-LLVKDONJSA-N 1 2 229.327 3.017 20 0 BGADLO Cc1cc(N[C@H]2CC23CCC3)nc(C2CC2)[nH+]1 ZINC000872775737 589968379 /nfs/dbraw/zinc/96/83/79/589968379.db2.gz YFZPEHCMNSSWKE-NSHDSACASA-N 1 2 229.327 3.017 20 0 BGADLO CC(C)c1nc(NC2(C)CC(F)(F)C2)cc[nH+]1 ZINC000872778681 589969428 /nfs/dbraw/zinc/96/94/28/589969428.db2.gz HTSDLKAMWDHRJA-UHFFFAOYSA-N 1 2 241.285 3.200 20 0 BGADLO CCOc1cccc(F)c1C[NH2+]Cc1ccco1 ZINC000873007129 589979297 /nfs/dbraw/zinc/97/92/97/589979297.db2.gz HLRQHCOLGHAKCU-UHFFFAOYSA-N 1 2 249.285 3.107 20 0 BGADLO CCOc1cccc(F)c1C[NH2+]Cc1ccoc1 ZINC000873020023 589980005 /nfs/dbraw/zinc/98/00/05/589980005.db2.gz BIYLFZDVJJNNPB-UHFFFAOYSA-N 1 2 249.285 3.107 20 0 BGADLO FC(F)C1([NH2+]Cc2cccc3ncccc23)CC1 ZINC000873121299 589984922 /nfs/dbraw/zinc/98/49/22/589984922.db2.gz FCGVTCXIAPDYOF-UHFFFAOYSA-N 1 2 248.276 3.122 20 0 BGADLO CCC[C@@H](CC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000874460907 590112563 /nfs/dbraw/zinc/11/25/63/590112563.db2.gz ACZZTUWXMPXBFQ-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CCC[C@H](CC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000874460908 590112513 /nfs/dbraw/zinc/11/25/13/590112513.db2.gz ACZZTUWXMPXBFQ-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO CCC[C@@H](CC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000875366010 590163169 /nfs/dbraw/zinc/16/31/69/590163169.db2.gz DPIFMYGSMRJRKM-LLVKDONJSA-N 1 2 245.326 3.099 20 0 BGADLO CCC[C@H](CC)C(=O)Nc1cccc2[nH+]ccn21 ZINC000875366011 590163101 /nfs/dbraw/zinc/16/31/01/590163101.db2.gz DPIFMYGSMRJRKM-NSHDSACASA-N 1 2 245.326 3.099 20 0 BGADLO Cc1ccc(NC(=O)[C@]23C[C@H]2CCCC3)c(C)[nH+]1 ZINC000875435333 590163826 /nfs/dbraw/zinc/16/38/26/590163826.db2.gz VFRSMNOIIYHBRL-IUODEOHRSA-N 1 2 244.338 3.217 20 0 BGADLO Cc1ccc(NC(=O)[C@@]23C[C@@H]2CCCC3)c(C)[nH+]1 ZINC000875435335 590163728 /nfs/dbraw/zinc/16/37/28/590163728.db2.gz VFRSMNOIIYHBRL-WFASDCNBSA-N 1 2 244.338 3.217 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000875693279 590168446 /nfs/dbraw/zinc/16/84/46/590168446.db2.gz RHHFEPNAWXPUFI-VXGBXAGGSA-N 1 2 246.354 3.319 20 0 BGADLO CCC[C@@H](CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000875693792 590168349 /nfs/dbraw/zinc/16/83/49/590168349.db2.gz YKHCCGILQVCMHT-GFCCVEGCSA-N 1 2 234.343 3.463 20 0 BGADLO CCC[C@H](CC)C(=O)Nc1c(C)cc[nH+]c1C ZINC000875693793 590168285 /nfs/dbraw/zinc/16/82/85/590168285.db2.gz YKHCCGILQVCMHT-LBPRGKRZSA-N 1 2 234.343 3.463 20 0 BGADLO CC[NH+](CC)Cc1c(Cl)cncc1Cl ZINC000876522773 590208126 /nfs/dbraw/zinc/20/81/26/590208126.db2.gz BMTPGMUVBWARNS-UHFFFAOYSA-N 1 2 233.142 3.230 20 0 BGADLO Clc1csc(C[NH+]2CCCCCC2)n1 ZINC000876524405 590207697 /nfs/dbraw/zinc/20/76/97/590207697.db2.gz PMBDLJNXKAQCRK-UHFFFAOYSA-N 1 2 230.764 3.173 20 0 BGADLO C[C@@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876525275 590208415 /nfs/dbraw/zinc/20/84/15/590208415.db2.gz HUPXDKWTBLRZLE-MRVPVSSYSA-N 1 2 230.764 3.028 20 0 BGADLO C[C@@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876525275 590208413 /nfs/dbraw/zinc/20/84/13/590208413.db2.gz HUPXDKWTBLRZLE-MRVPVSSYSA-N 1 2 230.764 3.028 20 0 BGADLO C[C@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876525276 590208582 /nfs/dbraw/zinc/20/85/82/590208582.db2.gz HUPXDKWTBLRZLE-QMMMGPOBSA-N 1 2 230.764 3.028 20 0 BGADLO C[C@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876525276 590208580 /nfs/dbraw/zinc/20/85/80/590208580.db2.gz HUPXDKWTBLRZLE-QMMMGPOBSA-N 1 2 230.764 3.028 20 0 BGADLO C[C@@H]1CCCC[N@H+]1Cc1nc(Cl)cs1 ZINC000876527646 590209319 /nfs/dbraw/zinc/20/93/19/590209319.db2.gz JAEAKNXOOKDLBJ-MRVPVSSYSA-N 1 2 230.764 3.171 20 0 BGADLO C[C@@H]1CCCC[N@@H+]1Cc1nc(Cl)cs1 ZINC000876527646 590209318 /nfs/dbraw/zinc/20/93/18/590209318.db2.gz JAEAKNXOOKDLBJ-MRVPVSSYSA-N 1 2 230.764 3.171 20 0 BGADLO C[C@H]1CCCC[N@H+]1Cc1nc(Cl)cs1 ZINC000876527647 590209072 /nfs/dbraw/zinc/20/90/72/590209072.db2.gz JAEAKNXOOKDLBJ-QMMMGPOBSA-N 1 2 230.764 3.171 20 0 BGADLO C[C@H]1CCCC[N@@H+]1Cc1nc(Cl)cs1 ZINC000876527647 590209070 /nfs/dbraw/zinc/20/90/70/590209070.db2.gz JAEAKNXOOKDLBJ-QMMMGPOBSA-N 1 2 230.764 3.171 20 0 BGADLO CC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000876528385 590209406 /nfs/dbraw/zinc/20/94/06/590209406.db2.gz WRRQUIFOHZMQFC-UHFFFAOYSA-N 1 2 230.764 3.028 20 0 BGADLO CC(C)[N@@H+](C)Cc1c(Cl)cncc1Cl ZINC000876528432 590209217 /nfs/dbraw/zinc/20/92/17/590209217.db2.gz XTMCTJIWHJOBTE-UHFFFAOYSA-N 1 2 233.142 3.229 20 0 BGADLO CC(C)[N@H+](C)Cc1c(Cl)cncc1Cl ZINC000876528432 590209216 /nfs/dbraw/zinc/20/92/16/590209216.db2.gz XTMCTJIWHJOBTE-UHFFFAOYSA-N 1 2 233.142 3.229 20 0 BGADLO CCC[N@@H+](C)Cc1c(Cl)cncc1Cl ZINC000876564750 590216614 /nfs/dbraw/zinc/21/66/14/590216614.db2.gz USWCDMPOSLRWAW-UHFFFAOYSA-N 1 2 233.142 3.230 20 0 BGADLO CCC[N@H+](C)Cc1c(Cl)cncc1Cl ZINC000876564750 590216612 /nfs/dbraw/zinc/21/66/12/590216612.db2.gz USWCDMPOSLRWAW-UHFFFAOYSA-N 1 2 233.142 3.230 20 0 BGADLO CC[N@@H+](Cc1c(Cl)cncc1Cl)C1CC1 ZINC000876575431 590217398 /nfs/dbraw/zinc/21/73/98/590217398.db2.gz FDKYSGUJCFIVIR-UHFFFAOYSA-N 1 2 245.153 3.373 20 0 BGADLO CC[N@H+](Cc1c(Cl)cncc1Cl)C1CC1 ZINC000876575431 590217396 /nfs/dbraw/zinc/21/73/96/590217396.db2.gz FDKYSGUJCFIVIR-UHFFFAOYSA-N 1 2 245.153 3.373 20 0 BGADLO CC[C@@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876612947 590221780 /nfs/dbraw/zinc/22/17/80/590221780.db2.gz CIZYESVDEJDGEF-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876612947 590221778 /nfs/dbraw/zinc/22/17/78/590221778.db2.gz CIZYESVDEJDGEF-SECBINFHSA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@H]1CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876612948 590221859 /nfs/dbraw/zinc/22/18/59/590221859.db2.gz CIZYESVDEJDGEF-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@H]1CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876612948 590221858 /nfs/dbraw/zinc/22/18/58/590221858.db2.gz CIZYESVDEJDGEF-VIFPVBQESA-N 1 2 244.791 3.419 20 0 BGADLO CC1(C)CCC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876618954 590222577 /nfs/dbraw/zinc/22/25/77/590222577.db2.gz KCYAILHGZUVLGQ-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO CC1(C)CCC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876618954 590222575 /nfs/dbraw/zinc/22/25/75/590222575.db2.gz KCYAILHGZUVLGQ-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO C[N@H+](Cc1c(Cl)cncc1Cl)CC1CC1 ZINC000876621888 590222857 /nfs/dbraw/zinc/22/28/57/590222857.db2.gz LIWGJLHOIHTKCO-UHFFFAOYSA-N 1 2 245.153 3.230 20 0 BGADLO C[N@@H+](Cc1c(Cl)cncc1Cl)CC1CC1 ZINC000876621888 590222855 /nfs/dbraw/zinc/22/28/55/590222855.db2.gz LIWGJLHOIHTKCO-UHFFFAOYSA-N 1 2 245.153 3.230 20 0 BGADLO CCC1CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000876626029 590223786 /nfs/dbraw/zinc/22/37/86/590223786.db2.gz MDKXYMJJYNVJHR-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO CC1(C)CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000876681881 590229900 /nfs/dbraw/zinc/22/99/00/590229900.db2.gz BEQBAKSMEIRYQS-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO CSC(C)(C)CC[N@@H+](CC(F)F)C1CC1 ZINC000876715735 590232983 /nfs/dbraw/zinc/23/29/83/590232983.db2.gz RWYDCEGKSVVMJV-UHFFFAOYSA-N 1 2 237.359 3.248 20 0 BGADLO CSC(C)(C)CC[N@H+](CC(F)F)C1CC1 ZINC000876715735 590232982 /nfs/dbraw/zinc/23/29/82/590232982.db2.gz RWYDCEGKSVVMJV-UHFFFAOYSA-N 1 2 237.359 3.248 20 0 BGADLO Cc1c(Cl)cccc1C[N@@H+](C)Cc1cc[nH]n1 ZINC000876722428 590233131 /nfs/dbraw/zinc/23/31/31/590233131.db2.gz UPGCQEZVOTWZBU-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c(Cl)cccc1C[N@H+](C)Cc1cc[nH]n1 ZINC000876722428 590233130 /nfs/dbraw/zinc/23/31/30/590233130.db2.gz UPGCQEZVOTWZBU-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO CC1(C)CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876725128 590233481 /nfs/dbraw/zinc/23/34/81/590233481.db2.gz FNGQASVCVBLECD-UHFFFAOYSA-N 1 2 230.764 3.028 20 0 BGADLO CC1(C)CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876725128 590233479 /nfs/dbraw/zinc/23/34/79/590233479.db2.gz FNGQASVCVBLECD-UHFFFAOYSA-N 1 2 230.764 3.028 20 0 BGADLO Clc1csc(C[N@H+]2CCC3(CCC3)C2)n1 ZINC000876741611 590234936 /nfs/dbraw/zinc/23/49/36/590234936.db2.gz LAYYZCVKVPEWCY-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO Clc1csc(C[N@@H+]2CCC3(CCC3)C2)n1 ZINC000876741611 590234934 /nfs/dbraw/zinc/23/49/34/590234934.db2.gz LAYYZCVKVPEWCY-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO CC1(C)CC[N@H+]1Cc1c(Cl)cncc1Cl ZINC000876743238 590235816 /nfs/dbraw/zinc/23/58/16/590235816.db2.gz CWCSOQNSBOJQKQ-UHFFFAOYSA-N 1 2 245.153 3.373 20 0 BGADLO CC1(C)CC[N@@H+]1Cc1c(Cl)cncc1Cl ZINC000876743238 590235814 /nfs/dbraw/zinc/23/58/14/590235814.db2.gz CWCSOQNSBOJQKQ-UHFFFAOYSA-N 1 2 245.153 3.373 20 0 BGADLO C[N@@H+](Cc1c(Cl)cncc1Cl)C1CCC1 ZINC000876745314 590236476 /nfs/dbraw/zinc/23/64/76/590236476.db2.gz KCOGANMZLFZKHM-UHFFFAOYSA-N 1 2 245.153 3.373 20 0 BGADLO C[N@H+](Cc1c(Cl)cncc1Cl)C1CCC1 ZINC000876745314 590236475 /nfs/dbraw/zinc/23/64/75/590236475.db2.gz KCOGANMZLFZKHM-UHFFFAOYSA-N 1 2 245.153 3.373 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C[C@@H]1C ZINC000876745693 590236506 /nfs/dbraw/zinc/23/65/06/590236506.db2.gz JYSRTTBRLPOBBM-BDAKNGLRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C[C@@H]1C ZINC000876745693 590236505 /nfs/dbraw/zinc/23/65/05/590236505.db2.gz JYSRTTBRLPOBBM-BDAKNGLRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1CC[N@@H+](Cc2nc(Cl)cs2)C[C@H]1C ZINC000876745696 590235916 /nfs/dbraw/zinc/23/59/16/590235916.db2.gz JYSRTTBRLPOBBM-DTWKUNHWSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1CC[N@H+](Cc2nc(Cl)cs2)C[C@H]1C ZINC000876745696 590235914 /nfs/dbraw/zinc/23/59/14/590235914.db2.gz JYSRTTBRLPOBBM-DTWKUNHWSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1C[N@H+](Cc2nc(Cl)cs2)CC[C@@H]1C ZINC000876745697 590235973 /nfs/dbraw/zinc/23/59/73/590235973.db2.gz JYSRTTBRLPOBBM-IUCAKERBSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@H]1C[N@@H+](Cc2nc(Cl)cs2)CC[C@@H]1C ZINC000876745697 590235972 /nfs/dbraw/zinc/23/59/72/590235972.db2.gz JYSRTTBRLPOBBM-IUCAKERBSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)C[C@H]1C ZINC000876745699 590236279 /nfs/dbraw/zinc/23/62/79/590236279.db2.gz JYSRTTBRLPOBBM-RKDXNWHRSA-N 1 2 244.791 3.274 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)C[C@H]1C ZINC000876745699 590236276 /nfs/dbraw/zinc/23/62/76/590236276.db2.gz JYSRTTBRLPOBBM-RKDXNWHRSA-N 1 2 244.791 3.274 20 0 BGADLO CC[C@]1(C)CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876779628 590240578 /nfs/dbraw/zinc/24/05/78/590240578.db2.gz ALXFKFLWHMRYBL-LLVKDONJSA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@]1(C)CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876779628 590240576 /nfs/dbraw/zinc/24/05/76/590240576.db2.gz ALXFKFLWHMRYBL-LLVKDONJSA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@@]1(C)CC[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000876779629 590240419 /nfs/dbraw/zinc/24/04/19/590240419.db2.gz ALXFKFLWHMRYBL-NSHDSACASA-N 1 2 244.791 3.419 20 0 BGADLO CC[C@@]1(C)CC[N@H+](Cc2nc(Cl)cs2)C1 ZINC000876779629 590240417 /nfs/dbraw/zinc/24/04/17/590240417.db2.gz ALXFKFLWHMRYBL-NSHDSACASA-N 1 2 244.791 3.419 20 0 BGADLO Clc1cncc(Cl)c1C[NH+]1CCCCC1 ZINC000876817179 590246021 /nfs/dbraw/zinc/24/60/21/590246021.db2.gz AFSSRFYJPDXEOJ-UHFFFAOYSA-N 1 2 245.153 3.374 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+]CCC[C@H]1CCO1 ZINC000876817528 590245747 /nfs/dbraw/zinc/24/57/47/590245747.db2.gz ACCNZWXNGDZIHV-AWEZNQCLSA-N 1 2 248.370 3.042 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCCC[C@H]1CCO1 ZINC000876817528 590245745 /nfs/dbraw/zinc/24/57/45/590245745.db2.gz ACCNZWXNGDZIHV-AWEZNQCLSA-N 1 2 248.370 3.042 20 0 BGADLO Cc1cc(N(C)C)ccc1[NH2+]CCC[C@@H]1CCO1 ZINC000876817529 590245846 /nfs/dbraw/zinc/24/58/46/590245846.db2.gz ACCNZWXNGDZIHV-CQSZACIVSA-N 1 2 248.370 3.042 20 0 BGADLO Cc1cc([NH+](C)C)ccc1NCCC[C@@H]1CCO1 ZINC000876817529 590245845 /nfs/dbraw/zinc/24/58/45/590245845.db2.gz ACCNZWXNGDZIHV-CQSZACIVSA-N 1 2 248.370 3.042 20 0 BGADLO CCOc1ccc([NH2+]CCC[C@@H]2CCO2)cc1 ZINC000876818562 590245784 /nfs/dbraw/zinc/24/57/84/590245784.db2.gz VUGSIVJEVMUOMW-CYBMUJFWSA-N 1 2 235.327 3.066 20 0 BGADLO CCOc1ccc([NH2+]CCC[C@H]2CCO2)cc1 ZINC000876818563 590246100 /nfs/dbraw/zinc/24/61/00/590246100.db2.gz VUGSIVJEVMUOMW-ZDUSSCGKSA-N 1 2 235.327 3.066 20 0 BGADLO CCOc1ccc([NH2+]CCC[C@@H]2CCO2)c(C)c1 ZINC000876819669 590246113 /nfs/dbraw/zinc/24/61/13/590246113.db2.gz LNFZQTIXYOWTMD-CYBMUJFWSA-N 1 2 249.354 3.375 20 0 BGADLO CCOc1ccc([NH2+]CCC[C@H]2CCO2)c(C)c1 ZINC000876819670 590245874 /nfs/dbraw/zinc/24/58/74/590245874.db2.gz LNFZQTIXYOWTMD-ZDUSSCGKSA-N 1 2 249.354 3.375 20 0 BGADLO CC(C)Oc1ccc([NH2+]CCC[C@H]2CCO2)cc1 ZINC000876820876 590245991 /nfs/dbraw/zinc/24/59/91/590245991.db2.gz ZUFDRVBACSGROP-AWEZNQCLSA-N 1 2 249.354 3.455 20 0 BGADLO CC(C)Oc1ccc([NH2+]CCC[C@@H]2CCO2)cc1 ZINC000876820877 590245904 /nfs/dbraw/zinc/24/59/04/590245904.db2.gz ZUFDRVBACSGROP-CQSZACIVSA-N 1 2 249.354 3.455 20 0 BGADLO Cc1cc(NCc2ccns2)ccc1[NH+](C)C ZINC000876844439 590248775 /nfs/dbraw/zinc/24/87/75/590248775.db2.gz AJCOOPWVIOGKFN-UHFFFAOYSA-N 1 2 247.367 3.130 20 0 BGADLO Cc1cc(NCCC[C@H]2CCO2)ccc1[NH+](C)C ZINC000876844908 590248755 /nfs/dbraw/zinc/24/87/55/590248755.db2.gz LGCDXBNBOQATSH-AWEZNQCLSA-N 1 2 248.370 3.042 20 0 BGADLO Cc1cc([NH2+]CCC[C@H]2CCO2)ccc1N(C)C ZINC000876844908 590248754 /nfs/dbraw/zinc/24/87/54/590248754.db2.gz LGCDXBNBOQATSH-AWEZNQCLSA-N 1 2 248.370 3.042 20 0 BGADLO Cc1cc(NCCC[C@@H]2CCO2)ccc1[NH+](C)C ZINC000876844909 590248925 /nfs/dbraw/zinc/24/89/25/590248925.db2.gz LGCDXBNBOQATSH-CQSZACIVSA-N 1 2 248.370 3.042 20 0 BGADLO Cc1cc([NH2+]CCC[C@@H]2CCO2)ccc1N(C)C ZINC000876844909 590248923 /nfs/dbraw/zinc/24/89/23/590248923.db2.gz LGCDXBNBOQATSH-CQSZACIVSA-N 1 2 248.370 3.042 20 0 BGADLO COc1ccc([NH2+]CC2(C(C)C)CC2)cc1CO ZINC000876850394 590249481 /nfs/dbraw/zinc/24/94/81/590249481.db2.gz QFBCGJYOBHIIFA-UHFFFAOYSA-N 1 2 249.354 3.036 20 0 BGADLO COc1ccc([NH2+]CC2(C)CCCC2)cc1CO ZINC000876850486 590249551 /nfs/dbraw/zinc/24/95/51/590249551.db2.gz TWIFKXHPWQWXNH-UHFFFAOYSA-N 1 2 249.354 3.180 20 0 BGADLO CC1(C[NH2+]c2ccc(OCCO)cc2)CCCC1 ZINC000876858613 590250639 /nfs/dbraw/zinc/25/06/39/590250639.db2.gz UMXZDELPYKNUSC-UHFFFAOYSA-N 1 2 249.354 3.050 20 0 BGADLO CC(C)[C@H]1CC[N@H+]1Cc1nc(Cl)cs1 ZINC000876878521 590252544 /nfs/dbraw/zinc/25/25/44/590252544.db2.gz FMAFTFMJTPYKOW-MRVPVSSYSA-N 1 2 230.764 3.027 20 0 BGADLO CC(C)[C@H]1CC[N@@H+]1Cc1nc(Cl)cs1 ZINC000876878521 590252543 /nfs/dbraw/zinc/25/25/43/590252543.db2.gz FMAFTFMJTPYKOW-MRVPVSSYSA-N 1 2 230.764 3.027 20 0 BGADLO CC(C)[C@@H]1CC[N@H+]1Cc1nc(Cl)cs1 ZINC000876878522 590252283 /nfs/dbraw/zinc/25/22/83/590252283.db2.gz FMAFTFMJTPYKOW-QMMMGPOBSA-N 1 2 230.764 3.027 20 0 BGADLO CC(C)[C@@H]1CC[N@@H+]1Cc1nc(Cl)cs1 ZINC000876878522 590252281 /nfs/dbraw/zinc/25/22/81/590252281.db2.gz FMAFTFMJTPYKOW-QMMMGPOBSA-N 1 2 230.764 3.027 20 0 BGADLO CC(C)[C@H]1CC[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000876879893 590253032 /nfs/dbraw/zinc/25/30/32/590253032.db2.gz WSNAWMQPXJBIIM-LLVKDONJSA-N 1 2 242.725 3.104 20 0 BGADLO CC(C)[C@H]1CC[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000876879893 590253030 /nfs/dbraw/zinc/25/30/30/590253030.db2.gz WSNAWMQPXJBIIM-LLVKDONJSA-N 1 2 242.725 3.104 20 0 BGADLO CC(C)[C@@H]1CC[N@H+]1Cc1cnc(Cl)c(F)c1 ZINC000876879895 590253168 /nfs/dbraw/zinc/25/31/68/590253168.db2.gz WSNAWMQPXJBIIM-NSHDSACASA-N 1 2 242.725 3.104 20 0 BGADLO CC(C)[C@@H]1CC[N@@H+]1Cc1cnc(Cl)c(F)c1 ZINC000876879895 590253167 /nfs/dbraw/zinc/25/31/67/590253167.db2.gz WSNAWMQPXJBIIM-NSHDSACASA-N 1 2 242.725 3.104 20 0 BGADLO CSC(C)(C)CCNc1cccc[nH+]1 ZINC000876951997 590260547 /nfs/dbraw/zinc/26/05/47/590260547.db2.gz IWTDXNZUKJIAQB-UHFFFAOYSA-N 1 2 210.346 3.025 20 0 BGADLO COc1ccc(NCCC(C)(C)SC)[nH+]c1 ZINC000877093532 590281376 /nfs/dbraw/zinc/28/13/76/590281376.db2.gz CDJAJXKGLNYBRU-UHFFFAOYSA-N 1 2 240.372 3.034 20 0 BGADLO CCCOc1ccc([NH2+]CCC[C@H]2CCO2)cc1 ZINC000877120132 590289096 /nfs/dbraw/zinc/28/90/96/590289096.db2.gz CTFDSIKPONHVDB-AWEZNQCLSA-N 1 2 249.354 3.456 20 0 BGADLO CCCOc1ccc([NH2+]CCC[C@@H]2CCO2)cc1 ZINC000877120134 590288906 /nfs/dbraw/zinc/28/89/06/590288906.db2.gz CTFDSIKPONHVDB-CQSZACIVSA-N 1 2 249.354 3.456 20 0 BGADLO COc1ccc[nH+]c1NCCC(C)(C)SC ZINC000877128893 590290021 /nfs/dbraw/zinc/29/00/21/590290021.db2.gz XTJRTDZAIFTLPL-UHFFFAOYSA-N 1 2 240.372 3.034 20 0 BGADLO Clc1cncc(Cl)c1C[N@@H+]1CC=CCC1 ZINC000877167674 590295287 /nfs/dbraw/zinc/29/52/87/590295287.db2.gz GLGQVVOVMVBTHF-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO Clc1cncc(Cl)c1C[N@H+]1CC=CCC1 ZINC000877167674 590295286 /nfs/dbraw/zinc/29/52/86/590295286.db2.gz GLGQVVOVMVBTHF-UHFFFAOYSA-N 1 2 243.137 3.150 20 0 BGADLO Cc1ccc([N@@H+](C)CCC[C@H]2CCO2)cc1 ZINC000877180653 590298274 /nfs/dbraw/zinc/29/82/74/590298274.db2.gz RZIUWOZYLSUSQS-AWEZNQCLSA-N 1 2 219.328 3.000 20 0 BGADLO Cc1ccc([N@H+](C)CCC[C@H]2CCO2)cc1 ZINC000877180653 590298272 /nfs/dbraw/zinc/29/82/72/590298272.db2.gz RZIUWOZYLSUSQS-AWEZNQCLSA-N 1 2 219.328 3.000 20 0 BGADLO Cc1ccc([N@@H+](C)CCC[C@@H]2CCO2)cc1 ZINC000877180654 590298063 /nfs/dbraw/zinc/29/80/63/590298063.db2.gz RZIUWOZYLSUSQS-CQSZACIVSA-N 1 2 219.328 3.000 20 0 BGADLO Cc1ccc([N@H+](C)CCC[C@@H]2CCO2)cc1 ZINC000877180654 590298062 /nfs/dbraw/zinc/29/80/62/590298062.db2.gz RZIUWOZYLSUSQS-CQSZACIVSA-N 1 2 219.328 3.000 20 0 BGADLO Cc1ccc([N@@H+](C)CCC[C@H]2CCO2)c(C)c1 ZINC000877180880 590297914 /nfs/dbraw/zinc/29/79/14/590297914.db2.gz YWBJIPZGXJIHIA-AWEZNQCLSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1ccc([N@H+](C)CCC[C@H]2CCO2)c(C)c1 ZINC000877180880 590297912 /nfs/dbraw/zinc/29/79/12/590297912.db2.gz YWBJIPZGXJIHIA-AWEZNQCLSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1ccc([N@@H+](C)CCC[C@@H]2CCO2)c(C)c1 ZINC000877180881 590298295 /nfs/dbraw/zinc/29/82/95/590298295.db2.gz YWBJIPZGXJIHIA-CQSZACIVSA-N 1 2 233.355 3.309 20 0 BGADLO Cc1ccc([N@H+](C)CCC[C@@H]2CCO2)c(C)c1 ZINC000877180881 590298294 /nfs/dbraw/zinc/29/82/94/590298294.db2.gz YWBJIPZGXJIHIA-CQSZACIVSA-N 1 2 233.355 3.309 20 0 BGADLO CC[N@@H+](CCC(C)(C)SC)CC(F)F ZINC000877331568 590318019 /nfs/dbraw/zinc/31/80/19/590318019.db2.gz RPINAQVMJSZUTA-UHFFFAOYSA-N 1 2 225.348 3.105 20 0 BGADLO CC[N@H+](CCC(C)(C)SC)CC(F)F ZINC000877331568 590318017 /nfs/dbraw/zinc/31/80/17/590318017.db2.gz RPINAQVMJSZUTA-UHFFFAOYSA-N 1 2 225.348 3.105 20 0 BGADLO Clc1csc(C[N@H+]2CCCC3(CC3)C2)n1 ZINC000877405809 590324140 /nfs/dbraw/zinc/32/41/40/590324140.db2.gz NHNNIKIKXXCKLG-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO Clc1csc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000877405809 590324138 /nfs/dbraw/zinc/32/41/38/590324138.db2.gz NHNNIKIKXXCKLG-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO CC[C@H]([NH2+]CCC(C)(C)SC)C(F)(F)F ZINC000877467505 590334139 /nfs/dbraw/zinc/33/41/39/590334139.db2.gz IQCZDQRHIATAHH-QMMMGPOBSA-N 1 2 243.338 3.449 20 0 BGADLO COc1cc(C)c([NH2+]CCC[C@@H]2CCO2)cc1C ZINC000877480042 590336524 /nfs/dbraw/zinc/33/65/24/590336524.db2.gz INUXOJKMATVLKR-CYBMUJFWSA-N 1 2 249.354 3.293 20 0 BGADLO COc1cc(C)c([NH2+]CCC[C@H]2CCO2)cc1C ZINC000877480046 590337401 /nfs/dbraw/zinc/33/74/01/590337401.db2.gz INUXOJKMATVLKR-ZDUSSCGKSA-N 1 2 249.354 3.293 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1c(Cl)cncc1Cl ZINC000877486527 590338798 /nfs/dbraw/zinc/33/87/98/590338798.db2.gz JXHGQAUPWCGDHX-HTQZYQBOSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1c(Cl)cncc1Cl ZINC000877486528 590339326 /nfs/dbraw/zinc/33/93/26/590339326.db2.gz JXHGQAUPWCGDHX-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1c(Cl)cncc1Cl ZINC000877486528 590339323 /nfs/dbraw/zinc/33/93/23/590339323.db2.gz JXHGQAUPWCGDHX-OCAPTIKFSA-N 1 2 245.153 3.371 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1c(Cl)cncc1Cl ZINC000877486529 590338759 /nfs/dbraw/zinc/33/87/59/590338759.db2.gz JXHGQAUPWCGDHX-YUMQZZPRSA-N 1 2 245.153 3.371 20 0 BGADLO CC1=C[C@@H](C)C[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877493194 590339936 /nfs/dbraw/zinc/33/99/36/590339936.db2.gz AIYCIXBKRMHDJZ-MRVPVSSYSA-N 1 2 242.775 3.195 20 0 BGADLO CC1=C[C@@H](C)C[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877493194 590339934 /nfs/dbraw/zinc/33/99/34/590339934.db2.gz AIYCIXBKRMHDJZ-MRVPVSSYSA-N 1 2 242.775 3.195 20 0 BGADLO CC1=C[C@H](C)C[N@@H+](Cc2nc(Cl)cs2)C1 ZINC000877493195 590340750 /nfs/dbraw/zinc/34/07/50/590340750.db2.gz AIYCIXBKRMHDJZ-QMMMGPOBSA-N 1 2 242.775 3.195 20 0 BGADLO CC1=C[C@H](C)C[N@H+](Cc2nc(Cl)cs2)C1 ZINC000877493195 590340747 /nfs/dbraw/zinc/34/07/47/590340747.db2.gz AIYCIXBKRMHDJZ-QMMMGPOBSA-N 1 2 242.775 3.195 20 0 BGADLO CC1=C(C)C[N@@H+](Cc2nc(Cl)cs2)CC1 ZINC000877494309 590340884 /nfs/dbraw/zinc/34/08/84/590340884.db2.gz JQLVPSRCUJVKDT-UHFFFAOYSA-N 1 2 242.775 3.339 20 0 BGADLO CC1=C(C)C[N@H+](Cc2nc(Cl)cs2)CC1 ZINC000877494309 590340883 /nfs/dbraw/zinc/34/08/83/590340883.db2.gz JQLVPSRCUJVKDT-UHFFFAOYSA-N 1 2 242.775 3.339 20 0 BGADLO CC[C@H]([NH2+]c1ccc(OCCCO)cc1)C1CC1 ZINC000877521457 590346211 /nfs/dbraw/zinc/34/62/11/590346211.db2.gz ZFTNPVWQUWDWKZ-HNNXBMFYSA-N 1 2 249.354 3.048 20 0 BGADLO CC[C@@H]([NH2+]c1ccc(OCCCO)cc1)C1CC1 ZINC000877521458 590345839 /nfs/dbraw/zinc/34/58/39/590345839.db2.gz ZFTNPVWQUWDWKZ-OAHLLOKOSA-N 1 2 249.354 3.048 20 0 BGADLO Clc1csc(C[NH+]2CC3(C2)CCCC3)n1 ZINC000877533738 590350340 /nfs/dbraw/zinc/35/03/40/590350340.db2.gz QZDWEKGHCSCAKY-UHFFFAOYSA-N 1 2 242.775 3.173 20 0 BGADLO CC(C)(C)c1csc(C[NH+]2CC3(CC3)C2)n1 ZINC000877556046 583329634 /nfs/dbraw/zinc/32/96/34/583329634.db2.gz JTBATANPPPZUTN-UHFFFAOYSA-N 1 2 236.384 3.036 20 0 BGADLO Clc1nccc2oc(C[NH+]3CC4(CC4)C3)cc21 ZINC000877556313 590357310 /nfs/dbraw/zinc/35/73/10/590357310.db2.gz PGUPBNMKKJSGEH-UHFFFAOYSA-N 1 2 248.713 3.077 20 0 BGADLO CCC1C[NH+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000877579361 590365016 /nfs/dbraw/zinc/36/50/16/590365016.db2.gz PXXSRYJYMYPKCF-UHFFFAOYSA-N 1 2 238.400 3.282 20 0 BGADLO CCC1(CC)C[NH+](Cc2nc(Cl)cs2)C1 ZINC000877579939 590365066 /nfs/dbraw/zinc/36/50/66/590365066.db2.gz JMNNWDGCPBZBKW-UHFFFAOYSA-N 1 2 244.791 3.419 20 0 BGADLO CC(C)(C)C1C[NH+](Cc2nc(Cl)cs2)C1 ZINC000877582119 590366167 /nfs/dbraw/zinc/36/61/67/590366167.db2.gz JJUFWEZRLYMJDI-UHFFFAOYSA-N 1 2 244.791 3.274 20 0 BGADLO CCC1(C)C[NH+](Cc2cnc(Cl)c(F)c2)C1 ZINC000877582415 590367068 /nfs/dbraw/zinc/36/70/68/590367068.db2.gz VFJIVZNZCYUKJV-UHFFFAOYSA-N 1 2 242.725 3.106 20 0 BGADLO C=COc1ccc([NH2+]CCC[C@@H]2CCO2)cc1 ZINC000877584027 590366586 /nfs/dbraw/zinc/36/65/86/590366586.db2.gz OCTDAXTVBLJLST-CYBMUJFWSA-N 1 2 233.311 3.190 20 0 BGADLO C=COc1ccc([NH2+]CCC[C@H]2CCO2)cc1 ZINC000877584028 590366675 /nfs/dbraw/zinc/36/66/75/590366675.db2.gz OCTDAXTVBLJLST-ZDUSSCGKSA-N 1 2 233.311 3.190 20 0 BGADLO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nc(Cl)cs1 ZINC000877590813 590368974 /nfs/dbraw/zinc/36/89/74/590368974.db2.gz HZJBCCFHIGBPGK-MRVPVSSYSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1nc(Cl)cs1 ZINC000877590813 590368971 /nfs/dbraw/zinc/36/89/71/590368971.db2.gz HZJBCCFHIGBPGK-MRVPVSSYSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC(C)(C)C[N@H+]1Cc1nc(Cl)cs1 ZINC000877590814 590369510 /nfs/dbraw/zinc/36/95/10/590369510.db2.gz HZJBCCFHIGBPGK-QMMMGPOBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@H]1CC(C)(C)C[N@@H+]1Cc1nc(Cl)cs1 ZINC000877590814 590369508 /nfs/dbraw/zinc/36/95/08/590369508.db2.gz HZJBCCFHIGBPGK-QMMMGPOBSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[N@@H+](Cc2nc(Cl)cs2)[C@H](C)C1 ZINC000877597239 590371272 /nfs/dbraw/zinc/37/12/72/590371272.db2.gz FEYVRPOHJRXJAU-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO C[C@@H]1CC[N@H+](Cc2nc(Cl)cs2)[C@H](C)C1 ZINC000877597239 590371270 /nfs/dbraw/zinc/37/12/70/590371270.db2.gz FEYVRPOHJRXJAU-RKDXNWHRSA-N 1 2 244.791 3.417 20 0 BGADLO Clc1csc(C[N@H+]2CCC23CCCC3)n1 ZINC000877609483 590372482 /nfs/dbraw/zinc/37/24/82/590372482.db2.gz LGODJXWHDFIIIO-UHFFFAOYSA-N 1 2 242.775 3.315 20 0 BGADLO Clc1csc(C[N@@H+]2CCC23CCCC3)n1 ZINC000877609483 590372480 /nfs/dbraw/zinc/37/24/80/590372480.db2.gz LGODJXWHDFIIIO-UHFFFAOYSA-N 1 2 242.775 3.315 20 0 BGADLO CSC(C)(C)CC[N@H+]1CCCC(F)(F)C1 ZINC000877611669 590372761 /nfs/dbraw/zinc/37/27/61/590372761.db2.gz XMOKPDPBUXRKBA-UHFFFAOYSA-N 1 2 237.359 3.249 20 0 BGADLO CSC(C)(C)CC[N@@H+]1CCCC(F)(F)C1 ZINC000877611669 590372760 /nfs/dbraw/zinc/37/27/60/590372760.db2.gz XMOKPDPBUXRKBA-UHFFFAOYSA-N 1 2 237.359 3.249 20 0 BGADLO CCc1cc[nH+]cc1NC[C@H]1CC1(Cl)Cl ZINC000877613920 590373233 /nfs/dbraw/zinc/37/32/33/590373233.db2.gz SJMKXDGYVWIHRV-SECBINFHSA-N 1 2 245.153 3.250 20 0 BGADLO Cc1c(Cl)cccc1C[N@@H+](C)Cc1c[nH]cn1 ZINC000877619617 590376343 /nfs/dbraw/zinc/37/63/43/590376343.db2.gz GKDTYEKXKHDWMI-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c(Cl)cccc1C[N@H+](C)Cc1c[nH]cn1 ZINC000877619617 590376340 /nfs/dbraw/zinc/37/63/40/590376340.db2.gz GKDTYEKXKHDWMI-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c(Cl)cccc1C[N@@H+](C)Cc1cnc[nH]1 ZINC000877619617 590376337 /nfs/dbraw/zinc/37/63/37/590376337.db2.gz GKDTYEKXKHDWMI-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c(Cl)cccc1C[N@H+](C)Cc1cnc[nH]1 ZINC000877619617 590376334 /nfs/dbraw/zinc/37/63/34/590376334.db2.gz GKDTYEKXKHDWMI-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Clc1csc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000877620140 590375637 /nfs/dbraw/zinc/37/56/37/590375637.db2.gz DRFWTXOXFNSCIZ-IUCAKERBSA-N 1 2 242.775 3.171 20 0 BGADLO Clc1csc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000877620140 590375634 /nfs/dbraw/zinc/37/56/34/590375634.db2.gz DRFWTXOXFNSCIZ-IUCAKERBSA-N 1 2 242.775 3.171 20 0 BGADLO Clc1csc(C[NH+]2CC(CC3CC3)C2)n1 ZINC000877646563 590384024 /nfs/dbraw/zinc/38/40/24/590384024.db2.gz JXMHSCFDASEIBL-UHFFFAOYSA-N 1 2 242.775 3.028 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cccc(Cl)c1N ZINC000877655086 590385460 /nfs/dbraw/zinc/38/54/60/590385460.db2.gz NVDYFLDDKDYHSZ-UHFFFAOYSA-N 1 2 248.704 3.057 20 0 BGADLO CC1(F)CC[NH+](Cc2nc(Cl)cs2)CC1 ZINC000877700046 590394041 /nfs/dbraw/zinc/39/40/41/590394041.db2.gz AHHJRXVSXLCFDA-UHFFFAOYSA-N 1 2 248.754 3.121 20 0 BGADLO CC(C)(C)c1csc(C[NH+]2CC(C)(C)C2)n1 ZINC000877717784 590399488 /nfs/dbraw/zinc/39/94/88/590399488.db2.gz QMAHVZSUMAHKME-UHFFFAOYSA-N 1 2 238.400 3.282 20 0 BGADLO CC1(C)C[NH+](Cc2ccnc(Cl)c2Cl)C1 ZINC000877717873 590400176 /nfs/dbraw/zinc/40/01/76/590400176.db2.gz SEUFTTNAERNLIK-UHFFFAOYSA-N 1 2 245.153 3.230 20 0 BGADLO Cc1cnc(C[NH2+]Cc2ccc(C(C)(C)C)o2)o1 ZINC000877734585 590403902 /nfs/dbraw/zinc/40/39/02/590403902.db2.gz BOINCIVZQZQMEL-UHFFFAOYSA-N 1 2 248.326 3.163 20 0 BGADLO Cc1ncc(C[NH2+]Cc2ccc(C(C)(C)C)o2)o1 ZINC000877735403 583345659 /nfs/dbraw/zinc/34/56/59/583345659.db2.gz SYRCDQMFJDNSDB-UHFFFAOYSA-N 1 2 248.326 3.163 20 0 BGADLO Cc1cc(C[NH2+]Cc2ccc(C(C)(C)C)o2)no1 ZINC000877735419 590403962 /nfs/dbraw/zinc/40/39/62/590403962.db2.gz TZXCFQCJABJUBJ-UHFFFAOYSA-N 1 2 248.326 3.163 20 0 BGADLO CCc1[nH+]c(C)ccc1OCCc1ccns1 ZINC000877882282 590437454 /nfs/dbraw/zinc/43/74/54/590437454.db2.gz FNIDLGCHNLNHOB-UHFFFAOYSA-N 1 2 248.351 3.030 20 0 BGADLO Cc1cc(OCCOC2CC2)c2ccccc2[nH+]1 ZINC000877882573 590437548 /nfs/dbraw/zinc/43/75/48/590437548.db2.gz QEJPGISZRZACLQ-UHFFFAOYSA-N 1 2 243.306 3.101 20 0 BGADLO c1c[nH+]c(COCCCC2CCCCC2)[nH]1 ZINC000877884406 590438515 /nfs/dbraw/zinc/43/85/15/590438515.db2.gz WRYAMLIJBITPHT-UHFFFAOYSA-N 1 2 222.332 3.287 20 0 BGADLO C=C/C=C\CCn1c[nH+]c(C(C)(C)C)c1 ZINC000877891223 590440645 /nfs/dbraw/zinc/44/06/45/590440645.db2.gz IINHFYHJHJSVEN-SREVYHEPSA-N 1 2 204.317 3.313 20 0 BGADLO C=C/C=C/CCn1c[nH+]c(C(C)(C)C)c1 ZINC000877891224 590441137 /nfs/dbraw/zinc/44/11/37/590441137.db2.gz IINHFYHJHJSVEN-VOTSOKGWSA-N 1 2 204.317 3.313 20 0 BGADLO COC[C@@H](Cn1c[nH+]c(C(C)(C)C)c1)C(C)C ZINC000877891309 590440675 /nfs/dbraw/zinc/44/06/75/590440675.db2.gz LCFARNQDWMQKOJ-GFCCVEGCSA-N 1 2 238.375 3.099 20 0 BGADLO COC[C@H](Cn1c[nH+]c(C(C)(C)C)c1)C(C)C ZINC000877891310 590441063 /nfs/dbraw/zinc/44/10/63/590441063.db2.gz LCFARNQDWMQKOJ-LBPRGKRZSA-N 1 2 238.375 3.099 20 0 BGADLO Cc1conc1C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000877892593 590440866 /nfs/dbraw/zinc/44/08/66/590440866.db2.gz BKMMYWBXCADRPO-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1conc1C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000877892593 590440863 /nfs/dbraw/zinc/44/08/63/590440863.db2.gz BKMMYWBXCADRPO-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1conc1C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000877892594 590440668 /nfs/dbraw/zinc/44/06/68/590440668.db2.gz BKMMYWBXCADRPO-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1conc1C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000877892594 590440666 /nfs/dbraw/zinc/44/06/66/590440666.db2.gz BKMMYWBXCADRPO-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO CC[N@@H+](Cc1cccs1)Cc1nocc1C ZINC000877904833 590444350 /nfs/dbraw/zinc/44/43/50/590444350.db2.gz PTROEXNNCWTCDX-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO CC[N@H+](Cc1cccs1)Cc1nocc1C ZINC000877904833 590444349 /nfs/dbraw/zinc/44/43/49/590444349.db2.gz PTROEXNNCWTCDX-UHFFFAOYSA-N 1 2 236.340 3.067 20 0 BGADLO Cc1conc1C[N@@H+](Cc1ccccc1)C1CC1 ZINC000877916608 590446627 /nfs/dbraw/zinc/44/66/27/590446627.db2.gz KCZYBXKQYODICW-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO Cc1conc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000877916608 590446625 /nfs/dbraw/zinc/44/66/25/590446625.db2.gz KCZYBXKQYODICW-UHFFFAOYSA-N 1 2 242.322 3.148 20 0 BGADLO Cc1conc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000877918615 590447642 /nfs/dbraw/zinc/44/76/42/590447642.db2.gz IGRSBPJFYMIYFJ-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO Cc1conc1C[N@H+](Cc1cccs1)C1CC1 ZINC000877918615 590447641 /nfs/dbraw/zinc/44/76/41/590447641.db2.gz IGRSBPJFYMIYFJ-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO CCc1ccc(C[N@@H+](C)Cc2nocc2C)cc1 ZINC000877933056 590450638 /nfs/dbraw/zinc/45/06/38/590450638.db2.gz NEKJMITVVPVZAK-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO CCc1ccc(C[N@H+](C)Cc2nocc2C)cc1 ZINC000877933056 590450636 /nfs/dbraw/zinc/45/06/36/590450636.db2.gz NEKJMITVVPVZAK-UHFFFAOYSA-N 1 2 244.338 3.177 20 0 BGADLO Cc1conc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000877970326 590461986 /nfs/dbraw/zinc/46/19/86/590461986.db2.gz LCQWAIIGHBNOGP-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1conc1C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000877970326 590461985 /nfs/dbraw/zinc/46/19/85/590461985.db2.gz LCQWAIIGHBNOGP-JTQLQIEISA-N 1 2 236.340 3.238 20 0 BGADLO Cc1conc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000877970327 590461833 /nfs/dbraw/zinc/46/18/33/590461833.db2.gz LCQWAIIGHBNOGP-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1conc1C[N@@H+](C)[C@H](C)c1cccs1 ZINC000877970327 590461832 /nfs/dbraw/zinc/46/18/32/590461832.db2.gz LCQWAIIGHBNOGP-SNVBAGLBSA-N 1 2 236.340 3.238 20 0 BGADLO Cc1ccc(C[N@@H+](Cc2nocc2C)C2CC2)o1 ZINC000877970355 590461607 /nfs/dbraw/zinc/46/16/07/590461607.db2.gz LWIMXEYDKNDIQZ-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1ccc(C[N@H+](Cc2nocc2C)C2CC2)o1 ZINC000877970355 590461604 /nfs/dbraw/zinc/46/16/04/590461604.db2.gz LWIMXEYDKNDIQZ-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1conc1C[N@H+](C)[C@H](C)c1ccccc1F ZINC000877972454 590463049 /nfs/dbraw/zinc/46/30/49/590463049.db2.gz ALACJJPUHMCYDF-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1conc1C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000877972454 590463048 /nfs/dbraw/zinc/46/30/48/590463048.db2.gz ALACJJPUHMCYDF-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1conc1C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000877972455 590463111 /nfs/dbraw/zinc/46/31/11/590463111.db2.gz ALACJJPUHMCYDF-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1conc1C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000877972455 590463110 /nfs/dbraw/zinc/46/31/10/590463110.db2.gz ALACJJPUHMCYDF-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO CO[C@H]1C[C@@H](C[N@@H+](C)c2ccc(C)c(C)c2)C1 ZINC000877976539 590464360 /nfs/dbraw/zinc/46/43/60/590464360.db2.gz WMTGZSUVNUBBBT-OTVXOJSOSA-N 1 2 233.355 3.165 20 0 BGADLO CO[C@H]1C[C@@H](C[N@H+](C)c2ccc(C)c(C)c2)C1 ZINC000877976539 590464357 /nfs/dbraw/zinc/46/43/57/590464357.db2.gz WMTGZSUVNUBBBT-OTVXOJSOSA-N 1 2 233.355 3.165 20 0 BGADLO C=C/C=C\CC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000877979718 590464770 /nfs/dbraw/zinc/46/47/70/590464770.db2.gz LGFCBZUTVUNEAS-DSYXLKISSA-N 1 2 247.342 3.037 20 0 BGADLO C=C/C=C\CC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000877979718 590464767 /nfs/dbraw/zinc/46/47/67/590464767.db2.gz LGFCBZUTVUNEAS-DSYXLKISSA-N 1 2 247.342 3.037 20 0 BGADLO C=C/C=C/CC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000877979719 590464707 /nfs/dbraw/zinc/46/47/07/590464707.db2.gz LGFCBZUTVUNEAS-IHVVCDCBSA-N 1 2 247.342 3.037 20 0 BGADLO C=C/C=C/CC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000877979719 590464705 /nfs/dbraw/zinc/46/47/05/590464705.db2.gz LGFCBZUTVUNEAS-IHVVCDCBSA-N 1 2 247.342 3.037 20 0 BGADLO C=C/C=C/CC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000877979720 590464741 /nfs/dbraw/zinc/46/47/41/590464741.db2.gz LGFCBZUTVUNEAS-MUBLQREKSA-N 1 2 247.342 3.037 20 0 BGADLO C=C/C=C/CC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000877979720 590464739 /nfs/dbraw/zinc/46/47/39/590464739.db2.gz LGFCBZUTVUNEAS-MUBLQREKSA-N 1 2 247.342 3.037 20 0 BGADLO C=C/C=C\CC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000877979721 590464897 /nfs/dbraw/zinc/46/48/97/590464897.db2.gz LGFCBZUTVUNEAS-ZFDPJTLLSA-N 1 2 247.342 3.037 20 0 BGADLO C=C/C=C\CC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000877979721 590464896 /nfs/dbraw/zinc/46/48/96/590464896.db2.gz LGFCBZUTVUNEAS-ZFDPJTLLSA-N 1 2 247.342 3.037 20 0 BGADLO CO[C@H]1C[C@@H](C[N@@H+](C)c2cc(C)cc(C)c2)C1 ZINC000877983377 590465416 /nfs/dbraw/zinc/46/54/16/590465416.db2.gz OLQSCHLEARPPGO-OTVXOJSOSA-N 1 2 233.355 3.165 20 0 BGADLO CO[C@H]1C[C@@H](C[N@H+](C)c2cc(C)cc(C)c2)C1 ZINC000877983377 590465413 /nfs/dbraw/zinc/46/54/13/590465413.db2.gz OLQSCHLEARPPGO-OTVXOJSOSA-N 1 2 233.355 3.165 20 0 BGADLO CO[C@H]1C[C@@H](C[N@@H+](C)c2cccc(C)c2C)C1 ZINC000877983584 590465664 /nfs/dbraw/zinc/46/56/64/590465664.db2.gz RBPYIEZVRLTFET-OKILXGFUSA-N 1 2 233.355 3.165 20 0 BGADLO CO[C@H]1C[C@@H](C[N@H+](C)c2cccc(C)c2C)C1 ZINC000877983584 590465662 /nfs/dbraw/zinc/46/56/62/590465662.db2.gz RBPYIEZVRLTFET-OKILXGFUSA-N 1 2 233.355 3.165 20 0 BGADLO CO[C@H]1C[C@@H](C[N@@H+](C)c2cc(C)ccc2C)C1 ZINC000877983753 590466168 /nfs/dbraw/zinc/46/61/68/590466168.db2.gz UCZWRIKMPOZBBW-OKILXGFUSA-N 1 2 233.355 3.165 20 0 BGADLO CO[C@H]1C[C@@H](C[N@H+](C)c2cc(C)ccc2C)C1 ZINC000877983753 590466167 /nfs/dbraw/zinc/46/61/67/590466167.db2.gz UCZWRIKMPOZBBW-OKILXGFUSA-N 1 2 233.355 3.165 20 0 BGADLO CO[C@H]1C[C@@H](C[N@@H+](C)c2ccc(C)cc2C)C1 ZINC000877985219 590465762 /nfs/dbraw/zinc/46/57/62/590465762.db2.gz VUQHBKZSRKDCDI-OKILXGFUSA-N 1 2 233.355 3.165 20 0 BGADLO CO[C@H]1C[C@@H](C[N@H+](C)c2ccc(C)cc2C)C1 ZINC000877985219 590465761 /nfs/dbraw/zinc/46/57/61/590465761.db2.gz VUQHBKZSRKDCDI-OKILXGFUSA-N 1 2 233.355 3.165 20 0 BGADLO CCC[N@@H+](CC(F)F)C[C@H]1CCC2(CCC2)O1 ZINC000878032644 590476399 /nfs/dbraw/zinc/47/63/99/590476399.db2.gz NBRDVDWFXVHDHW-LLVKDONJSA-N 1 2 247.329 3.065 20 0 BGADLO CCC[N@H+](CC(F)F)C[C@H]1CCC2(CCC2)O1 ZINC000878032644 590476397 /nfs/dbraw/zinc/47/63/97/590476397.db2.gz NBRDVDWFXVHDHW-LLVKDONJSA-N 1 2 247.329 3.065 20 0 BGADLO CCC[N@@H+](CC(F)F)C[C@@H]1CCC2(CCC2)O1 ZINC000878032645 590473772 /nfs/dbraw/zinc/47/37/72/590473772.db2.gz NBRDVDWFXVHDHW-NSHDSACASA-N 1 2 247.329 3.065 20 0 BGADLO CCC[N@H+](CC(F)F)C[C@@H]1CCC2(CCC2)O1 ZINC000878032645 590473770 /nfs/dbraw/zinc/47/37/70/590473770.db2.gz NBRDVDWFXVHDHW-NSHDSACASA-N 1 2 247.329 3.065 20 0 BGADLO C[N@@H+](CC[C@H]1CCCC1(F)F)CC(F)F ZINC000878051163 590482220 /nfs/dbraw/zinc/48/22/20/590482220.db2.gz DVEZAMXBFNHTMU-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@H+](CC[C@H]1CCCC1(F)F)CC(F)F ZINC000878051163 590482219 /nfs/dbraw/zinc/48/22/19/590482219.db2.gz DVEZAMXBFNHTMU-MRVPVSSYSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@@H+](CC[C@@H]1CCCC1(F)F)CC(F)F ZINC000878051164 590482424 /nfs/dbraw/zinc/48/24/24/590482424.db2.gz DVEZAMXBFNHTMU-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@H+](CC[C@@H]1CCCC1(F)F)CC(F)F ZINC000878051164 590482421 /nfs/dbraw/zinc/48/24/21/590482421.db2.gz DVEZAMXBFNHTMU-QMMMGPOBSA-N 1 2 227.245 3.009 20 0 BGADLO C[N@@H+](CCCSC(C)(C)C)CC(F)F ZINC000878052575 590483507 /nfs/dbraw/zinc/48/35/07/590483507.db2.gz VATGJMSDOKBQEN-UHFFFAOYSA-N 1 2 225.348 3.105 20 0 BGADLO C[N@H+](CCCSC(C)(C)C)CC(F)F ZINC000878052575 590483505 /nfs/dbraw/zinc/48/35/05/590483505.db2.gz VATGJMSDOKBQEN-UHFFFAOYSA-N 1 2 225.348 3.105 20 0 BGADLO Cc1conc1C[N@H+]1Cc2ccccc2[C@H]1C ZINC000878157822 590508633 /nfs/dbraw/zinc/50/86/33/590508633.db2.gz MXHYJKPLRWKSQG-LLVKDONJSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1conc1C[N@@H+]1Cc2ccccc2[C@H]1C ZINC000878157822 590508632 /nfs/dbraw/zinc/50/86/32/590508632.db2.gz MXHYJKPLRWKSQG-LLVKDONJSA-N 1 2 228.295 3.060 20 0 BGADLO Cc1conc1C[N@H+]1Cc2ccccc2[C@@H]1C ZINC000878157823 590509053 /nfs/dbraw/zinc/50/90/53/590509053.db2.gz MXHYJKPLRWKSQG-NSHDSACASA-N 1 2 228.295 3.060 20 0 BGADLO Cc1conc1C[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000878157823 590509051 /nfs/dbraw/zinc/50/90/51/590509051.db2.gz MXHYJKPLRWKSQG-NSHDSACASA-N 1 2 228.295 3.060 20 0 BGADLO Cc1conc1C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000878165876 590512632 /nfs/dbraw/zinc/51/26/32/590512632.db2.gz GOXYMECMOJNAEX-ABAIWWIYSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1conc1C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000878165876 590512631 /nfs/dbraw/zinc/51/26/31/590512631.db2.gz GOXYMECMOJNAEX-ABAIWWIYSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1conc1C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000878165877 590513089 /nfs/dbraw/zinc/51/30/89/590513089.db2.gz GOXYMECMOJNAEX-IAQYHMDHSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1conc1C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000878165877 590513087 /nfs/dbraw/zinc/51/30/87/590513087.db2.gz GOXYMECMOJNAEX-IAQYHMDHSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1conc1C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000878165878 590512185 /nfs/dbraw/zinc/51/21/85/590512185.db2.gz GOXYMECMOJNAEX-NHYWBVRUSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1conc1C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000878165878 590512183 /nfs/dbraw/zinc/51/21/83/590512183.db2.gz GOXYMECMOJNAEX-NHYWBVRUSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1conc1C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000878165879 590512461 /nfs/dbraw/zinc/51/24/61/590512461.db2.gz GOXYMECMOJNAEX-XHDPSFHLSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1conc1C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000878165879 590512460 /nfs/dbraw/zinc/51/24/60/590512460.db2.gz GOXYMECMOJNAEX-XHDPSFHLSA-N 1 2 242.322 3.176 20 0 BGADLO Cc1conc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000878166543 590512977 /nfs/dbraw/zinc/51/29/77/590512977.db2.gz XXKCVUBQGKPWKR-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1conc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000878166543 590512974 /nfs/dbraw/zinc/51/29/74/590512974.db2.gz XXKCVUBQGKPWKR-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1conc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000878166544 590512563 /nfs/dbraw/zinc/51/25/63/590512563.db2.gz XXKCVUBQGKPWKR-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1conc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000878166544 590512561 /nfs/dbraw/zinc/51/25/61/590512561.db2.gz XXKCVUBQGKPWKR-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO CC(C)[N@@H+](CC(F)F)C[C@H]1CCC2(CCC2)O1 ZINC000878200752 590524105 /nfs/dbraw/zinc/52/41/05/590524105.db2.gz TZTISSZUGJZCQX-LLVKDONJSA-N 1 2 247.329 3.064 20 0 BGADLO CC(C)[N@H+](CC(F)F)C[C@H]1CCC2(CCC2)O1 ZINC000878200752 590524103 /nfs/dbraw/zinc/52/41/03/590524103.db2.gz TZTISSZUGJZCQX-LLVKDONJSA-N 1 2 247.329 3.064 20 0 BGADLO CC(C)[N@@H+](CC(F)F)C[C@@H]1CCC2(CCC2)O1 ZINC000878200753 590523866 /nfs/dbraw/zinc/52/38/66/590523866.db2.gz TZTISSZUGJZCQX-NSHDSACASA-N 1 2 247.329 3.064 20 0 BGADLO CC(C)[N@H+](CC(F)F)C[C@@H]1CCC2(CCC2)O1 ZINC000878200753 590523863 /nfs/dbraw/zinc/52/38/63/590523863.db2.gz TZTISSZUGJZCQX-NSHDSACASA-N 1 2 247.329 3.064 20 0 BGADLO c1cn(C[C@H]2CCC[C@@H](c3ccccc3)O2)c[nH+]1 ZINC000878207982 590524000 /nfs/dbraw/zinc/52/40/00/590524000.db2.gz OKRAFKUCPGMGLQ-CABCVRRESA-N 1 2 242.322 3.194 20 0 BGADLO c1cn(C[C@@H]2CCC[C@@H](c3ccccc3)O2)c[nH+]1 ZINC000878207983 590524024 /nfs/dbraw/zinc/52/40/24/590524024.db2.gz OKRAFKUCPGMGLQ-GJZGRUSLSA-N 1 2 242.322 3.194 20 0 BGADLO c1cn(C[C@H]2CCC[C@H](c3ccccc3)O2)c[nH+]1 ZINC000878207984 590524514 /nfs/dbraw/zinc/52/45/14/590524514.db2.gz OKRAFKUCPGMGLQ-HUUCEWRRSA-N 1 2 242.322 3.194 20 0 BGADLO c1cn(C[C@@H]2CCC[C@H](c3ccccc3)O2)c[nH+]1 ZINC000878207985 590524451 /nfs/dbraw/zinc/52/44/51/590524451.db2.gz OKRAFKUCPGMGLQ-LSDHHAIUSA-N 1 2 242.322 3.194 20 0 BGADLO CO[C@H]1C[C@@H](C[N@H+](c2ccccc2)C(C)C)C1 ZINC000878214972 590525246 /nfs/dbraw/zinc/52/52/46/590525246.db2.gz INKLRYLFHSGWMQ-OTVXOJSOSA-N 1 2 233.355 3.326 20 0 BGADLO CO[C@H]1C[C@@H](C[N@@H+](c2ccccc2)C(C)C)C1 ZINC000878214972 590525245 /nfs/dbraw/zinc/52/52/45/590525245.db2.gz INKLRYLFHSGWMQ-OTVXOJSOSA-N 1 2 233.355 3.326 20 0 BGADLO CC[N@@H+](C[C@H]1C[C@@H](OC)C1)c1ccccc1C ZINC000878214978 590524798 /nfs/dbraw/zinc/52/47/98/590524798.db2.gz IWRIVKDOEYNLJV-OKILXGFUSA-N 1 2 233.355 3.246 20 0 BGADLO CC[N@H+](C[C@H]1C[C@@H](OC)C1)c1ccccc1C ZINC000878214978 590524797 /nfs/dbraw/zinc/52/47/97/590524797.db2.gz IWRIVKDOEYNLJV-OKILXGFUSA-N 1 2 233.355 3.246 20 0 BGADLO CC[N@@H+](C[C@H]1C[C@@H](OC)C1)c1cccc(C)c1 ZINC000878216254 590525006 /nfs/dbraw/zinc/52/50/06/590525006.db2.gz SSEXHFPMYPQPPI-OTVXOJSOSA-N 1 2 233.355 3.246 20 0 BGADLO CC[N@H+](C[C@H]1C[C@@H](OC)C1)c1cccc(C)c1 ZINC000878216254 590525002 /nfs/dbraw/zinc/52/50/02/590525002.db2.gz SSEXHFPMYPQPPI-OTVXOJSOSA-N 1 2 233.355 3.246 20 0 BGADLO CC[N@@H+](C[C@H]1C[C@@H](OC)C1)c1ccc(C)cc1 ZINC000878219108 590525780 /nfs/dbraw/zinc/52/57/80/590525780.db2.gz GYLGVLQHTSKGAF-OTVXOJSOSA-N 1 2 233.355 3.246 20 0 BGADLO CC[N@H+](C[C@H]1C[C@@H](OC)C1)c1ccc(C)cc1 ZINC000878219108 590525779 /nfs/dbraw/zinc/52/57/79/590525779.db2.gz GYLGVLQHTSKGAF-OTVXOJSOSA-N 1 2 233.355 3.246 20 0 BGADLO C=C/C=C/CC[NH2+][C@@](C)(CC)C(F)(F)F ZINC000878256468 590529078 /nfs/dbraw/zinc/52/90/78/590529078.db2.gz BHFSCADKWGLRDV-FGEFZZPRSA-N 1 2 221.266 3.439 20 0 BGADLO C=C/C=C\CC[NH2+][C@@](C)(CC)C(F)(F)F ZINC000878256470 590530748 /nfs/dbraw/zinc/53/07/48/590530748.db2.gz BHFSCADKWGLRDV-GFVADAIESA-N 1 2 221.266 3.439 20 0 BGADLO C=C/C=C\CC[NH2+][C@](C)(CC)C(F)(F)F ZINC000878256471 590530735 /nfs/dbraw/zinc/53/07/35/590530735.db2.gz BHFSCADKWGLRDV-JYESYGNLSA-N 1 2 221.266 3.439 20 0 BGADLO C=C/C=C/CC[NH2+][C@](C)(CC)C(F)(F)F ZINC000878256473 590530884 /nfs/dbraw/zinc/53/08/84/590530884.db2.gz BHFSCADKWGLRDV-VQCYPWCPSA-N 1 2 221.266 3.439 20 0 BGADLO CC[C@](C)([NH2+]CCCC1CC1)C(F)(F)F ZINC000878257087 590530242 /nfs/dbraw/zinc/53/02/42/590530242.db2.gz GCCYASQFNIJLPF-JTQLQIEISA-N 1 2 223.282 3.497 20 0 BGADLO CC[C@@](C)([NH2+]CCCC1CC1)C(F)(F)F ZINC000878257089 590530781 /nfs/dbraw/zinc/53/07/81/590530781.db2.gz GCCYASQFNIJLPF-SNVBAGLBSA-N 1 2 223.282 3.497 20 0 BGADLO CO[C@H]1C[C@@H](C[N@@H+](CC2CC2)c2ccccc2)C1 ZINC000878265469 590531344 /nfs/dbraw/zinc/53/13/44/590531344.db2.gz QRQXSIGVILMCEG-FZNQNYSPSA-N 1 2 245.366 3.328 20 0 BGADLO CO[C@H]1C[C@@H](C[N@H+](CC2CC2)c2ccccc2)C1 ZINC000878265469 590531342 /nfs/dbraw/zinc/53/13/42/590531342.db2.gz QRQXSIGVILMCEG-FZNQNYSPSA-N 1 2 245.366 3.328 20 0 BGADLO Cc1conc1C[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000878267642 590531724 /nfs/dbraw/zinc/53/17/24/590531724.db2.gz DJCCSKAUCZLDGG-LLVKDONJSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1conc1C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000878267642 590531722 /nfs/dbraw/zinc/53/17/22/590531722.db2.gz DJCCSKAUCZLDGG-LLVKDONJSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1conc1C[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000878267643 590531480 /nfs/dbraw/zinc/53/14/80/590531480.db2.gz DJCCSKAUCZLDGG-NSHDSACASA-N 1 2 246.310 3.302 20 0 BGADLO Cc1conc1C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000878267643 590531478 /nfs/dbraw/zinc/53/14/78/590531478.db2.gz DJCCSKAUCZLDGG-NSHDSACASA-N 1 2 246.310 3.302 20 0 BGADLO CC1=CC[N@@H+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878300352 590537236 /nfs/dbraw/zinc/53/72/36/590537236.db2.gz HDOVGIGPKBBJAI-UHFFFAOYSA-N 1 2 245.244 3.450 20 0 BGADLO CC1=CC[N@H+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878300352 590537234 /nfs/dbraw/zinc/53/72/34/590537234.db2.gz HDOVGIGPKBBJAI-UHFFFAOYSA-N 1 2 245.244 3.450 20 0 BGADLO CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]2C(F)F)O1 ZINC000878320218 590545475 /nfs/dbraw/zinc/54/54/75/590545475.db2.gz CAOMUALFOQCCPM-MNOVXSKESA-N 1 2 247.329 3.064 20 0 BGADLO CC1(C)CCC[C@H](C[N@@H+]2CCC[C@H]2C(F)F)O1 ZINC000878320218 590545474 /nfs/dbraw/zinc/54/54/74/590545474.db2.gz CAOMUALFOQCCPM-MNOVXSKESA-N 1 2 247.329 3.064 20 0 BGADLO CC1(C)CCC[C@@H](C[N@H+]2CCC[C@H]2C(F)F)O1 ZINC000878320219 590544787 /nfs/dbraw/zinc/54/47/87/590544787.db2.gz CAOMUALFOQCCPM-QWRGUYRKSA-N 1 2 247.329 3.064 20 0 BGADLO CC1(C)CCC[C@@H](C[N@@H+]2CCC[C@H]2C(F)F)O1 ZINC000878320219 590544786 /nfs/dbraw/zinc/54/47/86/590544786.db2.gz CAOMUALFOQCCPM-QWRGUYRKSA-N 1 2 247.329 3.064 20 0 BGADLO Cc1conc1C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000878365474 590554645 /nfs/dbraw/zinc/55/46/45/590554645.db2.gz OQNFIPPUDYSDBO-UHFFFAOYSA-N 1 2 248.301 3.147 20 0 BGADLO Cc1conc1C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000878373869 590555753 /nfs/dbraw/zinc/55/57/53/590555753.db2.gz VPQDDNQVWKUYLG-LLVKDONJSA-N 1 2 248.301 3.281 20 0 BGADLO FC1(F)CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878379418 590556637 /nfs/dbraw/zinc/55/66/37/590556637.db2.gz KNBLLNJCOBIWQM-SECBINFHSA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878379418 590556635 /nfs/dbraw/zinc/55/66/35/590556635.db2.gz KNBLLNJCOBIWQM-SECBINFHSA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878379419 590557101 /nfs/dbraw/zinc/55/71/01/590557101.db2.gz KNBLLNJCOBIWQM-VIFPVBQESA-N 1 2 239.256 3.153 20 0 BGADLO FC1(F)CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878379419 590557100 /nfs/dbraw/zinc/55/71/00/590557100.db2.gz KNBLLNJCOBIWQM-VIFPVBQESA-N 1 2 239.256 3.153 20 0 BGADLO CC(C)(C)SCCC[N@H+]1CCC(F)(F)C1 ZINC000878380348 590556953 /nfs/dbraw/zinc/55/69/53/590556953.db2.gz XMHOCLVFRZTUKE-UHFFFAOYSA-N 1 2 237.359 3.249 20 0 BGADLO CC(C)(C)SCCC[N@@H+]1CCC(F)(F)C1 ZINC000878380348 590556951 /nfs/dbraw/zinc/55/69/51/590556951.db2.gz XMHOCLVFRZTUKE-UHFFFAOYSA-N 1 2 237.359 3.249 20 0 BGADLO FC(F)(F)c1coc(C[N@@H+]2CC=CCC2)c1 ZINC000878385184 590557599 /nfs/dbraw/zinc/55/75/99/590557599.db2.gz VBMXOJISEFILNG-UHFFFAOYSA-N 1 2 231.217 3.060 20 0 BGADLO FC(F)(F)c1coc(C[N@H+]2CC=CCC2)c1 ZINC000878385184 590557596 /nfs/dbraw/zinc/55/75/96/590557596.db2.gz VBMXOJISEFILNG-UHFFFAOYSA-N 1 2 231.217 3.060 20 0 BGADLO Cc1conc1C[N@H+](C)Cc1ccc(F)cc1C ZINC000878506254 590582132 /nfs/dbraw/zinc/58/21/32/590582132.db2.gz GTCMNRBEKVLHGU-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1conc1C[N@@H+](C)Cc1ccc(F)cc1C ZINC000878506254 590582131 /nfs/dbraw/zinc/58/21/31/590582131.db2.gz GTCMNRBEKVLHGU-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1conc1C[N@H+](C)Cc1cc(C)ccc1C ZINC000878510340 583377638 /nfs/dbraw/zinc/37/76/38/583377638.db2.gz KEEWKGFYAPGJJY-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1conc1C[N@@H+](C)Cc1cc(C)ccc1C ZINC000878510340 583377636 /nfs/dbraw/zinc/37/76/36/583377636.db2.gz KEEWKGFYAPGJJY-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1conc1C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000878514429 590584608 /nfs/dbraw/zinc/58/46/08/590584608.db2.gz UAUJSIDURMOUIC-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1conc1C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000878514429 590584606 /nfs/dbraw/zinc/58/46/06/590584606.db2.gz UAUJSIDURMOUIC-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(C(F)(F)F)co1 ZINC000878532864 590587191 /nfs/dbraw/zinc/58/71/91/590587191.db2.gz IKRAYKRRLSMNAW-HTQZYQBOSA-N 1 2 233.233 3.281 20 0 BGADLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(C(F)(F)F)co1 ZINC000878532865 590587711 /nfs/dbraw/zinc/58/77/11/590587711.db2.gz IKRAYKRRLSMNAW-OCAPTIKFSA-N 1 2 233.233 3.281 20 0 BGADLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(C(F)(F)F)co1 ZINC000878532865 590587710 /nfs/dbraw/zinc/58/77/10/590587710.db2.gz IKRAYKRRLSMNAW-OCAPTIKFSA-N 1 2 233.233 3.281 20 0 BGADLO C[C@H]1C[C@H](C)[NH+]1Cc1cc(C(F)(F)F)co1 ZINC000878532866 590588306 /nfs/dbraw/zinc/58/83/06/590588306.db2.gz IKRAYKRRLSMNAW-YUMQZZPRSA-N 1 2 233.233 3.281 20 0 BGADLO CC1=CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878548250 590590584 /nfs/dbraw/zinc/59/05/84/590590584.db2.gz HVQFOPBFFOGPFP-UHFFFAOYSA-N 1 2 245.244 3.450 20 0 BGADLO CC1=CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878548250 590590582 /nfs/dbraw/zinc/59/05/82/590590582.db2.gz HVQFOPBFFOGPFP-UHFFFAOYSA-N 1 2 245.244 3.450 20 0 BGADLO Cc1conc1C[N@H+](C)Cc1cccc(C)c1C ZINC000878639612 590599593 /nfs/dbraw/zinc/59/95/93/590599593.db2.gz OVZREHQAYYXVTI-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1conc1C[N@@H+](C)Cc1cccc(C)c1C ZINC000878639612 590599591 /nfs/dbraw/zinc/59/95/91/590599591.db2.gz OVZREHQAYYXVTI-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1conc1C[NH2+]C(C)(C)c1ccccc1F ZINC000878643439 590600799 /nfs/dbraw/zinc/60/07/99/590600799.db2.gz IDGXEJYNAWFSSN-UHFFFAOYSA-N 1 2 248.301 3.147 20 0 BGADLO C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)co2)[C@H]1C ZINC000878651495 590602042 /nfs/dbraw/zinc/60/20/42/590602042.db2.gz AUVMOHAUWXPZRY-SFYZADRCSA-N 1 2 233.233 3.139 20 0 BGADLO C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)co2)[C@H]1C ZINC000878651495 590602040 /nfs/dbraw/zinc/60/20/40/590602040.db2.gz AUVMOHAUWXPZRY-SFYZADRCSA-N 1 2 233.233 3.139 20 0 BGADLO C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)co2)[C@H]1C ZINC000878651496 590602626 /nfs/dbraw/zinc/60/26/26/590602626.db2.gz AUVMOHAUWXPZRY-YUMQZZPRSA-N 1 2 233.233 3.139 20 0 BGADLO C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)co2)[C@H]1C ZINC000878651496 590602625 /nfs/dbraw/zinc/60/26/25/590602625.db2.gz AUVMOHAUWXPZRY-YUMQZZPRSA-N 1 2 233.233 3.139 20 0 BGADLO Cc1conc1C[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000878692573 590610459 /nfs/dbraw/zinc/61/04/59/590610459.db2.gz XRJSAKLYUCFBQF-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1conc1C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000878692573 590610457 /nfs/dbraw/zinc/61/04/57/590610457.db2.gz XRJSAKLYUCFBQF-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1conc1C[NH2+]C1(c2ccccc2C)CC1 ZINC000878761506 590619548 /nfs/dbraw/zinc/61/95/48/590619548.db2.gz WMGNQDIQDLDLRM-UHFFFAOYSA-N 1 2 242.322 3.070 20 0 BGADLO Cc1nsc(C)c1C[N@H+]1CCC=C(Cl)C1 ZINC000878790208 590622736 /nfs/dbraw/zinc/62/27/36/590622736.db2.gz FRABHQXFYGMMGJ-UHFFFAOYSA-N 1 2 242.775 3.088 20 0 BGADLO Cc1nsc(C)c1C[N@@H+]1CCC=C(Cl)C1 ZINC000878790208 590622734 /nfs/dbraw/zinc/62/27/34/590622734.db2.gz FRABHQXFYGMMGJ-UHFFFAOYSA-N 1 2 242.775 3.088 20 0 BGADLO ClC1=CCC[N@@H+](Cc2ccsc2)C1 ZINC000878790235 590622574 /nfs/dbraw/zinc/62/25/74/590622574.db2.gz HBNVKFRNVNVENZ-UHFFFAOYSA-N 1 2 213.733 3.077 20 0 BGADLO ClC1=CCC[N@H+](Cc2ccsc2)C1 ZINC000878790235 590622572 /nfs/dbraw/zinc/62/25/72/590622572.db2.gz HBNVKFRNVNVENZ-UHFFFAOYSA-N 1 2 213.733 3.077 20 0 BGADLO Cc1nc(C[N@H+]2CCC=C(Cl)C2)sc1C ZINC000878790592 590622413 /nfs/dbraw/zinc/62/24/13/590622413.db2.gz PPRDPYMBLKGBKN-UHFFFAOYSA-N 1 2 242.775 3.088 20 0 BGADLO Cc1nc(C[N@@H+]2CCC=C(Cl)C2)sc1C ZINC000878790592 590622412 /nfs/dbraw/zinc/62/24/12/590622412.db2.gz PPRDPYMBLKGBKN-UHFFFAOYSA-N 1 2 242.775 3.088 20 0 BGADLO Cc1ccc(C[N@H+]2CCC=C(Cl)C2)c(C)n1 ZINC000878792304 590623444 /nfs/dbraw/zinc/62/34/44/590623444.db2.gz ZHWRGIBMOLMRSY-UHFFFAOYSA-N 1 2 236.746 3.027 20 0 BGADLO Cc1ccc(C[N@@H+]2CCC=C(Cl)C2)c(C)n1 ZINC000878792304 590623442 /nfs/dbraw/zinc/62/34/42/590623442.db2.gz ZHWRGIBMOLMRSY-UHFFFAOYSA-N 1 2 236.746 3.027 20 0 BGADLO ClC1=CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000878793431 590624081 /nfs/dbraw/zinc/62/40/81/590624081.db2.gz MRWYBQPOFMNFFV-UHFFFAOYSA-N 1 2 248.713 3.156 20 0 BGADLO ClC1=CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000878793431 590624079 /nfs/dbraw/zinc/62/40/79/590624079.db2.gz MRWYBQPOFMNFFV-UHFFFAOYSA-N 1 2 248.713 3.156 20 0 BGADLO ClC1=CCC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000878793971 590624159 /nfs/dbraw/zinc/62/41/59/590624159.db2.gz YEJZYARHISIVON-SSDOTTSWSA-N 1 2 240.561 3.009 20 0 BGADLO ClC1=CCC[N@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000878793971 590624157 /nfs/dbraw/zinc/62/41/57/590624157.db2.gz YEJZYARHISIVON-SSDOTTSWSA-N 1 2 240.561 3.009 20 0 BGADLO ClC1=CCC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000878793972 590624591 /nfs/dbraw/zinc/62/45/91/590624591.db2.gz YEJZYARHISIVON-ZETCQYMHSA-N 1 2 240.561 3.009 20 0 BGADLO ClC1=CCC[N@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000878793972 590624590 /nfs/dbraw/zinc/62/45/90/590624590.db2.gz YEJZYARHISIVON-ZETCQYMHSA-N 1 2 240.561 3.009 20 0 BGADLO Cc1nc(C)c(C[N@H+]2CCC=C(Cl)C2)s1 ZINC000878794243 590624220 /nfs/dbraw/zinc/62/42/20/590624220.db2.gz WTBPLOVALAXFAY-UHFFFAOYSA-N 1 2 242.775 3.088 20 0 BGADLO Cc1nc(C)c(C[N@@H+]2CCC=C(Cl)C2)s1 ZINC000878794243 590624219 /nfs/dbraw/zinc/62/42/19/590624219.db2.gz WTBPLOVALAXFAY-UHFFFAOYSA-N 1 2 242.775 3.088 20 0 BGADLO C=C/C=C\CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000878846013 590630940 /nfs/dbraw/zinc/63/09/40/590630940.db2.gz HHHVJSJVCQHMME-ARJAWSKDSA-N 1 2 235.277 3.413 20 0 BGADLO C=C/C=C/CC[NH+]1Cc2cc(F)c(F)cc2C1 ZINC000878846014 590631213 /nfs/dbraw/zinc/63/12/13/590631213.db2.gz HHHVJSJVCQHMME-ONEGZZNKSA-N 1 2 235.277 3.413 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2ccns2)cs1 ZINC000878900027 590643595 /nfs/dbraw/zinc/64/35/95/590643595.db2.gz SQSVOSRXQXEMEY-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2ccns2)cs1 ZINC000878900027 590643591 /nfs/dbraw/zinc/64/35/91/590643591.db2.gz SQSVOSRXQXEMEY-UHFFFAOYSA-N 1 2 238.381 3.145 20 0 BGADLO CSC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000879098688 590696525 /nfs/dbraw/zinc/69/65/25/590696525.db2.gz HSEOKKGEOVUKEO-SOFGYWHQSA-N 1 2 240.199 3.133 20 0 BGADLO CSC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000879098689 590697058 /nfs/dbraw/zinc/69/70/58/590697058.db2.gz HSEOKKGEOVUKEO-VURMDHGXSA-N 1 2 240.199 3.133 20 0 BGADLO FCC[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000879105244 590697898 /nfs/dbraw/zinc/69/78/98/590697898.db2.gz WVIZGTDNMNSBBT-UHFFFAOYSA-N 1 2 247.235 3.033 20 0 BGADLO FCC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000879105244 590697895 /nfs/dbraw/zinc/69/78/95/590697895.db2.gz WVIZGTDNMNSBBT-UHFFFAOYSA-N 1 2 247.235 3.033 20 0 BGADLO FCCC1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000879209737 590714809 /nfs/dbraw/zinc/71/48/09/590714809.db2.gz SDSPZENXQINGSQ-JXMROGBWSA-N 1 2 240.149 3.377 20 0 BGADLO FCCC1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000879209738 590715026 /nfs/dbraw/zinc/71/50/26/590715026.db2.gz SDSPZENXQINGSQ-YFHOEESVSA-N 1 2 240.149 3.377 20 0 BGADLO COCCCCC[N@@H+](C)c1cccc2cc[nH]c21 ZINC000879342400 583426601 /nfs/dbraw/zinc/42/66/01/583426601.db2.gz BABJKDRLTPMUAK-UHFFFAOYSA-N 1 2 246.354 3.421 20 0 BGADLO COCCCCC[N@H+](C)c1cccc2cc[nH]c21 ZINC000879342400 583426600 /nfs/dbraw/zinc/42/66/00/583426600.db2.gz BABJKDRLTPMUAK-UHFFFAOYSA-N 1 2 246.354 3.421 20 0 BGADLO COCCCC[N@@H+](C)c1cccc2cc[nH]c21 ZINC000879342573 590751659 /nfs/dbraw/zinc/75/16/59/590751659.db2.gz DELMYGLYRCSVFW-UHFFFAOYSA-N 1 2 232.327 3.031 20 0 BGADLO COCCCC[N@H+](C)c1cccc2cc[nH]c21 ZINC000879342573 590751656 /nfs/dbraw/zinc/75/16/56/590751656.db2.gz DELMYGLYRCSVFW-UHFFFAOYSA-N 1 2 232.327 3.031 20 0 BGADLO C[N@@H+](CC1CC1)c1cccc2cc[nH]c21 ZINC000879343094 590751220 /nfs/dbraw/zinc/75/12/20/590751220.db2.gz LJLXKSXFAUYWIB-UHFFFAOYSA-N 1 2 200.285 3.014 20 0 BGADLO C[N@H+](CC1CC1)c1cccc2cc[nH]c21 ZINC000879343094 590751218 /nfs/dbraw/zinc/75/12/18/590751218.db2.gz LJLXKSXFAUYWIB-UHFFFAOYSA-N 1 2 200.285 3.014 20 0 BGADLO C[N@@H+](CCCCCCO)c1cccc2cc[nH]c21 ZINC000879343430 590751193 /nfs/dbraw/zinc/75/11/93/590751193.db2.gz SRYCXTXLPHSRFH-UHFFFAOYSA-N 1 2 246.354 3.157 20 0 BGADLO C[N@H+](CCCCCCO)c1cccc2cc[nH]c21 ZINC000879343430 590751191 /nfs/dbraw/zinc/75/11/91/590751191.db2.gz SRYCXTXLPHSRFH-UHFFFAOYSA-N 1 2 246.354 3.157 20 0 BGADLO C[N@@H+](CC1CCOCC1)c1cccc2cc[nH]c21 ZINC000879343572 590750782 /nfs/dbraw/zinc/75/07/82/590750782.db2.gz WLSXYZBXHMZSDX-UHFFFAOYSA-N 1 2 244.338 3.031 20 0 BGADLO C[N@H+](CC1CCOCC1)c1cccc2cc[nH]c21 ZINC000879343572 590750778 /nfs/dbraw/zinc/75/07/78/590750778.db2.gz WLSXYZBXHMZSDX-UHFFFAOYSA-N 1 2 244.338 3.031 20 0 BGADLO C[N@@H+](CCCCF)c1cccc2cc[nH]c21 ZINC000879343812 590750886 /nfs/dbraw/zinc/75/08/86/590750886.db2.gz FERONMOSEBWJKN-UHFFFAOYSA-N 1 2 220.291 3.354 20 0 BGADLO C[N@H+](CCCCF)c1cccc2cc[nH]c21 ZINC000879343812 590750882 /nfs/dbraw/zinc/75/08/82/590750882.db2.gz FERONMOSEBWJKN-UHFFFAOYSA-N 1 2 220.291 3.354 20 0 BGADLO CO[C@H]1C[C@@H](C[N@@H+](C)c2cccc3cc[nH]c32)C1 ZINC000879343928 590751590 /nfs/dbraw/zinc/75/15/90/590751590.db2.gz IRLFLHRRTPLVHX-BJHJDKERSA-N 1 2 244.338 3.029 20 0 BGADLO CO[C@H]1C[C@@H](C[N@H+](C)c2cccc3cc[nH]c32)C1 ZINC000879343928 590751587 /nfs/dbraw/zinc/75/15/87/590751587.db2.gz IRLFLHRRTPLVHX-BJHJDKERSA-N 1 2 244.338 3.029 20 0 BGADLO CC(C)c1cnc(C[NH+]2CCC(C)(F)CC2)o1 ZINC000879381079 590758796 /nfs/dbraw/zinc/75/87/96/590758796.db2.gz MSDXKAONCXJHAK-UHFFFAOYSA-N 1 2 240.322 3.122 20 0 BGADLO CC1(F)CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000879381126 590758384 /nfs/dbraw/zinc/75/83/84/590758384.db2.gz PBRSZFCYPIYEQI-UHFFFAOYSA-N 1 2 248.754 3.121 20 0 BGADLO CC1(F)CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC000879382311 590758580 /nfs/dbraw/zinc/75/85/80/590758580.db2.gz VFOLSXKDPGSVBG-SOFGYWHQSA-N 1 2 226.122 3.129 20 0 BGADLO CC1(F)CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000879382312 590758449 /nfs/dbraw/zinc/75/84/49/590758449.db2.gz VFOLSXKDPGSVBG-VURMDHGXSA-N 1 2 226.122 3.129 20 0 BGADLO CC1(F)CC[NH+](Cc2csc(Cl)n2)CC1 ZINC000879382629 590757863 /nfs/dbraw/zinc/75/78/63/590757863.db2.gz LQSDMBRLSNXZTB-UHFFFAOYSA-N 1 2 248.754 3.121 20 0 BGADLO FC[C@H]([NH2+]C/C=C\Cl)c1ccc(F)cc1 ZINC000879661534 590844748 /nfs/dbraw/zinc/84/47/48/590844748.db2.gz ZKCADCAQFXFGSS-CWYBVCKVSA-N 1 2 231.673 3.178 20 0 BGADLO FC[C@@H]([NH2+]C/C=C/Cl)c1ccc(F)cc1 ZINC000879661535 590844478 /nfs/dbraw/zinc/84/44/78/590844478.db2.gz ZKCADCAQFXFGSS-QNPGQNDZSA-N 1 2 231.673 3.178 20 0 BGADLO FC[C@H]([NH2+]C/C=C/Cl)c1ccc(F)cc1 ZINC000879661536 590845072 /nfs/dbraw/zinc/84/50/72/590845072.db2.gz ZKCADCAQFXFGSS-VJLMDBHNSA-N 1 2 231.673 3.178 20 0 BGADLO FC[C@@H]([NH2+]C/C=C\Cl)c1ccc(F)cc1 ZINC000879661537 590844685 /nfs/dbraw/zinc/84/46/85/590844685.db2.gz ZKCADCAQFXFGSS-YXRBIWEASA-N 1 2 231.673 3.178 20 0 BGADLO FC1(F)CCC[C@H]1CC[N@H+]1OC2CCC1CC2 ZINC000879800546 590878293 /nfs/dbraw/zinc/87/82/93/590878293.db2.gz SHAFTFFWBGVFPS-UNXYVOJBSA-N 1 2 245.313 3.370 20 0 BGADLO FC1(F)CCC[C@H]1CC[N@@H+]1OC2CCC1CC2 ZINC000879800546 590878288 /nfs/dbraw/zinc/87/82/88/590878288.db2.gz SHAFTFFWBGVFPS-UNXYVOJBSA-N 1 2 245.313 3.370 20 0 BGADLO FC1(F)CCC[C@@H]1CC[N@H+]1OC2CCC1CC2 ZINC000879800547 590877962 /nfs/dbraw/zinc/87/79/62/590877962.db2.gz SHAFTFFWBGVFPS-VOMCLLRMSA-N 1 2 245.313 3.370 20 0 BGADLO FC1(F)CCC[C@@H]1CC[N@@H+]1OC2CCC1CC2 ZINC000879800547 590877960 /nfs/dbraw/zinc/87/79/60/590877960.db2.gz SHAFTFFWBGVFPS-VOMCLLRMSA-N 1 2 245.313 3.370 20 0 BGADLO CC(C)(C)SCCC[N@H+]1OC2CCC1CC2 ZINC000879800629 590878311 /nfs/dbraw/zinc/87/83/11/590878311.db2.gz VPZLZUDYMCPYRG-UHFFFAOYSA-N 1 2 243.416 3.467 20 0 BGADLO CC(C)(C)SCCC[N@@H+]1OC2CCC1CC2 ZINC000879800629 590878306 /nfs/dbraw/zinc/87/83/06/590878306.db2.gz VPZLZUDYMCPYRG-UHFFFAOYSA-N 1 2 243.416 3.467 20 0 BGADLO CC(C)(C)SCC[N@H+]1OC2CCC1CC2 ZINC000879800891 583449297 /nfs/dbraw/zinc/44/92/97/583449297.db2.gz WHFAUSSECMEEGI-UHFFFAOYSA-N 1 2 229.389 3.077 20 0 BGADLO CC(C)(C)SCC[N@@H+]1OC2CCC1CC2 ZINC000879800891 583449296 /nfs/dbraw/zinc/44/92/96/583449296.db2.gz WHFAUSSECMEEGI-UHFFFAOYSA-N 1 2 229.389 3.077 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880003768 590906737 /nfs/dbraw/zinc/90/67/37/590906737.db2.gz NAWNWYVSULIMLH-MRVPVSSYSA-N 1 2 245.235 3.306 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880003768 590906735 /nfs/dbraw/zinc/90/67/35/590906735.db2.gz NAWNWYVSULIMLH-MRVPVSSYSA-N 1 2 245.235 3.306 20 0 BGADLO CCC(F)(F)C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880003770 590906573 /nfs/dbraw/zinc/90/65/73/590906573.db2.gz NAWNWYVSULIMLH-QMMMGPOBSA-N 1 2 245.235 3.306 20 0 BGADLO CCC(F)(F)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880003770 590906572 /nfs/dbraw/zinc/90/65/72/590906572.db2.gz NAWNWYVSULIMLH-QMMMGPOBSA-N 1 2 245.235 3.306 20 0 BGADLO CCCc1nc(C[NH+]2CCC(F)CC2)cs1 ZINC000880243034 590976860 /nfs/dbraw/zinc/97/68/60/590976860.db2.gz CCDOWRSQVQTAFT-UHFFFAOYSA-N 1 2 242.363 3.030 20 0 BGADLO Cc1cnc(C[N@H+]2CCc3ccsc3[C@@H]2C)o1 ZINC000880376414 591016080 /nfs/dbraw/zinc/01/60/80/591016080.db2.gz RWHJLNOWFTYNQH-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc(C[N@@H+]2CCc3ccsc3[C@@H]2C)o1 ZINC000880376414 591016077 /nfs/dbraw/zinc/01/60/77/591016077.db2.gz RWHJLNOWFTYNQH-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc(C[N@H+]2CCc3ccsc3[C@H]2C)o1 ZINC000880376415 591015097 /nfs/dbraw/zinc/01/50/97/591015097.db2.gz RWHJLNOWFTYNQH-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cnc(C[N@@H+]2CCc3ccsc3[C@H]2C)o1 ZINC000880376415 591015092 /nfs/dbraw/zinc/01/50/92/591015092.db2.gz RWHJLNOWFTYNQH-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cc(C[N@H+]2CCc3ccsc3[C@@H]2C)no1 ZINC000880377203 591016989 /nfs/dbraw/zinc/01/69/89/591016989.db2.gz ZDFGYSZPHZBHBM-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cc(C[N@@H+]2CCc3ccsc3[C@@H]2C)no1 ZINC000880377203 591016985 /nfs/dbraw/zinc/01/69/85/591016985.db2.gz ZDFGYSZPHZBHBM-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cc(C[N@H+]2CCc3ccsc3[C@H]2C)no1 ZINC000880377204 591016857 /nfs/dbraw/zinc/01/68/57/591016857.db2.gz ZDFGYSZPHZBHBM-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1cc(C[N@@H+]2CCc3ccsc3[C@H]2C)no1 ZINC000880377204 591016853 /nfs/dbraw/zinc/01/68/53/591016853.db2.gz ZDFGYSZPHZBHBM-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1conc1C[N@H+]1CCc2ccsc2[C@@H]1C ZINC000880377211 583529708 /nfs/dbraw/zinc/52/97/08/583529708.db2.gz ZFXODDCXGXDXFZ-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1conc1C[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000880377211 583529705 /nfs/dbraw/zinc/52/97/05/583529705.db2.gz ZFXODDCXGXDXFZ-JTQLQIEISA-N 1 2 248.351 3.164 20 0 BGADLO Cc1conc1C[N@H+]1CCc2ccsc2[C@H]1C ZINC000880377212 583530046 /nfs/dbraw/zinc/53/00/46/583530046.db2.gz ZFXODDCXGXDXFZ-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO Cc1conc1C[N@@H+]1CCc2ccsc2[C@H]1C ZINC000880377212 583530044 /nfs/dbraw/zinc/53/00/44/583530044.db2.gz ZFXODDCXGXDXFZ-SNVBAGLBSA-N 1 2 248.351 3.164 20 0 BGADLO c1cc(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)no1 ZINC000880535349 712633659 /nfs/dbraw/zinc/63/36/59/712633659.db2.gz ALUSCTCUKUGYLC-NHYWBVRUSA-N 1 2 240.306 3.109 20 0 BGADLO c1cc(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)no1 ZINC000880535349 712633658 /nfs/dbraw/zinc/63/36/58/712633658.db2.gz ALUSCTCUKUGYLC-NHYWBVRUSA-N 1 2 240.306 3.109 20 0 BGADLO CCOCCCNc1cc2ccc(F)cc2c[nH+]1 ZINC000881741284 591268541 /nfs/dbraw/zinc/26/85/41/591268541.db2.gz DBRIUJVNWUQSKV-UHFFFAOYSA-N 1 2 248.301 3.212 20 0 BGADLO Cc1ccc(CNc2nc[nH+]c(C)c2C)cc1 ZINC000881745101 591268671 /nfs/dbraw/zinc/26/86/71/591268671.db2.gz VRXYZOHXKWQJDC-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO CSCCNc1cc2ccc(F)cc2c[nH+]1 ZINC000881760998 591269693 /nfs/dbraw/zinc/26/96/93/591269693.db2.gz MUYQIZMGYBCRPQ-UHFFFAOYSA-N 1 2 236.315 3.149 20 0 BGADLO C[C@@H]1CN(c2cc[nH+]cc2F)Cc2ccccc21 ZINC000881762066 591269375 /nfs/dbraw/zinc/26/93/75/591269375.db2.gz DROYIQZVHDETAB-LLVKDONJSA-N 1 2 242.297 3.344 20 0 BGADLO C[C@H]1CN(c2cc[nH+]cc2F)Cc2ccccc21 ZINC000881762124 591269703 /nfs/dbraw/zinc/26/97/03/591269703.db2.gz DROYIQZVHDETAB-NSHDSACASA-N 1 2 242.297 3.344 20 0 BGADLO Cc1ccccc1CNc1nc[nH+]c(C)c1C ZINC000881769557 591270561 /nfs/dbraw/zinc/27/05/61/591270561.db2.gz MOQCRPYPIDCXFJ-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1[nH+]cnc(N[C@@H](C)CCc2ccco2)c1C ZINC000881771377 591270348 /nfs/dbraw/zinc/27/03/48/591270348.db2.gz GXFKTTWCCUEYBC-JTQLQIEISA-N 1 2 245.326 3.120 20 0 BGADLO Cc1[nH+]cnc(N[C@H](C)CCc2ccco2)c1C ZINC000881771379 591270553 /nfs/dbraw/zinc/27/05/53/591270553.db2.gz GXFKTTWCCUEYBC-SNVBAGLBSA-N 1 2 245.326 3.120 20 0 BGADLO Cc1[nH+]cnc(N[C@@H]2CCc3ccccc32)c1C ZINC000881778910 591270533 /nfs/dbraw/zinc/27/05/33/591270533.db2.gz HTJMOPCPPGYFNU-CQSZACIVSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1cccc(CNc2nc[nH+]c(C)c2C)c1 ZINC000881790967 591270962 /nfs/dbraw/zinc/27/09/62/591270962.db2.gz BEVXANANFSBZFU-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO COCCCCNc1cc2ccc(F)cc2c[nH+]1 ZINC000881810807 591272426 /nfs/dbraw/zinc/27/24/26/591272426.db2.gz PCKRHWFVEZLHIG-UHFFFAOYSA-N 1 2 248.301 3.212 20 0 BGADLO Cc1ccc(CNc2nc[nH+]c(C)c2C)s1 ZINC000881813916 591272836 /nfs/dbraw/zinc/27/28/36/591272836.db2.gz IAIHUVONTHPLLJ-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1[nH+]cnc(N[C@H](C)Cc2ccsc2)c1C ZINC000881835786 591273703 /nfs/dbraw/zinc/27/37/03/591273703.db2.gz JFDSVFUNXSECMR-SECBINFHSA-N 1 2 247.367 3.198 20 0 BGADLO Cc1[nH+]cnc(N[C@@H](C)Cc2ccsc2)c1C ZINC000881835787 591273652 /nfs/dbraw/zinc/27/36/52/591273652.db2.gz JFDSVFUNXSECMR-VIFPVBQESA-N 1 2 247.367 3.198 20 0 BGADLO Cc1ccc([C@H](C)Nc2cc(CO)cc[nH+]2)s1 ZINC000881837255 591273723 /nfs/dbraw/zinc/27/37/23/591273723.db2.gz QCWFLMGZEAXXMX-JTQLQIEISA-N 1 2 248.351 3.117 20 0 BGADLO Cc1ccc([C@@H](C)Nc2cc(CO)cc[nH+]2)s1 ZINC000881837256 591273629 /nfs/dbraw/zinc/27/36/29/591273629.db2.gz QCWFLMGZEAXXMX-SNVBAGLBSA-N 1 2 248.351 3.117 20 0 BGADLO Cc1ccsc1CNc1nc[nH+]c(C)c1C ZINC000881847681 591274587 /nfs/dbraw/zinc/27/45/87/591274587.db2.gz JFCVSRZDZCIMEW-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO COC[C@@H](C)CNc1cc2ccc(F)cc2c[nH+]1 ZINC000881848283 591274557 /nfs/dbraw/zinc/27/45/57/591274557.db2.gz UVTYGROCFBZJID-JTQLQIEISA-N 1 2 248.301 3.068 20 0 BGADLO COC[C@H](C)CNc1cc2ccc(F)cc2c[nH+]1 ZINC000881848284 591274425 /nfs/dbraw/zinc/27/44/25/591274425.db2.gz UVTYGROCFBZJID-SNVBAGLBSA-N 1 2 248.301 3.068 20 0 BGADLO CO[C@@H](C)CCNc1cc2ccc(F)cc2c[nH+]1 ZINC000881904130 591277449 /nfs/dbraw/zinc/27/74/49/591277449.db2.gz CULBNWATFJMKFL-JTQLQIEISA-N 1 2 248.301 3.211 20 0 BGADLO CO[C@H](C)CCNc1cc2ccc(F)cc2c[nH+]1 ZINC000881904132 591277538 /nfs/dbraw/zinc/27/75/38/591277538.db2.gz CULBNWATFJMKFL-SNVBAGLBSA-N 1 2 248.301 3.211 20 0 BGADLO Cc1[nH+]cnc(NCCSC(C)(C)C)c1C ZINC000881910749 591278145 /nfs/dbraw/zinc/27/81/45/591278145.db2.gz ZSOKODCPBLMGRM-UHFFFAOYSA-N 1 2 239.388 3.037 20 0 BGADLO Cc1cccc2c1CCN(c1cc[nH+]cc1F)C2 ZINC000881921264 591278983 /nfs/dbraw/zinc/27/89/83/591278983.db2.gz MHCCFQSJXXHRED-UHFFFAOYSA-N 1 2 242.297 3.092 20 0 BGADLO Cc1cccc(F)c1CNc1nc[nH+]c(C)c1C ZINC000882028558 591288744 /nfs/dbraw/zinc/28/87/44/591288744.db2.gz XXQALCIQPVNXIF-UHFFFAOYSA-N 1 2 245.301 3.153 20 0 BGADLO CCOc1ccc(SCc2cn(C)c[nH+]2)cc1 ZINC000882086875 591295068 /nfs/dbraw/zinc/29/50/68/591295068.db2.gz HVAVDVBTWXIHIX-UHFFFAOYSA-N 1 2 248.351 3.111 20 0 BGADLO Cc1[nH+]cnc(N[C@H]2CCCC(F)(F)C2)c1C ZINC000882110960 591299681 /nfs/dbraw/zinc/29/96/81/591299681.db2.gz WEPRTRYDAMYBKX-JTQLQIEISA-N 1 2 241.285 3.083 20 0 BGADLO Cc1[nH+]cnc(N[C@@H]2CCCC(F)(F)C2)c1C ZINC000882110961 591299890 /nfs/dbraw/zinc/29/98/90/591299890.db2.gz WEPRTRYDAMYBKX-SNVBAGLBSA-N 1 2 241.285 3.083 20 0 BGADLO C[C@@H](SCc1cn(C)c[nH+]1)c1cccs1 ZINC000882121320 591300889 /nfs/dbraw/zinc/30/08/89/591300889.db2.gz GPEXJZGVMMONIV-SECBINFHSA-N 1 2 238.381 3.476 20 0 BGADLO C[C@H](SCc1cn(C)c[nH+]1)c1cccs1 ZINC000882121321 591301296 /nfs/dbraw/zinc/30/12/96/591301296.db2.gz GPEXJZGVMMONIV-VIFPVBQESA-N 1 2 238.381 3.476 20 0 BGADLO Cc1[nH+]cnc(NC2CCC(F)(F)CC2)c1C ZINC000882139887 591305123 /nfs/dbraw/zinc/30/51/23/591305123.db2.gz DURWERXBODSXDF-UHFFFAOYSA-N 1 2 241.285 3.083 20 0 BGADLO CC(C)C(C)(C)SCc1cn(C)c[nH+]1 ZINC000882156914 591308298 /nfs/dbraw/zinc/30/82/98/591308298.db2.gz MRTREYRMETZJNX-UHFFFAOYSA-N 1 2 212.362 3.088 20 0 BGADLO Cc1cc2[nH+]cn(CC[C@H](O)C(C)C)c2cc1C ZINC000882157214 591308412 /nfs/dbraw/zinc/30/84/12/591308412.db2.gz KGQWWZJSTJMSTE-HNNXBMFYSA-N 1 2 246.354 3.060 20 0 BGADLO Cc1cc2[nH+]cn(CC[C@@H](O)C(C)C)c2cc1C ZINC000882157215 583596228 /nfs/dbraw/zinc/59/62/28/583596228.db2.gz KGQWWZJSTJMSTE-OAHLLOKOSA-N 1 2 246.354 3.060 20 0 BGADLO CC(C)C(C)(C)SCc1ccc[nH+]c1N ZINC000882158186 591308363 /nfs/dbraw/zinc/30/83/63/591308363.db2.gz VQDGTOAIGIRWGI-UHFFFAOYSA-N 1 2 224.373 3.332 20 0 BGADLO Cn1c[nH+]c(CSCCSC(C)(C)C)c1 ZINC000882160233 591309000 /nfs/dbraw/zinc/30/90/00/591309000.db2.gz MDEBDBWDBDETLM-UHFFFAOYSA-N 1 2 244.429 3.185 20 0 BGADLO C/C(=C\Cl)CSCc1ccc[nH+]c1N ZINC000882161594 591309154 /nfs/dbraw/zinc/30/91/54/591309154.db2.gz KXXBUDHDODRZAU-VMPITWQZSA-N 1 2 228.748 3.040 20 0 BGADLO C/C(=C/Cl)CSCc1ccc[nH+]c1N ZINC000882161595 591309229 /nfs/dbraw/zinc/30/92/29/591309229.db2.gz KXXBUDHDODRZAU-YVMONPNESA-N 1 2 228.748 3.040 20 0 BGADLO Cc1ccc(SCc2cn(C)c[nH+]2)s1 ZINC000882174849 591310852 /nfs/dbraw/zinc/31/08/52/591310852.db2.gz KPMWRWRHUJAJEY-UHFFFAOYSA-N 1 2 224.354 3.082 20 0 BGADLO CC[C@H](CC(F)(F)F)Nc1nc[nH+]c(C)c1C ZINC000882187145 591313806 /nfs/dbraw/zinc/31/38/06/591313806.db2.gz GUHQPJVNRKPBER-SECBINFHSA-N 1 2 247.264 3.236 20 0 BGADLO CC[C@@H](CC(F)(F)F)Nc1nc[nH+]c(C)c1C ZINC000882187148 591312996 /nfs/dbraw/zinc/31/29/96/591312996.db2.gz GUHQPJVNRKPBER-VIFPVBQESA-N 1 2 247.264 3.236 20 0 BGADLO CSCCCCCNc1nc[nH+]c(C)c1C ZINC000882207700 591315772 /nfs/dbraw/zinc/31/57/72/591315772.db2.gz VTTVFLQFPLRRSU-UHFFFAOYSA-N 1 2 239.388 3.039 20 0 BGADLO Cc1cscc1CNc1nc[nH+]c(C)c1C ZINC000882273315 591323765 /nfs/dbraw/zinc/32/37/65/591323765.db2.gz DZZCPOZOIOVPRT-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO CCC(F)(F)Cn1c[nH+]c(C(C)(C)C)c1 ZINC000882280411 591326289 /nfs/dbraw/zinc/32/62/89/591326289.db2.gz CNENPAPJDDUKOJ-UHFFFAOYSA-N 1 2 216.275 3.226 20 0 BGADLO CC(C)(C)c1cn(C[C@H]2CCC3(CCC3)O2)c[nH+]1 ZINC000882280516 591326010 /nfs/dbraw/zinc/32/60/10/591326010.db2.gz FQTYFSCJESTYAL-GFCCVEGCSA-N 1 2 248.370 3.282 20 0 BGADLO CC(C)(C)c1cn(C[C@@H]2CCC3(CCC3)O2)c[nH+]1 ZINC000882280517 591325816 /nfs/dbraw/zinc/32/58/16/591325816.db2.gz FQTYFSCJESTYAL-LBPRGKRZSA-N 1 2 248.370 3.282 20 0 BGADLO Cc1[nH+]cnc(NCC(C)(C)C(F)(F)F)c1C ZINC000882317081 591329761 /nfs/dbraw/zinc/32/97/61/591329761.db2.gz AKKWSFKLVSLDEN-UHFFFAOYSA-N 1 2 247.264 3.094 20 0 BGADLO Cc1cc2sc(N3CCCC[NH2+]3)nc2c(C)c1 ZINC000882351531 591336686 /nfs/dbraw/zinc/33/66/86/591336686.db2.gz WGSBBPAAFSQWEX-UHFFFAOYSA-N 1 2 247.367 3.018 20 0 BGADLO Cc1csc(CNc2nc[nH+]c(C)c2C)c1 ZINC000882416165 583615612 /nfs/dbraw/zinc/61/56/12/583615612.db2.gz ADEOAEPXXYTDOG-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1[nH+]cnc(NC[C@H](C)CC(F)(F)F)c1C ZINC000882461368 591351849 /nfs/dbraw/zinc/35/18/49/591351849.db2.gz WTZCREXRRLGROY-SSDOTTSWSA-N 1 2 247.264 3.094 20 0 BGADLO Cc1[nH+]cnc(NC[C@@H](C)CC(F)(F)F)c1C ZINC000882461370 591351570 /nfs/dbraw/zinc/35/15/70/591351570.db2.gz WTZCREXRRLGROY-ZETCQYMHSA-N 1 2 247.264 3.094 20 0 BGADLO Cc1[nH+]cnc(N[C@@H]2C[C@H]2c2ccsc2)c1C ZINC000882660295 591407901 /nfs/dbraw/zinc/40/79/01/591407901.db2.gz QCACPHTWQUQPDP-NWDGAFQWSA-N 1 2 245.351 3.123 20 0 BGADLO Cc1scc(CNc2nc[nH+]c(C)c2C)c1C ZINC000882679923 591409878 /nfs/dbraw/zinc/40/98/78/591409878.db2.gz FPHDSPJCMUETFU-UHFFFAOYSA-N 1 2 247.367 3.384 20 0 BGADLO Cc1[nH+]cnc(NCC(C)(C)C(C)(F)F)c1C ZINC000882695096 591413061 /nfs/dbraw/zinc/41/30/61/591413061.db2.gz HKRPPPYGFGURHA-UHFFFAOYSA-N 1 2 243.301 3.187 20 0 BGADLO C[C@@H](O)c1ccc(NCC2(CC3CC3)CC2)[nH+]c1 ZINC000882773280 591434218 /nfs/dbraw/zinc/43/42/18/591434218.db2.gz HIMTVSLYIHVNMV-LLVKDONJSA-N 1 2 246.354 3.127 20 0 BGADLO C[C@H](O)c1ccc(NCC2(CC3CC3)CC2)[nH+]c1 ZINC000882773281 591434506 /nfs/dbraw/zinc/43/45/06/591434506.db2.gz HIMTVSLYIHVNMV-NSHDSACASA-N 1 2 246.354 3.127 20 0 BGADLO CCC[C@@H](C)CCNc1ccc([C@H](C)O)c[nH+]1 ZINC000882777513 591437153 /nfs/dbraw/zinc/43/71/53/591437153.db2.gz IHJMXAMKLPCTAB-NEPJUHHUSA-N 1 2 236.359 3.373 20 0 BGADLO CCC[C@H](C)CCNc1ccc([C@@H](C)O)c[nH+]1 ZINC000882777514 591436312 /nfs/dbraw/zinc/43/63/12/591436312.db2.gz IHJMXAMKLPCTAB-NWDGAFQWSA-N 1 2 236.359 3.373 20 0 BGADLO CCC[C@H](C)CCNc1ccc([C@H](C)O)c[nH+]1 ZINC000882777515 591436393 /nfs/dbraw/zinc/43/63/93/591436393.db2.gz IHJMXAMKLPCTAB-RYUDHWBXSA-N 1 2 236.359 3.373 20 0 BGADLO CCC[C@@H](C)CCNc1ccc([C@@H](C)O)c[nH+]1 ZINC000882777516 591435106 /nfs/dbraw/zinc/43/51/06/591435106.db2.gz IHJMXAMKLPCTAB-VXGBXAGGSA-N 1 2 236.359 3.373 20 0 BGADLO Cc1[nH+]cnc(NCC(C)(C)CC(F)F)c1C ZINC000882779190 591436838 /nfs/dbraw/zinc/43/68/38/591436838.db2.gz OTQSEGZZEOBHSI-UHFFFAOYSA-N 1 2 243.301 3.187 20 0 BGADLO CCc1cc(NCC(C)(C)CC(F)F)nc[nH+]1 ZINC000882779726 591436731 /nfs/dbraw/zinc/43/67/31/591436731.db2.gz GUKPIWOCMCOUOJ-UHFFFAOYSA-N 1 2 243.301 3.132 20 0 BGADLO COc1ccc[nH+]c1NCC(C)(C)CC(F)F ZINC000882780240 591436222 /nfs/dbraw/zinc/43/62/22/591436222.db2.gz XHSLNJJMKXEAOJ-UHFFFAOYSA-N 1 2 244.285 3.184 20 0 BGADLO CC(C)(CNc1cccc[nH+]1)CC(F)F ZINC000882783651 591437641 /nfs/dbraw/zinc/43/76/41/591437641.db2.gz GMJJTQZIFXOHIX-UHFFFAOYSA-N 1 2 214.259 3.175 20 0 BGADLO Cc1cc(NCC[C@@H]2CCCC2(F)F)nc[nH+]1 ZINC000882798790 591442231 /nfs/dbraw/zinc/44/22/31/591442231.db2.gz DMUCOQQUKXWYND-JTQLQIEISA-N 1 2 241.285 3.022 20 0 BGADLO Cc1cc(NCC[C@H]2CCCC2(F)F)nc[nH+]1 ZINC000882798791 591442742 /nfs/dbraw/zinc/44/27/42/591442742.db2.gz DMUCOQQUKXWYND-SNVBAGLBSA-N 1 2 241.285 3.022 20 0 BGADLO Cc1nc(NCC[C@@H]2CCCC2(F)F)cc[nH+]1 ZINC000882799453 591442402 /nfs/dbraw/zinc/44/24/02/591442402.db2.gz DKSWTUBCUQRTEL-JTQLQIEISA-N 1 2 241.285 3.022 20 0 BGADLO Cc1nc(NCC[C@H]2CCCC2(F)F)cc[nH+]1 ZINC000882799454 591442667 /nfs/dbraw/zinc/44/26/67/591442667.db2.gz DKSWTUBCUQRTEL-SNVBAGLBSA-N 1 2 241.285 3.022 20 0 BGADLO FC1(F)CCC[C@H]1CCNc1cccc[nH+]1 ZINC000882800323 591442813 /nfs/dbraw/zinc/44/28/13/591442813.db2.gz PHBOMPPYAATREJ-JTQLQIEISA-N 1 2 226.270 3.319 20 0 BGADLO FC1(F)CCC[C@@H]1CCNc1cccc[nH+]1 ZINC000882800324 591442964 /nfs/dbraw/zinc/44/29/64/591442964.db2.gz PHBOMPPYAATREJ-SNVBAGLBSA-N 1 2 226.270 3.319 20 0 BGADLO FC[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000882803843 591444998 /nfs/dbraw/zinc/44/49/98/591444998.db2.gz HQTMHDBCKTUHTL-GFCCVEGCSA-N 1 2 244.313 3.421 20 0 BGADLO FC[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000882803844 591445251 /nfs/dbraw/zinc/44/52/51/591445251.db2.gz HQTMHDBCKTUHTL-LBPRGKRZSA-N 1 2 244.313 3.421 20 0 BGADLO FC1CCN(c2[nH+]ccc3ccccc32)CC1 ZINC000882804535 591445146 /nfs/dbraw/zinc/44/51/46/591445146.db2.gz LYNCSMHVRRVOHO-UHFFFAOYSA-N 1 2 230.286 3.173 20 0 BGADLO Fc1ccc2c(cc[nH+]c2N2CCC(F)CC2)c1 ZINC000882805096 591444940 /nfs/dbraw/zinc/44/49/40/591444940.db2.gz MZILBCBWTIRNLY-UHFFFAOYSA-N 1 2 248.276 3.312 20 0 BGADLO FC1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000882805629 591444595 /nfs/dbraw/zinc/44/45/95/591444595.db2.gz NRWUHSOGRSYCSF-UHFFFAOYSA-N 1 2 248.223 3.039 20 0 BGADLO Fc1ccc2cc[nH+]c(N3CCC(F)CC3)c2c1 ZINC000882806289 591445515 /nfs/dbraw/zinc/44/55/15/591445515.db2.gz STCCRAVNAUTNIW-UHFFFAOYSA-N 1 2 248.276 3.312 20 0 BGADLO FC[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000882838216 591449907 /nfs/dbraw/zinc/44/99/07/591449907.db2.gz ASLJQFBXSDKRLW-LLVKDONJSA-N 1 2 230.286 3.031 20 0 BGADLO FC[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000882838217 591450274 /nfs/dbraw/zinc/45/02/74/591450274.db2.gz ASLJQFBXSDKRLW-NSHDSACASA-N 1 2 230.286 3.031 20 0 BGADLO FC[C@@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000882839552 591449869 /nfs/dbraw/zinc/44/98/69/591449869.db2.gz VBOABKFLKPBPAA-JTQLQIEISA-N 1 2 248.276 3.170 20 0 BGADLO FC[C@H]1CCN(c2[nH+]ccc3cc(F)ccc32)C1 ZINC000882839553 591450094 /nfs/dbraw/zinc/45/00/94/591450094.db2.gz VBOABKFLKPBPAA-SNVBAGLBSA-N 1 2 248.276 3.170 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CC[C@H](CF)C1 ZINC000882840684 591451134 /nfs/dbraw/zinc/45/11/34/591451134.db2.gz BQGPQQWETWHILX-GFCCVEGCSA-N 1 2 244.313 3.339 20 0 BGADLO Cc1cc2ccccc2[nH+]c1N1CC[C@@H](CF)C1 ZINC000882840685 591451239 /nfs/dbraw/zinc/45/12/39/591451239.db2.gz BQGPQQWETWHILX-LBPRGKRZSA-N 1 2 244.313 3.339 20 0 BGADLO FC[C@@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000882841516 591452600 /nfs/dbraw/zinc/45/26/00/591452600.db2.gz YGUVOVITXSINEP-JTQLQIEISA-N 1 2 248.276 3.170 20 0 BGADLO FC[C@H]1CCN(c2[nH+]ccc3ccc(F)cc32)C1 ZINC000882841517 591451915 /nfs/dbraw/zinc/45/19/15/591451915.db2.gz YGUVOVITXSINEP-SNVBAGLBSA-N 1 2 248.276 3.170 20 0 BGADLO Cc1ccccc1NCc1[nH]cc(C(C)C)[nH+]1 ZINC000882905654 591472868 /nfs/dbraw/zinc/47/28/68/591472868.db2.gz OGZIQEHYDYZGCJ-UHFFFAOYSA-N 1 2 229.327 3.454 20 0 BGADLO Cc1ccc(NCc2[nH]cc(C(C)C)[nH+]2)cc1 ZINC000882906529 591473444 /nfs/dbraw/zinc/47/34/44/591473444.db2.gz KXAYFFULGOWUTJ-UHFFFAOYSA-N 1 2 229.327 3.454 20 0 BGADLO COc1cccc(NCc2[nH]cc(C(C)C)[nH+]2)c1 ZINC000882906539 591473678 /nfs/dbraw/zinc/47/36/78/591473678.db2.gz LDKYKEYRGALJEN-UHFFFAOYSA-N 1 2 245.326 3.154 20 0 BGADLO CC(C)c1c[nH]c(CNc2ccc(F)cc2)[nH+]1 ZINC000882906555 591473475 /nfs/dbraw/zinc/47/34/75/591473475.db2.gz LTYLQKJEJQOTCI-UHFFFAOYSA-N 1 2 233.290 3.284 20 0 BGADLO CC(C)c1c[nH]c(CNc2cccc(F)c2)[nH+]1 ZINC000882906593 591473995 /nfs/dbraw/zinc/47/39/95/591473995.db2.gz NMLHYGPNYWRFJW-UHFFFAOYSA-N 1 2 233.290 3.284 20 0 BGADLO COc1ccc(NCc2[nH]cc(C(C)C)[nH+]2)cc1 ZINC000882906670 591473572 /nfs/dbraw/zinc/47/35/72/591473572.db2.gz QZGJVWBTTCDALZ-UHFFFAOYSA-N 1 2 245.326 3.154 20 0 BGADLO Cc1cccc(NCc2[nH]cc(C(C)C)[nH+]2)c1 ZINC000882906771 591473989 /nfs/dbraw/zinc/47/39/89/591473989.db2.gz VJTQBRMGGXOYAC-UHFFFAOYSA-N 1 2 229.327 3.454 20 0 BGADLO C[C@@H]1c2sccc2CCN1c1cc[nH+]cc1F ZINC000882913038 591474561 /nfs/dbraw/zinc/47/45/61/591474561.db2.gz IFQYSFZEVLSFMS-SECBINFHSA-N 1 2 248.326 3.406 20 0 BGADLO C[C@H]1c2sccc2CCN1c1cc[nH+]cc1F ZINC000882913039 591474502 /nfs/dbraw/zinc/47/45/02/591474502.db2.gz IFQYSFZEVLSFMS-VIFPVBQESA-N 1 2 248.326 3.406 20 0 BGADLO CC1(C)C[C@H](COc2cc[nH+]cc2)C(C)(C)O1 ZINC000882988272 591496950 /nfs/dbraw/zinc/49/69/50/591496950.db2.gz IDKIXBJMEDIVEG-LLVKDONJSA-N 1 2 235.327 3.054 20 0 BGADLO CC1(C)C[C@@H](COc2cc[nH+]cc2)C(C)(C)O1 ZINC000882988273 591495765 /nfs/dbraw/zinc/49/57/65/591495765.db2.gz IDKIXBJMEDIVEG-NSHDSACASA-N 1 2 235.327 3.054 20 0 BGADLO FC1(F)CCC[C@H]1CCOc1cc[nH+]cc1 ZINC000882988373 591496219 /nfs/dbraw/zinc/49/62/19/591496219.db2.gz MRPZVYDWCRJWNX-JTQLQIEISA-N 1 2 227.254 3.286 20 0 BGADLO FC1(F)CCC[C@@H]1CCOc1cc[nH+]cc1 ZINC000882988374 591496583 /nfs/dbraw/zinc/49/65/83/591496583.db2.gz MRPZVYDWCRJWNX-SNVBAGLBSA-N 1 2 227.254 3.286 20 0 BGADLO CC(C)c1c[nH]c(CNc2ccccc2F)[nH+]1 ZINC000883051921 591529581 /nfs/dbraw/zinc/52/95/81/591529581.db2.gz SWSOIVMOCPFGJM-UHFFFAOYSA-N 1 2 233.290 3.284 20 0 BGADLO CC(C)([NH2+]Cc1cccc(Cl)c1N)C(F)F ZINC000883107075 591540908 /nfs/dbraw/zinc/54/09/08/591540908.db2.gz NEWLYBGDQKFYKH-UHFFFAOYSA-N 1 2 248.704 3.056 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2CCCC3(CC3)C2)c1 ZINC000883233868 591581589 /nfs/dbraw/zinc/58/15/89/591581589.db2.gz QRXRKKVAEAKJQS-CYBMUJFWSA-N 1 2 246.354 3.363 20 0 BGADLO COCc1cc[nH+]c(N[C@H]2CCCC3(CC3)C2)c1 ZINC000883233869 591581364 /nfs/dbraw/zinc/58/13/64/591581364.db2.gz QRXRKKVAEAKJQS-ZDUSSCGKSA-N 1 2 246.354 3.363 20 0 BGADLO CCSc1ccc(C[NH2+]Cc2cocn2)cc1 ZINC000883236308 591582470 /nfs/dbraw/zinc/58/24/70/591582470.db2.gz YKLPKVAFSNTBGZ-UHFFFAOYSA-N 1 2 248.351 3.076 20 0 BGADLO CC(C)(C)c1ccc(NCc2[nH]cc[nH+]2)cc1F ZINC000883323818 591615798 /nfs/dbraw/zinc/61/57/98/591615798.db2.gz ZPRWYKYXJBCHSN-UHFFFAOYSA-N 1 2 247.317 3.458 20 0 BGADLO Cc1cc(NCc2nc(C(C)C)c[nH]2)c[nH+]c1C ZINC000883340913 591617203 /nfs/dbraw/zinc/61/72/03/591617203.db2.gz CLTAEBJBXJKOJK-UHFFFAOYSA-N 1 2 244.342 3.157 20 0 BGADLO Cc1cc(NCc2nccn2C(C)C)c[nH+]c1C ZINC000883340974 591620465 /nfs/dbraw/zinc/62/04/65/591620465.db2.gz DYAPXCVQJRWMCG-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO Cc1cc(CNc2c[nH+]c(C)c(C)c2)sn1 ZINC000883340993 591620185 /nfs/dbraw/zinc/62/01/85/591620185.db2.gz FHIHSRCXYMIBSR-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1cc(N[C@H](C)c2cncc(F)c2)c[nH+]c1C ZINC000883341014 591620319 /nfs/dbraw/zinc/62/03/19/591620319.db2.gz GFYFJOBIKCKGBG-LLVKDONJSA-N 1 2 245.301 3.406 20 0 BGADLO Cc1cc(N[C@@H](C)c2cncc(F)c2)c[nH+]c1C ZINC000883341015 591620665 /nfs/dbraw/zinc/62/06/65/591620665.db2.gz GFYFJOBIKCKGBG-NSHDSACASA-N 1 2 245.301 3.406 20 0 BGADLO CCc1cnc(CNc2c[nH+]c(C)c(C)c2)s1 ZINC000883341093 591619758 /nfs/dbraw/zinc/61/97/58/591619758.db2.gz ICIAJMSYVPWINH-UHFFFAOYSA-N 1 2 247.367 3.329 20 0 BGADLO Cc1cc(NCc2ccc(F)nc2C)c[nH+]c1C ZINC000883341134 591620894 /nfs/dbraw/zinc/62/08/94/591620894.db2.gz JFNMKHNXDBOPFR-UHFFFAOYSA-N 1 2 245.301 3.153 20 0 BGADLO Cc1ccncc1CNc1c[nH+]c(C)c(C)c1 ZINC000883341226 591620247 /nfs/dbraw/zinc/62/02/47/591620247.db2.gz KUYXHWNOXIGOBR-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1occc1CNc1c[nH+]c(C)c(C)c1 ZINC000883341263 591620910 /nfs/dbraw/zinc/62/09/10/591620910.db2.gz LRDWBCSFLXAVHQ-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO Cc1cc(NC2CCSCC2)c[nH+]c1C ZINC000883341264 591620700 /nfs/dbraw/zinc/62/07/00/591620700.db2.gz LTHDFTKDBVBLTG-UHFFFAOYSA-N 1 2 222.357 3.006 20 0 BGADLO Cc1cc(NCc2ccnn2C(C)C)c[nH+]c1C ZINC000883341341 591619745 /nfs/dbraw/zinc/61/97/45/591619745.db2.gz NSIJOZKEZBCYTR-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO COc1ccsc1CNc1c[nH+]c(C)c(C)c1 ZINC000883341416 591619840 /nfs/dbraw/zinc/61/98/40/591619840.db2.gz PKBPIFMKJDQGPW-UHFFFAOYSA-N 1 2 248.351 3.381 20 0 BGADLO Cc1cc(NCc2cnc(C3CC3)o2)c[nH+]c1C ZINC000883341488 591620806 /nfs/dbraw/zinc/62/08/06/591620806.db2.gz RHBZZZGWDZQYRC-UHFFFAOYSA-N 1 2 243.310 3.176 20 0 BGADLO Cc1cnccc1CNc1c[nH+]c(C)c(C)c1 ZINC000883341505 591620887 /nfs/dbraw/zinc/62/08/87/591620887.db2.gz ROBHEHXQQURACN-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1ccc(CNc2c[nH+]c(C)c(C)c2)cn1 ZINC000883341548 591619647 /nfs/dbraw/zinc/61/96/47/591619647.db2.gz SWLUBKDDVPAJDK-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO CC[C@@H]1C[C@@H](CNc2c[nH+]c(C)c(C)c2)CCO1 ZINC000883341558 591620404 /nfs/dbraw/zinc/62/04/04/591620404.db2.gz TUMSFLAQTKZVAK-DZGCQCFKSA-N 1 2 248.370 3.316 20 0 BGADLO CC[C@H]1C[C@H](CNc2c[nH+]c(C)c(C)c2)CCO1 ZINC000883341559 591620486 /nfs/dbraw/zinc/62/04/86/591620486.db2.gz TUMSFLAQTKZVAK-HIFRSBDPSA-N 1 2 248.370 3.316 20 0 BGADLO CC[C@@H]1C[C@H](CNc2c[nH+]c(C)c(C)c2)CCO1 ZINC000883341560 591620199 /nfs/dbraw/zinc/62/01/99/591620199.db2.gz TUMSFLAQTKZVAK-UKRRQHHQSA-N 1 2 248.370 3.316 20 0 BGADLO CC[C@H]1C[C@@H](CNc2c[nH+]c(C)c(C)c2)CCO1 ZINC000883341561 591620369 /nfs/dbraw/zinc/62/03/69/591620369.db2.gz TUMSFLAQTKZVAK-ZFWWWQNUSA-N 1 2 248.370 3.316 20 0 BGADLO CCC1(CNc2c[nH+]c(C)c(C)c2)CCOCC1 ZINC000883341615 591620456 /nfs/dbraw/zinc/62/04/56/591620456.db2.gz VNDLLABICVSFSQ-UHFFFAOYSA-N 1 2 248.370 3.317 20 0 BGADLO Cc1cc(N[C@@H]2CCCSC2)c[nH+]c1C ZINC000883341643 591620415 /nfs/dbraw/zinc/62/04/15/591620415.db2.gz WLIRDPNDNFOPJC-LLVKDONJSA-N 1 2 222.357 3.006 20 0 BGADLO Cc1cc(N[C@H]2CCCSC2)c[nH+]c1C ZINC000883341644 591620008 /nfs/dbraw/zinc/62/00/08/591620008.db2.gz WLIRDPNDNFOPJC-NSHDSACASA-N 1 2 222.357 3.006 20 0 BGADLO COCc1ccc(CNc2c[nH+]c(C)c(C)c2)o1 ZINC000883341668 591620943 /nfs/dbraw/zinc/62/09/43/591620943.db2.gz XEBFAAJRIBAOJH-UHFFFAOYSA-N 1 2 246.310 3.050 20 0 BGADLO Cc1cnc(CNc2c[nH+]c(C)c(C)c2)s1 ZINC000883341701 591620001 /nfs/dbraw/zinc/62/00/01/591620001.db2.gz XVGFHUJEOSWGNL-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1cc(N[C@H](C)c2ccco2)c[nH+]c1C ZINC000883341767 591619989 /nfs/dbraw/zinc/61/99/89/591619989.db2.gz ZECVXWHIHJWIGB-LLVKDONJSA-N 1 2 216.284 3.465 20 0 BGADLO Cc1cc(N[C@@H](C)c2ccco2)c[nH+]c1C ZINC000883341768 591620957 /nfs/dbraw/zinc/62/09/57/591620957.db2.gz ZECVXWHIHJWIGB-NSHDSACASA-N 1 2 216.284 3.465 20 0 BGADLO Cc1ccc(CNc2c[nH+]c(C)c(C)c2)o1 ZINC000883341841 591619940 /nfs/dbraw/zinc/61/99/40/591619940.db2.gz BCFDIJVGCBJKPI-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO Cc1cc(NCc2cccnc2C)c[nH+]c1C ZINC000883341864 591620951 /nfs/dbraw/zinc/62/09/51/591620951.db2.gz BZIPWRUSKQBJGS-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1cc(NCc2cccs2)c[nH+]c1C ZINC000883341900 591618134 /nfs/dbraw/zinc/61/81/34/591618134.db2.gz DATIKXJMQOIVIE-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1ccc(CNc2c[nH+]c(C)c(C)c2)nc1 ZINC000883341911 591620758 /nfs/dbraw/zinc/62/07/58/591620758.db2.gz DMDMHTBRAKFTAX-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1cc(NCc2ccsc2)c[nH+]c1C ZINC000883341925 591620789 /nfs/dbraw/zinc/62/07/89/591620789.db2.gz DZXXJOMRGYDFQO-UHFFFAOYSA-N 1 2 218.325 3.372 20 0 BGADLO Cc1nc(C)c(CNc2c[nH+]c(C)c(C)c2)s1 ZINC000883341974 591620480 /nfs/dbraw/zinc/62/04/80/591620480.db2.gz GJDLCBMVRFVZDQ-UHFFFAOYSA-N 1 2 247.367 3.384 20 0 BGADLO Cc1cc(N[C@@H](C)c2nccs2)c[nH+]c1C ZINC000883341984 591619927 /nfs/dbraw/zinc/61/99/27/591619927.db2.gz GUXYNYYKPSJHCJ-JTQLQIEISA-N 1 2 233.340 3.328 20 0 BGADLO Cc1cc(N[C@H](C)c2nccs2)c[nH+]c1C ZINC000883341985 591620265 /nfs/dbraw/zinc/62/02/65/591620265.db2.gz GUXYNYYKPSJHCJ-SNVBAGLBSA-N 1 2 233.340 3.328 20 0 BGADLO COc1ccc(CNc2c[nH+]c(C)c(C)c2)cc1 ZINC000883341991 591620545 /nfs/dbraw/zinc/62/05/45/591620545.db2.gz GYOVZNFQTRQBEO-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1csc(CNc2c[nH+]c(C)c(C)c2)n1 ZINC000883342009 591620032 /nfs/dbraw/zinc/62/00/32/591620032.db2.gz HMTYLORLFQFOQX-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1cc(N[C@H](C)c2ccoc2)c[nH+]c1C ZINC000883342023 591622302 /nfs/dbraw/zinc/62/23/02/591622302.db2.gz HYMYWXRSQQXMIR-LLVKDONJSA-N 1 2 216.284 3.465 20 0 BGADLO Cc1cc(N[C@@H](C)c2ccoc2)c[nH+]c1C ZINC000883342024 591621753 /nfs/dbraw/zinc/62/17/53/591621753.db2.gz HYMYWXRSQQXMIR-NSHDSACASA-N 1 2 216.284 3.465 20 0 BGADLO Cc1nc(CNc2c[nH+]c(C)c(C)c2)cs1 ZINC000883342052 591621399 /nfs/dbraw/zinc/62/13/99/591621399.db2.gz JGHXGFJOSVUBLV-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1cc(N[C@@H](C)c2cscn2)c[nH+]c1C ZINC000883342058 591621710 /nfs/dbraw/zinc/62/17/10/591621710.db2.gz JIQFMDHXXOEXHD-JTQLQIEISA-N 1 2 233.340 3.328 20 0 BGADLO Cc1cc(N[C@H](C)c2cscn2)c[nH+]c1C ZINC000883342059 591621699 /nfs/dbraw/zinc/62/16/99/591621699.db2.gz JIQFMDHXXOEXHD-SNVBAGLBSA-N 1 2 233.340 3.328 20 0 BGADLO COc1ccccc1CNc1c[nH+]c(C)c(C)c1 ZINC000883342083 591622321 /nfs/dbraw/zinc/62/23/21/591622321.db2.gz JWVASIXOCCVRHN-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO Cc1cc(N[C@H]2CCO[C@@H](C(C)C)C2)c[nH+]c1C ZINC000883342123 591621830 /nfs/dbraw/zinc/62/18/30/591621830.db2.gz LKXGHICWBPVXLM-DZGCQCFKSA-N 1 2 248.370 3.314 20 0 BGADLO Cc1cc(N[C@@H]2CCO[C@H](C(C)C)C2)c[nH+]c1C ZINC000883342124 591622364 /nfs/dbraw/zinc/62/23/64/591622364.db2.gz LKXGHICWBPVXLM-HIFRSBDPSA-N 1 2 248.370 3.314 20 0 BGADLO Cc1cc(N[C@@H]2CCO[C@@H](C(C)C)C2)c[nH+]c1C ZINC000883342125 591621943 /nfs/dbraw/zinc/62/19/43/591621943.db2.gz LKXGHICWBPVXLM-UKRRQHHQSA-N 1 2 248.370 3.314 20 0 BGADLO Cc1cc(N[C@H]2CCO[C@H](C(C)C)C2)c[nH+]c1C ZINC000883342126 591622316 /nfs/dbraw/zinc/62/23/16/591622316.db2.gz LKXGHICWBPVXLM-ZFWWWQNUSA-N 1 2 248.370 3.314 20 0 BGADLO Cc1ccoc1CNc1c[nH+]c(C)c(C)c1 ZINC000883342146 591622215 /nfs/dbraw/zinc/62/22/15/591622215.db2.gz LVVXTHGUVRMWLR-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO Cc1cc(N[C@H](C)c2ccncc2)c[nH+]c1C ZINC000883342170 591622338 /nfs/dbraw/zinc/62/23/38/591622338.db2.gz NBWJRFHDRUUBNH-GFCCVEGCSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1cc(N[C@@H](C)c2ccncc2)c[nH+]c1C ZINC000883342171 591621347 /nfs/dbraw/zinc/62/13/47/591621347.db2.gz NBWJRFHDRUUBNH-LBPRGKRZSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1cc(N[C@H](C)c2cccnc2)c[nH+]c1C ZINC000883342200 591621598 /nfs/dbraw/zinc/62/15/98/591621598.db2.gz OAJYYGWMTSFALE-GFCCVEGCSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1cc(N[C@@H](C)c2cccnc2)c[nH+]c1C ZINC000883342201 591622289 /nfs/dbraw/zinc/62/22/89/591622289.db2.gz OAJYYGWMTSFALE-LBPRGKRZSA-N 1 2 227.311 3.267 20 0 BGADLO CC[C@H](Nc1c[nH+]c(C)c(C)c1)C1CCOCC1 ZINC000883342223 591621293 /nfs/dbraw/zinc/62/12/93/591621293.db2.gz PBUKEGJLWYFDOV-HNNXBMFYSA-N 1 2 248.370 3.316 20 0 BGADLO CC[C@@H](Nc1c[nH+]c(C)c(C)c1)C1CCOCC1 ZINC000883342224 591621445 /nfs/dbraw/zinc/62/14/45/591621445.db2.gz PBUKEGJLWYFDOV-OAHLLOKOSA-N 1 2 248.370 3.316 20 0 BGADLO Cc1cc(N[C@@H](C)c2cncs2)c[nH+]c1C ZINC000883342229 591622023 /nfs/dbraw/zinc/62/20/23/591622023.db2.gz PFTAHIZPHZQDKP-JTQLQIEISA-N 1 2 233.340 3.328 20 0 BGADLO Cc1cc(N[C@H](C)c2cncs2)c[nH+]c1C ZINC000883342230 591619105 /nfs/dbraw/zinc/61/91/05/591619105.db2.gz PFTAHIZPHZQDKP-SNVBAGLBSA-N 1 2 233.340 3.328 20 0 BGADLO COc1cccc(CNc2c[nH+]c(C)c(C)c2)c1 ZINC000883342257 591621610 /nfs/dbraw/zinc/62/16/10/591621610.db2.gz QQDUNKXURSXDIP-UHFFFAOYSA-N 1 2 242.322 3.319 20 0 BGADLO CCc1ncc(CNc2c[nH+]c(C)c(C)c2)s1 ZINC000883342258 591622008 /nfs/dbraw/zinc/62/20/08/591622008.db2.gz QRPLZVDBHSGTRE-UHFFFAOYSA-N 1 2 247.367 3.329 20 0 BGADLO Cc1cc(NCc2cnn(C(C)C)c2)c[nH+]c1C ZINC000883342308 591621991 /nfs/dbraw/zinc/62/19/91/591621991.db2.gz SDYWNFPSAUCGCB-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO Cc1cc(N[C@H](C)c2ccccn2)c[nH+]c1C ZINC000883342361 591621175 /nfs/dbraw/zinc/62/11/75/591621175.db2.gz UJZXUJQONJFULW-GFCCVEGCSA-N 1 2 227.311 3.267 20 0 BGADLO Cc1cc(N[C@@H](C)c2ccccn2)c[nH+]c1C ZINC000883342362 591619446 /nfs/dbraw/zinc/61/94/46/591619446.db2.gz UJZXUJQONJFULW-LBPRGKRZSA-N 1 2 227.311 3.267 20 0 BGADLO CCn1cc([C@@H](C)Nc2c[nH+]c(C)c(C)c2)cn1 ZINC000883342385 591621986 /nfs/dbraw/zinc/62/19/86/591621986.db2.gz VGCNUCRQIWPNDK-GFCCVEGCSA-N 1 2 244.342 3.088 20 0 BGADLO CCn1cc([C@H](C)Nc2c[nH+]c(C)c(C)c2)cn1 ZINC000883342386 591621631 /nfs/dbraw/zinc/62/16/31/591621631.db2.gz VGCNUCRQIWPNDK-LBPRGKRZSA-N 1 2 244.342 3.088 20 0 BGADLO Cc1cc(N[C@H](C)c2ccc(F)cn2)c[nH+]c1C ZINC000883342398 591622242 /nfs/dbraw/zinc/62/22/42/591622242.db2.gz WHLXRKGEOOHGER-LLVKDONJSA-N 1 2 245.301 3.406 20 0 BGADLO Cc1cc(N[C@@H](C)c2ccc(F)cn2)c[nH+]c1C ZINC000883342399 591621503 /nfs/dbraw/zinc/62/15/03/591621503.db2.gz WHLXRKGEOOHGER-NSHDSACASA-N 1 2 245.301 3.406 20 0 BGADLO Cc1ncc(CNc2c[nH+]c(C)c(C)c2)s1 ZINC000883342400 591622413 /nfs/dbraw/zinc/62/24/13/591622413.db2.gz WJBQUDMPLDAMKV-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1ncsc1CNc1c[nH+]c(C)c(C)c1 ZINC000883342406 591621480 /nfs/dbraw/zinc/62/14/80/591621480.db2.gz WNPLSYJPZXUDCU-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO CCc1nc(CNc2c[nH+]c(C)c(C)c2)cs1 ZINC000883342420 591621617 /nfs/dbraw/zinc/62/16/17/591621617.db2.gz WZIKGCLMGQVBKH-UHFFFAOYSA-N 1 2 247.367 3.329 20 0 BGADLO Cc1cc(N[C@H](C)CC2CCOCC2)c[nH+]c1C ZINC000883342423 591618686 /nfs/dbraw/zinc/61/86/86/591618686.db2.gz XDMYMSOQFQEKLM-GFCCVEGCSA-N 1 2 248.370 3.316 20 0 BGADLO Cc1cc(N[C@@H](C)CC2CCOCC2)c[nH+]c1C ZINC000883342424 591618619 /nfs/dbraw/zinc/61/86/19/591618619.db2.gz XDMYMSOQFQEKLM-LBPRGKRZSA-N 1 2 248.370 3.316 20 0 BGADLO Cc1cc(N[C@@H]2CCOC(C)(C)C2)c[nH+]c1C ZINC000883342493 591622144 /nfs/dbraw/zinc/62/21/44/591622144.db2.gz AGVJHMOYKVJNKW-GFCCVEGCSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(N[C@H]2CCOC(C)(C)C2)c[nH+]c1C ZINC000883342494 591622397 /nfs/dbraw/zinc/62/23/97/591622397.db2.gz AGVJHMOYKVJNKW-LBPRGKRZSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(N[C@H]2C[C@@H](C)O[C@@H](C)C2)c[nH+]c1C ZINC000883342495 591622236 /nfs/dbraw/zinc/62/22/36/591622236.db2.gz AMATWBJBRWXHEW-PJXYFTJBSA-N 1 2 234.343 3.066 20 0 BGADLO Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c[nH+]c1C ZINC000883342496 591621188 /nfs/dbraw/zinc/62/11/88/591621188.db2.gz AMATWBJBRWXHEW-PTEHBNRSSA-N 1 2 234.343 3.066 20 0 BGADLO CCOC1CCC(Nc2c[nH+]c(C)c(C)c2)CC1 ZINC000883342501 591621437 /nfs/dbraw/zinc/62/14/37/591621437.db2.gz APBODMYDFYQSSG-UHFFFAOYSA-N 1 2 248.370 3.458 20 0 BGADLO Cc1cc(N[C@@H](C)[C@@]2(C)CCCO2)c[nH+]c1C ZINC000883342507 591622433 /nfs/dbraw/zinc/62/24/33/591622433.db2.gz AVMOMUYIJZNEGW-GXTWGEPZSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(N[C@@H](C)[C@]2(C)CCCO2)c[nH+]c1C ZINC000883342508 591622201 /nfs/dbraw/zinc/62/22/01/591622201.db2.gz AVMOMUYIJZNEGW-JSGCOSHPSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(N[C@H](C)[C@]2(C)CCCO2)c[nH+]c1C ZINC000883342509 591621881 /nfs/dbraw/zinc/62/18/81/591621881.db2.gz AVMOMUYIJZNEGW-OCCSQVGLSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(N[C@H](C)[C@@]2(C)CCCO2)c[nH+]c1C ZINC000883342510 591621361 /nfs/dbraw/zinc/62/13/61/591621361.db2.gz AVMOMUYIJZNEGW-TZMCWYRMSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(NC2CC(CF)(CF)C2)c[nH+]c1C ZINC000883342513 591622379 /nfs/dbraw/zinc/62/23/79/591622379.db2.gz BCWWKYVEYDATIN-UHFFFAOYSA-N 1 2 240.297 3.198 20 0 BGADLO Cc1cc(N[C@H]2C[C@H](C)n3ccnc32)c[nH+]c1C ZINC000883342514 591621212 /nfs/dbraw/zinc/62/12/12/591621212.db2.gz BFCZYRTXPMVOBZ-GWCFXTLKSA-N 1 2 242.326 3.013 20 0 BGADLO Cc1cc(N[C@@H]2C[C@H](C)n3ccnc32)c[nH+]c1C ZINC000883342515 591621172 /nfs/dbraw/zinc/62/11/72/591621172.db2.gz BFCZYRTXPMVOBZ-GXFFZTMASA-N 1 2 242.326 3.013 20 0 BGADLO Cc1cc(N[C@H]2C[C@@H](C)n3ccnc32)c[nH+]c1C ZINC000883342516 591622038 /nfs/dbraw/zinc/62/20/38/591622038.db2.gz BFCZYRTXPMVOBZ-MFKMUULPSA-N 1 2 242.326 3.013 20 0 BGADLO Cc1cc(N[C@@H]2C[C@@H](C)n3ccnc32)c[nH+]c1C ZINC000883342517 591621804 /nfs/dbraw/zinc/62/18/04/591621804.db2.gz BFCZYRTXPMVOBZ-ZWNOBZJWSA-N 1 2 242.326 3.013 20 0 BGADLO CCn1ccnc1[C@@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342525 591621459 /nfs/dbraw/zinc/62/14/59/591621459.db2.gz BNNYQNJULAYNRQ-GFCCVEGCSA-N 1 2 244.342 3.088 20 0 BGADLO CCn1ccnc1[C@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000883342526 591621862 /nfs/dbraw/zinc/62/18/62/591621862.db2.gz BNNYQNJULAYNRQ-LBPRGKRZSA-N 1 2 244.342 3.088 20 0 BGADLO CC[C@@H](Nc1c[nH+]c(C)c(C)c1)[C@H]1CCCOC1 ZINC000883342570 591621814 /nfs/dbraw/zinc/62/18/14/591621814.db2.gz DEVKGDAFMATEQS-DZGCQCFKSA-N 1 2 248.370 3.316 20 0 BGADLO CC[C@H](Nc1c[nH+]c(C)c(C)c1)[C@@H]1CCCOC1 ZINC000883342571 591621408 /nfs/dbraw/zinc/62/14/08/591621408.db2.gz DEVKGDAFMATEQS-HIFRSBDPSA-N 1 2 248.370 3.316 20 0 BGADLO CC[C@@H](Nc1c[nH+]c(C)c(C)c1)[C@@H]1CCCOC1 ZINC000883342572 591621586 /nfs/dbraw/zinc/62/15/86/591621586.db2.gz DEVKGDAFMATEQS-UKRRQHHQSA-N 1 2 248.370 3.316 20 0 BGADLO CC[C@H](Nc1c[nH+]c(C)c(C)c1)[C@H]1CCCOC1 ZINC000883342573 591622027 /nfs/dbraw/zinc/62/20/27/591622027.db2.gz DEVKGDAFMATEQS-ZFWWWQNUSA-N 1 2 248.370 3.316 20 0 BGADLO COCC1CCC(Nc2c[nH+]c(C)c(C)c2)CC1 ZINC000883342588 591621193 /nfs/dbraw/zinc/62/11/93/591621193.db2.gz FEWCTFPEYOMRFI-UHFFFAOYSA-N 1 2 248.370 3.316 20 0 BGADLO CC[C@@H]1C[C@@H](Nc2c[nH+]c(C)c(C)c2)CCO1 ZINC000883342600 591621272 /nfs/dbraw/zinc/62/12/72/591621272.db2.gz FMVQUFQBFDLDIH-GXTWGEPZSA-N 1 2 234.343 3.068 20 0 BGADLO CC[C@H]1C[C@@H](Nc2c[nH+]c(C)c(C)c2)CCO1 ZINC000883342601 591621258 /nfs/dbraw/zinc/62/12/58/591621258.db2.gz FMVQUFQBFDLDIH-JSGCOSHPSA-N 1 2 234.343 3.068 20 0 BGADLO CC[C@H]1C[C@H](Nc2c[nH+]c(C)c(C)c2)CCO1 ZINC000883342602 591621220 /nfs/dbraw/zinc/62/12/20/591621220.db2.gz FMVQUFQBFDLDIH-OCCSQVGLSA-N 1 2 234.343 3.068 20 0 BGADLO CC[C@@H]1C[C@H](Nc2c[nH+]c(C)c(C)c2)CCO1 ZINC000883342603 591621473 /nfs/dbraw/zinc/62/14/73/591621473.db2.gz FMVQUFQBFDLDIH-TZMCWYRMSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(N[C@@H](C)[C@H]2CCCCO2)c[nH+]c1C ZINC000883342628 591621514 /nfs/dbraw/zinc/62/15/14/591621514.db2.gz GLMIGBZNVWGGPN-GXTWGEPZSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(N[C@@H](C)[C@@H]2CCCCO2)c[nH+]c1C ZINC000883342629 591622279 /nfs/dbraw/zinc/62/22/79/591622279.db2.gz GLMIGBZNVWGGPN-JSGCOSHPSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(N[C@H](C)[C@@H]2CCCCO2)c[nH+]c1C ZINC000883342630 591622138 /nfs/dbraw/zinc/62/21/38/591622138.db2.gz GLMIGBZNVWGGPN-OCCSQVGLSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(N[C@H](C)[C@H]2CCCCO2)c[nH+]c1C ZINC000883342631 591621722 /nfs/dbraw/zinc/62/17/22/591621722.db2.gz GLMIGBZNVWGGPN-TZMCWYRMSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(N[C@H]2CCC23CCOCC3)c[nH+]c1C ZINC000883342640 591621163 /nfs/dbraw/zinc/62/11/63/591621163.db2.gz GVLACHSHZAUYDJ-AWEZNQCLSA-N 1 2 246.354 3.070 20 0 BGADLO Cc1cc(N[C@@H]2CCC23CCOCC3)c[nH+]c1C ZINC000883342641 591621604 /nfs/dbraw/zinc/62/16/04/591621604.db2.gz GVLACHSHZAUYDJ-CQSZACIVSA-N 1 2 246.354 3.070 20 0 BGADLO COCC[C@@H]1CCC[C@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000883342644 591621227 /nfs/dbraw/zinc/62/12/27/591621227.db2.gz GWXJNVZAAXGDLY-DZGCQCFKSA-N 1 2 248.370 3.316 20 0 BGADLO COCC[C@H]1CCC[C@@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000883342645 591621950 /nfs/dbraw/zinc/62/19/50/591621950.db2.gz GWXJNVZAAXGDLY-HIFRSBDPSA-N 1 2 248.370 3.316 20 0 BGADLO COCC[C@H]1CCC[C@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000883342646 591621934 /nfs/dbraw/zinc/62/19/34/591621934.db2.gz GWXJNVZAAXGDLY-UKRRQHHQSA-N 1 2 248.370 3.316 20 0 BGADLO COCC[C@@H]1CCC[C@@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000883342647 591622326 /nfs/dbraw/zinc/62/23/26/591622326.db2.gz GWXJNVZAAXGDLY-ZFWWWQNUSA-N 1 2 248.370 3.316 20 0 BGADLO Cc1cc(N[C@@H]2CCOC3(CCC3)C2)c[nH+]c1C ZINC000883342740 591622427 /nfs/dbraw/zinc/62/24/27/591622427.db2.gz JZCUZHBLLPWQTJ-CYBMUJFWSA-N 1 2 246.354 3.212 20 0 BGADLO Cc1cc(N[C@H]2CCOC3(CCC3)C2)c[nH+]c1C ZINC000883342741 591622330 /nfs/dbraw/zinc/62/23/30/591622330.db2.gz JZCUZHBLLPWQTJ-ZDUSSCGKSA-N 1 2 246.354 3.212 20 0 BGADLO Cc1cc([C@@H](C)Nc2c[nH+]c(C)c(C)c2)no1 ZINC000883342800 591622937 /nfs/dbraw/zinc/62/29/37/591622937.db2.gz MWKOXAPSCQAJSR-LLVKDONJSA-N 1 2 231.299 3.168 20 0 BGADLO Cc1cc([C@H](C)Nc2c[nH+]c(C)c(C)c2)no1 ZINC000883342801 591623707 /nfs/dbraw/zinc/62/37/07/591623707.db2.gz MWKOXAPSCQAJSR-NSHDSACASA-N 1 2 231.299 3.168 20 0 BGADLO Cc1cc(N[C@@H](C)CSCCF)c[nH+]c1C ZINC000883342829 591622871 /nfs/dbraw/zinc/62/28/71/591622871.db2.gz NLSUMBZCKZRDAM-JTQLQIEISA-N 1 2 242.363 3.202 20 0 BGADLO Cc1cc(N[C@H](C)CSCCF)c[nH+]c1C ZINC000883342830 591622924 /nfs/dbraw/zinc/62/29/24/591622924.db2.gz NLSUMBZCKZRDAM-SNVBAGLBSA-N 1 2 242.363 3.202 20 0 BGADLO COC1([C@@H](C)Nc2c[nH+]c(C)c(C)c2)CCC1 ZINC000883342925 591623720 /nfs/dbraw/zinc/62/37/20/591623720.db2.gz REQFKBROPJMEDP-GFCCVEGCSA-N 1 2 234.343 3.068 20 0 BGADLO COC1([C@H](C)Nc2c[nH+]c(C)c(C)c2)CCC1 ZINC000883342926 591623532 /nfs/dbraw/zinc/62/35/32/591623532.db2.gz REQFKBROPJMEDP-LBPRGKRZSA-N 1 2 234.343 3.068 20 0 BGADLO CO[C@@H]1CCC[C@H](Nc2c[nH+]c(C)c(C)c2)C1 ZINC000883342946 591623286 /nfs/dbraw/zinc/62/32/86/591623286.db2.gz RYFPAFCKDRQQIF-GXTWGEPZSA-N 1 2 234.343 3.068 20 0 BGADLO CO[C@H]1CCC[C@H](Nc2c[nH+]c(C)c(C)c2)C1 ZINC000883342947 591623578 /nfs/dbraw/zinc/62/35/78/591623578.db2.gz RYFPAFCKDRQQIF-JSGCOSHPSA-N 1 2 234.343 3.068 20 0 BGADLO CO[C@H]1CCC[C@@H](Nc2c[nH+]c(C)c(C)c2)C1 ZINC000883342948 591623069 /nfs/dbraw/zinc/62/30/69/591623069.db2.gz RYFPAFCKDRQQIF-OCCSQVGLSA-N 1 2 234.343 3.068 20 0 BGADLO CO[C@@H]1CCC[C@@H](Nc2c[nH+]c(C)c(C)c2)C1 ZINC000883342949 591622728 /nfs/dbraw/zinc/62/27/28/591622728.db2.gz RYFPAFCKDRQQIF-TZMCWYRMSA-N 1 2 234.343 3.068 20 0 BGADLO COC1CCC(Nc2c[nH+]c(C)c(C)c2)CC1 ZINC000883343018 591623792 /nfs/dbraw/zinc/62/37/92/591623792.db2.gz WRPQKHJGIXHXNE-UHFFFAOYSA-N 1 2 234.343 3.068 20 0 BGADLO Cc1cc(N[C@@H]2CCCSCC2)c[nH+]c1C ZINC000883343047 591622734 /nfs/dbraw/zinc/62/27/34/591622734.db2.gz XZNZZYAEDGQHHR-GFCCVEGCSA-N 1 2 236.384 3.396 20 0 BGADLO Cc1cc(N[C@H]2CCCSCC2)c[nH+]c1C ZINC000883343048 591623866 /nfs/dbraw/zinc/62/38/66/591623866.db2.gz XZNZZYAEDGQHHR-LBPRGKRZSA-N 1 2 236.384 3.396 20 0 BGADLO CCSCc1ccc[nH+]c1NCC1CC1 ZINC000883378724 591638324 /nfs/dbraw/zinc/63/83/24/591638324.db2.gz WKIVSEJBOJZEJN-UHFFFAOYSA-N 1 2 222.357 3.157 20 0 BGADLO F[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccoc1 ZINC000883382910 591639184 /nfs/dbraw/zinc/63/91/84/591639184.db2.gz PSJFYUREYJMFLC-CABCVRRESA-N 1 2 245.297 3.395 20 0 BGADLO F[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccoc1 ZINC000883382911 591639021 /nfs/dbraw/zinc/63/90/21/591639021.db2.gz PSJFYUREYJMFLC-GJZGRUSLSA-N 1 2 245.297 3.395 20 0 BGADLO F[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccoc1 ZINC000883382912 591639236 /nfs/dbraw/zinc/63/92/36/591639236.db2.gz PSJFYUREYJMFLC-HUUCEWRRSA-N 1 2 245.297 3.395 20 0 BGADLO F[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccoc1 ZINC000883382913 591639164 /nfs/dbraw/zinc/63/91/64/591639164.db2.gz PSJFYUREYJMFLC-LSDHHAIUSA-N 1 2 245.297 3.395 20 0 BGADLO F[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccco1 ZINC000883383659 591639808 /nfs/dbraw/zinc/63/98/08/591639808.db2.gz CXULXUKAPQGXGL-CABCVRRESA-N 1 2 245.297 3.395 20 0 BGADLO F[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1ccco1 ZINC000883383660 591639812 /nfs/dbraw/zinc/63/98/12/591639812.db2.gz CXULXUKAPQGXGL-GJZGRUSLSA-N 1 2 245.297 3.395 20 0 BGADLO F[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccco1 ZINC000883383661 591639066 /nfs/dbraw/zinc/63/90/66/591639066.db2.gz CXULXUKAPQGXGL-HUUCEWRRSA-N 1 2 245.297 3.395 20 0 BGADLO F[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1ccco1 ZINC000883383662 591638981 /nfs/dbraw/zinc/63/89/81/591638981.db2.gz CXULXUKAPQGXGL-LSDHHAIUSA-N 1 2 245.297 3.395 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccc(Cl)nc1 ZINC000883399377 591645845 /nfs/dbraw/zinc/64/58/45/591645845.db2.gz KYJKXOBTGNLLEU-BQBZGAKWSA-N 1 2 234.677 3.039 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)C(F)F ZINC000883399378 591646398 /nfs/dbraw/zinc/64/63/98/591646398.db2.gz KYJKXOBTGNLLEU-NKWVEPMBSA-N 1 2 234.677 3.039 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccc(Cl)nc1 ZINC000883399379 591646124 /nfs/dbraw/zinc/64/61/24/591646124.db2.gz KYJKXOBTGNLLEU-RNFRBKRXSA-N 1 2 234.677 3.039 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccc(Cl)nc1 ZINC000883399380 591646383 /nfs/dbraw/zinc/64/63/83/591646383.db2.gz KYJKXOBTGNLLEU-RQJHMYQMSA-N 1 2 234.677 3.039 20 0 BGADLO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)C(F)F ZINC000883399412 591646491 /nfs/dbraw/zinc/64/64/91/591646491.db2.gz LRGOEAJTJICWMA-BXKDBHETSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)C(F)F ZINC000883399413 591646788 /nfs/dbraw/zinc/64/67/88/591646788.db2.gz LRGOEAJTJICWMA-CABZTGNLSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)C(F)F ZINC000883399414 591645916 /nfs/dbraw/zinc/64/59/16/591645916.db2.gz LRGOEAJTJICWMA-JOYOIKCWSA-N 1 2 225.282 3.226 20 0 BGADLO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)C(F)F ZINC000883399415 591645894 /nfs/dbraw/zinc/64/58/94/591645894.db2.gz LRGOEAJTJICWMA-SKDRFNHKSA-N 1 2 225.282 3.226 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1ccnc(Cl)c1 ZINC000883399572 591646741 /nfs/dbraw/zinc/64/67/41/591646741.db2.gz QQDLDGAXFRUJCW-BQBZGAKWSA-N 1 2 234.677 3.039 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)C(F)F ZINC000883399573 591646637 /nfs/dbraw/zinc/64/66/37/591646637.db2.gz QQDLDGAXFRUJCW-NKWVEPMBSA-N 1 2 234.677 3.039 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1ccnc(Cl)c1 ZINC000883399574 591645749 /nfs/dbraw/zinc/64/57/49/591645749.db2.gz QQDLDGAXFRUJCW-RNFRBKRXSA-N 1 2 234.677 3.039 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1ccnc(Cl)c1 ZINC000883399575 591646830 /nfs/dbraw/zinc/64/68/30/591646830.db2.gz QQDLDGAXFRUJCW-RQJHMYQMSA-N 1 2 234.677 3.039 20 0 BGADLO CCOc1cccc([C@@H](C)[NH2+][C@H](C)C(F)F)c1 ZINC000883399859 591646128 /nfs/dbraw/zinc/64/61/28/591646128.db2.gz XHFJTQIYQYGMSU-NXEZZACHSA-N 1 2 243.297 3.390 20 0 BGADLO CCOc1cccc([C@H](C)[NH2+][C@@H](C)C(F)F)c1 ZINC000883399860 591646286 /nfs/dbraw/zinc/64/62/86/591646286.db2.gz XHFJTQIYQYGMSU-UWVGGRQHSA-N 1 2 243.297 3.390 20 0 BGADLO CCOc1cccc([C@H](C)[NH2+][C@H](C)C(F)F)c1 ZINC000883399861 591646046 /nfs/dbraw/zinc/64/60/46/591646046.db2.gz XHFJTQIYQYGMSU-VHSXEESVSA-N 1 2 243.297 3.390 20 0 BGADLO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)C(F)F)c1 ZINC000883399862 591646361 /nfs/dbraw/zinc/64/63/61/591646361.db2.gz XHFJTQIYQYGMSU-ZJUUUORDSA-N 1 2 243.297 3.390 20 0 BGADLO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000883400816 591648130 /nfs/dbraw/zinc/64/81/30/591648130.db2.gz VZHBCAPVRIZZQP-BDAKNGLRSA-N 1 2 231.261 3.438 20 0 BGADLO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)C(F)F ZINC000883400817 591647081 /nfs/dbraw/zinc/64/70/81/591647081.db2.gz VZHBCAPVRIZZQP-DTWKUNHWSA-N 1 2 231.261 3.438 20 0 BGADLO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000883400818 583794462 /nfs/dbraw/zinc/79/44/62/583794462.db2.gz VZHBCAPVRIZZQP-IUCAKERBSA-N 1 2 231.261 3.438 20 0 BGADLO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000883400819 583794578 /nfs/dbraw/zinc/79/45/78/583794578.db2.gz VZHBCAPVRIZZQP-RKDXNWHRSA-N 1 2 231.261 3.438 20 0 BGADLO COc1c(C)cc(C[NH2+][C@@H](C)C(F)F)cc1C ZINC000883406227 591650428 /nfs/dbraw/zinc/65/04/28/591650428.db2.gz MLAIJEPAMCPDHM-JTQLQIEISA-N 1 2 243.297 3.055 20 0 BGADLO COc1c(C)cc(C[NH2+][C@H](C)C(F)F)cc1C ZINC000883406228 591649885 /nfs/dbraw/zinc/64/98/85/591649885.db2.gz MLAIJEPAMCPDHM-SNVBAGLBSA-N 1 2 243.297 3.055 20 0 BGADLO CC(C)c1ncc(C[NH2+][C@H](C)C(F)F)s1 ZINC000883406861 591650398 /nfs/dbraw/zinc/65/03/98/591650398.db2.gz CYKGJGJGAZYEAQ-SSDOTTSWSA-N 1 2 234.315 3.010 20 0 BGADLO CC(C)c1ncc(C[NH2+][C@@H](C)C(F)F)s1 ZINC000883406862 591650128 /nfs/dbraw/zinc/65/01/28/591650128.db2.gz CYKGJGJGAZYEAQ-ZETCQYMHSA-N 1 2 234.315 3.010 20 0 BGADLO CCc1nc(NCc2cscc2C)cc[nH+]1 ZINC000884489488 591954772 /nfs/dbraw/zinc/95/47/72/591954772.db2.gz ZIVIVDKIIRATEK-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO CCc1nc(NCC(C)(C)C(F)(F)F)cc[nH+]1 ZINC000884497854 591958110 /nfs/dbraw/zinc/95/81/10/591958110.db2.gz JLLUKVYGFSXSBA-UHFFFAOYSA-N 1 2 247.264 3.039 20 0 BGADLO CCc1nc(N[C@H](C)c2ccsc2)cc[nH+]1 ZINC000884498562 591958373 /nfs/dbraw/zinc/95/83/73/591958373.db2.gz FLVXVUSNRYUYIA-SECBINFHSA-N 1 2 233.340 3.274 20 0 BGADLO CCc1nc(N[C@@H](C)c2ccsc2)cc[nH+]1 ZINC000884498563 591958288 /nfs/dbraw/zinc/95/82/88/591958288.db2.gz FLVXVUSNRYUYIA-VIFPVBQESA-N 1 2 233.340 3.274 20 0 BGADLO CCc1nc(N2CC3(CCC3)[C@@H]2C(C)C)cc[nH+]1 ZINC000884513522 591961977 /nfs/dbraw/zinc/96/19/77/591961977.db2.gz LIIZARIVSMZQHZ-AWEZNQCLSA-N 1 2 245.370 3.054 20 0 BGADLO CCc1nc(N2CC3(CCC3)[C@H]2C(C)C)cc[nH+]1 ZINC000884513523 591961774 /nfs/dbraw/zinc/96/17/74/591961774.db2.gz LIIZARIVSMZQHZ-CQSZACIVSA-N 1 2 245.370 3.054 20 0 BGADLO CCc1nc(NCc2cc(C)cs2)cc[nH+]1 ZINC000884521125 591964676 /nfs/dbraw/zinc/96/46/76/591964676.db2.gz OIGDYENGZCAJLC-UHFFFAOYSA-N 1 2 233.340 3.021 20 0 BGADLO CCc1nc(NC[C@H](C)CC(F)(F)F)cc[nH+]1 ZINC000884530940 591969139 /nfs/dbraw/zinc/96/91/39/591969139.db2.gz YNLMGNMTHKSZGR-MRVPVSSYSA-N 1 2 247.264 3.039 20 0 BGADLO CCc1nc(NC[C@@H](C)CC(F)(F)F)cc[nH+]1 ZINC000884530941 591968499 /nfs/dbraw/zinc/96/84/99/591968499.db2.gz YNLMGNMTHKSZGR-QMMMGPOBSA-N 1 2 247.264 3.039 20 0 BGADLO CCc1nc(N[C@@H]2CCc3ccccc32)cc[nH+]1 ZINC000884555907 591978317 /nfs/dbraw/zinc/97/83/17/591978317.db2.gz CXFXCLOQNBAUON-CYBMUJFWSA-N 1 2 239.322 3.138 20 0 BGADLO CCc1nc(N2Cc3ccccc3[C@H]2C)cc[nH+]1 ZINC000884560580 591980605 /nfs/dbraw/zinc/98/06/05/591980605.db2.gz BLGZEAKDIJQZSI-LLVKDONJSA-N 1 2 239.322 3.120 20 0 BGADLO CCc1nc(N2Cc3ccccc3[C@@H]2C)cc[nH+]1 ZINC000884562476 591981494 /nfs/dbraw/zinc/98/14/94/591981494.db2.gz BLGZEAKDIJQZSI-NSHDSACASA-N 1 2 239.322 3.120 20 0 BGADLO CCc1nc(N[C@@H]2C[C@H]2c2ccsc2)cc[nH+]1 ZINC000884565140 591982621 /nfs/dbraw/zinc/98/26/21/591982621.db2.gz BJWHVHMCRNHEBI-WDEREUQCSA-N 1 2 245.351 3.069 20 0 BGADLO CCc1nc(NCC(C)(C)C(C)(F)F)cc[nH+]1 ZINC000884573687 591983966 /nfs/dbraw/zinc/98/39/66/591983966.db2.gz RXGINMNMBSVZGH-UHFFFAOYSA-N 1 2 243.301 3.132 20 0 BGADLO CCc1nc(NCC(C)(C)CC(F)F)cc[nH+]1 ZINC000884581152 591986973 /nfs/dbraw/zinc/98/69/73/591986973.db2.gz VKQYBIOZYQCAHW-UHFFFAOYSA-N 1 2 243.301 3.132 20 0 BGADLO Cc1cc(N2C[C@@H]3C[C@@H]3C2)c2cccc(F)c2[nH+]1 ZINC000884589710 591989004 /nfs/dbraw/zinc/98/90/04/591989004.db2.gz HHRWQGPMGAWZPT-PHIMTYICSA-N 1 2 242.297 3.138 20 0 BGADLO CC(C)c1cc(N2C[C@@H]3C[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000884590563 591989598 /nfs/dbraw/zinc/98/95/98/591989598.db2.gz YOKOIAKGDMYVTK-TXEJJXNPSA-N 1 2 245.370 3.180 20 0 BGADLO Clc1cccc2c(N3C[C@@H]4C[C@@H]4C3)cc[nH+]c12 ZINC000884590565 591989682 /nfs/dbraw/zinc/98/96/82/591989682.db2.gz YSAWBQNNPJRZCR-AOOOYVTPSA-N 1 2 244.725 3.344 20 0 BGADLO C[C@]1(CNc2cccc[nH+]2)CCOC2(CCC2)C1 ZINC000884702693 592012885 /nfs/dbraw/zinc/01/28/85/592012885.db2.gz JCPYWBSSMUKLKE-AWEZNQCLSA-N 1 2 246.354 3.233 20 0 BGADLO C[C@@]1(CNc2cccc[nH+]2)CCOC2(CCC2)C1 ZINC000884702694 592012979 /nfs/dbraw/zinc/01/29/79/592012979.db2.gz JCPYWBSSMUKLKE-CQSZACIVSA-N 1 2 246.354 3.233 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@H]2C[C@@]23CCOC3)c(C)c1 ZINC000885959680 592115656 /nfs/dbraw/zinc/11/56/56/592115656.db2.gz BFPVLGXZLINEQG-GDBMZVCRSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@H]2C[C@@]23CCOC3)c(C)c1 ZINC000885959680 592115655 /nfs/dbraw/zinc/11/56/55/592115655.db2.gz BFPVLGXZLINEQG-GDBMZVCRSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@@H]2C[C@@]23CCOC3)c(C)c1 ZINC000885959681 592115564 /nfs/dbraw/zinc/11/55/64/592115564.db2.gz BFPVLGXZLINEQG-GOEBONIOSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@@H]2C[C@@]23CCOC3)c(C)c1 ZINC000885959681 592115562 /nfs/dbraw/zinc/11/55/62/592115562.db2.gz BFPVLGXZLINEQG-GOEBONIOSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@@H]2C[C@]23CCOC3)c(C)c1 ZINC000885959682 592115917 /nfs/dbraw/zinc/11/59/17/592115917.db2.gz BFPVLGXZLINEQG-HOCLYGCPSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@@H]2C[C@]23CCOC3)c(C)c1 ZINC000885959682 592115915 /nfs/dbraw/zinc/11/59/15/592115915.db2.gz BFPVLGXZLINEQG-HOCLYGCPSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@H]2C[C@]23CCOC3)c(C)c1 ZINC000885959683 592115706 /nfs/dbraw/zinc/11/57/06/592115706.db2.gz BFPVLGXZLINEQG-ZBFHGGJFSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@H]2C[C@]23CCOC3)c(C)c1 ZINC000885959683 592115704 /nfs/dbraw/zinc/11/57/04/592115704.db2.gz BFPVLGXZLINEQG-ZBFHGGJFSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@H]2C[C@@]23CCOC3)cc1C ZINC000885959923 592115684 /nfs/dbraw/zinc/11/56/84/592115684.db2.gz DVLSJOYLYAACGG-GDBMZVCRSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@H]2C[C@@]23CCOC3)cc1C ZINC000885959923 592115683 /nfs/dbraw/zinc/11/56/83/592115683.db2.gz DVLSJOYLYAACGG-GDBMZVCRSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@@H]2C[C@@]23CCOC3)cc1C ZINC000885959924 592116172 /nfs/dbraw/zinc/11/61/72/592116172.db2.gz DVLSJOYLYAACGG-GOEBONIOSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@@H]2C[C@@]23CCOC3)cc1C ZINC000885959924 592116171 /nfs/dbraw/zinc/11/61/71/592116171.db2.gz DVLSJOYLYAACGG-GOEBONIOSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@@H]2C[C@]23CCOC3)cc1C ZINC000885959925 592116208 /nfs/dbraw/zinc/11/62/08/592116208.db2.gz DVLSJOYLYAACGG-HOCLYGCPSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@@H]2C[C@]23CCOC3)cc1C ZINC000885959925 592116206 /nfs/dbraw/zinc/11/62/06/592116206.db2.gz DVLSJOYLYAACGG-HOCLYGCPSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@@H+](C)C[C@H]2C[C@]23CCOC3)cc1C ZINC000885959926 592115690 /nfs/dbraw/zinc/11/56/90/592115690.db2.gz DVLSJOYLYAACGG-ZBFHGGJFSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc([N@H+](C)C[C@H]2C[C@]23CCOC3)cc1C ZINC000885959926 592115688 /nfs/dbraw/zinc/11/56/88/592115688.db2.gz DVLSJOYLYAACGG-ZBFHGGJFSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cccc([N@@H+](C)C[C@H]2C[C@@]23CCOC3)c1C ZINC000885962550 592116293 /nfs/dbraw/zinc/11/62/93/592116293.db2.gz BHVXUGLPFDLXNQ-GDBMZVCRSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cccc([N@H+](C)C[C@H]2C[C@@]23CCOC3)c1C ZINC000885962550 592116292 /nfs/dbraw/zinc/11/62/92/592116292.db2.gz BHVXUGLPFDLXNQ-GDBMZVCRSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cccc([N@@H+](C)C[C@@H]2C[C@@]23CCOC3)c1C ZINC000885962552 592116303 /nfs/dbraw/zinc/11/63/03/592116303.db2.gz BHVXUGLPFDLXNQ-GOEBONIOSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cccc([N@H+](C)C[C@@H]2C[C@@]23CCOC3)c1C ZINC000885962552 592116302 /nfs/dbraw/zinc/11/63/02/592116302.db2.gz BHVXUGLPFDLXNQ-GOEBONIOSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cccc([N@@H+](C)C[C@@H]2C[C@]23CCOC3)c1C ZINC000885962553 592115646 /nfs/dbraw/zinc/11/56/46/592115646.db2.gz BHVXUGLPFDLXNQ-HOCLYGCPSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cccc([N@H+](C)C[C@@H]2C[C@]23CCOC3)c1C ZINC000885962553 592115645 /nfs/dbraw/zinc/11/56/45/592115645.db2.gz BHVXUGLPFDLXNQ-HOCLYGCPSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cccc([N@@H+](C)C[C@H]2C[C@]23CCOC3)c1C ZINC000885962556 592116316 /nfs/dbraw/zinc/11/63/16/592116316.db2.gz BHVXUGLPFDLXNQ-ZBFHGGJFSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cccc([N@H+](C)C[C@H]2C[C@]23CCOC3)c1C ZINC000885962556 592116315 /nfs/dbraw/zinc/11/63/15/592116315.db2.gz BHVXUGLPFDLXNQ-ZBFHGGJFSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc(C)c([N@@H+](C)C[C@H]2C[C@@]23CCOC3)c1 ZINC000885964067 592116947 /nfs/dbraw/zinc/11/69/47/592116947.db2.gz WGOXZWYUANMDSO-GDBMZVCRSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc(C)c([N@H+](C)C[C@H]2C[C@@]23CCOC3)c1 ZINC000885964067 592116946 /nfs/dbraw/zinc/11/69/46/592116946.db2.gz WGOXZWYUANMDSO-GDBMZVCRSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc(C)c([N@@H+](C)C[C@@H]2C[C@@]23CCOC3)c1 ZINC000885964068 592116926 /nfs/dbraw/zinc/11/69/26/592116926.db2.gz WGOXZWYUANMDSO-GOEBONIOSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc(C)c([N@H+](C)C[C@@H]2C[C@@]23CCOC3)c1 ZINC000885964068 592116925 /nfs/dbraw/zinc/11/69/25/592116925.db2.gz WGOXZWYUANMDSO-GOEBONIOSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc(C)c([N@@H+](C)C[C@@H]2C[C@]23CCOC3)c1 ZINC000885964069 592116678 /nfs/dbraw/zinc/11/66/78/592116678.db2.gz WGOXZWYUANMDSO-HOCLYGCPSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc(C)c([N@H+](C)C[C@@H]2C[C@]23CCOC3)c1 ZINC000885964069 592116676 /nfs/dbraw/zinc/11/66/76/592116676.db2.gz WGOXZWYUANMDSO-HOCLYGCPSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc(C)c([N@@H+](C)C[C@H]2C[C@]23CCOC3)c1 ZINC000885964070 592117473 /nfs/dbraw/zinc/11/74/73/592117473.db2.gz WGOXZWYUANMDSO-ZBFHGGJFSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1ccc(C)c([N@H+](C)C[C@H]2C[C@]23CCOC3)c1 ZINC000885964070 592117471 /nfs/dbraw/zinc/11/74/71/592117471.db2.gz WGOXZWYUANMDSO-ZBFHGGJFSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cc(C)cc([N@@H+](C)C[C@H]2C[C@@]23CCOC3)c1 ZINC000885964244 592116659 /nfs/dbraw/zinc/11/66/59/592116659.db2.gz ZZRMRYANURSZGN-GDBMZVCRSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cc(C)cc([N@H+](C)C[C@H]2C[C@@]23CCOC3)c1 ZINC000885964244 592116657 /nfs/dbraw/zinc/11/66/57/592116657.db2.gz ZZRMRYANURSZGN-GDBMZVCRSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cc(C)cc([N@@H+](C)C[C@@H]2C[C@@]23CCOC3)c1 ZINC000885964245 592116958 /nfs/dbraw/zinc/11/69/58/592116958.db2.gz ZZRMRYANURSZGN-GOEBONIOSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cc(C)cc([N@H+](C)C[C@@H]2C[C@@]23CCOC3)c1 ZINC000885964245 592116957 /nfs/dbraw/zinc/11/69/57/592116957.db2.gz ZZRMRYANURSZGN-GOEBONIOSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cc(C)cc([N@@H+](C)C[C@@H]2C[C@]23CCOC3)c1 ZINC000885964246 592117023 /nfs/dbraw/zinc/11/70/23/592117023.db2.gz ZZRMRYANURSZGN-HOCLYGCPSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cc(C)cc([N@H+](C)C[C@@H]2C[C@]23CCOC3)c1 ZINC000885964246 592117022 /nfs/dbraw/zinc/11/70/22/592117022.db2.gz ZZRMRYANURSZGN-HOCLYGCPSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cc(C)cc([N@@H+](C)C[C@H]2C[C@]23CCOC3)c1 ZINC000885964247 592117066 /nfs/dbraw/zinc/11/70/66/592117066.db2.gz ZZRMRYANURSZGN-ZBFHGGJFSA-N 1 2 245.366 3.166 20 0 BGADLO Cc1cc(C)cc([N@H+](C)C[C@H]2C[C@]23CCOC3)c1 ZINC000885964247 592117064 /nfs/dbraw/zinc/11/70/64/592117064.db2.gz ZZRMRYANURSZGN-ZBFHGGJFSA-N 1 2 245.366 3.166 20 0 BGADLO FC(F)(F)SCC[NH+]1Cc2ccccc2C1 ZINC000885999825 592125993 /nfs/dbraw/zinc/12/59/93/592125993.db2.gz OBQQZXQGTYCPQK-UHFFFAOYSA-N 1 2 247.285 3.255 20 0 BGADLO Cc1coc(C[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000886023192 592134676 /nfs/dbraw/zinc/13/46/76/592134676.db2.gz MRYKDBPRMXUFRN-UHFFFAOYSA-N 1 2 248.351 3.212 20 0 BGADLO CC[N@@H+](C[C@H]1C[C@@]12CCOC2)c1ccccc1C ZINC000886051745 592140389 /nfs/dbraw/zinc/14/03/89/592140389.db2.gz CKDBTQSBLFWSJS-GDBMZVCRSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@H]1C[C@@]12CCOC2)c1ccccc1C ZINC000886051745 592140388 /nfs/dbraw/zinc/14/03/88/592140388.db2.gz CKDBTQSBLFWSJS-GDBMZVCRSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)c1ccccc1C ZINC000886051746 592139808 /nfs/dbraw/zinc/13/98/08/592139808.db2.gz CKDBTQSBLFWSJS-GOEBONIOSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@@H]1C[C@@]12CCOC2)c1ccccc1C ZINC000886051746 592139807 /nfs/dbraw/zinc/13/98/07/592139807.db2.gz CKDBTQSBLFWSJS-GOEBONIOSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@@H+](C[C@@H]1C[C@]12CCOC2)c1ccccc1C ZINC000886051747 592139830 /nfs/dbraw/zinc/13/98/30/592139830.db2.gz CKDBTQSBLFWSJS-HOCLYGCPSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@@H]1C[C@]12CCOC2)c1ccccc1C ZINC000886051747 592139829 /nfs/dbraw/zinc/13/98/29/592139829.db2.gz CKDBTQSBLFWSJS-HOCLYGCPSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@@H+](C[C@H]1C[C@]12CCOC2)c1ccccc1C ZINC000886051748 592140399 /nfs/dbraw/zinc/14/03/99/592140399.db2.gz CKDBTQSBLFWSJS-ZBFHGGJFSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@H]1C[C@]12CCOC2)c1ccccc1C ZINC000886051748 592140398 /nfs/dbraw/zinc/14/03/98/592140398.db2.gz CKDBTQSBLFWSJS-ZBFHGGJFSA-N 1 2 245.366 3.248 20 0 BGADLO CC(C)[N@@H+](C[C@H]1C[C@@]12CCOC2)c1ccccc1 ZINC000886052494 592140810 /nfs/dbraw/zinc/14/08/10/592140810.db2.gz ROVWCTJWJQUFLI-GDBMZVCRSA-N 1 2 245.366 3.328 20 0 BGADLO CC(C)[N@H+](C[C@H]1C[C@@]12CCOC2)c1ccccc1 ZINC000886052494 592140809 /nfs/dbraw/zinc/14/08/09/592140809.db2.gz ROVWCTJWJQUFLI-GDBMZVCRSA-N 1 2 245.366 3.328 20 0 BGADLO CC(C)[N@@H+](C[C@@H]1C[C@@]12CCOC2)c1ccccc1 ZINC000886052495 592140932 /nfs/dbraw/zinc/14/09/32/592140932.db2.gz ROVWCTJWJQUFLI-GOEBONIOSA-N 1 2 245.366 3.328 20 0 BGADLO CC(C)[N@H+](C[C@@H]1C[C@@]12CCOC2)c1ccccc1 ZINC000886052495 592140930 /nfs/dbraw/zinc/14/09/30/592140930.db2.gz ROVWCTJWJQUFLI-GOEBONIOSA-N 1 2 245.366 3.328 20 0 BGADLO CC(C)[N@@H+](C[C@@H]1C[C@]12CCOC2)c1ccccc1 ZINC000886052496 592141386 /nfs/dbraw/zinc/14/13/86/592141386.db2.gz ROVWCTJWJQUFLI-HOCLYGCPSA-N 1 2 245.366 3.328 20 0 BGADLO CC(C)[N@H+](C[C@@H]1C[C@]12CCOC2)c1ccccc1 ZINC000886052496 592141385 /nfs/dbraw/zinc/14/13/85/592141385.db2.gz ROVWCTJWJQUFLI-HOCLYGCPSA-N 1 2 245.366 3.328 20 0 BGADLO CC(C)[N@@H+](C[C@H]1C[C@]12CCOC2)c1ccccc1 ZINC000886052497 592141334 /nfs/dbraw/zinc/14/13/34/592141334.db2.gz ROVWCTJWJQUFLI-ZBFHGGJFSA-N 1 2 245.366 3.328 20 0 BGADLO CC(C)[N@H+](C[C@H]1C[C@]12CCOC2)c1ccccc1 ZINC000886052497 592141333 /nfs/dbraw/zinc/14/13/33/592141333.db2.gz ROVWCTJWJQUFLI-ZBFHGGJFSA-N 1 2 245.366 3.328 20 0 BGADLO CC[N@@H+](C[C@H]1C[C@@]12CCOC2)c1cccc(C)c1 ZINC000886052786 592141024 /nfs/dbraw/zinc/14/10/24/592141024.db2.gz XXKIOJKNQYRVOH-GDBMZVCRSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@H]1C[C@@]12CCOC2)c1cccc(C)c1 ZINC000886052786 592141021 /nfs/dbraw/zinc/14/10/21/592141021.db2.gz XXKIOJKNQYRVOH-GDBMZVCRSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)c1cccc(C)c1 ZINC000886052787 592141368 /nfs/dbraw/zinc/14/13/68/592141368.db2.gz XXKIOJKNQYRVOH-GOEBONIOSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@@H]1C[C@@]12CCOC2)c1cccc(C)c1 ZINC000886052787 592141367 /nfs/dbraw/zinc/14/13/67/592141367.db2.gz XXKIOJKNQYRVOH-GOEBONIOSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@@H+](C[C@@H]1C[C@]12CCOC2)c1cccc(C)c1 ZINC000886052788 592140844 /nfs/dbraw/zinc/14/08/44/592140844.db2.gz XXKIOJKNQYRVOH-HOCLYGCPSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@@H]1C[C@]12CCOC2)c1cccc(C)c1 ZINC000886052788 592140843 /nfs/dbraw/zinc/14/08/43/592140843.db2.gz XXKIOJKNQYRVOH-HOCLYGCPSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@@H+](C[C@H]1C[C@]12CCOC2)c1cccc(C)c1 ZINC000886052789 592141010 /nfs/dbraw/zinc/14/10/10/592141010.db2.gz XXKIOJKNQYRVOH-ZBFHGGJFSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@H]1C[C@]12CCOC2)c1cccc(C)c1 ZINC000886052789 592141009 /nfs/dbraw/zinc/14/10/09/592141009.db2.gz XXKIOJKNQYRVOH-ZBFHGGJFSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@@H+](C[C@H]1C[C@@]12CCOC2)c1ccc(C)cc1 ZINC000886054836 592141382 /nfs/dbraw/zinc/14/13/82/592141382.db2.gz MTJBANRQXKSCIU-GDBMZVCRSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@H]1C[C@@]12CCOC2)c1ccc(C)cc1 ZINC000886054836 592141381 /nfs/dbraw/zinc/14/13/81/592141381.db2.gz MTJBANRQXKSCIU-GDBMZVCRSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)c1ccc(C)cc1 ZINC000886054837 592141294 /nfs/dbraw/zinc/14/12/94/592141294.db2.gz MTJBANRQXKSCIU-GOEBONIOSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@@H]1C[C@@]12CCOC2)c1ccc(C)cc1 ZINC000886054837 592141293 /nfs/dbraw/zinc/14/12/93/592141293.db2.gz MTJBANRQXKSCIU-GOEBONIOSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@@H+](C[C@@H]1C[C@]12CCOC2)c1ccc(C)cc1 ZINC000886054838 592140870 /nfs/dbraw/zinc/14/08/70/592140870.db2.gz MTJBANRQXKSCIU-HOCLYGCPSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@@H]1C[C@]12CCOC2)c1ccc(C)cc1 ZINC000886054838 592140869 /nfs/dbraw/zinc/14/08/69/592140869.db2.gz MTJBANRQXKSCIU-HOCLYGCPSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@@H+](C[C@H]1C[C@]12CCOC2)c1ccc(C)cc1 ZINC000886054839 592141297 /nfs/dbraw/zinc/14/12/97/592141297.db2.gz MTJBANRQXKSCIU-ZBFHGGJFSA-N 1 2 245.366 3.248 20 0 BGADLO CC[N@H+](C[C@H]1C[C@]12CCOC2)c1ccc(C)cc1 ZINC000886054839 592141296 /nfs/dbraw/zinc/14/12/96/592141296.db2.gz MTJBANRQXKSCIU-ZBFHGGJFSA-N 1 2 245.366 3.248 20 0 BGADLO FC(F)[C@@H]1CCC[N@H+]1CCOC1CCCCC1 ZINC000886093920 592148156 /nfs/dbraw/zinc/14/81/56/592148156.db2.gz KDGZUTYPAVMUFW-LBPRGKRZSA-N 1 2 247.329 3.065 20 0 BGADLO FC(F)[C@@H]1CCC[N@@H+]1CCOC1CCCCC1 ZINC000886093920 592148155 /nfs/dbraw/zinc/14/81/55/592148155.db2.gz KDGZUTYPAVMUFW-LBPRGKRZSA-N 1 2 247.329 3.065 20 0 BGADLO CC(C)([NH2+]C/C=C/c1cccc(F)c1)C(F)F ZINC000886100034 592154739 /nfs/dbraw/zinc/15/47/39/592154739.db2.gz DDTPLQYOJRSTBM-GQCTYLIASA-N 1 2 243.272 3.472 20 0 BGADLO CC(C)([NH2+]C/C=C\c1cccc(F)c1)C(F)F ZINC000886100035 592154202 /nfs/dbraw/zinc/15/42/02/592154202.db2.gz DDTPLQYOJRSTBM-XQRVVYSFSA-N 1 2 243.272 3.472 20 0 BGADLO Fc1cccc(/C=C/C[NH2+]C2(C(F)F)CC2)c1 ZINC000886107369 592156315 /nfs/dbraw/zinc/15/63/15/592156315.db2.gz PXLKGDFHMNXNOE-DUXPYHPUSA-N 1 2 241.256 3.226 20 0 BGADLO Fc1cccc(/C=C\C[NH2+]C2(C(F)F)CC2)c1 ZINC000886107370 592156010 /nfs/dbraw/zinc/15/60/10/592156010.db2.gz PXLKGDFHMNXNOE-RQOWECAXSA-N 1 2 241.256 3.226 20 0 BGADLO Cc1coc(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000886118400 592157118 /nfs/dbraw/zinc/15/71/18/592157118.db2.gz GHEUVLGRKXAWEF-UHFFFAOYSA-N 1 2 229.270 3.256 20 0 BGADLO CC(F)(F)C[NH2+]C/C=C/c1cccc(F)c1 ZINC000886125197 592158811 /nfs/dbraw/zinc/15/88/11/592158811.db2.gz LHTHWLKCPYUTOK-HWKANZROSA-N 1 2 229.245 3.084 20 0 BGADLO CC(F)(F)C[NH2+]C/C=C\c1cccc(F)c1 ZINC000886125198 592158713 /nfs/dbraw/zinc/15/87/13/592158713.db2.gz LHTHWLKCPYUTOK-HYXAFXHYSA-N 1 2 229.245 3.084 20 0 BGADLO CCCc1nc(C)c(C[NH2+]Cc2cc(C)co2)o1 ZINC000886125356 585106645 /nfs/dbraw/zinc/10/66/45/585106645.db2.gz PEQHGNRPRSJIQT-UHFFFAOYSA-N 1 2 248.326 3.127 20 0 BGADLO CCc1cc[nH+]cc1NCc1cc(C)co1 ZINC000886154017 592164413 /nfs/dbraw/zinc/16/44/13/592164413.db2.gz XDYIHXIMYJFAGE-UHFFFAOYSA-N 1 2 216.284 3.158 20 0 BGADLO Cc1coc(CNc2c[nH+]c(C)c(C)c2)c1 ZINC000886188075 592172571 /nfs/dbraw/zinc/17/25/71/592172571.db2.gz JWEHZSKUSSYDNV-UHFFFAOYSA-N 1 2 216.284 3.212 20 0 BGADLO C[C@@H]([NH2+]C/C=C\c1cccc(F)c1)C(F)F ZINC000886190385 592173657 /nfs/dbraw/zinc/17/36/57/592173657.db2.gz OUYIALJJPJHPEV-AZVKUDOFSA-N 1 2 229.245 3.082 20 0 BGADLO C[C@@H]([NH2+]C/C=C/c1cccc(F)c1)C(F)F ZINC000886190386 592173144 /nfs/dbraw/zinc/17/31/44/592173144.db2.gz OUYIALJJPJHPEV-HYYFJVDXSA-N 1 2 229.245 3.082 20 0 BGADLO C[C@H]([NH2+]C/C=C\c1cccc(F)c1)C(F)F ZINC000886190387 592170204 /nfs/dbraw/zinc/17/02/04/592170204.db2.gz OUYIALJJPJHPEV-LVCFMKKZSA-N 1 2 229.245 3.082 20 0 BGADLO C[C@H]([NH2+]C/C=C/c1cccc(F)c1)C(F)F ZINC000886190388 592171018 /nfs/dbraw/zinc/17/10/18/592171018.db2.gz OUYIALJJPJHPEV-SGRBOOSSSA-N 1 2 229.245 3.082 20 0 BGADLO Cc1scc(C[NH2+][C@H](C)c2ncco2)c1C ZINC000886271940 592192801 /nfs/dbraw/zinc/19/28/01/592192801.db2.gz BFLODWHHDISZDM-SECBINFHSA-N 1 2 236.340 3.204 20 0 BGADLO Cc1scc(C[NH2+][C@@H](C)c2ncco2)c1C ZINC000886271941 592192555 /nfs/dbraw/zinc/19/25/55/592192555.db2.gz BFLODWHHDISZDM-VIFPVBQESA-N 1 2 236.340 3.204 20 0 BGADLO CCc1cccc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000886272203 592192812 /nfs/dbraw/zinc/19/28/12/592192812.db2.gz JZOGFOPPEBHGQM-LLVKDONJSA-N 1 2 230.311 3.088 20 0 BGADLO CCc1cccc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000886272204 592193031 /nfs/dbraw/zinc/19/30/31/592193031.db2.gz JZOGFOPPEBHGQM-NSHDSACASA-N 1 2 230.311 3.088 20 0 BGADLO Cc1cc(C)cc(C[NH2+][C@H](C)c2ncco2)c1 ZINC000886273524 592193277 /nfs/dbraw/zinc/19/32/77/592193277.db2.gz AVAKZNYHOSBERT-GFCCVEGCSA-N 1 2 230.311 3.142 20 0 BGADLO Cc1cc(C)cc(C[NH2+][C@@H](C)c2ncco2)c1 ZINC000886273525 592193809 /nfs/dbraw/zinc/19/38/09/592193809.db2.gz AVAKZNYHOSBERT-LBPRGKRZSA-N 1 2 230.311 3.142 20 0 BGADLO C[C@@H]([NH2+]Cc1cscc1Cl)c1ncco1 ZINC000886273771 592194194 /nfs/dbraw/zinc/19/41/94/592194194.db2.gz GKWQXGKPMOFPPZ-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H]([NH2+]Cc1cscc1Cl)c1ncco1 ZINC000886273772 592194064 /nfs/dbraw/zinc/19/40/64/592194064.db2.gz GKWQXGKPMOFPPZ-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO CCc1ccc(C[NH2+][C@H](C)c2ncco2)s1 ZINC000886273860 592193354 /nfs/dbraw/zinc/19/33/54/592193354.db2.gz HSTKMUHGZGLBOV-SECBINFHSA-N 1 2 236.340 3.149 20 0 BGADLO CCc1ccc(C[NH2+][C@@H](C)c2ncco2)s1 ZINC000886273861 592193862 /nfs/dbraw/zinc/19/38/62/592193862.db2.gz HSTKMUHGZGLBOV-VIFPVBQESA-N 1 2 236.340 3.149 20 0 BGADLO Cc1cccc(C)c1C[NH2+][C@H](C)c1ncco1 ZINC000886274351 592194710 /nfs/dbraw/zinc/19/47/10/592194710.db2.gz RBDKWHPFBLNZEN-GFCCVEGCSA-N 1 2 230.311 3.142 20 0 BGADLO Cc1cccc(C)c1C[NH2+][C@@H](C)c1ncco1 ZINC000886274352 592194726 /nfs/dbraw/zinc/19/47/26/592194726.db2.gz RBDKWHPFBLNZEN-LBPRGKRZSA-N 1 2 230.311 3.142 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ncco1 ZINC000886275586 592195369 /nfs/dbraw/zinc/19/53/69/592195369.db2.gz FPSBIJPAZDNSBY-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ncco1 ZINC000886275587 592195567 /nfs/dbraw/zinc/19/55/67/592195567.db2.gz FPSBIJPAZDNSBY-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO Cc1ccc(C[NH2+][C@H](C)c2ncco2)c(C)c1 ZINC000886275622 592195485 /nfs/dbraw/zinc/19/54/85/592195485.db2.gz HEEPZVKPOZJPKD-GFCCVEGCSA-N 1 2 230.311 3.142 20 0 BGADLO Cc1ccc(C[NH2+][C@@H](C)c2ncco2)c(C)c1 ZINC000886275623 592195615 /nfs/dbraw/zinc/19/56/15/592195615.db2.gz HEEPZVKPOZJPKD-LBPRGKRZSA-N 1 2 230.311 3.142 20 0 BGADLO C[C@@H]([NH2+]Cc1cccc(Cl)c1)c1ncco1 ZINC000886275640 592195516 /nfs/dbraw/zinc/19/55/16/592195516.db2.gz HORXMZGPBPIINP-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO C[C@H]([NH2+]Cc1cccc(Cl)c1)c1ncco1 ZINC000886275641 592195872 /nfs/dbraw/zinc/19/58/72/592195872.db2.gz HORXMZGPBPIINP-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1ncco1 ZINC000886275719 592195446 /nfs/dbraw/zinc/19/54/46/592195446.db2.gz JZJFUISZSOPNKW-JBLDHEPKSA-N 1 2 246.310 3.242 20 0 BGADLO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1ncco1 ZINC000886275720 592195388 /nfs/dbraw/zinc/19/53/88/592195388.db2.gz JZJFUISZSOPNKW-JFGNBEQYSA-N 1 2 246.310 3.242 20 0 BGADLO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1ncco1 ZINC000886275721 592195347 /nfs/dbraw/zinc/19/53/47/592195347.db2.gz JZJFUISZSOPNKW-NHCYSSNCSA-N 1 2 246.310 3.242 20 0 BGADLO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1ncco1 ZINC000886275722 592195380 /nfs/dbraw/zinc/19/53/80/592195380.db2.gz JZJFUISZSOPNKW-SCVCMEIPSA-N 1 2 246.310 3.242 20 0 BGADLO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ncco1 ZINC000886275862 592195552 /nfs/dbraw/zinc/19/55/52/592195552.db2.gz OVODADQATRRXFN-SSDOTTSWSA-N 1 2 242.731 3.240 20 0 BGADLO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1ncco1 ZINC000886275863 592195845 /nfs/dbraw/zinc/19/58/45/592195845.db2.gz OVODADQATRRXFN-ZETCQYMHSA-N 1 2 242.731 3.240 20 0 BGADLO CSc1ccc(C[NH2+][C@@H](C)c2ncco2)cc1 ZINC000886276160 592195905 /nfs/dbraw/zinc/19/59/05/592195905.db2.gz YZNHPERXGNMLFT-JTQLQIEISA-N 1 2 248.351 3.247 20 0 BGADLO CSc1ccc(C[NH2+][C@H](C)c2ncco2)cc1 ZINC000886276161 592195654 /nfs/dbraw/zinc/19/56/54/592195654.db2.gz YZNHPERXGNMLFT-SNVBAGLBSA-N 1 2 248.351 3.247 20 0 BGADLO C[C@@H]([NH2+]Cc1ccccc1Cl)c1ncco1 ZINC000886276179 592195266 /nfs/dbraw/zinc/19/52/66/592195266.db2.gz ZRIZFUQXFBXXTQ-SECBINFHSA-N 1 2 236.702 3.179 20 0 BGADLO C[C@H]([NH2+]Cc1ccccc1Cl)c1ncco1 ZINC000886276180 592195830 /nfs/dbraw/zinc/19/58/30/592195830.db2.gz ZRIZFUQXFBXXTQ-VIFPVBQESA-N 1 2 236.702 3.179 20 0 BGADLO Cc1cc(C)c2cc(N[C@@H]3CCOC3)ccc2[nH+]1 ZINC000886369569 592220983 /nfs/dbraw/zinc/22/09/83/592220983.db2.gz JKHGEADXDZBULF-CYBMUJFWSA-N 1 2 242.322 3.052 20 0 BGADLO Cc1cc(C)c2cc(N[C@H]3CCOC3)ccc2[nH+]1 ZINC000886369570 592220848 /nfs/dbraw/zinc/22/08/48/592220848.db2.gz JKHGEADXDZBULF-ZDUSSCGKSA-N 1 2 242.322 3.052 20 0 BGADLO Cc1ccc([N@@H+](CC2(C)COC2)C2CCC2)cc1 ZINC000886420919 592224435 /nfs/dbraw/zinc/22/44/35/592224435.db2.gz FSOMJZLXKYOIGN-UHFFFAOYSA-N 1 2 245.366 3.390 20 0 BGADLO Cc1ccc([N@H+](CC2(C)COC2)C2CCC2)cc1 ZINC000886420919 592224433 /nfs/dbraw/zinc/22/44/33/592224433.db2.gz FSOMJZLXKYOIGN-UHFFFAOYSA-N 1 2 245.366 3.390 20 0 BGADLO Cc1ccc([N@@H+](CC2CC2)CC2(C)COC2)cc1 ZINC000886424885 592225136 /nfs/dbraw/zinc/22/51/36/592225136.db2.gz JCAFHYBMQIRFKW-UHFFFAOYSA-N 1 2 245.366 3.248 20 0 BGADLO Cc1ccc([N@H+](CC2CC2)CC2(C)COC2)cc1 ZINC000886424885 592225135 /nfs/dbraw/zinc/22/51/35/592225135.db2.gz JCAFHYBMQIRFKW-UHFFFAOYSA-N 1 2 245.366 3.248 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1ccccc1)c1ncco1 ZINC000886528104 592245829 /nfs/dbraw/zinc/24/58/29/592245829.db2.gz HHEJHAOKDKKCFL-GHMZBOCLSA-N 1 2 216.284 3.086 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ncco1)c1ccccc1 ZINC000886528105 592245745 /nfs/dbraw/zinc/24/57/45/592245745.db2.gz HHEJHAOKDKKCFL-MNOVXSKESA-N 1 2 216.284 3.086 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1ccccc1)c1ncco1 ZINC000886528106 592245629 /nfs/dbraw/zinc/24/56/29/592245629.db2.gz HHEJHAOKDKKCFL-QWRGUYRKSA-N 1 2 216.284 3.086 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ncco1 ZINC000886528107 592245608 /nfs/dbraw/zinc/24/56/08/592245608.db2.gz HHEJHAOKDKKCFL-WDEREUQCSA-N 1 2 216.284 3.086 20 0 BGADLO COc1cccc([C@@H](C)[NH2+][C@H](C)c2ncco2)c1 ZINC000886532176 592248726 /nfs/dbraw/zinc/24/87/26/592248726.db2.gz FKNOERXDQLZXNQ-GHMZBOCLSA-N 1 2 246.310 3.095 20 0 BGADLO COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ncco2)c1 ZINC000886532177 592248975 /nfs/dbraw/zinc/24/89/75/592248975.db2.gz FKNOERXDQLZXNQ-MNOVXSKESA-N 1 2 246.310 3.095 20 0 BGADLO COc1cccc([C@H](C)[NH2+][C@@H](C)c2ncco2)c1 ZINC000886532178 592248871 /nfs/dbraw/zinc/24/88/71/592248871.db2.gz FKNOERXDQLZXNQ-QWRGUYRKSA-N 1 2 246.310 3.095 20 0 BGADLO COc1cccc([C@H](C)[NH2+][C@H](C)c2ncco2)c1 ZINC000886532179 592248618 /nfs/dbraw/zinc/24/86/18/592248618.db2.gz FKNOERXDQLZXNQ-WDEREUQCSA-N 1 2 246.310 3.095 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ncco1 ZINC000886532314 592249101 /nfs/dbraw/zinc/24/91/01/592249101.db2.gz HELIPSNKAMFLBP-NOZJJQNGSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ncco1 ZINC000886532315 592248900 /nfs/dbraw/zinc/24/89/00/592248900.db2.gz HELIPSNKAMFLBP-RNCFNFMXSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)c1ncco1 ZINC000886532316 592248734 /nfs/dbraw/zinc/24/87/34/592248734.db2.gz HELIPSNKAMFLBP-TVQRCGJNSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)c1ncco1 ZINC000886532317 592249307 /nfs/dbraw/zinc/24/93/07/592249307.db2.gz HELIPSNKAMFLBP-ZANVPECISA-N 1 2 246.285 3.152 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ncco1 ZINC000886533153 592249810 /nfs/dbraw/zinc/24/98/10/592249810.db2.gz VUUJARVZVVZKIT-NOZJJQNGSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1ncco1 ZINC000886533154 592249154 /nfs/dbraw/zinc/24/91/54/592249154.db2.gz VUUJARVZVVZKIT-RNCFNFMXSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)c1ncco1 ZINC000886533155 592248992 /nfs/dbraw/zinc/24/89/92/592248992.db2.gz VUUJARVZVVZKIT-TVQRCGJNSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1ncco1 ZINC000886533156 592249573 /nfs/dbraw/zinc/24/95/73/592249573.db2.gz VUUJARVZVVZKIT-ZANVPECISA-N 1 2 246.285 3.152 20 0 BGADLO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000886533230 592249383 /nfs/dbraw/zinc/24/93/83/592249383.db2.gz XFZWUDTTYQWXAN-NEPJUHHUSA-N 1 2 230.311 3.395 20 0 BGADLO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000886533233 592249885 /nfs/dbraw/zinc/24/98/85/592249885.db2.gz XFZWUDTTYQWXAN-VXGBXAGGSA-N 1 2 230.311 3.395 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ncco1 ZINC000886538154 592253045 /nfs/dbraw/zinc/25/30/45/592253045.db2.gz CIGAXKVSKCEHGJ-GXFFZTMASA-N 1 2 228.295 3.013 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ncco1 ZINC000886538156 592252083 /nfs/dbraw/zinc/25/20/83/592252083.db2.gz CIGAXKVSKCEHGJ-ZWNOBZJWSA-N 1 2 228.295 3.013 20 0 BGADLO CCc1ccccc1C[NH2+][C@H](C)c1ncco1 ZINC000886538622 592252037 /nfs/dbraw/zinc/25/20/37/592252037.db2.gz LHKWGIHUDHSKOB-LLVKDONJSA-N 1 2 230.311 3.088 20 0 BGADLO CCc1ccccc1C[NH2+][C@@H](C)c1ncco1 ZINC000886538623 592252109 /nfs/dbraw/zinc/25/21/09/592252109.db2.gz LHKWGIHUDHSKOB-NSHDSACASA-N 1 2 230.311 3.088 20 0 BGADLO CO[C@@H]1CCC[C@H](Nc2c[nH+]c(C)c(C)c2)CC1 ZINC000886651780 592290373 /nfs/dbraw/zinc/29/03/73/592290373.db2.gz QZPIDHIGHILHBQ-DZGCQCFKSA-N 1 2 248.370 3.458 20 0 BGADLO CO[C@H]1CCC[C@@H](Nc2c[nH+]c(C)c(C)c2)CC1 ZINC000886651781 592290930 /nfs/dbraw/zinc/29/09/30/592290930.db2.gz QZPIDHIGHILHBQ-HIFRSBDPSA-N 1 2 248.370 3.458 20 0 BGADLO CO[C@@H]1CCC[C@@H](Nc2c[nH+]c(C)c(C)c2)CC1 ZINC000886651782 592290861 /nfs/dbraw/zinc/29/08/61/592290861.db2.gz QZPIDHIGHILHBQ-UKRRQHHQSA-N 1 2 248.370 3.458 20 0 BGADLO CO[C@H]1CCC[C@H](Nc2c[nH+]c(C)c(C)c2)CC1 ZINC000886651783 592289984 /nfs/dbraw/zinc/28/99/84/592289984.db2.gz QZPIDHIGHILHBQ-ZFWWWQNUSA-N 1 2 248.370 3.458 20 0 BGADLO Cc1cc(N[C@H]2CCc3cccnc32)c[nH+]c1C ZINC000886652090 592289969 /nfs/dbraw/zinc/28/99/69/592289969.db2.gz ZJMZOWFYAGGWKN-AWEZNQCLSA-N 1 2 239.322 3.193 20 0 BGADLO Cc1cc(N[C@@H]2CCc3cccnc32)c[nH+]c1C ZINC000886652091 592290347 /nfs/dbraw/zinc/29/03/47/592290347.db2.gz ZJMZOWFYAGGWKN-CQSZACIVSA-N 1 2 239.322 3.193 20 0 BGADLO CC(C)=CC[N@@H+](CC(F)F)C1CCC1 ZINC000887098775 592440678 /nfs/dbraw/zinc/44/06/78/592440678.db2.gz BGASVEKMZYAUGQ-UHFFFAOYSA-N 1 2 203.276 3.072 20 0 BGADLO CC(C)=CC[N@H+](CC(F)F)C1CCC1 ZINC000887098775 592440675 /nfs/dbraw/zinc/44/06/75/592440675.db2.gz BGASVEKMZYAUGQ-UHFFFAOYSA-N 1 2 203.276 3.072 20 0 BGADLO FC(F)C[N@@H+](C1CCC1)[C@H]1C=CCCC1 ZINC000887098833 592441880 /nfs/dbraw/zinc/44/18/80/592441880.db2.gz DBIILEQUKGKUIO-JTQLQIEISA-N 1 2 215.287 3.215 20 0 BGADLO FC(F)C[N@H+](C1CCC1)[C@H]1C=CCCC1 ZINC000887098833 592441877 /nfs/dbraw/zinc/44/18/77/592441877.db2.gz DBIILEQUKGKUIO-JTQLQIEISA-N 1 2 215.287 3.215 20 0 BGADLO FC(F)C[N@@H+](C1CCC1)[C@@H]1C=CCCC1 ZINC000887098834 592441102 /nfs/dbraw/zinc/44/11/02/592441102.db2.gz DBIILEQUKGKUIO-SNVBAGLBSA-N 1 2 215.287 3.215 20 0 BGADLO FC(F)C[N@H+](C1CCC1)[C@@H]1C=CCCC1 ZINC000887098834 592441098 /nfs/dbraw/zinc/44/10/98/592441098.db2.gz DBIILEQUKGKUIO-SNVBAGLBSA-N 1 2 215.287 3.215 20 0 BGADLO FC(F)C[N@@H+](CCc1cccs1)C1CCC1 ZINC000887099001 592441713 /nfs/dbraw/zinc/44/17/13/592441713.db2.gz MMIISKJKMQVEKW-UHFFFAOYSA-N 1 2 245.338 3.410 20 0 BGADLO FC(F)C[N@H+](CCc1cccs1)C1CCC1 ZINC000887099001 592441711 /nfs/dbraw/zinc/44/17/11/592441711.db2.gz MMIISKJKMQVEKW-UHFFFAOYSA-N 1 2 245.338 3.410 20 0 BGADLO CC(C)(C)OCCC[N@@H+](CC(F)F)C1CCC1 ZINC000887100490 592441910 /nfs/dbraw/zinc/44/19/10/592441910.db2.gz CTLHXYQIKJCVHC-UHFFFAOYSA-N 1 2 249.345 3.311 20 0 BGADLO CC(C)(C)OCCC[N@H+](CC(F)F)C1CCC1 ZINC000887100490 592441908 /nfs/dbraw/zinc/44/19/08/592441908.db2.gz CTLHXYQIKJCVHC-UHFFFAOYSA-N 1 2 249.345 3.311 20 0 BGADLO FC(F)C[N@@H+](CC[C@H]1CCCCO1)C1CCC1 ZINC000887102247 592443083 /nfs/dbraw/zinc/44/30/83/592443083.db2.gz ISOXVUHUHAXGJY-GFCCVEGCSA-N 1 2 247.329 3.065 20 0 BGADLO FC(F)C[N@H+](CC[C@H]1CCCCO1)C1CCC1 ZINC000887102247 592443079 /nfs/dbraw/zinc/44/30/79/592443079.db2.gz ISOXVUHUHAXGJY-GFCCVEGCSA-N 1 2 247.329 3.065 20 0 BGADLO FC(F)C[N@@H+](CC[C@@H]1CCCCO1)C1CCC1 ZINC000887102248 592443249 /nfs/dbraw/zinc/44/32/49/592443249.db2.gz ISOXVUHUHAXGJY-LBPRGKRZSA-N 1 2 247.329 3.065 20 0 BGADLO FC(F)C[N@H+](CC[C@@H]1CCCCO1)C1CCC1 ZINC000887102248 592443246 /nfs/dbraw/zinc/44/32/46/592443246.db2.gz ISOXVUHUHAXGJY-LBPRGKRZSA-N 1 2 247.329 3.065 20 0 BGADLO CC(C)SCC[N@@H+](CC(F)F)C1CCC1 ZINC000887102349 592442667 /nfs/dbraw/zinc/44/26/67/592442667.db2.gz MWPNDHLOCBIPFD-UHFFFAOYSA-N 1 2 237.359 3.248 20 0 BGADLO CC(C)SCC[N@H+](CC(F)F)C1CCC1 ZINC000887102349 592442665 /nfs/dbraw/zinc/44/26/65/592442665.db2.gz MWPNDHLOCBIPFD-UHFFFAOYSA-N 1 2 237.359 3.248 20 0 BGADLO CC(C)(C)C(=O)CC[N@@H+](CC(F)F)C1CCC1 ZINC000887102381 592443307 /nfs/dbraw/zinc/44/33/07/592443307.db2.gz NYLXDBGIGZLRSM-UHFFFAOYSA-N 1 2 247.329 3.111 20 0 BGADLO CC(C)(C)C(=O)CC[N@H+](CC(F)F)C1CCC1 ZINC000887102381 592443305 /nfs/dbraw/zinc/44/33/05/592443305.db2.gz NYLXDBGIGZLRSM-UHFFFAOYSA-N 1 2 247.329 3.111 20 0 BGADLO CC1(C)CC[C@H](C[N@@H+](CC(F)F)C2CCC2)O1 ZINC000887102499 592443644 /nfs/dbraw/zinc/44/36/44/592443644.db2.gz RTOVIJWHCINKNP-LLVKDONJSA-N 1 2 247.329 3.064 20 0 BGADLO CC1(C)CC[C@H](C[N@H+](CC(F)F)C2CCC2)O1 ZINC000887102499 592443643 /nfs/dbraw/zinc/44/36/43/592443643.db2.gz RTOVIJWHCINKNP-LLVKDONJSA-N 1 2 247.329 3.064 20 0 BGADLO CC1(C)CC[C@@H](C[N@@H+](CC(F)F)C2CCC2)O1 ZINC000887102500 592442779 /nfs/dbraw/zinc/44/27/79/592442779.db2.gz RTOVIJWHCINKNP-NSHDSACASA-N 1 2 247.329 3.064 20 0 BGADLO CC1(C)CC[C@@H](C[N@H+](CC(F)F)C2CCC2)O1 ZINC000887102500 592442777 /nfs/dbraw/zinc/44/27/77/592442777.db2.gz RTOVIJWHCINKNP-NSHDSACASA-N 1 2 247.329 3.064 20 0 BGADLO FC(F)C[N@@H+](CC1=CCCC1)C1CCC1 ZINC000887102530 585440488 /nfs/dbraw/zinc/44/04/88/585440488.db2.gz SREHWGKJMIERHZ-UHFFFAOYSA-N 1 2 215.287 3.216 20 0 BGADLO FC(F)C[N@H+](CC1=CCCC1)C1CCC1 ZINC000887102530 585440487 /nfs/dbraw/zinc/44/04/87/585440487.db2.gz SREHWGKJMIERHZ-UHFFFAOYSA-N 1 2 215.287 3.216 20 0 BGADLO Cc1ccc(NC(=O)C[C@@H]2C[C@H]2C2CC2)c(C)[nH+]1 ZINC000889464837 592613424 /nfs/dbraw/zinc/61/34/24/592613424.db2.gz OSTKXJAOZVBMBF-STQMWFEESA-N 1 2 244.338 3.073 20 0 BGADLO Cc1cc[nH+]c(C)c1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000890490635 592701836 /nfs/dbraw/zinc/70/18/36/592701836.db2.gz XEQURDUOUXXTLT-STQMWFEESA-N 1 2 244.338 3.073 20 0 BGADLO c1c(N2CCCCC2)nc(C2CC2)[nH+]c1C1CC1 ZINC000891387792 582675623 /nfs/dbraw/zinc/67/56/23/582675623.db2.gz DKUGJQJGKWZPNF-UHFFFAOYSA-N 1 2 243.354 3.222 20 0 BGADLO Cc1cc(NCc2ccco2)nc(C2CCC2)[nH+]1 ZINC000891387802 582675463 /nfs/dbraw/zinc/67/54/63/582675463.db2.gz FACGMELCCHKRKW-UHFFFAOYSA-N 1 2 243.310 3.258 20 0 BGADLO c1cc(-c2ccc(N3CCCCC3)[nH+]c2)ccn1 ZINC000891387817 582675585 /nfs/dbraw/zinc/67/55/85/582675585.db2.gz GPUBGQZDTDHHQE-UHFFFAOYSA-N 1 2 239.322 3.134 20 0 BGADLO CC(C)Nc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000891387850 582675467 /nfs/dbraw/zinc/67/54/67/582675467.db2.gz JQMISAHCNPUYQK-UHFFFAOYSA-N 1 2 217.316 3.052 20 0 BGADLO Cc1cc(N2CCCCC2)nc(C2CCC2)[nH+]1 ZINC000891388035 582675570 /nfs/dbraw/zinc/67/55/70/582675570.db2.gz OILTVIMNGIOQAX-UHFFFAOYSA-N 1 2 231.343 3.043 20 0 BGADLO CC[C@@H](C)Nc1ccc(-c2ccncc2)c[nH+]1 ZINC000891389600 582676276 /nfs/dbraw/zinc/67/62/76/582676276.db2.gz GODDXODHJHPIFJ-LLVKDONJSA-N 1 2 227.311 3.354 20 0 BGADLO CC[C@H](C)Nc1ccc(-c2ccncc2)c[nH+]1 ZINC000891389605 582676290 /nfs/dbraw/zinc/67/62/90/582676290.db2.gz GODDXODHJHPIFJ-NSHDSACASA-N 1 2 227.311 3.354 20 0 BGADLO CCCCNc1ccc(-c2ccncc2)c[nH+]1 ZINC000891407053 582679049 /nfs/dbraw/zinc/67/90/49/582679049.db2.gz NXTZODKPPOFMDP-UHFFFAOYSA-N 1 2 227.311 3.356 20 0 BGADLO CCCCN(C)c1ccc(-c2ccncc2)c[nH+]1 ZINC000891409970 582680083 /nfs/dbraw/zinc/68/00/83/582680083.db2.gz ZFIMXFVKGPODCB-UHFFFAOYSA-N 1 2 241.338 3.380 20 0 BGADLO CCCCCCNc1cccc([C@@H](C)O)[nH+]1 ZINC000891413069 582680589 /nfs/dbraw/zinc/68/05/89/582680589.db2.gz KDNAOBDTQHOPPY-LLVKDONJSA-N 1 2 222.332 3.127 20 0 BGADLO CCCCCCNc1cccc([C@H](C)O)[nH+]1 ZINC000891413071 582680897 /nfs/dbraw/zinc/68/08/97/582680897.db2.gz KDNAOBDTQHOPPY-NSHDSACASA-N 1 2 222.332 3.127 20 0 BGADLO CC[NH+](CC)Cc1csc(C(F)(F)F)n1 ZINC000891438857 582685794 /nfs/dbraw/zinc/68/57/94/582685794.db2.gz VINORMOOISEIEO-UHFFFAOYSA-N 1 2 238.278 3.004 20 0 BGADLO CC(C)[N@@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000891450548 582689316 /nfs/dbraw/zinc/68/93/16/582689316.db2.gz IKUZYKXRRDGTIP-UHFFFAOYSA-N 1 2 238.278 3.002 20 0 BGADLO CC(C)[N@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000891450548 582689312 /nfs/dbraw/zinc/68/93/12/582689312.db2.gz IKUZYKXRRDGTIP-UHFFFAOYSA-N 1 2 238.278 3.002 20 0 BGADLO COc1ccc(C[N@@H+](C)Cc2ccccc2F)o1 ZINC000891476478 631372656 /nfs/dbraw/zinc/37/26/56/631372656.db2.gz RBWYJMQQBOWFRW-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO COc1ccc(C[N@H+](C)Cc2ccccc2F)o1 ZINC000891476478 631372652 /nfs/dbraw/zinc/37/26/52/631372652.db2.gz RBWYJMQQBOWFRW-UHFFFAOYSA-N 1 2 249.285 3.059 20 0 BGADLO CCOc1ccc(C[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000891480696 711532083 /nfs/dbraw/zinc/53/20/83/711532083.db2.gz RYKQXGRELWQTAV-UHFFFAOYSA-N 1 2 249.310 3.212 20 0 BGADLO CCOc1ccc(C[N@H+](C)Cc2ccc(C)o2)o1 ZINC000891480696 711532081 /nfs/dbraw/zinc/53/20/81/711532081.db2.gz RYKQXGRELWQTAV-UHFFFAOYSA-N 1 2 249.310 3.212 20 0 BGADLO CSCCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000891510633 582694878 /nfs/dbraw/zinc/69/48/78/582694878.db2.gz IAWBFUFFYQRPHV-UHFFFAOYSA-N 1 2 249.383 3.006 20 0 BGADLO COc1ccc2ccc(NCCSC)[nH+]c2c1 ZINC000891512252 582694498 /nfs/dbraw/zinc/69/44/98/582694498.db2.gz KHGSWOUNTCQWHL-UHFFFAOYSA-N 1 2 248.351 3.018 20 0 BGADLO COc1cccc2c[nH+]c(NCCSC)cc21 ZINC000891512622 582694739 /nfs/dbraw/zinc/69/47/39/582694739.db2.gz RUCHSGWIHLZKLE-UHFFFAOYSA-N 1 2 248.351 3.018 20 0 BGADLO CCC[N@@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000891578330 582698946 /nfs/dbraw/zinc/69/89/46/582698946.db2.gz KHYJLGMQKWYQTC-UHFFFAOYSA-N 1 2 238.278 3.004 20 0 BGADLO CCC[N@H+](C)Cc1csc(C(F)(F)F)n1 ZINC000891578330 582698945 /nfs/dbraw/zinc/69/89/45/582698945.db2.gz KHYJLGMQKWYQTC-UHFFFAOYSA-N 1 2 238.278 3.004 20 0 BGADLO c1c(NCC2CC2)nc(C2CC2)[nH+]c1C1CC1 ZINC000891678074 582709507 /nfs/dbraw/zinc/70/95/07/582709507.db2.gz PVNGLXARDAWCKY-UHFFFAOYSA-N 1 2 229.327 3.053 20 0 BGADLO Cc1cc(N2C3CCC2CC3)nc(C2CCC2)[nH+]1 ZINC000891681219 582709855 /nfs/dbraw/zinc/70/98/55/582709855.db2.gz RORGIFUPLFADNC-UHFFFAOYSA-N 1 2 243.354 3.184 20 0 BGADLO C[C@@H](O)c1cccc(NCCC2CCCC2)[nH+]1 ZINC000891705127 582711433 /nfs/dbraw/zinc/71/14/33/582711433.db2.gz NTVOBJAMBBQEGQ-LLVKDONJSA-N 1 2 234.343 3.127 20 0 BGADLO C[C@H](O)c1cccc(NCCC2CCCC2)[nH+]1 ZINC000891705129 582711378 /nfs/dbraw/zinc/71/13/78/582711378.db2.gz NTVOBJAMBBQEGQ-NSHDSACASA-N 1 2 234.343 3.127 20 0 BGADLO CC(C)N(C)c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000891713353 582711786 /nfs/dbraw/zinc/71/17/86/582711786.db2.gz ALEZYXCIMHRUQW-UHFFFAOYSA-N 1 2 231.343 3.076 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000891763397 582717862 /nfs/dbraw/zinc/71/78/62/582717862.db2.gz UPWCKEXTWPNWDI-GRYCIOLGSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000891763398 582718237 /nfs/dbraw/zinc/71/82/37/582718237.db2.gz UPWCKEXTWPNWDI-IJLUTSLNSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000891763399 582718225 /nfs/dbraw/zinc/71/82/25/582718225.db2.gz UPWCKEXTWPNWDI-UTUOFQBUSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@H](O)c1cccc(N[C@H]2CCC[C@@H](C)C2)[nH+]1 ZINC000891763400 582717670 /nfs/dbraw/zinc/71/76/70/582717670.db2.gz UPWCKEXTWPNWDI-WOPDTQHZSA-N 1 2 234.343 3.126 20 0 BGADLO c1cc(-c2ccc(NCC3CCC3)[nH+]c2)ccn1 ZINC000891775574 582718784 /nfs/dbraw/zinc/71/87/84/582718784.db2.gz QRKNYLFKGDSUPK-UHFFFAOYSA-N 1 2 239.322 3.356 20 0 BGADLO C[C@@H]1C[C@@H]1CNc1ccc(-c2ccncc2)c[nH+]1 ZINC000891826755 582727776 /nfs/dbraw/zinc/72/77/76/582727776.db2.gz RFZWJCZWZFYNJF-BXUZGUMPSA-N 1 2 239.322 3.212 20 0 BGADLO C[C@H]1C[C@H]1CNc1ccc(-c2ccncc2)c[nH+]1 ZINC000891826756 582727479 /nfs/dbraw/zinc/72/74/79/582727479.db2.gz RFZWJCZWZFYNJF-FZMZJTMJSA-N 1 2 239.322 3.212 20 0 BGADLO C[C@@H]1C[C@H]1CNc1ccc(-c2ccncc2)c[nH+]1 ZINC000891826757 582727297 /nfs/dbraw/zinc/72/72/97/582727297.db2.gz RFZWJCZWZFYNJF-RISCZKNCSA-N 1 2 239.322 3.212 20 0 BGADLO C[C@H]1C[C@@H]1CNc1ccc(-c2ccncc2)c[nH+]1 ZINC000891826758 582727753 /nfs/dbraw/zinc/72/77/53/582727753.db2.gz RFZWJCZWZFYNJF-SMDDNHRTSA-N 1 2 239.322 3.212 20 0 BGADLO Cc1ccc(CNc2cccc([C@H](C)O)[nH+]2)s1 ZINC000891872441 582733000 /nfs/dbraw/zinc/73/30/00/582733000.db2.gz QTPWHKINRLFWHF-JTQLQIEISA-N 1 2 248.351 3.117 20 0 BGADLO Cc1ccc(CNc2cccc([C@@H](C)O)[nH+]2)s1 ZINC000891872442 582733251 /nfs/dbraw/zinc/73/32/51/582733251.db2.gz QTPWHKINRLFWHF-SNVBAGLBSA-N 1 2 248.351 3.117 20 0 BGADLO CCOc1ccc(C[NH+]2Cc3ccccc3C2)o1 ZINC000891948511 582743508 /nfs/dbraw/zinc/74/35/08/582743508.db2.gz AWQDQEYEDWCABN-UHFFFAOYSA-N 1 2 243.306 3.194 20 0 BGADLO Cc1cc(F)ncc1C[NH+]1Cc2ccccc2C1 ZINC000891948514 582743457 /nfs/dbraw/zinc/74/34/57/582743457.db2.gz AXHIQYBMOISAHY-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO Cc1cc(C[NH+]2Cc3ccccc3C2)cnc1F ZINC000891948846 582743632 /nfs/dbraw/zinc/74/36/32/582743632.db2.gz HRMRTNKKVZEBGO-UHFFFAOYSA-N 1 2 242.297 3.045 20 0 BGADLO CC(C)CC[C@@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000891992390 582755719 /nfs/dbraw/zinc/75/57/19/582755719.db2.gz KMIYBGNWCNQXRQ-NEPJUHHUSA-N 1 2 236.359 3.372 20 0 BGADLO CC(C)CC[C@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000891992391 582755571 /nfs/dbraw/zinc/75/55/71/582755571.db2.gz KMIYBGNWCNQXRQ-NWDGAFQWSA-N 1 2 236.359 3.372 20 0 BGADLO CC(C)CC[C@H](C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000891992393 582755793 /nfs/dbraw/zinc/75/57/93/582755793.db2.gz KMIYBGNWCNQXRQ-RYUDHWBXSA-N 1 2 236.359 3.372 20 0 BGADLO CC(C)CC[C@@H](C)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000891992394 582755558 /nfs/dbraw/zinc/75/55/58/582755558.db2.gz KMIYBGNWCNQXRQ-VXGBXAGGSA-N 1 2 236.359 3.372 20 0 BGADLO Cc1cc(NCc2ccoc2)nc(C2CCC2)[nH+]1 ZINC000891995849 582757270 /nfs/dbraw/zinc/75/72/70/582757270.db2.gz NXRBNTHAZSPDFI-UHFFFAOYSA-N 1 2 243.310 3.258 20 0 BGADLO Cc1cc(NCC(F)(F)F)nc(C2CCC2)[nH+]1 ZINC000892010693 582760750 /nfs/dbraw/zinc/76/07/50/582760750.db2.gz YXLJNMGAPHXTPY-UHFFFAOYSA-N 1 2 245.248 3.027 20 0 BGADLO CC1=CC[N@@H+](Cc2nc(C(C)(C)C)co2)CC1 ZINC000892070885 582785040 /nfs/dbraw/zinc/78/50/40/582785040.db2.gz UUFYRMXIORKLJQ-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC1=CC[N@H+](Cc2nc(C(C)(C)C)co2)CC1 ZINC000892070885 582785038 /nfs/dbraw/zinc/78/50/38/582785038.db2.gz UUFYRMXIORKLJQ-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC(C)CN(C)c1ccc(-c2ccncc2)c[nH+]1 ZINC000892087064 582787840 /nfs/dbraw/zinc/78/78/40/582787840.db2.gz YZJBJNFXKYDRCQ-UHFFFAOYSA-N 1 2 241.338 3.236 20 0 BGADLO CCC[C@@H](CC)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892094926 582790472 /nfs/dbraw/zinc/79/04/72/582790472.db2.gz FCBQPQSVLJGLDA-GHMZBOCLSA-N 1 2 222.332 3.126 20 0 BGADLO CCC[C@H](CC)Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892094927 582790310 /nfs/dbraw/zinc/79/03/10/582790310.db2.gz FCBQPQSVLJGLDA-MNOVXSKESA-N 1 2 222.332 3.126 20 0 BGADLO CCC[C@H](CC)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892094928 582790391 /nfs/dbraw/zinc/79/03/91/582790391.db2.gz FCBQPQSVLJGLDA-QWRGUYRKSA-N 1 2 222.332 3.126 20 0 BGADLO CCC[C@@H](CC)Nc1cccc([C@H](C)O)[nH+]1 ZINC000892094930 582790419 /nfs/dbraw/zinc/79/04/19/582790419.db2.gz FCBQPQSVLJGLDA-WDEREUQCSA-N 1 2 222.332 3.126 20 0 BGADLO C[C@H]1CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000892254409 582813866 /nfs/dbraw/zinc/81/38/66/582813866.db2.gz MUOVQKCABQWJRE-JTQLQIEISA-N 1 2 243.354 3.078 20 0 BGADLO C[C@@H]1CCN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000892254410 582813990 /nfs/dbraw/zinc/81/39/90/582813990.db2.gz MUOVQKCABQWJRE-SNVBAGLBSA-N 1 2 243.354 3.078 20 0 BGADLO c1cc(-c2ccc(NC3CCC3)[nH+]c2)ccn1 ZINC000892401475 582876797 /nfs/dbraw/zinc/87/67/97/582876797.db2.gz JMJWFOJGOYUWLZ-UHFFFAOYSA-N 1 2 225.295 3.108 20 0 BGADLO Cc1cc(NC2CCC2)nc(C2CCC2)[nH+]1 ZINC000892401987 582876570 /nfs/dbraw/zinc/87/65/70/582876570.db2.gz ODQVUDOLBWAFDQ-UHFFFAOYSA-N 1 2 217.316 3.017 20 0 BGADLO c1c(NC2CCC2)nc(C2CC2)[nH+]c1C1CC1 ZINC000892402379 582876758 /nfs/dbraw/zinc/87/67/58/582876758.db2.gz WCOCFSBUJXMIHR-UHFFFAOYSA-N 1 2 229.327 3.196 20 0 BGADLO C[C@@H](O)c1cccc(NCC2(C)CCCC2)[nH+]1 ZINC000892427741 582884824 /nfs/dbraw/zinc/88/48/24/582884824.db2.gz WEYXJAWCKKGKKK-LLVKDONJSA-N 1 2 234.343 3.127 20 0 BGADLO C[C@H](O)c1cccc(NCC2(C)CCCC2)[nH+]1 ZINC000892427742 582884705 /nfs/dbraw/zinc/88/47/05/582884705.db2.gz WEYXJAWCKKGKKK-NSHDSACASA-N 1 2 234.343 3.127 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H]2CC[C@@H](C)C[C@H]2C)[nH+]1 ZINC000892510887 582902720 /nfs/dbraw/zinc/90/27/20/582902720.db2.gz XNQGOFAAGCYORS-LPWJVIDDSA-N 1 2 248.370 3.372 20 0 BGADLO C[C@H](O)c1cccc(N[C@H]2CC[C@@H](C)C[C@H]2C)[nH+]1 ZINC000892510888 582902750 /nfs/dbraw/zinc/90/27/50/582902750.db2.gz XNQGOFAAGCYORS-NDBYEHHHSA-N 1 2 248.370 3.372 20 0 BGADLO C[C@H](O)c1cccc(N[C@H]2CC[C@@H](C)C[C@@H]2C)[nH+]1 ZINC000892510889 582902505 /nfs/dbraw/zinc/90/25/05/582902505.db2.gz XNQGOFAAGCYORS-VOAKCMCISA-N 1 2 248.370 3.372 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H]2CC[C@@H](C)C[C@@H]2C)[nH+]1 ZINC000892510890 582902781 /nfs/dbraw/zinc/90/27/81/582902781.db2.gz XNQGOFAAGCYORS-XQHKEYJVSA-N 1 2 248.370 3.372 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H](C)C2CCCC2)[nH+]1 ZINC000892527635 582906706 /nfs/dbraw/zinc/90/67/06/582906706.db2.gz UWMUTQRGRFQYKL-GHMZBOCLSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@@H](Nc1cccc([C@H](C)O)[nH+]1)C1CCCC1 ZINC000892527636 582906589 /nfs/dbraw/zinc/90/65/89/582906589.db2.gz UWMUTQRGRFQYKL-MNOVXSKESA-N 1 2 234.343 3.126 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H](C)C2CCCC2)[nH+]1 ZINC000892527637 582906769 /nfs/dbraw/zinc/90/67/69/582906769.db2.gz UWMUTQRGRFQYKL-QWRGUYRKSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H](C)C2CCCC2)[nH+]1 ZINC000892527638 582906612 /nfs/dbraw/zinc/90/66/12/582906612.db2.gz UWMUTQRGRFQYKL-WDEREUQCSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@@H](O)c1cccc(NC[C@@H](C)C(C)(C)C)[nH+]1 ZINC000892542527 582908947 /nfs/dbraw/zinc/90/89/47/582908947.db2.gz APWSTUNXXZZSCH-GHMZBOCLSA-N 1 2 236.359 3.229 20 0 BGADLO C[C@H](O)c1cccc(NC[C@@H](C)C(C)(C)C)[nH+]1 ZINC000892542528 582909003 /nfs/dbraw/zinc/90/90/03/582909003.db2.gz APWSTUNXXZZSCH-MNOVXSKESA-N 1 2 236.359 3.229 20 0 BGADLO C[C@@H](CNc1cccc([C@H](C)O)[nH+]1)C(C)(C)C ZINC000892542529 582909135 /nfs/dbraw/zinc/90/91/35/582909135.db2.gz APWSTUNXXZZSCH-QWRGUYRKSA-N 1 2 236.359 3.229 20 0 BGADLO C[C@@H](O)c1cccc(NC[C@H](C)C(C)(C)C)[nH+]1 ZINC000892542530 582909159 /nfs/dbraw/zinc/90/91/59/582909159.db2.gz APWSTUNXXZZSCH-WDEREUQCSA-N 1 2 236.359 3.229 20 0 BGADLO C[C@@H](O)c1cccc(NCCCC(C)(C)C)[nH+]1 ZINC000892634198 582934756 /nfs/dbraw/zinc/93/47/56/582934756.db2.gz PPGOCKLRYIFACJ-LLVKDONJSA-N 1 2 236.359 3.373 20 0 BGADLO C[C@H](O)c1cccc(NCCCC(C)(C)C)[nH+]1 ZINC000892634199 582934390 /nfs/dbraw/zinc/93/43/90/582934390.db2.gz PPGOCKLRYIFACJ-NSHDSACASA-N 1 2 236.359 3.373 20 0 BGADLO Cc1nn(C(C)C)c(C)c1CNc1cccc[nH+]1 ZINC000892635988 582935074 /nfs/dbraw/zinc/93/50/74/582935074.db2.gz ANFKYVQRJQEXIJ-UHFFFAOYSA-N 1 2 244.342 3.088 20 0 BGADLO C[C@@H](O)c1cccc(NC2C[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000892636061 582935339 /nfs/dbraw/zinc/93/53/39/582935339.db2.gz CEFROTGILJZTLR-IJLUTSLNSA-N 1 2 248.370 3.372 20 0 BGADLO C[C@H](O)c1cccc(N[C@H]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000892636063 582934999 /nfs/dbraw/zinc/93/49/99/582934999.db2.gz CEFROTGILJZTLR-QNWHQSFQSA-N 1 2 248.370 3.372 20 0 BGADLO C[C@H](O)c1cccc(NC2C[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000892636065 582935220 /nfs/dbraw/zinc/93/52/20/582935220.db2.gz CEFROTGILJZTLR-UTUOFQBUSA-N 1 2 248.370 3.372 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000892636067 582935438 /nfs/dbraw/zinc/93/54/38/582935438.db2.gz CEFROTGILJZTLR-XQHKEYJVSA-N 1 2 248.370 3.372 20 0 BGADLO COCCCC1(CNc2cccc[nH+]2)CCC1 ZINC000892636662 582935059 /nfs/dbraw/zinc/93/50/59/582935059.db2.gz HRMXBDKXWZWMSQ-UHFFFAOYSA-N 1 2 234.343 3.090 20 0 BGADLO CC(C)Cc1ccc(CNc2cccc[nH+]2)cn1 ZINC000892636956 582935022 /nfs/dbraw/zinc/93/50/22/582935022.db2.gz IYIKAMGUPWUYEL-UHFFFAOYSA-N 1 2 241.338 3.287 20 0 BGADLO CN(c1cc(C2CC2)[nH+]c(C2CC2)n1)C1CCC1 ZINC000892693014 582957137 /nfs/dbraw/zinc/95/71/37/582957137.db2.gz CSDTVJFLPBPFTF-UHFFFAOYSA-N 1 2 243.354 3.220 20 0 BGADLO CN(c1ccc(-c2ccncc2)c[nH+]1)C1CCC1 ZINC000892693734 582957159 /nfs/dbraw/zinc/95/71/59/582957159.db2.gz LNFFNJDMQJKPSQ-UHFFFAOYSA-N 1 2 239.322 3.132 20 0 BGADLO C[C@H]1CCCN1c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000892737748 582973527 /nfs/dbraw/zinc/97/35/27/582973527.db2.gz JYXPMBSALCECTN-JTQLQIEISA-N 1 2 243.354 3.220 20 0 BGADLO C[C@@H]1CCCN1c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000892737749 582972972 /nfs/dbraw/zinc/97/29/72/582972972.db2.gz JYXPMBSALCECTN-SNVBAGLBSA-N 1 2 243.354 3.220 20 0 BGADLO C[C@@H]1CCCN1c1ccc(-c2ccncc2)c[nH+]1 ZINC000892737875 582973028 /nfs/dbraw/zinc/97/30/28/582973028.db2.gz NGWYSBNTLKOAFD-GFCCVEGCSA-N 1 2 239.322 3.132 20 0 BGADLO C[C@H]1CCCN1c1ccc(-c2ccncc2)c[nH+]1 ZINC000892737876 582972967 /nfs/dbraw/zinc/97/29/67/582972967.db2.gz NGWYSBNTLKOAFD-LBPRGKRZSA-N 1 2 239.322 3.132 20 0 BGADLO Cc1cc(N2CCC[C@H]2C)nc(C2CCC2)[nH+]1 ZINC000892737930 582973309 /nfs/dbraw/zinc/97/33/09/582973309.db2.gz PCECBUVAEFCFBD-LLVKDONJSA-N 1 2 231.343 3.041 20 0 BGADLO Cc1cc(N2CCC[C@@H]2C)nc(C2CCC2)[nH+]1 ZINC000892737931 582973504 /nfs/dbraw/zinc/97/35/04/582973504.db2.gz PCECBUVAEFCFBD-NSHDSACASA-N 1 2 231.343 3.041 20 0 BGADLO CCCN(CC)c1ccc(-c2ccncc2)c[nH+]1 ZINC000892786543 582982817 /nfs/dbraw/zinc/98/28/17/582982817.db2.gz FPVIICKAEHJLLX-UHFFFAOYSA-N 1 2 241.338 3.380 20 0 BGADLO CC1(CNc2ccc(-c3ccncc3)c[nH+]2)CC1 ZINC000892796278 582984138 /nfs/dbraw/zinc/98/41/38/582984138.db2.gz PUTTXIHLFTTWLA-UHFFFAOYSA-N 1 2 239.322 3.356 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H]2CCCC2(C)C)[nH+]1 ZINC000892845327 582995602 /nfs/dbraw/zinc/99/56/02/582995602.db2.gz PDVSHXGLDKAEMT-CMPLNLGQSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@H](O)c1cccc(N[C@H]2CCCC2(C)C)[nH+]1 ZINC000892845328 582995635 /nfs/dbraw/zinc/99/56/35/582995635.db2.gz PDVSHXGLDKAEMT-JQWIXIFHSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H]2CCCC2(C)C)[nH+]1 ZINC000892845329 582995672 /nfs/dbraw/zinc/99/56/72/582995672.db2.gz PDVSHXGLDKAEMT-PWSUYJOCSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H]2CCCC2(C)C)[nH+]1 ZINC000892845330 582995674 /nfs/dbraw/zinc/99/56/74/582995674.db2.gz PDVSHXGLDKAEMT-ZYHUDNBSSA-N 1 2 234.343 3.126 20 0 BGADLO CCC1(CNc2cccc([C@@H](C)O)[nH+]2)CCC1 ZINC000892873676 583001220 /nfs/dbraw/zinc/00/12/20/583001220.db2.gz VNTCBNYAOMLFFM-LLVKDONJSA-N 1 2 234.343 3.127 20 0 BGADLO CCC1(CNc2cccc([C@H](C)O)[nH+]2)CCC1 ZINC000892873677 583000761 /nfs/dbraw/zinc/00/07/61/583000761.db2.gz VNTCBNYAOMLFFM-NSHDSACASA-N 1 2 234.343 3.127 20 0 BGADLO CC(C)CC1(CNc2cccc([C@@H](C)O)[nH+]2)CC1 ZINC000892886499 583003830 /nfs/dbraw/zinc/00/38/30/583003830.db2.gz UCGCPFMYXICLAJ-GFCCVEGCSA-N 1 2 248.370 3.373 20 0 BGADLO CC(C)CC1(CNc2cccc([C@H](C)O)[nH+]2)CC1 ZINC000892886500 583003634 /nfs/dbraw/zinc/00/36/34/583003634.db2.gz UCGCPFMYXICLAJ-LBPRGKRZSA-N 1 2 248.370 3.373 20 0 BGADLO CC[C@@H]1CCC[C@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000892892518 583005656 /nfs/dbraw/zinc/00/56/56/583005656.db2.gz NVQQWEPRHDZMFW-DMDPSCGWSA-N 1 2 234.343 3.126 20 0 BGADLO CC[C@@H]1CCC[C@@H]1Nc1cccc([C@H](C)O)[nH+]1 ZINC000892892519 583005138 /nfs/dbraw/zinc/00/51/38/583005138.db2.gz NVQQWEPRHDZMFW-LOWVWBTDSA-N 1 2 234.343 3.126 20 0 BGADLO CC[C@@H]1CCC[C@H]1Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892892520 583005766 /nfs/dbraw/zinc/00/57/66/583005766.db2.gz NVQQWEPRHDZMFW-NQBHXWOUSA-N 1 2 234.343 3.126 20 0 BGADLO CC[C@@H]1CCC[C@@H]1Nc1cccc([C@@H](C)O)[nH+]1 ZINC000892892521 583005534 /nfs/dbraw/zinc/00/55/34/583005534.db2.gz NVQQWEPRHDZMFW-WZRBSPASSA-N 1 2 234.343 3.126 20 0 BGADLO CCCC1(CNc2cccc([C@@H](C)O)[nH+]2)CC1 ZINC000892915338 583008564 /nfs/dbraw/zinc/00/85/64/583008564.db2.gz ARXNCNPVLQBWTF-LLVKDONJSA-N 1 2 234.343 3.127 20 0 BGADLO CCCC1(CNc2cccc([C@H](C)O)[nH+]2)CC1 ZINC000892915340 583008649 /nfs/dbraw/zinc/00/86/49/583008649.db2.gz ARXNCNPVLQBWTF-NSHDSACASA-N 1 2 234.343 3.127 20 0 BGADLO C1=CCC(Nc2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000892915736 583008615 /nfs/dbraw/zinc/00/86/15/583008615.db2.gz DOPXXDVVYGXCIM-UHFFFAOYSA-N 1 2 241.338 3.362 20 0 BGADLO Cc1cc(NC2CC=CC2)nc(C2CCC2)[nH+]1 ZINC000892915771 583009139 /nfs/dbraw/zinc/00/91/39/583009139.db2.gz GBYBXXKIGFHNLP-UHFFFAOYSA-N 1 2 229.327 3.183 20 0 BGADLO C[C@@H](O)c1cccc(NCC2(C3CC3)CCC2)[nH+]1 ZINC000892950902 583017485 /nfs/dbraw/zinc/01/74/85/583017485.db2.gz IHGHMOFGZZGKRU-LLVKDONJSA-N 1 2 246.354 3.127 20 0 BGADLO C[C@H](O)c1cccc(NCC2(C3CC3)CCC2)[nH+]1 ZINC000892950904 583017354 /nfs/dbraw/zinc/01/73/54/583017354.db2.gz IHGHMOFGZZGKRU-NSHDSACASA-N 1 2 246.354 3.127 20 0 BGADLO C[C@@H](O)c1cccc(NCCC2=CCCC2)[nH+]1 ZINC000892956766 583019564 /nfs/dbraw/zinc/01/95/64/583019564.db2.gz VYIUVYXZTCBLSM-LLVKDONJSA-N 1 2 232.327 3.047 20 0 BGADLO C[C@H](O)c1cccc(NCCC2=CCCC2)[nH+]1 ZINC000892956767 583019269 /nfs/dbraw/zinc/01/92/69/583019269.db2.gz VYIUVYXZTCBLSM-NSHDSACASA-N 1 2 232.327 3.047 20 0 BGADLO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1cocn1 ZINC000892977433 583025076 /nfs/dbraw/zinc/02/50/76/583025076.db2.gz RFCGOZRVJGHZJG-UHFFFAOYSA-N 1 2 248.326 3.163 20 0 BGADLO CCc1cc(N[C@@H](C)c2ccc[nH]2)nc(CC)[nH+]1 ZINC000893023877 583031519 /nfs/dbraw/zinc/03/15/19/583031519.db2.gz RKTJUEBFYWIOFB-JTQLQIEISA-N 1 2 244.342 3.103 20 0 BGADLO CCc1cc(N[C@H](C)c2ccc[nH]2)nc(CC)[nH+]1 ZINC000893023878 583031715 /nfs/dbraw/zinc/03/17/15/583031715.db2.gz RKTJUEBFYWIOFB-SNVBAGLBSA-N 1 2 244.342 3.103 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H]2CCC(C)(C)C2)[nH+]1 ZINC000893076205 583042292 /nfs/dbraw/zinc/04/22/92/583042292.db2.gz BEOLOYFAPJAZEH-GHMZBOCLSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H]2CCC(C)(C)C2)[nH+]1 ZINC000893076206 583042798 /nfs/dbraw/zinc/04/27/98/583042798.db2.gz BEOLOYFAPJAZEH-MNOVXSKESA-N 1 2 234.343 3.126 20 0 BGADLO C[C@H](O)c1cccc(N[C@H]2CCC(C)(C)C2)[nH+]1 ZINC000893076208 583042570 /nfs/dbraw/zinc/04/25/70/583042570.db2.gz BEOLOYFAPJAZEH-QWRGUYRKSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H]2CCC(C)(C)C2)[nH+]1 ZINC000893076211 583042807 /nfs/dbraw/zinc/04/28/07/583042807.db2.gz BEOLOYFAPJAZEH-WDEREUQCSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@H](O)c1cccc(N[C@H]2CC23CCCCC3)[nH+]1 ZINC000893089372 583047909 /nfs/dbraw/zinc/04/79/09/583047909.db2.gz BFKMUFISFXZQRL-AAEUAGOBSA-N 1 2 246.354 3.270 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H]2CC23CCCCC3)[nH+]1 ZINC000893089373 583047709 /nfs/dbraw/zinc/04/77/09/583047709.db2.gz BFKMUFISFXZQRL-DGCLKSJQSA-N 1 2 246.354 3.270 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H]2CC23CCCCC3)[nH+]1 ZINC000893089374 583047919 /nfs/dbraw/zinc/04/79/19/583047919.db2.gz BFKMUFISFXZQRL-WCQYABFASA-N 1 2 246.354 3.270 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H]2CC23CCCCC3)[nH+]1 ZINC000893089375 583047832 /nfs/dbraw/zinc/04/78/32/583047832.db2.gz BFKMUFISFXZQRL-YPMHNXCESA-N 1 2 246.354 3.270 20 0 BGADLO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccon1 ZINC000893098027 633829560 /nfs/dbraw/zinc/82/95/60/633829560.db2.gz DSOMIZRMGUWJFQ-UHFFFAOYSA-N 1 2 248.326 3.163 20 0 BGADLO Cc1cc(N2CCC=C(F)C2)nc(C2CCC2)[nH+]1 ZINC000893104087 583050416 /nfs/dbraw/zinc/05/04/16/583050416.db2.gz YCLMHUJTZHMUSU-UHFFFAOYSA-N 1 2 247.317 3.116 20 0 BGADLO C[C@H](O)c1cccc(N2C[C@H](C)CC(C)(C)C2)[nH+]1 ZINC000893134505 583055267 /nfs/dbraw/zinc/05/52/67/583055267.db2.gz IKDSWUGVOPIADP-NEPJUHHUSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@@H](O)c1cccc(N2C[C@@H](C)CC(C)(C)C2)[nH+]1 ZINC000893134506 583055195 /nfs/dbraw/zinc/05/51/95/583055195.db2.gz IKDSWUGVOPIADP-NWDGAFQWSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@H](O)c1cccc(N2C[C@@H](C)CC(C)(C)C2)[nH+]1 ZINC000893134507 583055251 /nfs/dbraw/zinc/05/52/51/583055251.db2.gz IKDSWUGVOPIADP-RYUDHWBXSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@@H](O)c1cccc(N2C[C@H](C)CC(C)(C)C2)[nH+]1 ZINC000893134508 583055255 /nfs/dbraw/zinc/05/52/55/583055255.db2.gz IKDSWUGVOPIADP-VXGBXAGGSA-N 1 2 248.370 3.007 20 0 BGADLO COCCCC1(CNc2ccc(C)[nH+]c2)CCC1 ZINC000893146892 583056889 /nfs/dbraw/zinc/05/68/89/583056889.db2.gz QAMRWKNYWULMHJ-UHFFFAOYSA-N 1 2 248.370 3.399 20 0 BGADLO Cc1nc(CNc2ccc(C)[nH+]c2)sc1C ZINC000893147272 583056772 /nfs/dbraw/zinc/05/67/72/583056772.db2.gz WANPIZNWYPZHDJ-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO C[C@H](O)c1cccc(N2CC[C@@H](C)C(C)(C)C2)[nH+]1 ZINC000893185516 583065965 /nfs/dbraw/zinc/06/59/65/583065965.db2.gz XVRVLGCWAAQTOS-NEPJUHHUSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@@H](O)c1cccc(N2CC[C@H](C)C(C)(C)C2)[nH+]1 ZINC000893185517 583066080 /nfs/dbraw/zinc/06/60/80/583066080.db2.gz XVRVLGCWAAQTOS-NWDGAFQWSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@H](O)c1cccc(N2CC[C@H](C)C(C)(C)C2)[nH+]1 ZINC000893185518 583065659 /nfs/dbraw/zinc/06/56/59/583065659.db2.gz XVRVLGCWAAQTOS-RYUDHWBXSA-N 1 2 248.370 3.007 20 0 BGADLO C[C@@H](O)c1cccc(N2CC[C@@H](C)C(C)(C)C2)[nH+]1 ZINC000893185519 583066040 /nfs/dbraw/zinc/06/60/40/583066040.db2.gz XVRVLGCWAAQTOS-VXGBXAGGSA-N 1 2 248.370 3.007 20 0 BGADLO Cc1nc(CNc2c[nH+]ccc2C)sc1C ZINC000893196649 583068922 /nfs/dbraw/zinc/06/89/22/583068922.db2.gz BDNZIXLRJCSOIR-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1nc(CNc2c[nH+]cc(C)c2)sc1C ZINC000893197273 583069915 /nfs/dbraw/zinc/06/99/15/583069915.db2.gz LNWUYQPCRJPMNR-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO Cc1ccc(NCc2cnc(F)c(C)c2)c(C)[nH+]1 ZINC000893198198 583069090 /nfs/dbraw/zinc/06/90/90/583069090.db2.gz LPEMUKSDFGJUSC-UHFFFAOYSA-N 1 2 245.301 3.153 20 0 BGADLO COCCCC1(CNc2c[nH+]cc(C)c2)CCC1 ZINC000893198329 583068891 /nfs/dbraw/zinc/06/88/91/583068891.db2.gz TVOZPDHDAAMSDO-UHFFFAOYSA-N 1 2 248.370 3.399 20 0 BGADLO Cc1ccc(NCc2cnc(F)cc2C)c(C)[nH+]1 ZINC000893198829 583069053 /nfs/dbraw/zinc/06/90/53/583069053.db2.gz QWRRBYDRWJVFBW-UHFFFAOYSA-N 1 2 245.301 3.153 20 0 BGADLO Cc1nc(CNc2ccc[nH+]c2C)sc1C ZINC000893199238 583068943 /nfs/dbraw/zinc/06/89/43/583068943.db2.gz TYKZAMZLZTVSOB-UHFFFAOYSA-N 1 2 233.340 3.075 20 0 BGADLO COC1CCC(CNc2ccc[nH+]c2C)CC1 ZINC000893199279 583069535 /nfs/dbraw/zinc/06/95/35/583069535.db2.gz UUHMBRBSNVHBFX-UHFFFAOYSA-N 1 2 234.343 3.007 20 0 BGADLO Cc1nc(CNc2ccc(C)[nH+]c2C)sc1C ZINC000893199339 583069664 /nfs/dbraw/zinc/06/96/64/583069664.db2.gz WHQICPOJIHWTKJ-UHFFFAOYSA-N 1 2 247.367 3.384 20 0 BGADLO CCOc1ccc(CNc2ccc(C)[nH+]c2C)o1 ZINC000893199717 583070013 /nfs/dbraw/zinc/07/00/13/583070013.db2.gz YWVBEEQOJSESPH-UHFFFAOYSA-N 1 2 246.310 3.302 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H](C)CCC2CC2)[nH+]1 ZINC000893227588 583075007 /nfs/dbraw/zinc/07/50/07/583075007.db2.gz ZSRYCODJANNLLT-GHMZBOCLSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@H](CCC1CC1)Nc1cccc([C@H](C)O)[nH+]1 ZINC000893227592 583074958 /nfs/dbraw/zinc/07/49/58/583074958.db2.gz ZSRYCODJANNLLT-MNOVXSKESA-N 1 2 234.343 3.126 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H](C)CCC2CC2)[nH+]1 ZINC000893227594 583074520 /nfs/dbraw/zinc/07/45/20/583074520.db2.gz ZSRYCODJANNLLT-QWRGUYRKSA-N 1 2 234.343 3.126 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H](C)CCC2CC2)[nH+]1 ZINC000893227598 583074625 /nfs/dbraw/zinc/07/46/25/583074625.db2.gz ZSRYCODJANNLLT-WDEREUQCSA-N 1 2 234.343 3.126 20 0 BGADLO FC1=CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000893436097 583142895 /nfs/dbraw/zinc/14/28/95/583142895.db2.gz GHUGLDWQXXAZIO-UHFFFAOYSA-N 1 2 246.329 3.020 20 0 BGADLO FC1=CCC[N@H+](Cc2nccc3c2CCCC3)C1 ZINC000893436097 583142893 /nfs/dbraw/zinc/14/28/93/583142893.db2.gz GHUGLDWQXXAZIO-UHFFFAOYSA-N 1 2 246.329 3.020 20 0 BGADLO COc1ccc(C[N@H+]2CCC=C(F)C2)c(C)c1 ZINC000893436415 583142455 /nfs/dbraw/zinc/14/24/55/583142455.db2.gz IPIQNZKAEPERLR-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO COc1ccc(C[N@@H+]2CCC=C(F)C2)c(C)c1 ZINC000893436415 583142453 /nfs/dbraw/zinc/14/24/53/583142453.db2.gz IPIQNZKAEPERLR-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO Cc1ccc(N(C)Cc2[nH+]ccn2C2CC2)cc1 ZINC000893451612 583145749 /nfs/dbraw/zinc/14/57/49/583145749.db2.gz RXGYNBAAOYPTMB-UHFFFAOYSA-N 1 2 241.338 3.163 20 0 BGADLO CC[N@H+](Cc1ccc(OC)cc1C)CC(F)F ZINC000893560963 583164423 /nfs/dbraw/zinc/16/44/23/583164423.db2.gz CQNVMJMJUNVNQH-UHFFFAOYSA-N 1 2 243.297 3.091 20 0 BGADLO CC[N@@H+](Cc1ccc(OC)cc1C)CC(F)F ZINC000893560963 583164419 /nfs/dbraw/zinc/16/44/19/583164419.db2.gz CQNVMJMJUNVNQH-UHFFFAOYSA-N 1 2 243.297 3.091 20 0 BGADLO CC1(C)CN(c2cc(C3CC3)[nH+]c(C3CC3)n2)C1 ZINC000893577358 583166372 /nfs/dbraw/zinc/16/63/72/583166372.db2.gz XZYFYHYPUOCHJU-UHFFFAOYSA-N 1 2 243.354 3.078 20 0 BGADLO Cc1cc(N2[C@H](C)C[C@H]2C)nc(C2CCC2)[nH+]1 ZINC000893589601 583168181 /nfs/dbraw/zinc/16/81/81/583168181.db2.gz IVBOZRXDLYHFTF-GHMZBOCLSA-N 1 2 231.343 3.040 20 0 BGADLO Cc1cc(N2[C@H](C)C[C@@H]2C)nc(C2CCC2)[nH+]1 ZINC000893589603 583168145 /nfs/dbraw/zinc/16/81/45/583168145.db2.gz IVBOZRXDLYHFTF-PHIMTYICSA-N 1 2 231.343 3.040 20 0 BGADLO Cc1cc(N2[C@@H](C)C[C@@H]2C)nc(C2CCC2)[nH+]1 ZINC000893589606 583168188 /nfs/dbraw/zinc/16/81/88/583168188.db2.gz IVBOZRXDLYHFTF-QWRGUYRKSA-N 1 2 231.343 3.040 20 0 BGADLO Cc1cc(N2CCC3(CC3)C2)nc(C2CCC2)[nH+]1 ZINC000893681618 635444988 /nfs/dbraw/zinc/44/49/88/635444988.db2.gz KMIODGVBGIQRPZ-UHFFFAOYSA-N 1 2 243.354 3.043 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H](C)c2ccsc2)[nH+]1 ZINC000893712527 583210133 /nfs/dbraw/zinc/21/01/33/583210133.db2.gz WZBXNIAOGPIWNN-NXEZZACHSA-N 1 2 248.351 3.370 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H](C)c2ccsc2)[nH+]1 ZINC000893712561 583210420 /nfs/dbraw/zinc/21/04/20/583210420.db2.gz WZBXNIAOGPIWNN-UWVGGRQHSA-N 1 2 248.351 3.370 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H](C)c2ccsc2)[nH+]1 ZINC000893712564 583210141 /nfs/dbraw/zinc/21/01/41/583210141.db2.gz WZBXNIAOGPIWNN-VHSXEESVSA-N 1 2 248.351 3.370 20 0 BGADLO C[C@@H](Nc1cccc([C@H](C)O)[nH+]1)c1ccsc1 ZINC000893712565 583210318 /nfs/dbraw/zinc/21/03/18/583210318.db2.gz WZBXNIAOGPIWNN-ZJUUUORDSA-N 1 2 248.351 3.370 20 0 BGADLO CC(C)c1c[nH]c(C[N@@H+](C)Cc2ccccc2)n1 ZINC000893862882 583233349 /nfs/dbraw/zinc/23/33/49/583233349.db2.gz ARWJMTHFKHVELO-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)c1c[nH]c(C[N@H+](C)Cc2ccccc2)n1 ZINC000893862882 583233347 /nfs/dbraw/zinc/23/33/47/583233347.db2.gz ARWJMTHFKHVELO-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)c1c[nH]c(CN(C)c2ccccc2)[nH+]1 ZINC000893872110 583237084 /nfs/dbraw/zinc/23/70/84/583237084.db2.gz OYKJFHCFFPFNTD-UHFFFAOYSA-N 1 2 229.327 3.170 20 0 BGADLO CC(C)c1c[nH]c(C[N@@H+](C)Cc2cccs2)n1 ZINC000893886842 583241756 /nfs/dbraw/zinc/24/17/56/583241756.db2.gz OYBMPZWEKGQFRH-UHFFFAOYSA-N 1 2 249.383 3.227 20 0 BGADLO CC(C)c1c[nH]c(C[N@H+](C)Cc2cccs2)n1 ZINC000893886842 583241755 /nfs/dbraw/zinc/24/17/55/583241755.db2.gz OYBMPZWEKGQFRH-UHFFFAOYSA-N 1 2 249.383 3.227 20 0 BGADLO CSc1ccc(C[N@@H+](C)Cc2ccco2)o1 ZINC000893905692 583242520 /nfs/dbraw/zinc/24/25/20/583242520.db2.gz SOADNVRMGPTYFE-UHFFFAOYSA-N 1 2 237.324 3.227 20 0 BGADLO CSc1ccc(C[N@H+](C)Cc2ccco2)o1 ZINC000893905692 583242518 /nfs/dbraw/zinc/24/25/18/583242518.db2.gz SOADNVRMGPTYFE-UHFFFAOYSA-N 1 2 237.324 3.227 20 0 BGADLO CC(C)c1c[nH]c(CN(C)Cc2ccsc2)[nH+]1 ZINC000893911660 583246233 /nfs/dbraw/zinc/24/62/33/583246233.db2.gz QFYJIWQLCWGALB-UHFFFAOYSA-N 1 2 249.383 3.227 20 0 BGADLO FCCCCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000893925530 583249399 /nfs/dbraw/zinc/24/93/99/583249399.db2.gz LDLSGIZEBLKWPS-UHFFFAOYSA-N 1 2 249.333 3.393 20 0 BGADLO Cc1cc(NCCCCF)nc(C2CCC2)[nH+]1 ZINC000893925561 583249100 /nfs/dbraw/zinc/24/91/00/583249100.db2.gz MEVRBOPQWREIPK-UHFFFAOYSA-N 1 2 237.322 3.214 20 0 BGADLO COc1cccc2c[nH+]c(NCCCCF)cc21 ZINC000893925564 583249414 /nfs/dbraw/zinc/24/94/14/583249414.db2.gz MGUJYPZOJLYLJX-UHFFFAOYSA-N 1 2 248.301 3.405 20 0 BGADLO FCCCCNc1ccc(-c2ccncc2)c[nH+]1 ZINC000893926143 583249258 /nfs/dbraw/zinc/24/92/58/583249258.db2.gz QCESEZOGOJJMMN-UHFFFAOYSA-N 1 2 245.301 3.305 20 0 BGADLO Cc1ncoc1C[N@H+](C)[C@H](C)c1ccccc1F ZINC000893928737 583250203 /nfs/dbraw/zinc/25/02/03/583250203.db2.gz YKTXFPBZMQICET-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1ncoc1C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000893928737 583250202 /nfs/dbraw/zinc/25/02/02/583250202.db2.gz YKTXFPBZMQICET-LLVKDONJSA-N 1 2 248.301 3.315 20 0 BGADLO Cc1ncoc1C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000893928738 583250449 /nfs/dbraw/zinc/25/04/49/583250449.db2.gz YKTXFPBZMQICET-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1ncoc1C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000893928738 583250448 /nfs/dbraw/zinc/25/04/48/583250448.db2.gz YKTXFPBZMQICET-NSHDSACASA-N 1 2 248.301 3.315 20 0 BGADLO Cc1ccc(C[N@@H+](Cc2ocnc2C)C2CC2)o1 ZINC000893928754 583250976 /nfs/dbraw/zinc/25/09/76/583250976.db2.gz ZEPPEPRMWJQZBV-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1ccc(C[N@H+](Cc2ocnc2C)C2CC2)o1 ZINC000893928754 583250974 /nfs/dbraw/zinc/25/09/74/583250974.db2.gz ZEPPEPRMWJQZBV-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO CC(C)c1c[nH]c(CN(C)[C@H](C)c2ccco2)[nH+]1 ZINC000893931944 583251589 /nfs/dbraw/zinc/25/15/89/583251589.db2.gz VCRJKGMKWBSXQE-LLVKDONJSA-N 1 2 247.342 3.319 20 0 BGADLO CC(C)c1c[nH]c(CN(C)[C@@H](C)c2ccco2)[nH+]1 ZINC000893931946 583252025 /nfs/dbraw/zinc/25/20/25/583252025.db2.gz VCRJKGMKWBSXQE-NSHDSACASA-N 1 2 247.342 3.319 20 0 BGADLO Cc1coc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC000893947184 583258433 /nfs/dbraw/zinc/25/84/33/583258433.db2.gz TYZCKGCTTNOGDC-AWEZNQCLSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1coc(C[N@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC000893947184 583258432 /nfs/dbraw/zinc/25/84/32/583258432.db2.gz TYZCKGCTTNOGDC-AWEZNQCLSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1coc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c1 ZINC000893947185 583259359 /nfs/dbraw/zinc/25/93/59/583259359.db2.gz TYZCKGCTTNOGDC-CQSZACIVSA-N 1 2 246.310 3.222 20 0 BGADLO Cc1coc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)c1 ZINC000893947185 583259354 /nfs/dbraw/zinc/25/93/54/583259354.db2.gz TYZCKGCTTNOGDC-CQSZACIVSA-N 1 2 246.310 3.222 20 0 BGADLO C[C@@H](CF)Nc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000893971970 583263687 /nfs/dbraw/zinc/26/36/87/583263687.db2.gz WZXJURZADSYAOJ-QMMMGPOBSA-N 1 2 235.306 3.001 20 0 BGADLO CSc1ccc(C[N@@H+](C)Cc2ccoc2)o1 ZINC000893972461 583264982 /nfs/dbraw/zinc/26/49/82/583264982.db2.gz BNZPZDVMMUPZLA-UHFFFAOYSA-N 1 2 237.324 3.227 20 0 BGADLO CSc1ccc(C[N@H+](C)Cc2ccoc2)o1 ZINC000893972461 583264981 /nfs/dbraw/zinc/26/49/81/583264981.db2.gz BNZPZDVMMUPZLA-UHFFFAOYSA-N 1 2 237.324 3.227 20 0 BGADLO C[C@H](O)c1cccc(N[C@H]2CC3CCC2CC3)[nH+]1 ZINC000893974343 583264993 /nfs/dbraw/zinc/26/49/93/583264993.db2.gz UYKOYPIRYJXSFT-BBCYWQGDSA-N 1 2 246.354 3.126 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H]2CC3CCC2CC3)[nH+]1 ZINC000893974344 583264710 /nfs/dbraw/zinc/26/47/10/583264710.db2.gz UYKOYPIRYJXSFT-DLOFLVKXSA-N 1 2 246.354 3.126 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H]2CC3CCC2CC3)[nH+]1 ZINC000893974346 583264835 /nfs/dbraw/zinc/26/48/35/583264835.db2.gz UYKOYPIRYJXSFT-MLCFOIATSA-N 1 2 246.354 3.126 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H]2CC3CCC2CC3)[nH+]1 ZINC000893974348 583264951 /nfs/dbraw/zinc/26/49/51/583264951.db2.gz UYKOYPIRYJXSFT-NPZBDFSRSA-N 1 2 246.354 3.126 20 0 BGADLO C[C@@H](F)CCNc1ccc(-c2ccncc2)c[nH+]1 ZINC000893981839 583266638 /nfs/dbraw/zinc/26/66/38/583266638.db2.gz LUPNDEUMUIEWTK-LLVKDONJSA-N 1 2 245.301 3.304 20 0 BGADLO C[C@H](F)CCNc1ccc(-c2ccncc2)c[nH+]1 ZINC000893981840 583266516 /nfs/dbraw/zinc/26/65/16/583266516.db2.gz LUPNDEUMUIEWTK-NSHDSACASA-N 1 2 245.301 3.304 20 0 BGADLO C[C@@H](F)CCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000893982627 583266342 /nfs/dbraw/zinc/26/63/42/583266342.db2.gz VQIAVXYPDRZQGK-SECBINFHSA-N 1 2 249.333 3.391 20 0 BGADLO C[C@H](F)CCNc1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000893982628 583266028 /nfs/dbraw/zinc/26/60/28/583266028.db2.gz VQIAVXYPDRZQGK-VIFPVBQESA-N 1 2 249.333 3.391 20 0 BGADLO Cc1coc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)c1 ZINC000893987274 583270455 /nfs/dbraw/zinc/27/04/55/583270455.db2.gz QHCNYXMVJHDYIN-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1coc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000893987274 583270452 /nfs/dbraw/zinc/27/04/52/583270452.db2.gz QHCNYXMVJHDYIN-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1coc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)c1 ZINC000893987274 583270449 /nfs/dbraw/zinc/27/04/49/583270449.db2.gz QHCNYXMVJHDYIN-CYBMUJFWSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1coc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000893987275 583270195 /nfs/dbraw/zinc/27/01/95/583270195.db2.gz QHCNYXMVJHDYIN-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1coc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000893987275 583270194 /nfs/dbraw/zinc/27/01/94/583270194.db2.gz QHCNYXMVJHDYIN-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1coc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)c1 ZINC000893987275 583270192 /nfs/dbraw/zinc/27/01/92/583270192.db2.gz QHCNYXMVJHDYIN-ZDUSSCGKSA-N 1 2 245.326 3.038 20 0 BGADLO CCCN(Cc1[nH]cc(C(C)C)[nH+]1)CC(F)F ZINC000893988135 583270150 /nfs/dbraw/zinc/27/01/50/583270150.db2.gz YTBPDSBJHCJZIA-UHFFFAOYSA-N 1 2 245.317 3.010 20 0 BGADLO CCC1(C)CC[NH+](Cc2n[nH]c(C)c2C)CC1 ZINC000893988415 583270657 /nfs/dbraw/zinc/27/06/57/583270657.db2.gz XNJCDBGNDUDEJK-UHFFFAOYSA-N 1 2 235.375 3.039 20 0 BGADLO CCN(Cc1ccoc1)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000893992410 583267474 /nfs/dbraw/zinc/26/74/74/583267474.db2.gz IYJKWABXTCOPMX-UHFFFAOYSA-N 1 2 247.342 3.148 20 0 BGADLO C[C@@H]1CN(c2cc(C3CC3)[nH+]c(C3CC3)n2)[C@@H]1C ZINC000893998129 583269223 /nfs/dbraw/zinc/26/92/23/583269223.db2.gz BBKKIVDLKUGWHC-NXEZZACHSA-N 1 2 243.354 3.076 20 0 BGADLO C[C@H]1CN(c2cc(C3CC3)[nH+]c(C3CC3)n2)[C@H]1C ZINC000893998130 583268698 /nfs/dbraw/zinc/26/86/98/583268698.db2.gz BBKKIVDLKUGWHC-UWVGGRQHSA-N 1 2 243.354 3.076 20 0 BGADLO C[C@@H]1[C@@H](C)CN1c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000893998131 583268688 /nfs/dbraw/zinc/26/86/88/583268688.db2.gz BBKKIVDLKUGWHC-VHSXEESVSA-N 1 2 243.354 3.076 20 0 BGADLO C[C@@H]1CN(c2cc(C3CC3)[nH+]c(C3CC3)n2)[C@H]1C ZINC000893998132 583269046 /nfs/dbraw/zinc/26/90/46/583269046.db2.gz BBKKIVDLKUGWHC-ZJUUUORDSA-N 1 2 243.354 3.076 20 0 BGADLO CC(C)c1c[nH]c(CN2Cc3ccccc3C2)[nH+]1 ZINC000894006183 583273421 /nfs/dbraw/zinc/27/34/21/583273421.db2.gz RQBRMXKUTGYMEJ-UHFFFAOYSA-N 1 2 241.338 3.049 20 0 BGADLO CCc1cc(NCCC(C)(F)F)nc(CC)[nH+]1 ZINC000894007797 583270563 /nfs/dbraw/zinc/27/05/63/583270563.db2.gz PDLRPZHOVRLZKT-UHFFFAOYSA-N 1 2 243.301 3.059 20 0 BGADLO C[C@@H](O)c1cccc(NCC2=CCCCC2)[nH+]1 ZINC000894017156 583273921 /nfs/dbraw/zinc/27/39/21/583273921.db2.gz YGDFUIBDDBCBBK-LLVKDONJSA-N 1 2 232.327 3.047 20 0 BGADLO C[C@H](O)c1cccc(NCC2=CCCCC2)[nH+]1 ZINC000894017157 583273686 /nfs/dbraw/zinc/27/36/86/583273686.db2.gz YGDFUIBDDBCBBK-NSHDSACASA-N 1 2 232.327 3.047 20 0 BGADLO CCC1(CC)CC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894019119 583273204 /nfs/dbraw/zinc/27/32/04/583273204.db2.gz GOQXYKZVLOJTHJ-UHFFFAOYSA-N 1 2 235.375 3.039 20 0 BGADLO CCC1(CC)CC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894019119 583273201 /nfs/dbraw/zinc/27/32/01/583273201.db2.gz GOQXYKZVLOJTHJ-UHFFFAOYSA-N 1 2 235.375 3.039 20 0 BGADLO CC[C@@]1(C)CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894033121 583276687 /nfs/dbraw/zinc/27/66/87/583276687.db2.gz ZXLNWLFGUQFMTJ-AWEZNQCLSA-N 1 2 235.375 3.039 20 0 BGADLO CC[C@@]1(C)CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894033121 583276682 /nfs/dbraw/zinc/27/66/82/583276682.db2.gz ZXLNWLFGUQFMTJ-AWEZNQCLSA-N 1 2 235.375 3.039 20 0 BGADLO CC[C@]1(C)CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894033123 583277472 /nfs/dbraw/zinc/27/74/72/583277472.db2.gz ZXLNWLFGUQFMTJ-CQSZACIVSA-N 1 2 235.375 3.039 20 0 BGADLO CC[C@]1(C)CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894033123 583277469 /nfs/dbraw/zinc/27/74/69/583277469.db2.gz ZXLNWLFGUQFMTJ-CQSZACIVSA-N 1 2 235.375 3.039 20 0 BGADLO Cc1cc(N2CC[C@@H]2C2CC2)nc(C2CCC2)[nH+]1 ZINC000894037294 583289116 /nfs/dbraw/zinc/28/91/16/583289116.db2.gz ZHUMNCXKEWQDHM-CYBMUJFWSA-N 1 2 243.354 3.041 20 0 BGADLO Cc1cc(N2CC[C@H]2C2CC2)nc(C2CCC2)[nH+]1 ZINC000894037295 583289139 /nfs/dbraw/zinc/28/91/39/583289139.db2.gz ZHUMNCXKEWQDHM-ZDUSSCGKSA-N 1 2 243.354 3.041 20 0 BGADLO Cc1csc(CNc2cccc([C@H](C)O)[nH+]2)c1 ZINC000894052743 583290084 /nfs/dbraw/zinc/29/00/84/583290084.db2.gz DXXRXPGGWFILHR-JTQLQIEISA-N 1 2 248.351 3.117 20 0 BGADLO Cc1csc(CNc2cccc([C@@H](C)O)[nH+]2)c1 ZINC000894052744 583290351 /nfs/dbraw/zinc/29/03/51/583290351.db2.gz DXXRXPGGWFILHR-SNVBAGLBSA-N 1 2 248.351 3.117 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CCC3(C2)CCCCC3)c1C ZINC000894053537 583290191 /nfs/dbraw/zinc/29/01/91/583290191.db2.gz NATUYRMSULDFOR-UHFFFAOYSA-N 1 2 247.386 3.183 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CCC3(C2)CCCCC3)c1C ZINC000894053537 583290187 /nfs/dbraw/zinc/29/01/87/583290187.db2.gz NATUYRMSULDFOR-UHFFFAOYSA-N 1 2 247.386 3.183 20 0 BGADLO C[C@@H](O)c1cccc(NCC(C)(C)C2CCC2)[nH+]1 ZINC000894058661 583291827 /nfs/dbraw/zinc/29/18/27/583291827.db2.gz PLCQNMMKCTYFJT-LLVKDONJSA-N 1 2 248.370 3.373 20 0 BGADLO C[C@H](O)c1cccc(NCC(C)(C)C2CCC2)[nH+]1 ZINC000894058662 583291854 /nfs/dbraw/zinc/29/18/54/583291854.db2.gz PLCQNMMKCTYFJT-NSHDSACASA-N 1 2 248.370 3.373 20 0 BGADLO Cc1ncoc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000894063854 583292731 /nfs/dbraw/zinc/29/27/31/583292731.db2.gz RDYUUWFYWPWFJR-CYBMUJFWSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1ncoc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000894063854 583292728 /nfs/dbraw/zinc/29/27/28/583292728.db2.gz RDYUUWFYWPWFJR-CYBMUJFWSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1ncoc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000894063855 583292694 /nfs/dbraw/zinc/29/26/94/583292694.db2.gz RDYUUWFYWPWFJR-ZDUSSCGKSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1ncoc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000894063855 583292690 /nfs/dbraw/zinc/29/26/90/583292690.db2.gz RDYUUWFYWPWFJR-ZDUSSCGKSA-N 1 2 246.285 3.069 20 0 BGADLO CCC[C@@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894063940 583292715 /nfs/dbraw/zinc/29/27/15/583292715.db2.gz GPGZSJPTTRWAAF-CYBMUJFWSA-N 1 2 235.375 3.039 20 0 BGADLO CCC[C@@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894063940 583292713 /nfs/dbraw/zinc/29/27/13/583292713.db2.gz GPGZSJPTTRWAAF-CYBMUJFWSA-N 1 2 235.375 3.039 20 0 BGADLO CCC[C@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894063941 583292284 /nfs/dbraw/zinc/29/22/84/583292284.db2.gz GPGZSJPTTRWAAF-ZDUSSCGKSA-N 1 2 235.375 3.039 20 0 BGADLO CCC[C@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894063941 583292281 /nfs/dbraw/zinc/29/22/81/583292281.db2.gz GPGZSJPTTRWAAF-ZDUSSCGKSA-N 1 2 235.375 3.039 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CC=C(C(C)(C)C)CC2)c1C ZINC000894094081 583300056 /nfs/dbraw/zinc/30/00/56/583300056.db2.gz JHCFFSVNCWNPGB-UHFFFAOYSA-N 1 2 247.386 3.205 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CC=C(C(C)(C)C)CC2)c1C ZINC000894094081 583300055 /nfs/dbraw/zinc/30/00/55/583300055.db2.gz JHCFFSVNCWNPGB-UHFFFAOYSA-N 1 2 247.386 3.205 20 0 BGADLO CC(C)c1c[nH]c(CN(CC(F)F)C(C)C)[nH+]1 ZINC000894096022 583300756 /nfs/dbraw/zinc/30/07/56/583300756.db2.gz TWEJKWGUIBRSKL-UHFFFAOYSA-N 1 2 245.317 3.009 20 0 BGADLO CC[C@@H](C)Oc1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000894108563 583308151 /nfs/dbraw/zinc/30/81/51/583308151.db2.gz MJPFTQAKOCDDEJ-LLVKDONJSA-N 1 2 245.326 3.199 20 0 BGADLO CC[C@@H](C)Oc1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000894108563 583308150 /nfs/dbraw/zinc/30/81/50/583308150.db2.gz MJPFTQAKOCDDEJ-LLVKDONJSA-N 1 2 245.326 3.199 20 0 BGADLO CC[C@H](C)Oc1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000894108564 583307862 /nfs/dbraw/zinc/30/78/62/583307862.db2.gz MJPFTQAKOCDDEJ-NSHDSACASA-N 1 2 245.326 3.199 20 0 BGADLO CC[C@H](C)Oc1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000894108564 583307861 /nfs/dbraw/zinc/30/78/61/583307861.db2.gz MJPFTQAKOCDDEJ-NSHDSACASA-N 1 2 245.326 3.199 20 0 BGADLO CCCCOc1ccccc1NCc1c[nH]c[nH+]1 ZINC000894118318 583310325 /nfs/dbraw/zinc/31/03/25/583310325.db2.gz WCUIZNHVIRTZLM-UHFFFAOYSA-N 1 2 245.326 3.201 20 0 BGADLO CCCCOc1ccccc1NCc1c[nH+]c[nH]1 ZINC000894118318 583310323 /nfs/dbraw/zinc/31/03/23/583310323.db2.gz WCUIZNHVIRTZLM-UHFFFAOYSA-N 1 2 245.326 3.201 20 0 BGADLO CCCOc1ccc(NCc2c[nH]c[nH+]2)c(C)c1 ZINC000894120888 583310939 /nfs/dbraw/zinc/31/09/39/583310939.db2.gz RPJLSIYDVJQFCS-UHFFFAOYSA-N 1 2 245.326 3.119 20 0 BGADLO CCCOc1ccc(NCc2c[nH+]c[nH]2)c(C)c1 ZINC000894120888 583310935 /nfs/dbraw/zinc/31/09/35/583310935.db2.gz RPJLSIYDVJQFCS-UHFFFAOYSA-N 1 2 245.326 3.119 20 0 BGADLO CC(C)C1C[NH+](Cc2nc(C(C)(C)C)co2)C1 ZINC000894136004 583314280 /nfs/dbraw/zinc/31/42/80/583314280.db2.gz ZNXKXAZWZCSCOE-UHFFFAOYSA-N 1 2 236.359 3.060 20 0 BGADLO CC(C)c1c[nH]c(CN2CCc3ccccc32)[nH+]1 ZINC000894137420 583315083 /nfs/dbraw/zinc/31/50/83/583315083.db2.gz PUWJEMVWJDGSMK-UHFFFAOYSA-N 1 2 241.338 3.096 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H](C)CC(C)(C)C)[nH+]1 ZINC000894142167 583316889 /nfs/dbraw/zinc/31/68/89/583316889.db2.gz LGTKGIAQXPPERE-GHMZBOCLSA-N 1 2 236.359 3.372 20 0 BGADLO C[C@H](CC(C)(C)C)Nc1cccc([C@H](C)O)[nH+]1 ZINC000894142168 583316765 /nfs/dbraw/zinc/31/67/65/583316765.db2.gz LGTKGIAQXPPERE-MNOVXSKESA-N 1 2 236.359 3.372 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H](C)CC(C)(C)C)[nH+]1 ZINC000894142169 583316959 /nfs/dbraw/zinc/31/69/59/583316959.db2.gz LGTKGIAQXPPERE-QWRGUYRKSA-N 1 2 236.359 3.372 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H](C)CC(C)(C)C)[nH+]1 ZINC000894142170 583316781 /nfs/dbraw/zinc/31/67/81/583316781.db2.gz LGTKGIAQXPPERE-WDEREUQCSA-N 1 2 236.359 3.372 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H](C2CC2)C2CCC2)[nH+]1 ZINC000894143159 583317726 /nfs/dbraw/zinc/31/77/26/583317726.db2.gz VQWUKEWRKQZCDG-BMIGLBTASA-N 1 2 246.354 3.126 20 0 BGADLO C[C@H](O)c1cccc(N[C@H](C2CC2)C2CCC2)[nH+]1 ZINC000894143160 583317712 /nfs/dbraw/zinc/31/77/12/583317712.db2.gz VQWUKEWRKQZCDG-BONVTDFDSA-N 1 2 246.354 3.126 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H](C2CC2)C2CCC2)[nH+]1 ZINC000894143161 583317721 /nfs/dbraw/zinc/31/77/21/583317721.db2.gz VQWUKEWRKQZCDG-MEBBXXQBSA-N 1 2 246.354 3.126 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H](C2CC2)C2CCC2)[nH+]1 ZINC000894143162 583317555 /nfs/dbraw/zinc/31/75/55/583317555.db2.gz VQWUKEWRKQZCDG-ZUZCIYMTSA-N 1 2 246.354 3.126 20 0 BGADLO c1ccc(NCc2cccc3c2NCCC3)[nH+]c1 ZINC000894196971 583335709 /nfs/dbraw/zinc/33/57/09/583335709.db2.gz KHTAEMDFFZYOFR-UHFFFAOYSA-N 1 2 239.322 3.052 20 0 BGADLO CC1=CCC[N@@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000894220449 583381653 /nfs/dbraw/zinc/38/16/53/583381653.db2.gz IARCWTLURFYEML-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC1=CCC[N@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000894220449 583381651 /nfs/dbraw/zinc/38/16/51/583381651.db2.gz IARCWTLURFYEML-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC[C@H](Nc1cccc([C@H](C)O)[nH+]1)[C@@H]1CC1(C)C ZINC000894232124 583385421 /nfs/dbraw/zinc/38/54/21/583385421.db2.gz VQMUIMSKDCEAAL-SRVKXCTJSA-N 1 2 248.370 3.372 20 0 BGADLO CC[C@H](Nc1cccc([C@H](C)O)[nH+]1)[C@H]1CC1(C)C ZINC000894232125 583385436 /nfs/dbraw/zinc/38/54/36/583385436.db2.gz VQMUIMSKDCEAAL-TUAOUCFPSA-N 1 2 248.370 3.372 20 0 BGADLO CC[C@H](Nc1cccc([C@@H](C)O)[nH+]1)[C@H]1CC1(C)C ZINC000894232126 583385521 /nfs/dbraw/zinc/38/55/21/583385521.db2.gz VQMUIMSKDCEAAL-UTUOFQBUSA-N 1 2 248.370 3.372 20 0 BGADLO CC[C@H](Nc1cccc([C@@H](C)O)[nH+]1)[C@@H]1CC1(C)C ZINC000894232127 583385062 /nfs/dbraw/zinc/38/50/62/583385062.db2.gz VQMUIMSKDCEAAL-WOPDTQHZSA-N 1 2 248.370 3.372 20 0 BGADLO CCc1ccc(NCc2c[nH]c[nH+]2)cc1CC ZINC000894372741 583441032 /nfs/dbraw/zinc/44/10/32/583441032.db2.gz NYAMIQHLMUTWCZ-UHFFFAOYSA-N 1 2 229.327 3.147 20 0 BGADLO CCc1ccc(NCc2c[nH+]c[nH]2)cc1CC ZINC000894372741 583441029 /nfs/dbraw/zinc/44/10/29/583441029.db2.gz NYAMIQHLMUTWCZ-UHFFFAOYSA-N 1 2 229.327 3.147 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H]2C[C@H]2CC(C)(C)C)[nH+]1 ZINC000894386102 583443667 /nfs/dbraw/zinc/44/36/67/583443667.db2.gz XHTVYSKSKZYDPQ-GMXVVIOVSA-N 1 2 248.370 3.372 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H]2C[C@H]2CC(C)(C)C)[nH+]1 ZINC000894386103 583443509 /nfs/dbraw/zinc/44/35/09/583443509.db2.gz XHTVYSKSKZYDPQ-NTZNESFSSA-N 1 2 248.370 3.372 20 0 BGADLO CSc1ccc(C[N@@H+](C)Cc2cccnc2)o1 ZINC000894420979 583455643 /nfs/dbraw/zinc/45/56/43/583455643.db2.gz BGJRBEXYQLMMFA-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO CSc1ccc(C[N@H+](C)Cc2cccnc2)o1 ZINC000894420979 583455641 /nfs/dbraw/zinc/45/56/41/583455641.db2.gz BGJRBEXYQLMMFA-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO CSc1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)o1 ZINC000894422037 583457728 /nfs/dbraw/zinc/45/77/28/583457728.db2.gz ZIWZDLZFEXBPST-GXSJLCMTSA-N 1 2 243.347 3.181 20 0 BGADLO CSc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)o1 ZINC000894422037 583457726 /nfs/dbraw/zinc/45/77/26/583457726.db2.gz ZIWZDLZFEXBPST-GXSJLCMTSA-N 1 2 243.347 3.181 20 0 BGADLO CSc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)o1 ZINC000894422039 583457417 /nfs/dbraw/zinc/45/74/17/583457417.db2.gz ZIWZDLZFEXBPST-KOLCDFICSA-N 1 2 243.347 3.181 20 0 BGADLO CSc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)o1 ZINC000894422039 583457414 /nfs/dbraw/zinc/45/74/14/583457414.db2.gz ZIWZDLZFEXBPST-KOLCDFICSA-N 1 2 243.347 3.181 20 0 BGADLO CSc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)o1 ZINC000894422040 583457718 /nfs/dbraw/zinc/45/77/18/583457718.db2.gz ZIWZDLZFEXBPST-MWLCHTKSSA-N 1 2 243.347 3.181 20 0 BGADLO CSc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)o1 ZINC000894422040 583457716 /nfs/dbraw/zinc/45/77/16/583457716.db2.gz ZIWZDLZFEXBPST-MWLCHTKSSA-N 1 2 243.347 3.181 20 0 BGADLO CSc1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)o1 ZINC000894422042 583458115 /nfs/dbraw/zinc/45/81/15/583458115.db2.gz ZIWZDLZFEXBPST-ONGXEEELSA-N 1 2 243.347 3.181 20 0 BGADLO CSc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)o1 ZINC000894422042 583458113 /nfs/dbraw/zinc/45/81/13/583458113.db2.gz ZIWZDLZFEXBPST-ONGXEEELSA-N 1 2 243.347 3.181 20 0 BGADLO FC1=CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000894427601 583456659 /nfs/dbraw/zinc/45/66/59/583456659.db2.gz QYXZNBOQSHEHGZ-UHFFFAOYSA-N 1 2 246.329 3.104 20 0 BGADLO FC1=CCC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC000894427601 583456656 /nfs/dbraw/zinc/45/66/56/583456656.db2.gz QYXZNBOQSHEHGZ-UHFFFAOYSA-N 1 2 246.329 3.104 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)c1C ZINC000894428084 583456995 /nfs/dbraw/zinc/45/69/95/583456995.db2.gz ZHNHOFFUQXKEID-LLVKDONJSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1C ZINC000894428084 583456993 /nfs/dbraw/zinc/45/69/93/583456993.db2.gz ZHNHOFFUQXKEID-LLVKDONJSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)c1C ZINC000894428085 583457192 /nfs/dbraw/zinc/45/71/92/583457192.db2.gz ZHNHOFFUQXKEID-NSHDSACASA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c1C ZINC000894428085 583457191 /nfs/dbraw/zinc/45/71/91/583457191.db2.gz ZHNHOFFUQXKEID-NSHDSACASA-N 1 2 247.386 3.039 20 0 BGADLO CC(C)c1ccc(N(C)Cc2c[nH]c[nH+]2)cc1 ZINC000894429854 583456347 /nfs/dbraw/zinc/45/63/47/583456347.db2.gz QJWMRTNMKZLDDN-UHFFFAOYSA-N 1 2 229.327 3.170 20 0 BGADLO CC(C)c1ccc(N(C)Cc2c[nH+]c[nH]2)cc1 ZINC000894429854 583456345 /nfs/dbraw/zinc/45/63/45/583456345.db2.gz QJWMRTNMKZLDDN-UHFFFAOYSA-N 1 2 229.327 3.170 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c1C ZINC000894438514 583459940 /nfs/dbraw/zinc/45/99/40/583459940.db2.gz GKGSNUXMRDDZQV-ABAIWWIYSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)c1C ZINC000894438514 583459939 /nfs/dbraw/zinc/45/99/39/583459939.db2.gz GKGSNUXMRDDZQV-ABAIWWIYSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c1C ZINC000894438516 583460360 /nfs/dbraw/zinc/46/03/60/583460360.db2.gz GKGSNUXMRDDZQV-IAQYHMDHSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)c1C ZINC000894438516 583460357 /nfs/dbraw/zinc/46/03/57/583460357.db2.gz GKGSNUXMRDDZQV-IAQYHMDHSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1C ZINC000894438517 583460181 /nfs/dbraw/zinc/46/01/81/583460181.db2.gz GKGSNUXMRDDZQV-NHYWBVRUSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)c1C ZINC000894438517 583460179 /nfs/dbraw/zinc/46/01/79/583460179.db2.gz GKGSNUXMRDDZQV-NHYWBVRUSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c1C ZINC000894438519 583459635 /nfs/dbraw/zinc/45/96/35/583459635.db2.gz GKGSNUXMRDDZQV-XHDPSFHLSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)c1C ZINC000894438519 583459633 /nfs/dbraw/zinc/45/96/33/583459633.db2.gz GKGSNUXMRDDZQV-XHDPSFHLSA-N 1 2 247.386 3.039 20 0 BGADLO CSc1ccc(C[N@@H+](C)Cc2ccccn2)o1 ZINC000894450803 583463102 /nfs/dbraw/zinc/46/31/02/583463102.db2.gz PVYPYTWXZXWYOT-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO CSc1ccc(C[N@H+](C)Cc2ccccn2)o1 ZINC000894450803 583463099 /nfs/dbraw/zinc/46/30/99/583463099.db2.gz PVYPYTWXZXWYOT-UHFFFAOYSA-N 1 2 248.351 3.029 20 0 BGADLO CCC[C@@H]1CCCC[N@H+]1Cc1n[nH]c(C)c1C ZINC000894460749 583467230 /nfs/dbraw/zinc/46/72/30/583467230.db2.gz ANHSBSQIVDGNIG-CYBMUJFWSA-N 1 2 235.375 3.181 20 0 BGADLO CCC[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(C)c1C ZINC000894460749 583467229 /nfs/dbraw/zinc/46/72/29/583467229.db2.gz ANHSBSQIVDGNIG-CYBMUJFWSA-N 1 2 235.375 3.181 20 0 BGADLO CCC[C@H]1CCCC[N@H+]1Cc1n[nH]c(C)c1C ZINC000894460750 583467067 /nfs/dbraw/zinc/46/70/67/583467067.db2.gz ANHSBSQIVDGNIG-ZDUSSCGKSA-N 1 2 235.375 3.181 20 0 BGADLO CCC[C@H]1CCCC[N@@H+]1Cc1n[nH]c(C)c1C ZINC000894460750 583467064 /nfs/dbraw/zinc/46/70/64/583467064.db2.gz ANHSBSQIVDGNIG-ZDUSSCGKSA-N 1 2 235.375 3.181 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CCCC3(CCCC3)C2)c1C ZINC000894534885 583479025 /nfs/dbraw/zinc/47/90/25/583479025.db2.gz RHRXHBWPKRRVQF-UHFFFAOYSA-N 1 2 247.386 3.183 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CCCC3(CCCC3)C2)c1C ZINC000894534885 583479023 /nfs/dbraw/zinc/47/90/23/583479023.db2.gz RHRXHBWPKRRVQF-UHFFFAOYSA-N 1 2 247.386 3.183 20 0 BGADLO C[C@@H](O)c1cccc(NCCCC2CCC2)[nH+]1 ZINC000894560597 583482754 /nfs/dbraw/zinc/48/27/54/583482754.db2.gz MOMVDHCYVLVSBS-LLVKDONJSA-N 1 2 234.343 3.127 20 0 BGADLO C[C@H](O)c1cccc(NCCCC2CCC2)[nH+]1 ZINC000894560599 583482723 /nfs/dbraw/zinc/48/27/23/583482723.db2.gz MOMVDHCYVLVSBS-NSHDSACASA-N 1 2 234.343 3.127 20 0 BGADLO Cc1ncoc1C[N@H+](C)Cc1cc(C)ccc1F ZINC000894571631 583485906 /nfs/dbraw/zinc/48/59/06/583485906.db2.gz UJVUVJROARMRDM-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1ncoc1C[N@@H+](C)Cc1cc(C)ccc1F ZINC000894571631 583485904 /nfs/dbraw/zinc/48/59/04/583485904.db2.gz UJVUVJROARMRDM-UHFFFAOYSA-N 1 2 248.301 3.063 20 0 BGADLO Cc1ccc(NCc2c[nH]c[nH+]2)cc1OC(C)C ZINC000894581376 583488479 /nfs/dbraw/zinc/48/84/79/583488479.db2.gz QEYODJWJNBFAGV-UHFFFAOYSA-N 1 2 245.326 3.117 20 0 BGADLO Cc1ccc(NCc2c[nH+]c[nH]2)cc1OC(C)C ZINC000894581376 583488478 /nfs/dbraw/zinc/48/84/78/583488478.db2.gz QEYODJWJNBFAGV-UHFFFAOYSA-N 1 2 245.326 3.117 20 0 BGADLO Cc1ccc(CN(C)Cc2[nH]cc[nH+]2)cc1Cl ZINC000894585020 583489595 /nfs/dbraw/zinc/48/95/95/583489595.db2.gz ACYFMGQYQHQPFT-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1Cl ZINC000894585020 583489591 /nfs/dbraw/zinc/48/95/91/583489591.db2.gz ACYFMGQYQHQPFT-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1Cl ZINC000894585020 583489589 /nfs/dbraw/zinc/48/95/89/583489589.db2.gz ACYFMGQYQHQPFT-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO CCCc1ccc(CN(C)Cc2[nH]cc[nH+]2)s1 ZINC000894586162 583489629 /nfs/dbraw/zinc/48/96/29/583489629.db2.gz ANUONHQARGPAIV-UHFFFAOYSA-N 1 2 249.383 3.056 20 0 BGADLO CCCc1ccc(C[N@@H+](C)Cc2ncc[nH]2)s1 ZINC000894586162 583489627 /nfs/dbraw/zinc/48/96/27/583489627.db2.gz ANUONHQARGPAIV-UHFFFAOYSA-N 1 2 249.383 3.056 20 0 BGADLO CCCc1ccc(C[N@H+](C)Cc2ncc[nH]2)s1 ZINC000894586162 583489625 /nfs/dbraw/zinc/48/96/25/583489625.db2.gz ANUONHQARGPAIV-UHFFFAOYSA-N 1 2 249.383 3.056 20 0 BGADLO CC(C)c1ccccc1C[N@@H+](C)Cc1ncc[nH]1 ZINC000894586253 583489198 /nfs/dbraw/zinc/48/91/98/583489198.db2.gz BRQHTWOAHVHLCE-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO CC(C)c1ccccc1C[N@H+](C)Cc1ncc[nH]1 ZINC000894586253 583489195 /nfs/dbraw/zinc/48/91/95/583489195.db2.gz BRQHTWOAHVHLCE-UHFFFAOYSA-N 1 2 243.354 3.165 20 0 BGADLO Cc1cc(Cl)cc(CN(C)Cc2[nH]cc[nH+]2)c1 ZINC000894586479 583489141 /nfs/dbraw/zinc/48/91/41/583489141.db2.gz FIZIQHMOUFYYTD-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)cc(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000894586479 583489138 /nfs/dbraw/zinc/48/91/38/583489138.db2.gz FIZIQHMOUFYYTD-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1cc(Cl)cc(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000894586479 583489137 /nfs/dbraw/zinc/48/91/37/583489137.db2.gz FIZIQHMOUFYYTD-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c(Cl)cccc1CN(C)Cc1[nH]cc[nH+]1 ZINC000894586487 583489349 /nfs/dbraw/zinc/48/93/49/583489349.db2.gz FRZSFXAPKSGXMU-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c(Cl)cccc1C[N@@H+](C)Cc1ncc[nH]1 ZINC000894586487 583489347 /nfs/dbraw/zinc/48/93/47/583489347.db2.gz FRZSFXAPKSGXMU-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO Cc1c(Cl)cccc1C[N@H+](C)Cc1ncc[nH]1 ZINC000894586487 583489346 /nfs/dbraw/zinc/48/93/46/583489346.db2.gz FRZSFXAPKSGXMU-UHFFFAOYSA-N 1 2 249.745 3.004 20 0 BGADLO CC(C)Cc1ccc(C[NH2+]CC(C)(F)F)cn1 ZINC000894625726 583497343 /nfs/dbraw/zinc/49/73/43/583497343.db2.gz TWALGUMUXDQKFS-UHFFFAOYSA-N 1 2 242.313 3.025 20 0 BGADLO Cc1cc(N2CC3CC2(C)C3)nc(C2CCC2)[nH+]1 ZINC000894656753 583501270 /nfs/dbraw/zinc/50/12/70/583501270.db2.gz FTYUDEKFCQUANE-UHFFFAOYSA-N 1 2 243.354 3.041 20 0 BGADLO CCOc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)o1 ZINC000894659688 583504014 /nfs/dbraw/zinc/50/40/14/583504014.db2.gz ZQZYVASPTFEWOB-CYBMUJFWSA-N 1 2 241.306 3.002 20 0 BGADLO CCOc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)o1 ZINC000894659688 583504013 /nfs/dbraw/zinc/50/40/13/583504013.db2.gz ZQZYVASPTFEWOB-CYBMUJFWSA-N 1 2 241.306 3.002 20 0 BGADLO CCOc1ccc(C[N@H+]2CCC[C@](C)(F)C2)o1 ZINC000894659689 583504151 /nfs/dbraw/zinc/50/41/51/583504151.db2.gz ZQZYVASPTFEWOB-ZDUSSCGKSA-N 1 2 241.306 3.002 20 0 BGADLO CCOc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)o1 ZINC000894659689 583504149 /nfs/dbraw/zinc/50/41/49/583504149.db2.gz ZQZYVASPTFEWOB-ZDUSSCGKSA-N 1 2 241.306 3.002 20 0 BGADLO Cc1oc(C(C)(C)C)cc1C[NH2+]C(CF)CF ZINC000894666449 583502128 /nfs/dbraw/zinc/50/21/28/583502128.db2.gz HJHBIXSCJDOHBS-UHFFFAOYSA-N 1 2 245.313 3.283 20 0 BGADLO Fc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1C(F)F ZINC000894673278 583503933 /nfs/dbraw/zinc/50/39/33/583503933.db2.gz YWUYURVLJCSMPU-SECBINFHSA-N 1 2 247.235 3.307 20 0 BGADLO Fc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1C(F)F ZINC000894673278 583503930 /nfs/dbraw/zinc/50/39/30/583503930.db2.gz YWUYURVLJCSMPU-SECBINFHSA-N 1 2 247.235 3.307 20 0 BGADLO Fc1cc(C[N@H+]2CC[C@H](F)C2)ccc1C(F)F ZINC000894673280 583504246 /nfs/dbraw/zinc/50/42/46/583504246.db2.gz YWUYURVLJCSMPU-VIFPVBQESA-N 1 2 247.235 3.307 20 0 BGADLO Fc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1C(F)F ZINC000894673280 583504245 /nfs/dbraw/zinc/50/42/45/583504245.db2.gz YWUYURVLJCSMPU-VIFPVBQESA-N 1 2 247.235 3.307 20 0 BGADLO Cc1coc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000894740669 635918837 /nfs/dbraw/zinc/91/88/37/635918837.db2.gz NAJCNMQQYWQNJM-AWEZNQCLSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1coc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000894740669 635918835 /nfs/dbraw/zinc/91/88/35/635918835.db2.gz NAJCNMQQYWQNJM-AWEZNQCLSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1coc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000894740670 635919002 /nfs/dbraw/zinc/91/90/02/635919002.db2.gz NAJCNMQQYWQNJM-CQSZACIVSA-N 1 2 245.326 3.038 20 0 BGADLO Cc1coc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000894740670 635918997 /nfs/dbraw/zinc/91/89/97/635918997.db2.gz NAJCNMQQYWQNJM-CQSZACIVSA-N 1 2 245.326 3.038 20 0 BGADLO C[C@@H](O)c1cccc(NCC[C@@H]2CC=CCC2)[nH+]1 ZINC000894753301 583516148 /nfs/dbraw/zinc/51/61/48/583516148.db2.gz GKDIIPZSMKKXKH-CHWSQXEVSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@@H](O)c1cccc(NCC[C@H]2CC=CCC2)[nH+]1 ZINC000894753302 583516419 /nfs/dbraw/zinc/51/64/19/583516419.db2.gz GKDIIPZSMKKXKH-OLZOCXBDSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@H](O)c1cccc(NCC[C@@H]2CC=CCC2)[nH+]1 ZINC000894753303 583516250 /nfs/dbraw/zinc/51/62/50/583516250.db2.gz GKDIIPZSMKKXKH-QWHCGFSZSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@H](O)c1cccc(NCC[C@H]2CC=CCC2)[nH+]1 ZINC000894753304 583516163 /nfs/dbraw/zinc/51/61/63/583516163.db2.gz GKDIIPZSMKKXKH-STQMWFEESA-N 1 2 246.354 3.293 20 0 BGADLO Cc1[nH]nc(C[NH+]2CCC(C)(C3CC3)CC2)c1C ZINC000894795993 711772280 /nfs/dbraw/zinc/77/22/80/711772280.db2.gz WIVOOSUNZKQLIV-UHFFFAOYSA-N 1 2 247.386 3.039 20 0 BGADLO CC(C)c1c[nH]c(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)n1 ZINC000894796007 711772235 /nfs/dbraw/zinc/77/22/35/711772235.db2.gz WYTRRQYUUCVKII-AWEZNQCLSA-N 1 2 247.386 3.154 20 0 BGADLO CC(C)c1c[nH]c(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)n1 ZINC000894796007 711772234 /nfs/dbraw/zinc/77/22/34/711772234.db2.gz WYTRRQYUUCVKII-AWEZNQCLSA-N 1 2 247.386 3.154 20 0 BGADLO CC(C)c1c[nH]c(C[N@H+]2CC(C)(C)[C@H]2C2CC2)n1 ZINC000894796008 711772225 /nfs/dbraw/zinc/77/22/25/711772225.db2.gz WYTRRQYUUCVKII-CQSZACIVSA-N 1 2 247.386 3.154 20 0 BGADLO CC(C)c1c[nH]c(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)n1 ZINC000894796008 711772224 /nfs/dbraw/zinc/77/22/24/711772224.db2.gz WYTRRQYUUCVKII-CQSZACIVSA-N 1 2 247.386 3.154 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)c1C ZINC000894837605 583529257 /nfs/dbraw/zinc/52/92/57/583529257.db2.gz ZMXZEWSLJBYBEK-AWEZNQCLSA-N 1 2 247.386 3.037 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)c1C ZINC000894837605 583529256 /nfs/dbraw/zinc/52/92/56/583529256.db2.gz ZMXZEWSLJBYBEK-AWEZNQCLSA-N 1 2 247.386 3.037 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)c1C ZINC000894837606 583529567 /nfs/dbraw/zinc/52/95/67/583529567.db2.gz ZMXZEWSLJBYBEK-CQSZACIVSA-N 1 2 247.386 3.037 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)c1C ZINC000894837606 583529565 /nfs/dbraw/zinc/52/95/65/583529565.db2.gz ZMXZEWSLJBYBEK-CQSZACIVSA-N 1 2 247.386 3.037 20 0 BGADLO CCC1(C)C[NH+](Cc2nc(C(C)(C)C)co2)C1 ZINC000894840951 583530144 /nfs/dbraw/zinc/53/01/44/583530144.db2.gz SQHPFUBRQAAFIH-UHFFFAOYSA-N 1 2 236.359 3.204 20 0 BGADLO CCC1(C)C[NH+](Cc2cc(C)cnc2Cl)C1 ZINC000894840978 583529929 /nfs/dbraw/zinc/52/99/29/583529929.db2.gz UABIDZPQKMNZSW-UHFFFAOYSA-N 1 2 238.762 3.275 20 0 BGADLO Cc1ccoc1CN(C)Cc1[nH]cc(C(C)C)[nH+]1 ZINC000894846141 583531425 /nfs/dbraw/zinc/53/14/25/583531425.db2.gz FZGBCEHHZGIERX-UHFFFAOYSA-N 1 2 247.342 3.067 20 0 BGADLO CSc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)o1 ZINC000894869017 583539117 /nfs/dbraw/zinc/53/91/17/583539117.db2.gz LQNXIIVVGCISEK-GFCCVEGCSA-N 1 2 243.347 3.326 20 0 BGADLO CSc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)o1 ZINC000894869017 583539116 /nfs/dbraw/zinc/53/91/16/583539116.db2.gz LQNXIIVVGCISEK-GFCCVEGCSA-N 1 2 243.347 3.326 20 0 BGADLO CSc1ccc(C[N@H+]2CCC[C@](C)(F)C2)o1 ZINC000894869018 583539009 /nfs/dbraw/zinc/53/90/09/583539009.db2.gz LQNXIIVVGCISEK-LBPRGKRZSA-N 1 2 243.347 3.326 20 0 BGADLO CSc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)o1 ZINC000894869018 583539007 /nfs/dbraw/zinc/53/90/07/583539007.db2.gz LQNXIIVVGCISEK-LBPRGKRZSA-N 1 2 243.347 3.326 20 0 BGADLO Cc1cc(Cl)c(NCc2c[nH]c[nH+]2)cc1C ZINC000894877818 583542250 /nfs/dbraw/zinc/54/22/50/583542250.db2.gz LPZRQZLDHOJKOO-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO Cc1cc(Cl)c(NCc2c[nH+]c[nH]2)cc1C ZINC000894877818 583542248 /nfs/dbraw/zinc/54/22/48/583542248.db2.gz LPZRQZLDHOJKOO-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO CC(F)(F)c1ccccc1NCc1c[nH]c[nH+]1 ZINC000894888849 583547118 /nfs/dbraw/zinc/54/71/18/583547118.db2.gz JHXLBWWBZRVZGS-UHFFFAOYSA-N 1 2 237.253 3.134 20 0 BGADLO CC(F)(F)c1ccccc1NCc1c[nH+]c[nH]1 ZINC000894888849 583547116 /nfs/dbraw/zinc/54/71/16/583547116.db2.gz JHXLBWWBZRVZGS-UHFFFAOYSA-N 1 2 237.253 3.134 20 0 BGADLO Cc1ccc(C[NH+]2CC(C(F)(F)F)C2)c(F)c1 ZINC000894889994 583548296 /nfs/dbraw/zinc/54/82/96/583548296.db2.gz CFNLDZAQQAYVJU-UHFFFAOYSA-N 1 2 247.235 3.128 20 0 BGADLO Cc1cc(C[NH+]2CC(C(F)(F)F)C2)ccc1F ZINC000894891696 635999833 /nfs/dbraw/zinc/99/98/33/635999833.db2.gz CYCWHHYTIHYBGO-UHFFFAOYSA-N 1 2 247.235 3.128 20 0 BGADLO Cc1sccc1C[NH+]1CC(C(F)(F)F)C1 ZINC000894892044 583548772 /nfs/dbraw/zinc/54/87/72/583548772.db2.gz VLYYWQRYEALUJD-UHFFFAOYSA-N 1 2 235.274 3.051 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)c1C ZINC000894908233 583554077 /nfs/dbraw/zinc/55/40/77/583554077.db2.gz DXBPXYVPXVKHJR-DZGCQCFKSA-N 1 2 249.402 3.139 20 0 BGADLO Cc1[nH]nc(C[N@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)c1C ZINC000894908233 583554075 /nfs/dbraw/zinc/55/40/75/583554075.db2.gz DXBPXYVPXVKHJR-DZGCQCFKSA-N 1 2 249.402 3.139 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)c1C ZINC000894908234 583554114 /nfs/dbraw/zinc/55/41/14/583554114.db2.gz DXBPXYVPXVKHJR-HIFRSBDPSA-N 1 2 249.402 3.139 20 0 BGADLO Cc1[nH]nc(C[N@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)c1C ZINC000894908234 583554113 /nfs/dbraw/zinc/55/41/13/583554113.db2.gz DXBPXYVPXVKHJR-HIFRSBDPSA-N 1 2 249.402 3.139 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2C[C@H](C(C)C)[C@H]2C(C)C)c1C ZINC000894908235 583554416 /nfs/dbraw/zinc/55/44/16/583554416.db2.gz DXBPXYVPXVKHJR-UKRRQHHQSA-N 1 2 249.402 3.139 20 0 BGADLO Cc1[nH]nc(C[N@H+]2C[C@H](C(C)C)[C@H]2C(C)C)c1C ZINC000894908235 583554414 /nfs/dbraw/zinc/55/44/14/583554414.db2.gz DXBPXYVPXVKHJR-UKRRQHHQSA-N 1 2 249.402 3.139 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)c1C ZINC000894908236 583554124 /nfs/dbraw/zinc/55/41/24/583554124.db2.gz DXBPXYVPXVKHJR-ZFWWWQNUSA-N 1 2 249.402 3.139 20 0 BGADLO Cc1[nH]nc(C[N@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)c1C ZINC000894908236 583554122 /nfs/dbraw/zinc/55/41/22/583554122.db2.gz DXBPXYVPXVKHJR-ZFWWWQNUSA-N 1 2 249.402 3.139 20 0 BGADLO CCC(C)(C)CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000894909552 583554832 /nfs/dbraw/zinc/55/48/32/583554832.db2.gz FUOKSYLEQQPASS-LLVKDONJSA-N 1 2 236.359 3.373 20 0 BGADLO CCC(C)(C)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000894909553 583554668 /nfs/dbraw/zinc/55/46/68/583554668.db2.gz FUOKSYLEQQPASS-NSHDSACASA-N 1 2 236.359 3.373 20 0 BGADLO CCSCc1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000894916744 583555293 /nfs/dbraw/zinc/55/52/93/583555293.db2.gz ISGAVCFVUJNHBY-UHFFFAOYSA-N 1 2 247.367 3.275 20 0 BGADLO CCSCc1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000894916744 583555292 /nfs/dbraw/zinc/55/52/92/583555292.db2.gz ISGAVCFVUJNHBY-UHFFFAOYSA-N 1 2 247.367 3.275 20 0 BGADLO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894934441 583557943 /nfs/dbraw/zinc/55/79/43/583557943.db2.gz NUGMMDPFYHAUAC-GXFFZTMASA-N 1 2 235.375 3.037 20 0 BGADLO CC[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000894934441 583557942 /nfs/dbraw/zinc/55/79/42/583557942.db2.gz NUGMMDPFYHAUAC-GXFFZTMASA-N 1 2 235.375 3.037 20 0 BGADLO CC(C)c1c[nH]c(C[NH+]2CC3(C2)CCCCC3)n1 ZINC000894970674 583561205 /nfs/dbraw/zinc/56/12/05/583561205.db2.gz KILIJPXPXOZHFG-UHFFFAOYSA-N 1 2 247.386 3.299 20 0 BGADLO CCC1(CC)C[NH+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000894971177 583561006 /nfs/dbraw/zinc/56/10/06/583561006.db2.gz UGNXWHFFHMHRHZ-UHFFFAOYSA-N 1 2 235.375 3.155 20 0 BGADLO Cc1[nH]nc(C[NH+]2CC(C3CCCCC3)C2)c1C ZINC000894977762 583563231 /nfs/dbraw/zinc/56/32/31/583563231.db2.gz ZJCAHJXNZZSEDG-UHFFFAOYSA-N 1 2 247.386 3.039 20 0 BGADLO CC(C)c1c[nH]c(C[NH+]2CC(C3CCCC3)C2)n1 ZINC000894978861 583563467 /nfs/dbraw/zinc/56/34/67/583563467.db2.gz MCNIZXJRIHSBGK-UHFFFAOYSA-N 1 2 247.386 3.155 20 0 BGADLO Cc1coc(C[NH+]2CC(C)(CC(F)(F)F)C2)c1 ZINC000894980479 636010990 /nfs/dbraw/zinc/01/09/90/636010990.db2.gz QKKWQRDANCPEIV-UHFFFAOYSA-N 1 2 247.260 3.362 20 0 BGADLO CSc1cc(C)ccc1NCc1c[nH]c[nH+]1 ZINC000894990425 583563773 /nfs/dbraw/zinc/56/37/73/583563773.db2.gz GUXGTAWMSALUFI-UHFFFAOYSA-N 1 2 233.340 3.052 20 0 BGADLO CSc1cc(C)ccc1NCc1c[nH+]c[nH]1 ZINC000894990425 583563770 /nfs/dbraw/zinc/56/37/70/583563770.db2.gz GUXGTAWMSALUFI-UHFFFAOYSA-N 1 2 233.340 3.052 20 0 BGADLO C[C@@H](O)c1cccc(NCCCCC2CC2)[nH+]1 ZINC000895017881 583568891 /nfs/dbraw/zinc/56/88/91/583568891.db2.gz JBUOTHJAYVSZDL-LLVKDONJSA-N 1 2 234.343 3.127 20 0 BGADLO C[C@H](O)c1cccc(NCCCCC2CC2)[nH+]1 ZINC000895017882 583568841 /nfs/dbraw/zinc/56/88/41/583568841.db2.gz JBUOTHJAYVSZDL-NSHDSACASA-N 1 2 234.343 3.127 20 0 BGADLO CCC(=O)Nc1ccc2[nH+]c(C)cc(C)c2c1 ZINC000895061609 583577201 /nfs/dbraw/zinc/57/72/01/583577201.db2.gz DPTLOXGONLIYCP-UHFFFAOYSA-N 1 2 228.295 3.200 20 0 BGADLO Cc1cc(C)c2cc(NC(=O)C3CC3)ccc2[nH+]1 ZINC000895063133 583577424 /nfs/dbraw/zinc/57/74/24/583577424.db2.gz NKZFDCPTRZJPFR-UHFFFAOYSA-N 1 2 240.306 3.200 20 0 BGADLO Cc1ccc(NCc2c[nH]c[nH+]2)c(Cl)c1C ZINC000895076632 583581384 /nfs/dbraw/zinc/58/13/84/583581384.db2.gz XZHLOPVBPQODBR-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO Cc1ccc(NCc2c[nH+]c[nH]2)c(Cl)c1C ZINC000895076632 583581382 /nfs/dbraw/zinc/58/13/82/583581382.db2.gz XZHLOPVBPQODBR-UHFFFAOYSA-N 1 2 235.718 3.292 20 0 BGADLO C[C@@H](O)c1cccc(NCC2(CC3CC3)CC2)[nH+]1 ZINC000895133420 583601706 /nfs/dbraw/zinc/60/17/06/583601706.db2.gz KUTRTOXFNAUXAJ-LLVKDONJSA-N 1 2 246.354 3.127 20 0 BGADLO C[C@H](O)c1cccc(NCC2(CC3CC3)CC2)[nH+]1 ZINC000895133421 583601358 /nfs/dbraw/zinc/60/13/58/583601358.db2.gz KUTRTOXFNAUXAJ-NSHDSACASA-N 1 2 246.354 3.127 20 0 BGADLO CCC[C@@H](C)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000895134452 583601647 /nfs/dbraw/zinc/60/16/47/583601647.db2.gz YKYDKAIJYJLHGW-NEPJUHHUSA-N 1 2 236.359 3.373 20 0 BGADLO CCC[C@H](C)CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000895134453 583601561 /nfs/dbraw/zinc/60/15/61/583601561.db2.gz YKYDKAIJYJLHGW-NWDGAFQWSA-N 1 2 236.359 3.373 20 0 BGADLO CCC[C@H](C)CCNc1cccc([C@H](C)O)[nH+]1 ZINC000895134454 583601397 /nfs/dbraw/zinc/60/13/97/583601397.db2.gz YKYDKAIJYJLHGW-RYUDHWBXSA-N 1 2 236.359 3.373 20 0 BGADLO CCC[C@@H](C)CCNc1cccc([C@@H](C)O)[nH+]1 ZINC000895134455 583601565 /nfs/dbraw/zinc/60/15/65/583601565.db2.gz YKYDKAIJYJLHGW-VXGBXAGGSA-N 1 2 236.359 3.373 20 0 BGADLO CSc1ccc[nH+]c1NCc1cc(C)co1 ZINC000895141175 583603229 /nfs/dbraw/zinc/60/32/29/583603229.db2.gz VBXGGQKYAAIZKB-UHFFFAOYSA-N 1 2 234.324 3.317 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCc2cccnc21 ZINC000895141581 583603324 /nfs/dbraw/zinc/60/33/24/583603324.db2.gz CPESYXUVFWLTSH-CYBMUJFWSA-N 1 2 239.322 3.138 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCc2cccnc21 ZINC000895141582 583603263 /nfs/dbraw/zinc/60/32/63/583603263.db2.gz CPESYXUVFWLTSH-ZDUSSCGKSA-N 1 2 239.322 3.138 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCC[C@H](OC)CC1 ZINC000895141748 583603218 /nfs/dbraw/zinc/60/32/18/583603218.db2.gz FBRYGUMQPUIXIN-KBPBESRZSA-N 1 2 248.370 3.404 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCC[C@H](OC)CC1 ZINC000895141749 583603267 /nfs/dbraw/zinc/60/32/67/583603267.db2.gz FBRYGUMQPUIXIN-KGLIPLIRSA-N 1 2 248.370 3.404 20 0 BGADLO CCc1cc[nH+]cc1N[C@H]1CCC[C@@H](OC)CC1 ZINC000895141750 583603314 /nfs/dbraw/zinc/60/33/14/583603314.db2.gz FBRYGUMQPUIXIN-UONOGXRCSA-N 1 2 248.370 3.404 20 0 BGADLO CCc1cc[nH+]cc1N[C@@H]1CCC[C@@H](OC)CC1 ZINC000895141752 583603193 /nfs/dbraw/zinc/60/31/93/583603193.db2.gz FBRYGUMQPUIXIN-ZIAGYGMSSA-N 1 2 248.370 3.404 20 0 BGADLO CSc1cc(NCc2c[nH]c[nH+]2)ccc1C ZINC000895151038 583606886 /nfs/dbraw/zinc/60/68/86/583606886.db2.gz QROVCTDVCYNWHP-UHFFFAOYSA-N 1 2 233.340 3.052 20 0 BGADLO CSc1cc(NCc2c[nH+]c[nH]2)ccc1C ZINC000895151038 583606885 /nfs/dbraw/zinc/60/68/85/583606885.db2.gz QROVCTDVCYNWHP-UHFFFAOYSA-N 1 2 233.340 3.052 20 0 BGADLO CCc1cc[nH+]cc1NCc1cnc(F)cc1C ZINC000895165954 583611553 /nfs/dbraw/zinc/61/15/53/583611553.db2.gz OIBPLJYNIYTFLH-UHFFFAOYSA-N 1 2 245.301 3.099 20 0 BGADLO CCc1cc[nH+]cc1NCc1nc(C)c(C)s1 ZINC000895166044 583611558 /nfs/dbraw/zinc/61/15/58/583611558.db2.gz PSASXKMMHKXRQG-UHFFFAOYSA-N 1 2 247.367 3.329 20 0 BGADLO Cc1cc(N[C@H](C)C(F)F)nc(C2CCC2)[nH+]1 ZINC000895178380 583616496 /nfs/dbraw/zinc/61/64/96/583616496.db2.gz YLVMHUFVSFOQBH-MRVPVSSYSA-N 1 2 241.285 3.118 20 0 BGADLO Cc1cc(N[C@@H](C)C(F)F)nc(C2CCC2)[nH+]1 ZINC000895178381 583616184 /nfs/dbraw/zinc/61/61/84/583616184.db2.gz YLVMHUFVSFOQBH-QMMMGPOBSA-N 1 2 241.285 3.118 20 0 BGADLO COc1ccc2c(c1)C[N@H+](Cc1cc(C)co1)C2 ZINC000895187892 583619560 /nfs/dbraw/zinc/61/95/60/583619560.db2.gz IVJCIXCAUPUHLY-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO COc1ccc2c(c1)C[N@@H+](Cc1cc(C)co1)C2 ZINC000895187892 583619558 /nfs/dbraw/zinc/61/95/58/583619558.db2.gz IVJCIXCAUPUHLY-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO CN(CCCF)c1cc(C2CC2)[nH+]c(C2CC2)n1 ZINC000895245080 583631638 /nfs/dbraw/zinc/63/16/38/583631638.db2.gz QGOFFXFUDOJAKW-UHFFFAOYSA-N 1 2 249.333 3.027 20 0 BGADLO ClC(Cl)=CCNc1cc[nH+]c(C2CC2)n1 ZINC000895249915 583632125 /nfs/dbraw/zinc/63/21/25/583632125.db2.gz ZSSKIIMUDMLWMR-UHFFFAOYSA-N 1 2 244.125 3.085 20 0 BGADLO Cc1[nH]nc(C[NH+]2CCC(C3CCC3)CC2)c1C ZINC000895250998 583633290 /nfs/dbraw/zinc/63/32/90/583633290.db2.gz RISNATQNFPUPBN-UHFFFAOYSA-N 1 2 247.386 3.039 20 0 BGADLO c1[nH]cc(CNc2ccc3c(c2)C=CCCC3)[nH+]1 ZINC000895277481 583635901 /nfs/dbraw/zinc/63/59/01/583635901.db2.gz GQJAWXLOOLPTHD-UHFFFAOYSA-N 1 2 239.322 3.371 20 0 BGADLO c1[nH]c(CNc2ccc3c(c2)C=CCCC3)c[nH+]1 ZINC000895277481 583635899 /nfs/dbraw/zinc/63/58/99/583635899.db2.gz GQJAWXLOOLPTHD-UHFFFAOYSA-N 1 2 239.322 3.371 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CCC[C@H](C3CCC3)C2)c1C ZINC000895333697 583652831 /nfs/dbraw/zinc/65/28/31/583652831.db2.gz DIJHITHKAPSKAA-AWEZNQCLSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CCC[C@H](C3CCC3)C2)c1C ZINC000895333697 583652830 /nfs/dbraw/zinc/65/28/30/583652830.db2.gz DIJHITHKAPSKAA-AWEZNQCLSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@H+]2CCC[C@@H](C3CCC3)C2)c1C ZINC000895334011 583652838 /nfs/dbraw/zinc/65/28/38/583652838.db2.gz DIJHITHKAPSKAA-CQSZACIVSA-N 1 2 247.386 3.039 20 0 BGADLO Cc1[nH]nc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c1C ZINC000895334011 583652837 /nfs/dbraw/zinc/65/28/37/583652837.db2.gz DIJHITHKAPSKAA-CQSZACIVSA-N 1 2 247.386 3.039 20 0 BGADLO COc1cccc2c1C[N@@H+](Cc1cc(C)co1)C2 ZINC000895405854 583666470 /nfs/dbraw/zinc/66/64/70/583666470.db2.gz OWHASXFTTMYFDN-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO COc1cccc2c1C[N@H+](Cc1cc(C)co1)C2 ZINC000895405854 583666469 /nfs/dbraw/zinc/66/64/69/583666469.db2.gz OWHASXFTTMYFDN-UHFFFAOYSA-N 1 2 243.306 3.112 20 0 BGADLO CCCOc1ccc(NCc2c[nH]c[nH+]2)cc1C ZINC000895410453 583666483 /nfs/dbraw/zinc/66/64/83/583666483.db2.gz GWQLSMZSGDOPLH-UHFFFAOYSA-N 1 2 245.326 3.119 20 0 BGADLO CCCOc1ccc(NCc2c[nH+]c[nH]2)cc1C ZINC000895410453 583666481 /nfs/dbraw/zinc/66/64/81/583666481.db2.gz GWQLSMZSGDOPLH-UHFFFAOYSA-N 1 2 245.326 3.119 20 0 BGADLO C/C=C/C[C@@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895415041 583667402 /nfs/dbraw/zinc/66/74/02/583667402.db2.gz JNZODQSCMJFEAU-ISZGNANSSA-N 1 2 247.386 3.205 20 0 BGADLO C/C=C/C[C@@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895415041 583667401 /nfs/dbraw/zinc/66/74/01/583667401.db2.gz JNZODQSCMJFEAU-ISZGNANSSA-N 1 2 247.386 3.205 20 0 BGADLO C/C=C/C[C@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895415043 583667675 /nfs/dbraw/zinc/66/76/75/583667675.db2.gz JNZODQSCMJFEAU-NNTXTVRGSA-N 1 2 247.386 3.205 20 0 BGADLO C/C=C/C[C@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895415043 583667672 /nfs/dbraw/zinc/66/76/72/583667672.db2.gz JNZODQSCMJFEAU-NNTXTVRGSA-N 1 2 247.386 3.205 20 0 BGADLO C/C=C\C[C@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895415045 583667650 /nfs/dbraw/zinc/66/76/50/583667650.db2.gz JNZODQSCMJFEAU-WSNITJDQSA-N 1 2 247.386 3.205 20 0 BGADLO C/C=C\C[C@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895415045 583667648 /nfs/dbraw/zinc/66/76/48/583667648.db2.gz JNZODQSCMJFEAU-WSNITJDQSA-N 1 2 247.386 3.205 20 0 BGADLO C/C=C\C[C@@H]1CCC[N@@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895415047 583667096 /nfs/dbraw/zinc/66/70/96/583667096.db2.gz JNZODQSCMJFEAU-ZRUQZJFASA-N 1 2 247.386 3.205 20 0 BGADLO C/C=C\C[C@@H]1CCC[N@H+](Cc2n[nH]c(C)c2C)C1 ZINC000895415047 583667094 /nfs/dbraw/zinc/66/70/94/583667094.db2.gz JNZODQSCMJFEAU-ZRUQZJFASA-N 1 2 247.386 3.205 20 0 BGADLO C[C@H](O)c1cccc(NC[C@@]23C[C@@H]2CCCC3)[nH+]1 ZINC000895428678 583668414 /nfs/dbraw/zinc/66/84/14/583668414.db2.gz VPXUTFJAMLENHZ-SLEUVZQESA-N 1 2 246.354 3.127 20 0 BGADLO C[C@H](O)c1cccc(NC[C@]23C[C@H]2CCCC3)[nH+]1 ZINC000895428681 583668690 /nfs/dbraw/zinc/66/86/90/583668690.db2.gz VPXUTFJAMLENHZ-ZOWXZIJZSA-N 1 2 246.354 3.127 20 0 BGADLO C[C@@H](C[N@H+]1CC[C@@H]1C(F)F)c1ccccc1 ZINC000895430366 583669687 /nfs/dbraw/zinc/66/96/87/583669687.db2.gz CUNRAGBQAJCAPV-CMPLNLGQSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@@H](C[N@@H+]1CC[C@@H]1C(F)F)c1ccccc1 ZINC000895430366 583669684 /nfs/dbraw/zinc/66/96/84/583669684.db2.gz CUNRAGBQAJCAPV-CMPLNLGQSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@@H](C[N@H+]1CC[C@H]1C(F)F)c1ccccc1 ZINC000895430367 583669759 /nfs/dbraw/zinc/66/97/59/583669759.db2.gz CUNRAGBQAJCAPV-JQWIXIFHSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@@H](C[N@@H+]1CC[C@H]1C(F)F)c1ccccc1 ZINC000895430367 583669757 /nfs/dbraw/zinc/66/97/57/583669757.db2.gz CUNRAGBQAJCAPV-JQWIXIFHSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H](C[N@H+]1CC[C@H]1C(F)F)c1ccccc1 ZINC000895430368 583669471 /nfs/dbraw/zinc/66/94/71/583669471.db2.gz CUNRAGBQAJCAPV-PWSUYJOCSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H](C[N@@H+]1CC[C@H]1C(F)F)c1ccccc1 ZINC000895430368 583669470 /nfs/dbraw/zinc/66/94/70/583669470.db2.gz CUNRAGBQAJCAPV-PWSUYJOCSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H](C[N@H+]1CC[C@@H]1C(F)F)c1ccccc1 ZINC000895430369 583669602 /nfs/dbraw/zinc/66/96/02/583669602.db2.gz CUNRAGBQAJCAPV-ZYHUDNBSSA-N 1 2 225.282 3.130 20 0 BGADLO C[C@H](C[N@@H+]1CC[C@@H]1C(F)F)c1ccccc1 ZINC000895430369 583669599 /nfs/dbraw/zinc/66/95/99/583669599.db2.gz CUNRAGBQAJCAPV-ZYHUDNBSSA-N 1 2 225.282 3.130 20 0 BGADLO FC(F)[C@@H]1CC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000895431600 583670953 /nfs/dbraw/zinc/67/09/53/583670953.db2.gz NNWIXWULTSJFMQ-AVGNSLFASA-N 1 2 237.293 3.130 20 0 BGADLO FC(F)[C@@H]1CC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000895431600 583670951 /nfs/dbraw/zinc/67/09/51/583670951.db2.gz NNWIXWULTSJFMQ-AVGNSLFASA-N 1 2 237.293 3.130 20 0 BGADLO FC(F)[C@H]1CC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000895431602 583670572 /nfs/dbraw/zinc/67/05/72/583670572.db2.gz NNWIXWULTSJFMQ-RWMBFGLXSA-N 1 2 237.293 3.130 20 0 BGADLO FC(F)[C@H]1CC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000895431602 583670571 /nfs/dbraw/zinc/67/05/71/583670571.db2.gz NNWIXWULTSJFMQ-RWMBFGLXSA-N 1 2 237.293 3.130 20 0 BGADLO FC(F)[C@@H]1CC[N@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000895432528 583671164 /nfs/dbraw/zinc/67/11/64/583671164.db2.gz NNWIXWULTSJFMQ-AGIUHOORSA-N 1 2 237.293 3.130 20 0 BGADLO FC(F)[C@@H]1CC[N@@H+]1C[C@H]1C[C@H]1c1ccccc1 ZINC000895432528 583671162 /nfs/dbraw/zinc/67/11/62/583671162.db2.gz NNWIXWULTSJFMQ-AGIUHOORSA-N 1 2 237.293 3.130 20 0 BGADLO FC(F)[C@@H]1CC[N@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000895432534 583671459 /nfs/dbraw/zinc/67/14/59/583671459.db2.gz NNWIXWULTSJFMQ-UPJWGTAASA-N 1 2 237.293 3.130 20 0 BGADLO FC(F)[C@@H]1CC[N@@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000895432534 583671457 /nfs/dbraw/zinc/67/14/57/583671457.db2.gz NNWIXWULTSJFMQ-UPJWGTAASA-N 1 2 237.293 3.130 20 0 BGADLO FC(F)[C@@H]1CC[N@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000895432541 583671234 /nfs/dbraw/zinc/67/12/34/583671234.db2.gz NNWIXWULTSJFMQ-XQQFMLRXSA-N 1 2 237.293 3.130 20 0 BGADLO FC(F)[C@@H]1CC[N@@H+]1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000895432541 583671231 /nfs/dbraw/zinc/67/12/31/583671231.db2.gz NNWIXWULTSJFMQ-XQQFMLRXSA-N 1 2 237.293 3.130 20 0 BGADLO Cc1ncoc1C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC000895461618 583677587 /nfs/dbraw/zinc/67/75/87/583677587.db2.gz NIYHGLGQJONVPG-UHFFFAOYSA-N 1 2 248.326 3.163 20 0 BGADLO Fc1cc(C2CC2)ccc1NCc1c[nH]c[nH+]1 ZINC000895462307 583677991 /nfs/dbraw/zinc/67/79/91/583677991.db2.gz MDIHEIVYNYHTLY-UHFFFAOYSA-N 1 2 231.274 3.038 20 0 BGADLO Fc1cc(C2CC2)ccc1NCc1c[nH+]c[nH]1 ZINC000895462307 583677988 /nfs/dbraw/zinc/67/79/88/583677988.db2.gz MDIHEIVYNYHTLY-UHFFFAOYSA-N 1 2 231.274 3.038 20 0 BGADLO Cc1nnc(C[N@H+](C)CCCCC(C)C)s1 ZINC000895466004 583678947 /nfs/dbraw/zinc/67/89/47/583678947.db2.gz PETAFOWLWRLUSX-UHFFFAOYSA-N 1 2 241.404 3.105 20 0 BGADLO Cc1nnc(C[N@@H+](C)CCCCC(C)C)s1 ZINC000895466004 583678945 /nfs/dbraw/zinc/67/89/45/583678945.db2.gz PETAFOWLWRLUSX-UHFFFAOYSA-N 1 2 241.404 3.105 20 0 BGADLO CC(C)(C)c1coc(C[NH+]2CC(CC3CC3)C2)n1 ZINC000895516635 583683679 /nfs/dbraw/zinc/68/36/79/583683679.db2.gz VQPLRWCTLTWKLH-UHFFFAOYSA-N 1 2 248.370 3.204 20 0 BGADLO CCSc1ccc(C[NH2+]Cc2ccon2)cc1 ZINC000895526014 583684633 /nfs/dbraw/zinc/68/46/33/583684633.db2.gz DXQFINGCAXILQB-UHFFFAOYSA-N 1 2 248.351 3.076 20 0 BGADLO Fc1ccc(C[NH+]2CCC(F)CC2)c(F)c1F ZINC000895545897 583690054 /nfs/dbraw/zinc/69/00/54/583690054.db2.gz IJGHFODRCWOFEC-UHFFFAOYSA-N 1 2 247.235 3.038 20 0 BGADLO CC(C)c1cnc(C[NH+]2CCC(F)CC2)s1 ZINC000895546768 583689859 /nfs/dbraw/zinc/68/98/59/583689859.db2.gz DBYPSQSYNAAIIF-UHFFFAOYSA-N 1 2 242.363 3.200 20 0 BGADLO Fc1cc(F)c(C[NH+]2CCC(F)CC2)cc1F ZINC000895547097 583687017 /nfs/dbraw/zinc/68/70/17/583687017.db2.gz LKIJRJFBPHRDKM-UHFFFAOYSA-N 1 2 247.235 3.038 20 0 BGADLO Fc1cc(C[NH+]2CCC(F)CC2)cc(F)c1F ZINC000895548726 583686750 /nfs/dbraw/zinc/68/67/50/583686750.db2.gz CGGILEYHKRXHMT-UHFFFAOYSA-N 1 2 247.235 3.038 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000895596577 583695517 /nfs/dbraw/zinc/69/55/17/583695517.db2.gz HCACYDPFWXBPQO-UHFFFAOYSA-N 1 2 249.688 3.181 20 0 BGADLO CC(C)(C)c1ccc(NCc2c[nH]c[nH+]2)cc1F ZINC000895628996 583698295 /nfs/dbraw/zinc/69/82/95/583698295.db2.gz FDGCZSICJXKWQZ-UHFFFAOYSA-N 1 2 247.317 3.458 20 0 BGADLO CC(C)(C)c1ccc(NCc2c[nH+]c[nH]2)cc1F ZINC000895628996 583698293 /nfs/dbraw/zinc/69/82/93/583698293.db2.gz FDGCZSICJXKWQZ-UHFFFAOYSA-N 1 2 247.317 3.458 20 0 BGADLO Cc1cc(NC2CC(C(F)F)C2)c[nH+]c1C ZINC000895644483 636170778 /nfs/dbraw/zinc/17/07/78/636170778.db2.gz BFLCUKABJZKHTM-UHFFFAOYSA-N 1 2 226.270 3.154 20 0 BGADLO Cc1cc(NCC2CCSCC2)c[nH+]c1C ZINC000895645027 583700646 /nfs/dbraw/zinc/70/06/46/583700646.db2.gz KSDKQSLEESIGBW-UHFFFAOYSA-N 1 2 236.384 3.254 20 0 BGADLO Cc1cc(NC2CC(OC(C)C)C2)c[nH+]c1C ZINC000895645030 583700833 /nfs/dbraw/zinc/70/08/33/583700833.db2.gz KVSRLVACVWQXOS-UHFFFAOYSA-N 1 2 234.343 3.066 20 0 BGADLO CSC1(CNc2c[nH+]c(C)c(C)c2)CC1 ZINC000895645095 583700841 /nfs/dbraw/zinc/70/08/41/583700841.db2.gz MGMLYIWQTCPRIN-UHFFFAOYSA-N 1 2 222.357 3.006 20 0 BGADLO Cc1cc(NCc2ccnc(F)c2C)c[nH+]c1C ZINC000895645108 583700791 /nfs/dbraw/zinc/70/07/91/583700791.db2.gz MUOQNYWEVWKVDZ-UHFFFAOYSA-N 1 2 245.301 3.153 20 0 BGADLO CCn1cccc1CNc1c[nH+]c(C)c(C)c1 ZINC000895645307 583700519 /nfs/dbraw/zinc/70/05/19/583700519.db2.gz OOYDHTVNVIPSMS-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO Cc1cc(N[C@@H](C)[C@H]2CC2(F)F)c[nH+]c1C ZINC000895645336 583700322 /nfs/dbraw/zinc/70/03/22/583700322.db2.gz PJINHJNLAHIIHA-GXSJLCMTSA-N 1 2 226.270 3.154 20 0 BGADLO Cc1cc(N[C@H](C)[C@@H]2CC2(F)F)c[nH+]c1C ZINC000895645337 583700527 /nfs/dbraw/zinc/70/05/27/583700527.db2.gz PJINHJNLAHIIHA-KOLCDFICSA-N 1 2 226.270 3.154 20 0 BGADLO Cc1cc(N[C@H](C)[C@H]2CC2(F)F)c[nH+]c1C ZINC000895645338 583700621 /nfs/dbraw/zinc/70/06/21/583700621.db2.gz PJINHJNLAHIIHA-MWLCHTKSSA-N 1 2 226.270 3.154 20 0 BGADLO Cc1cc(N[C@@H](C)[C@@H]2CC2(F)F)c[nH+]c1C ZINC000895645339 583700467 /nfs/dbraw/zinc/70/04/67/583700467.db2.gz PJINHJNLAHIIHA-ONGXEEELSA-N 1 2 226.270 3.154 20 0 BGADLO Cc1cc(N[C@H]2CS[C@H](C)C2)c[nH+]c1C ZINC000895645355 583700367 /nfs/dbraw/zinc/70/03/67/583700367.db2.gz PQAJWQKIKJYRHZ-BXKDBHETSA-N 1 2 222.357 3.004 20 0 BGADLO Cc1cc(N[C@@H]2CS[C@@H](C)C2)c[nH+]c1C ZINC000895645356 583700554 /nfs/dbraw/zinc/70/05/54/583700554.db2.gz PQAJWQKIKJYRHZ-CABZTGNLSA-N 1 2 222.357 3.004 20 0 BGADLO Cc1cc(N[C@H]2CS[C@@H](C)C2)c[nH+]c1C ZINC000895645357 583700762 /nfs/dbraw/zinc/70/07/62/583700762.db2.gz PQAJWQKIKJYRHZ-JOYOIKCWSA-N 1 2 222.357 3.004 20 0 BGADLO Cc1cc(N[C@@H]2CS[C@H](C)C2)c[nH+]c1C ZINC000895645358 583700609 /nfs/dbraw/zinc/70/06/09/583700609.db2.gz PQAJWQKIKJYRHZ-SKDRFNHKSA-N 1 2 222.357 3.004 20 0 BGADLO CS[C@H]1CC[C@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000895645366 583700739 /nfs/dbraw/zinc/70/07/39/583700739.db2.gz PVVSNROECDOJBS-NEPJUHHUSA-N 1 2 222.357 3.004 20 0 BGADLO CS[C@@H]1CC[C@@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000895645367 583700581 /nfs/dbraw/zinc/70/05/81/583700581.db2.gz PVVSNROECDOJBS-NWDGAFQWSA-N 1 2 222.357 3.004 20 0 BGADLO CS[C@H]1CC[C@@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000895645368 583700410 /nfs/dbraw/zinc/70/04/10/583700410.db2.gz PVVSNROECDOJBS-RYUDHWBXSA-N 1 2 222.357 3.004 20 0 BGADLO CS[C@@H]1CC[C@H]1Nc1c[nH+]c(C)c(C)c1 ZINC000895645369 583700756 /nfs/dbraw/zinc/70/07/56/583700756.db2.gz PVVSNROECDOJBS-VXGBXAGGSA-N 1 2 222.357 3.004 20 0 BGADLO Cc1cc(NCc2cc(C3CC3)no2)c[nH+]c1C ZINC000895645522 583700320 /nfs/dbraw/zinc/70/03/20/583700320.db2.gz QOVXJWZSBIQHLG-UHFFFAOYSA-N 1 2 243.310 3.176 20 0 BGADLO Cc1cc(NC[C@H]2CC2(Cl)Cl)c[nH+]c1C ZINC000895646585 583698952 /nfs/dbraw/zinc/69/89/52/583698952.db2.gz WPXYYDBHUIXUBT-SECBINFHSA-N 1 2 245.153 3.304 20 0 BGADLO Cc1cc(NC[C@@H]2CC2(Cl)Cl)c[nH+]c1C ZINC000895646598 583698565 /nfs/dbraw/zinc/69/85/65/583698565.db2.gz WPXYYDBHUIXUBT-VIFPVBQESA-N 1 2 245.153 3.304 20 0 BGADLO Cc1c[nH]c(CN2c3ccccc3CC2(C)C)[nH+]1 ZINC000895649244 583699474 /nfs/dbraw/zinc/69/94/74/583699474.db2.gz XSBBSAZHMAAESZ-UHFFFAOYSA-N 1 2 241.338 3.059 20 0 BGADLO Fc1cc2c(cc1F)C[N@@H+](Cc1ccco1)CC2 ZINC000895656301 583701897 /nfs/dbraw/zinc/70/18/97/583701897.db2.gz POTLLAYGZYQOGA-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO Fc1cc2c(cc1F)C[N@H+](Cc1ccco1)CC2 ZINC000895656301 583701896 /nfs/dbraw/zinc/70/18/96/583701896.db2.gz POTLLAYGZYQOGA-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO Fc1cc2c(cc1F)C[N@@H+](Cc1ccoc1)CC2 ZINC000895656490 583701746 /nfs/dbraw/zinc/70/17/46/583701746.db2.gz QCMZTUQZEHUZOC-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO Fc1cc2c(cc1F)C[N@H+](Cc1ccoc1)CC2 ZINC000895656490 583701744 /nfs/dbraw/zinc/70/17/44/583701744.db2.gz QCMZTUQZEHUZOC-UHFFFAOYSA-N 1 2 249.260 3.116 20 0 BGADLO CCSCc1ccc[nH+]c1NC(C)C ZINC000895689569 583707462 /nfs/dbraw/zinc/70/74/62/583707462.db2.gz ZPCUSECYRYMFRH-UHFFFAOYSA-N 1 2 210.346 3.155 20 0 BGADLO c1ccc([C@@H](Nc2cccc[nH+]2)C2CC2)nc1 ZINC000895794588 583730349 /nfs/dbraw/zinc/73/03/49/583730349.db2.gz PGJAZBLLKKYPPM-AWEZNQCLSA-N 1 2 225.295 3.040 20 0 BGADLO c1ccc([C@H](Nc2cccc[nH+]2)C2CC2)nc1 ZINC000895794589 583730576 /nfs/dbraw/zinc/73/05/76/583730576.db2.gz PGJAZBLLKKYPPM-CQSZACIVSA-N 1 2 225.295 3.040 20 0 BGADLO CC(C)CN(Cc1ccccn1)c1cccc[nH+]1 ZINC000895859104 583737339 /nfs/dbraw/zinc/73/73/39/583737339.db2.gz ZPOLXVKSQSQTQM-UHFFFAOYSA-N 1 2 241.338 3.139 20 0 BGADLO CC(C)(/C=C\Cl)Nc1cc[nH+]c(C2CC2)n1 ZINC000895915888 583746328 /nfs/dbraw/zinc/74/63/28/583746328.db2.gz NVUMIFGFYDAHSJ-SREVYHEPSA-N 1 2 237.734 3.297 20 0 BGADLO CC(C)(/C=C/Cl)Nc1cc[nH+]c(C2CC2)n1 ZINC000895915889 583746207 /nfs/dbraw/zinc/74/62/07/583746207.db2.gz NVUMIFGFYDAHSJ-VOTSOKGWSA-N 1 2 237.734 3.297 20 0 BGADLO Cc1c[nH]c(CN2CCCCc3sccc32)[nH+]1 ZINC000895984086 583758886 /nfs/dbraw/zinc/75/88/86/583758886.db2.gz AYUIVNFYPKBFLH-UHFFFAOYSA-N 1 2 247.367 3.123 20 0 BGADLO Cc1cc(N[C@H](C)c2ccc(F)cc2C)nc[nH+]1 ZINC000896001595 583760459 /nfs/dbraw/zinc/76/04/59/583760459.db2.gz DBWBVQXHXNMOEC-LLVKDONJSA-N 1 2 245.301 3.406 20 0 BGADLO Cc1cc(F)ccc1[C@H](C)Nc1cc[nH+]c(C)n1 ZINC000896001976 583760402 /nfs/dbraw/zinc/76/04/02/583760402.db2.gz CZGWGXXETCLMRL-JTQLQIEISA-N 1 2 245.301 3.406 20 0 BGADLO COC1CCC(CNc2c[nH+]c(C)c(C)c2)CC1 ZINC000896020423 583764072 /nfs/dbraw/zinc/76/40/72/583764072.db2.gz AFPBSTLQLMHIBM-UHFFFAOYSA-N 1 2 248.370 3.316 20 0 BGADLO CCOc1ccc(CNc2c[nH+]c(C)c(C)c2)o1 ZINC000896020445 583763959 /nfs/dbraw/zinc/76/39/59/583763959.db2.gz BAIRNDFIRPUHAH-UHFFFAOYSA-N 1 2 246.310 3.302 20 0 BGADLO Cc1cc(CNc2c[nH+]c(C)c(C)c2)cnc1F ZINC000896021610 583764104 /nfs/dbraw/zinc/76/41/04/583764104.db2.gz LVPWKGIMSPPVFE-UHFFFAOYSA-N 1 2 245.301 3.153 20 0 BGADLO Cc1nc(CNc2c[nH+]c(C)c(C)c2)sc1C ZINC000896021639 583763855 /nfs/dbraw/zinc/76/38/55/583763855.db2.gz MWARETUOJNKXKQ-UHFFFAOYSA-N 1 2 247.367 3.384 20 0 BGADLO Cc1cc(NCc2cnc(F)cc2C)c[nH+]c1C ZINC000896021821 583764069 /nfs/dbraw/zinc/76/40/69/583764069.db2.gz OVZZWMWILJJDSI-UHFFFAOYSA-N 1 2 245.301 3.153 20 0 BGADLO CCc1onc(C)c1CNc1c[nH+]c(C)c(C)c1 ZINC000896022003 583763993 /nfs/dbraw/zinc/76/39/93/583763993.db2.gz QGPGIHALIWRONG-UHFFFAOYSA-N 1 2 245.326 3.169 20 0 BGADLO CC(C)Cc1ccc(C[NH2+][C@@H](C)C(F)F)cn1 ZINC000896038588 583766328 /nfs/dbraw/zinc/76/63/28/583766328.db2.gz UJBDLDSTGMCCGY-JTQLQIEISA-N 1 2 242.313 3.023 20 0 BGADLO CC(C)Cc1ccc(C[NH2+][C@H](C)C(F)F)cn1 ZINC000896038589 583766388 /nfs/dbraw/zinc/76/63/88/583766388.db2.gz UJBDLDSTGMCCGY-SNVBAGLBSA-N 1 2 242.313 3.023 20 0 BGADLO Cc1cc(C)c2cc(N[C@H](C)CCO)ccc2[nH+]1 ZINC000896064039 583767927 /nfs/dbraw/zinc/76/79/27/583767927.db2.gz HVHJKURTUCRYRF-LLVKDONJSA-N 1 2 244.338 3.034 20 0 BGADLO Cc1cc(C)c2cc(N[C@@H](C)CCO)ccc2[nH+]1 ZINC000896064041 583767890 /nfs/dbraw/zinc/76/78/90/583767890.db2.gz HVHJKURTUCRYRF-NSHDSACASA-N 1 2 244.338 3.034 20 0 BGADLO CCC[C@H](O)CCNc1[nH+]ccc(C)c1Cl ZINC000896186040 583780924 /nfs/dbraw/zinc/78/09/24/583780924.db2.gz LQACHOGCLSQQJL-JTQLQIEISA-N 1 2 242.750 3.006 20 0 BGADLO CCC[C@@H](O)CCNc1[nH+]ccc(C)c1Cl ZINC000896186041 583780792 /nfs/dbraw/zinc/78/07/92/583780792.db2.gz LQACHOGCLSQQJL-SNVBAGLBSA-N 1 2 242.750 3.006 20 0 BGADLO CCC[C@@H](O)CCNc1ccc2ccccc2[nH+]1 ZINC000896191146 583781267 /nfs/dbraw/zinc/78/12/67/583781267.db2.gz IIHJBXKAGFNPTG-CYBMUJFWSA-N 1 2 244.338 3.198 20 0 BGADLO CCC[C@H](O)CCNc1ccc2ccccc2[nH+]1 ZINC000896191147 583781479 /nfs/dbraw/zinc/78/14/79/583781479.db2.gz IIHJBXKAGFNPTG-ZDUSSCGKSA-N 1 2 244.338 3.198 20 0 BGADLO C[C@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)CCS1 ZINC000896243307 583784327 /nfs/dbraw/zinc/78/43/27/583784327.db2.gz AWIKWJRJSSGWLF-GXSJLCMTSA-N 1 2 249.383 3.050 20 0 BGADLO C[C@@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)CCS1 ZINC000896243308 583784373 /nfs/dbraw/zinc/78/43/73/583784373.db2.gz AWIKWJRJSSGWLF-KOLCDFICSA-N 1 2 249.383 3.050 20 0 BGADLO C[C@@H]1C[C@H](Nc2cc[nH+]c(C3CC3)n2)CCS1 ZINC000896243309 583784221 /nfs/dbraw/zinc/78/42/21/583784221.db2.gz AWIKWJRJSSGWLF-MWLCHTKSSA-N 1 2 249.383 3.050 20 0 BGADLO C[C@H]1C[C@@H](Nc2cc[nH+]c(C3CC3)n2)CCS1 ZINC000896243310 583784579 /nfs/dbraw/zinc/78/45/79/583784579.db2.gz AWIKWJRJSSGWLF-ONGXEEELSA-N 1 2 249.383 3.050 20 0 BGADLO Cc1cc(N[C@@H]2CCSC3(CCC3)C2)nc[nH+]1 ZINC000896245114 583785003 /nfs/dbraw/zinc/78/50/03/583785003.db2.gz FJPOZQVWZYWUSB-LLVKDONJSA-N 1 2 249.383 3.015 20 0 BGADLO Cc1cc(N[C@H]2CCSC3(CCC3)C2)nc[nH+]1 ZINC000896245115 583784772 /nfs/dbraw/zinc/78/47/72/583784772.db2.gz FJPOZQVWZYWUSB-NSHDSACASA-N 1 2 249.383 3.015 20 0 BGADLO Cc1nc(N[C@@H]2CCSC3(CCC3)C2)cc[nH+]1 ZINC000896253260 583785932 /nfs/dbraw/zinc/78/59/32/583785932.db2.gz FJCLAHACYWTYFN-LLVKDONJSA-N 1 2 249.383 3.015 20 0 BGADLO Cc1nc(N[C@H]2CCSC3(CCC3)C2)cc[nH+]1 ZINC000896253262 583785903 /nfs/dbraw/zinc/78/59/03/583785903.db2.gz FJCLAHACYWTYFN-NSHDSACASA-N 1 2 249.383 3.015 20 0 BGADLO c1ccc(N[C@@H]2CCSC3(CCC3)C2)[nH+]c1 ZINC000896255394 583786015 /nfs/dbraw/zinc/78/60/15/583786015.db2.gz JYZQQKZUEYHJEE-LLVKDONJSA-N 1 2 234.368 3.312 20 0 BGADLO c1ccc(N[C@H]2CCSC3(CCC3)C2)[nH+]c1 ZINC000896255395 583785885 /nfs/dbraw/zinc/78/58/85/583785885.db2.gz JYZQQKZUEYHJEE-NSHDSACASA-N 1 2 234.368 3.312 20 0 BGADLO C[C@@H](O)c1cccc(NCC2CCC=CCC2)[nH+]1 ZINC000896549527 583810194 /nfs/dbraw/zinc/81/01/94/583810194.db2.gz KHCWQKZGLBYFQX-GFCCVEGCSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@H](O)c1cccc(NCC2CCC=CCC2)[nH+]1 ZINC000896549529 583810111 /nfs/dbraw/zinc/81/01/11/583810111.db2.gz KHCWQKZGLBYFQX-LBPRGKRZSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@@H](O)c1ccc(NCC2CCC=CCC2)[nH+]c1 ZINC000896550651 583810328 /nfs/dbraw/zinc/81/03/28/583810328.db2.gz XFDMDAVEOARSTE-GFCCVEGCSA-N 1 2 246.354 3.293 20 0 BGADLO C[C@H](O)c1ccc(NCC2CCC=CCC2)[nH+]c1 ZINC000896550652 583810504 /nfs/dbraw/zinc/81/05/04/583810504.db2.gz XFDMDAVEOARSTE-LBPRGKRZSA-N 1 2 246.354 3.293 20 0 BGADLO CC(C)c1ccc(NCC[C@@H]2CCOC2)c[nH+]1 ZINC000896613364 583817497 /nfs/dbraw/zinc/81/74/97/583817497.db2.gz UWYUQAGFDSOBEN-GFCCVEGCSA-N 1 2 234.343 3.044 20 0 BGADLO CC(C)c1ccc(NCC[C@H]2CCOC2)c[nH+]1 ZINC000896613365 583817548 /nfs/dbraw/zinc/81/75/48/583817548.db2.gz UWYUQAGFDSOBEN-LBPRGKRZSA-N 1 2 234.343 3.044 20 0 BGADLO CC(C)c1ccc(NCCC[C@@H]2CCO2)c[nH+]1 ZINC000896619369 583818214 /nfs/dbraw/zinc/81/82/14/583818214.db2.gz UQDUNAYUYZQGFC-CYBMUJFWSA-N 1 2 234.343 3.186 20 0 BGADLO CC(C)c1ccc(NCCC[C@H]2CCO2)c[nH+]1 ZINC000896619375 583818363 /nfs/dbraw/zinc/81/83/63/583818363.db2.gz UQDUNAYUYZQGFC-ZDUSSCGKSA-N 1 2 234.343 3.186 20 0 BGADLO CC1(C)CC[C@H](CCNc2cccc[nH+]2)OC1 ZINC000896791375 583834248 /nfs/dbraw/zinc/83/42/48/583834248.db2.gz YPMLMFFFAQMDPG-GFCCVEGCSA-N 1 2 234.343 3.089 20 0 BGADLO CC1(C)CC[C@@H](CCNc2cccc[nH+]2)OC1 ZINC000896791376 583834169 /nfs/dbraw/zinc/83/41/69/583834169.db2.gz YPMLMFFFAQMDPG-LBPRGKRZSA-N 1 2 234.343 3.089 20 0 BGADLO C[C@@H](O)c1cccc(N[C@H]2CCCC3(CC3)C2)[nH+]1 ZINC000897042749 583874076 /nfs/dbraw/zinc/87/40/76/583874076.db2.gz PJXQPBGDSAZYOL-NEPJUHHUSA-N 1 2 246.354 3.270 20 0 BGADLO C[C@H](O)c1cccc(N[C@@H]2CCCC3(CC3)C2)[nH+]1 ZINC000897042750 583874229 /nfs/dbraw/zinc/87/42/29/583874229.db2.gz PJXQPBGDSAZYOL-NWDGAFQWSA-N 1 2 246.354 3.270 20 0 BGADLO C[C@H](O)c1cccc(N[C@H]2CCCC3(CC3)C2)[nH+]1 ZINC000897042751 583873839 /nfs/dbraw/zinc/87/38/39/583873839.db2.gz PJXQPBGDSAZYOL-RYUDHWBXSA-N 1 2 246.354 3.270 20 0 BGADLO C[C@@H](O)c1cccc(N[C@@H]2CCCC3(CC3)C2)[nH+]1 ZINC000897042752 583873946 /nfs/dbraw/zinc/87/39/46/583873946.db2.gz PJXQPBGDSAZYOL-VXGBXAGGSA-N 1 2 246.354 3.270 20 0 BGADLO CC1(C)C[C@@H](Nc2cccc[nH+]2)CCS1 ZINC000897061055 583875280 /nfs/dbraw/zinc/87/52/80/583875280.db2.gz FPAXUJVVEBUPON-JTQLQIEISA-N 1 2 222.357 3.168 20 0 BGADLO CC1(C)C[C@H](Nc2cccc[nH+]2)CCS1 ZINC000897061056 583875064 /nfs/dbraw/zinc/87/50/64/583875064.db2.gz FPAXUJVVEBUPON-SNVBAGLBSA-N 1 2 222.357 3.168 20 0 BGADLO c1cc(N2CC[C@@H]2C2CCCC2)nc(C2CC2)[nH+]1 ZINC000897155809 583886289 /nfs/dbraw/zinc/88/62/89/583886289.db2.gz MTXMZXGYIRAURW-CYBMUJFWSA-N 1 2 243.354 3.123 20 0 BGADLO c1cc(N2CC[C@H]2C2CCCC2)nc(C2CC2)[nH+]1 ZINC000897155810 583885959 /nfs/dbraw/zinc/88/59/59/583885959.db2.gz MTXMZXGYIRAURW-ZDUSSCGKSA-N 1 2 243.354 3.123 20 0 BGADLO Cc1cc(NCC[C@@H]2CCC(F)(F)C2)nc[nH+]1 ZINC000897236923 583900129 /nfs/dbraw/zinc/90/01/29/583900129.db2.gz YZPGADWCUJFWGX-JTQLQIEISA-N 1 2 241.285 3.022 20 0 BGADLO Cc1cc(NCC[C@H]2CCC(F)(F)C2)nc[nH+]1 ZINC000897236924 583900183 /nfs/dbraw/zinc/90/01/83/583900183.db2.gz YZPGADWCUJFWGX-SNVBAGLBSA-N 1 2 241.285 3.022 20 0 BGADLO Cc1nc(NCC[C@@H]2CCC(F)(F)C2)cc[nH+]1 ZINC000897239509 636281107 /nfs/dbraw/zinc/28/11/07/636281107.db2.gz HAQRZVXCDMAXRE-JTQLQIEISA-N 1 2 241.285 3.022 20 0 BGADLO Cc1nc(NCC[C@H]2CCC(F)(F)C2)cc[nH+]1 ZINC000897239510 636281406 /nfs/dbraw/zinc/28/14/06/636281406.db2.gz HAQRZVXCDMAXRE-SNVBAGLBSA-N 1 2 241.285 3.022 20 0 BGADLO FC1(F)CC[C@@H](CCNc2cccc[nH+]2)C1 ZINC000897239692 583901388 /nfs/dbraw/zinc/90/13/88/583901388.db2.gz MKXGVNOGLILBTB-JTQLQIEISA-N 1 2 226.270 3.319 20 0 BGADLO FC1(F)CC[C@H](CCNc2cccc[nH+]2)C1 ZINC000897239693 583901402 /nfs/dbraw/zinc/90/14/02/583901402.db2.gz MKXGVNOGLILBTB-SNVBAGLBSA-N 1 2 226.270 3.319 20 0 BGADLO CO[C@H](C)[C@@H](C)Nc1c[nH+]cc(C(C)C)c1 ZINC000897705905 584042972 /nfs/dbraw/zinc/04/29/72/584042972.db2.gz HYEHHGJPVZQWLE-GHMZBOCLSA-N 1 2 222.332 3.040 20 0 BGADLO CO[C@@H](C)[C@@H](C)Nc1c[nH+]cc(C(C)C)c1 ZINC000897705906 584042816 /nfs/dbraw/zinc/04/28/16/584042816.db2.gz HYEHHGJPVZQWLE-MNOVXSKESA-N 1 2 222.332 3.040 20 0 BGADLO CO[C@@H](C)[C@H](C)Nc1c[nH+]cc(C(C)C)c1 ZINC000897705907 584042744 /nfs/dbraw/zinc/04/27/44/584042744.db2.gz HYEHHGJPVZQWLE-QWRGUYRKSA-N 1 2 222.332 3.040 20 0 BGADLO CO[C@H](C)[C@H](C)Nc1c[nH+]cc(C(C)C)c1 ZINC000897705908 584042886 /nfs/dbraw/zinc/04/28/86/584042886.db2.gz HYEHHGJPVZQWLE-WDEREUQCSA-N 1 2 222.332 3.040 20 0 BGADLO CC(C)c1c[nH+]cc(NC2CCC(C)(O)CC2)c1 ZINC000897706745 584041530 /nfs/dbraw/zinc/04/15/30/584041530.db2.gz SWIIYFISRGIXTO-UHFFFAOYSA-N 1 2 248.370 3.311 20 0 BGADLO COCC[C@@H](C)Nc1c[nH+]cc(C(C)C)c1 ZINC000897706834 584041444 /nfs/dbraw/zinc/04/14/44/584041444.db2.gz ARMMFILVSZZXFO-LLVKDONJSA-N 1 2 222.332 3.042 20 0 BGADLO COCC[C@H](C)Nc1c[nH+]cc(C(C)C)c1 ZINC000897706835 584041436 /nfs/dbraw/zinc/04/14/36/584041436.db2.gz ARMMFILVSZZXFO-NSHDSACASA-N 1 2 222.332 3.042 20 0 BGADLO CC(C)c1c[nH+]cc(NCC[C@@H]2CCOC2)c1 ZINC000897706859 584041816 /nfs/dbraw/zinc/04/18/16/584041816.db2.gz BPJCQZZINYRBNV-GFCCVEGCSA-N 1 2 234.343 3.044 20 0 BGADLO CC(C)c1c[nH+]cc(NCC[C@H]2CCOC2)c1 ZINC000897706860 584041549 /nfs/dbraw/zinc/04/15/49/584041549.db2.gz BPJCQZZINYRBNV-LBPRGKRZSA-N 1 2 234.343 3.044 20 0 BGADLO CCn1c[nH+]cc1CNc1cncc(C(C)C)c1 ZINC000897706863 584041664 /nfs/dbraw/zinc/04/16/64/584041664.db2.gz BWPWIHZMYUJTLW-UHFFFAOYSA-N 1 2 244.342 3.034 20 0 BGADLO CCn1cc(CNc2c[nH+]cc(C(C)C)c2)cn1 ZINC000897706877 584041575 /nfs/dbraw/zinc/04/15/75/584041575.db2.gz CJVHQJGHHGDOLZ-UHFFFAOYSA-N 1 2 244.342 3.034 20 0 BGADLO Cc1noc(C)c1CNc1c[nH+]cc(C(C)C)c1 ZINC000897706896 584041432 /nfs/dbraw/zinc/04/14/32/584041432.db2.gz DCRYLQUPKDMWRV-UHFFFAOYSA-N 1 2 245.326 3.422 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H]2CCO[C@@H](C)C2)c1 ZINC000897706908 584041370 /nfs/dbraw/zinc/04/13/70/584041370.db2.gz DSKCYNCOZRYFGI-AAEUAGOBSA-N 1 2 234.343 3.184 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H]2CCO[C@H](C)C2)c1 ZINC000897706909 584041693 /nfs/dbraw/zinc/04/16/93/584041693.db2.gz DSKCYNCOZRYFGI-DGCLKSJQSA-N 1 2 234.343 3.184 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H]2CCO[C@@H](C)C2)c1 ZINC000897706910 584041763 /nfs/dbraw/zinc/04/17/63/584041763.db2.gz DSKCYNCOZRYFGI-WCQYABFASA-N 1 2 234.343 3.184 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H]2CCO[C@H](C)C2)c1 ZINC000897706911 584041741 /nfs/dbraw/zinc/04/17/41/584041741.db2.gz DSKCYNCOZRYFGI-YPMHNXCESA-N 1 2 234.343 3.184 20 0 BGADLO CC(C)c1c[nH+]cc(NCc2ccncc2)c1 ZINC000897707013 584041647 /nfs/dbraw/zinc/04/16/47/584041647.db2.gz DTNYIYLSEMUGFO-UHFFFAOYSA-N 1 2 227.311 3.212 20 0 BGADLO CC(C)c1c[nH+]cc(NCC2(C)CCOCC2)c1 ZINC000897707030 584041650 /nfs/dbraw/zinc/04/16/50/584041650.db2.gz FTYMGDPXBWKJGA-UHFFFAOYSA-N 1 2 248.370 3.434 20 0 BGADLO CCOC[C@@H](C)Nc1c[nH+]cc(C(C)C)c1 ZINC000897707051 584041334 /nfs/dbraw/zinc/04/13/34/584041334.db2.gz GPMLDQZFPOSUIH-LLVKDONJSA-N 1 2 222.332 3.042 20 0 BGADLO CCOC[C@H](C)Nc1c[nH+]cc(C(C)C)c1 ZINC000897707052 584041701 /nfs/dbraw/zinc/04/17/01/584041701.db2.gz GPMLDQZFPOSUIH-NSHDSACASA-N 1 2 222.332 3.042 20 0 BGADLO CC(C)c1c[nH+]cc(NC[C@H]2CCCOC2)c1 ZINC000897707058 584041579 /nfs/dbraw/zinc/04/15/79/584041579.db2.gz GSKBAFOGQMZFHH-GFCCVEGCSA-N 1 2 234.343 3.044 20 0 BGADLO CC(C)c1c[nH+]cc(NC[C@@H]2CCCOC2)c1 ZINC000897707059 584041383 /nfs/dbraw/zinc/04/13/83/584041383.db2.gz GSKBAFOGQMZFHH-LBPRGKRZSA-N 1 2 234.343 3.044 20 0 BGADLO CO[C@@H](CNc1c[nH+]cc(C(C)C)c1)C1CC1 ZINC000897707064 584041374 /nfs/dbraw/zinc/04/13/74/584041374.db2.gz GVFQFESNBMBESC-AWEZNQCLSA-N 1 2 234.343 3.042 20 0 BGADLO CO[C@H](CNc1c[nH+]cc(C(C)C)c1)C1CC1 ZINC000897707065 584041519 /nfs/dbraw/zinc/04/15/19/584041519.db2.gz GVFQFESNBMBESC-CQSZACIVSA-N 1 2 234.343 3.042 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H]2CCOC[C@H]2C)c1 ZINC000897707069 584041394 /nfs/dbraw/zinc/04/13/94/584041394.db2.gz GZALUQVDASMNTK-BXUZGUMPSA-N 1 2 234.343 3.042 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H]2CCOC[C@@H]2C)c1 ZINC000897707070 584041402 /nfs/dbraw/zinc/04/14/02/584041402.db2.gz GZALUQVDASMNTK-FZMZJTMJSA-N 1 2 234.343 3.042 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H]2CCOC[C@H]2C)c1 ZINC000897707071 584041691 /nfs/dbraw/zinc/04/16/91/584041691.db2.gz GZALUQVDASMNTK-RISCZKNCSA-N 1 2 234.343 3.042 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H]2CCOC[C@@H]2C)c1 ZINC000897707072 584041660 /nfs/dbraw/zinc/04/16/60/584041660.db2.gz GZALUQVDASMNTK-SMDDNHRTSA-N 1 2 234.343 3.042 20 0 BGADLO CC(C)c1c[nH+]cc(NCC2(F)CC2)c1 ZINC000897707090 584041678 /nfs/dbraw/zinc/04/16/78/584041678.db2.gz HLKMJTHTXMDPDI-UHFFFAOYSA-N 1 2 208.280 3.119 20 0 BGADLO Cc1nocc1CNc1c[nH+]cc(C(C)C)c1 ZINC000897707097 584041849 /nfs/dbraw/zinc/04/18/49/584041849.db2.gz HMTLDTCXEJUSRM-UHFFFAOYSA-N 1 2 231.299 3.114 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H](C)[C@H]2CCCO2)c1 ZINC000897707110 584041717 /nfs/dbraw/zinc/04/17/17/584041717.db2.gz HUFXBHGCQDZXNY-BXUZGUMPSA-N 1 2 234.343 3.184 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000897707111 584041770 /nfs/dbraw/zinc/04/17/70/584041770.db2.gz HUFXBHGCQDZXNY-FZMZJTMJSA-N 1 2 234.343 3.184 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H](C)[C@@H]2CCCO2)c1 ZINC000897707138 584041672 /nfs/dbraw/zinc/04/16/72/584041672.db2.gz HUFXBHGCQDZXNY-RISCZKNCSA-N 1 2 234.343 3.184 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H](C)[C@H]2CCCO2)c1 ZINC000897707140 584041416 /nfs/dbraw/zinc/04/14/16/584041416.db2.gz HUFXBHGCQDZXNY-SMDDNHRTSA-N 1 2 234.343 3.184 20 0 BGADLO CC(C)c1c[nH+]cc(NCc2ccn(C)c2)c1 ZINC000897707141 584041447 /nfs/dbraw/zinc/04/14/47/584041447.db2.gz HZEKHDIYXWUYNI-UHFFFAOYSA-N 1 2 229.327 3.156 20 0 BGADLO CC(C)c1c[nH+]cc(NCc2ccncc2F)c1 ZINC000897707257 584041788 /nfs/dbraw/zinc/04/17/88/584041788.db2.gz JFQQZTGUFOVGBA-UHFFFAOYSA-N 1 2 245.301 3.351 20 0 BGADLO CCc1nocc1CNc1c[nH+]cc(C(C)C)c1 ZINC000897707265 584041749 /nfs/dbraw/zinc/04/17/49/584041749.db2.gz JHZWRAJIUQCKDD-UHFFFAOYSA-N 1 2 245.326 3.368 20 0 BGADLO CC(C)c1c[nH+]cc(NCc2cccnc2)c1 ZINC000897707277 584041636 /nfs/dbraw/zinc/04/16/36/584041636.db2.gz KCOFLZCPJAAICH-UHFFFAOYSA-N 1 2 227.311 3.212 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H](C)[C@@H]2CCCOC2)c1 ZINC000897707309 584041674 /nfs/dbraw/zinc/04/16/74/584041674.db2.gz LQOVUUJNSBQIPX-CHWSQXEVSA-N 1 2 248.370 3.432 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H](C)[C@H]2CCCOC2)c1 ZINC000897707310 584041738 /nfs/dbraw/zinc/04/17/38/584041738.db2.gz LQOVUUJNSBQIPX-OLZOCXBDSA-N 1 2 248.370 3.432 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H](C)[C@@H]2CCCOC2)c1 ZINC000897707311 584041589 /nfs/dbraw/zinc/04/15/89/584041589.db2.gz LQOVUUJNSBQIPX-QWHCGFSZSA-N 1 2 248.370 3.432 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H](C)[C@H]2CCCOC2)c1 ZINC000897707331 584041362 /nfs/dbraw/zinc/04/13/62/584041362.db2.gz LQOVUUJNSBQIPX-STQMWFEESA-N 1 2 248.370 3.432 20 0 BGADLO CC(C)c1c[nH+]cc(NC[C@H]2CCSC2)c1 ZINC000897707338 584041735 /nfs/dbraw/zinc/04/17/35/584041735.db2.gz LSOAYSVOSTUZMJ-LLVKDONJSA-N 1 2 236.384 3.370 20 0 BGADLO CC(C)c1c[nH+]cc(NC[C@@H]2CCSC2)c1 ZINC000897707339 584041618 /nfs/dbraw/zinc/04/16/18/584041618.db2.gz LSOAYSVOSTUZMJ-NSHDSACASA-N 1 2 236.384 3.370 20 0 BGADLO Cc1[nH]c(CNc2cncc(C(C)C)c2)[nH+]c1C ZINC000897707364 584041451 /nfs/dbraw/zinc/04/14/51/584041451.db2.gz MGHFCBYMQNKHRM-UHFFFAOYSA-N 1 2 244.342 3.157 20 0 BGADLO CC[C@H](COC)Nc1c[nH+]cc(C(C)C)c1 ZINC000897707378 584041643 /nfs/dbraw/zinc/04/16/43/584041643.db2.gz MRRNTYGVCPPJJS-GFCCVEGCSA-N 1 2 222.332 3.042 20 0 BGADLO CC[C@@H](COC)Nc1c[nH+]cc(C(C)C)c1 ZINC000897707379 584041645 /nfs/dbraw/zinc/04/16/45/584041645.db2.gz MRRNTYGVCPPJJS-LBPRGKRZSA-N 1 2 222.332 3.042 20 0 BGADLO CCn1cc[nH+]c1CNc1cncc(C(C)C)c1 ZINC000897707406 584041754 /nfs/dbraw/zinc/04/17/54/584041754.db2.gz NFCQLJVTPAMITB-UHFFFAOYSA-N 1 2 244.342 3.034 20 0 BGADLO CC(C)c1c[nH+]cc(NC[C@@H]2CCC=CO2)c1 ZINC000897707432 584041365 /nfs/dbraw/zinc/04/13/65/584041365.db2.gz OBKSHXHNDBKWEE-AWEZNQCLSA-N 1 2 232.327 3.310 20 0 BGADLO CC(C)c1c[nH+]cc(NC[C@H]2CCC=CO2)c1 ZINC000897707433 584041640 /nfs/dbraw/zinc/04/16/40/584041640.db2.gz OBKSHXHNDBKWEE-CQSZACIVSA-N 1 2 232.327 3.310 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H](C)[C@H]2CCOC2)c1 ZINC000897707440 584041486 /nfs/dbraw/zinc/04/14/86/584041486.db2.gz OIAUIUJYHONGAL-NEPJUHHUSA-N 1 2 234.343 3.042 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H](C)[C@@H]2CCOC2)c1 ZINC000897707441 584041667 /nfs/dbraw/zinc/04/16/67/584041667.db2.gz OIAUIUJYHONGAL-NWDGAFQWSA-N 1 2 234.343 3.042 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H](C)[C@H]2CCOC2)c1 ZINC000897707442 584041684 /nfs/dbraw/zinc/04/16/84/584041684.db2.gz OIAUIUJYHONGAL-RYUDHWBXSA-N 1 2 234.343 3.042 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H](C)[C@@H]2CCOC2)c1 ZINC000897707443 584041368 /nfs/dbraw/zinc/04/13/68/584041368.db2.gz OIAUIUJYHONGAL-VXGBXAGGSA-N 1 2 234.343 3.042 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H]2CCCOCC2)c1 ZINC000897707476 584041778 /nfs/dbraw/zinc/04/17/78/584041778.db2.gz PHSQZJHQJCEREW-CYBMUJFWSA-N 1 2 234.343 3.186 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H]2CCCOCC2)c1 ZINC000897707477 584041555 /nfs/dbraw/zinc/04/15/55/584041555.db2.gz PHSQZJHQJCEREW-ZDUSSCGKSA-N 1 2 234.343 3.186 20 0 BGADLO CC(C)c1c[nH+]cc(NCCC[C@H]2CCO2)c1 ZINC000897707479 584041630 /nfs/dbraw/zinc/04/16/30/584041630.db2.gz PLNYELIGPJYAOQ-AWEZNQCLSA-N 1 2 234.343 3.186 20 0 BGADLO CC(C)c1c[nH+]cc(NCCC[C@@H]2CCO2)c1 ZINC000897707480 584041463 /nfs/dbraw/zinc/04/14/63/584041463.db2.gz PLNYELIGPJYAOQ-CQSZACIVSA-N 1 2 234.343 3.186 20 0 BGADLO C=Cn1cc(CNc2c[nH+]cc(C(C)C)c2)cn1 ZINC000897707515 584041713 /nfs/dbraw/zinc/04/17/13/584041713.db2.gz QPXAYYILHZQNKH-UHFFFAOYSA-N 1 2 242.326 3.114 20 0 BGADLO CC(C)c1c[nH+]cc(NCc2cc[nH]c2)c1 ZINC000897707585 584042049 /nfs/dbraw/zinc/04/20/49/584042049.db2.gz UCBJPZWHLQWRRL-UHFFFAOYSA-N 1 2 215.300 3.145 20 0 BGADLO CC(C)c1c[nH+]cc(NCc2ccc(F)nc2)c1 ZINC000897707591 584042228 /nfs/dbraw/zinc/04/22/28/584042228.db2.gz UGZPFRKGLATTTG-UHFFFAOYSA-N 1 2 245.301 3.351 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H](C)C2CCOCC2)c1 ZINC000897707607 584042087 /nfs/dbraw/zinc/04/20/87/584042087.db2.gz UOCXYXUMPGRNLJ-GFCCVEGCSA-N 1 2 248.370 3.432 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H](C)C2CCOCC2)c1 ZINC000897707608 584042464 /nfs/dbraw/zinc/04/24/64/584042464.db2.gz UOCXYXUMPGRNLJ-LBPRGKRZSA-N 1 2 248.370 3.432 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H]2CCSC2)c1 ZINC000897707617 584042104 /nfs/dbraw/zinc/04/21/04/584042104.db2.gz UYLVFFXMJBXLMI-LLVKDONJSA-N 1 2 222.357 3.122 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H]2CCSC2)c1 ZINC000897707618 584042402 /nfs/dbraw/zinc/04/24/02/584042402.db2.gz UYLVFFXMJBXLMI-NSHDSACASA-N 1 2 222.357 3.122 20 0 BGADLO CC(C)c1c[nH+]cc(NCc2ccoc2)c1 ZINC000897707687 584042174 /nfs/dbraw/zinc/04/21/74/584042174.db2.gz YBFJPHCXICCIAH-UHFFFAOYSA-N 1 2 216.284 3.410 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H](C)C[C@H]2CCOC2)c1 ZINC000897707689 584042275 /nfs/dbraw/zinc/04/22/75/584042275.db2.gz YDLKZWCPYOQHQY-CHWSQXEVSA-N 1 2 248.370 3.432 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@H](C)C[C@@H]2CCOC2)c1 ZINC000897707690 584042517 /nfs/dbraw/zinc/04/25/17/584042517.db2.gz YDLKZWCPYOQHQY-OLZOCXBDSA-N 1 2 248.370 3.432 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H](C)C[C@H]2CCOC2)c1 ZINC000897707691 584042142 /nfs/dbraw/zinc/04/21/42/584042142.db2.gz YDLKZWCPYOQHQY-QWHCGFSZSA-N 1 2 248.370 3.432 20 0 BGADLO CC(C)c1c[nH+]cc(N[C@@H](C)C[C@@H]2CCOC2)c1 ZINC000897707692 584042164 /nfs/dbraw/zinc/04/21/64/584042164.db2.gz YDLKZWCPYOQHQY-STQMWFEESA-N 1 2 248.370 3.432 20 0 BGADLO CC(C)(C)Oc1cccc(NCc2c[nH]c[nH+]2)c1 ZINC000897753505 584044076 /nfs/dbraw/zinc/04/40/76/584044076.db2.gz QLKUXGXJGZZFJI-UHFFFAOYSA-N 1 2 245.326 3.199 20 0 BGADLO CC(C)(C)Oc1cccc(NCc2c[nH+]c[nH]2)c1 ZINC000897753505 584044075 /nfs/dbraw/zinc/04/40/75/584044075.db2.gz QLKUXGXJGZZFJI-UHFFFAOYSA-N 1 2 245.326 3.199 20 0 BGADLO CC(C)(C)Oc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000897754796 584044036 /nfs/dbraw/zinc/04/40/36/584044036.db2.gz OYRJWBWHNDLDSU-UHFFFAOYSA-N 1 2 245.326 3.199 20 0 BGADLO CCCC(=O)Nc1ccc(-c2[nH]cc(C)[nH+]2)cc1 ZINC000898382985 584130739 /nfs/dbraw/zinc/13/07/39/584130739.db2.gz LVAWYZFFXAFCNP-UHFFFAOYSA-N 1 2 243.310 3.124 20 0 BGADLO CC(C)(C)c1nc(C[NH2+]C/C=C\Cl)cs1 ZINC000898437042 637041809 /nfs/dbraw/zinc/04/18/09/637041809.db2.gz XWWRJHJEPFQQMZ-PLNGDYQASA-N 1 2 244.791 3.283 20 0 BGADLO CC(C)(C)c1nc(C[NH2+]C/C=C/Cl)cs1 ZINC000898437165 637042758 /nfs/dbraw/zinc/04/27/58/637042758.db2.gz XWWRJHJEPFQQMZ-SNAWJCMRSA-N 1 2 244.791 3.283 20 0 BGADLO CCn1c[nH+]c(/C=C\c2nc3c(s2)CCC3)c1 ZINC000899389242 584209530 /nfs/dbraw/zinc/20/95/30/584209530.db2.gz DVTJBAWRCFJIDB-SREVYHEPSA-N 1 2 245.351 3.019 20 0 BGADLO CCn1c[nH+]c(/C=C/c2nc3c(s2)CCC3)c1 ZINC000899389243 584209593 /nfs/dbraw/zinc/20/95/93/584209593.db2.gz DVTJBAWRCFJIDB-VOTSOKGWSA-N 1 2 245.351 3.019 20 0 BGADLO COC/C(C)=C/CSc1[nH+]cc2ccccn21 ZINC000901411297 584440793 /nfs/dbraw/zinc/44/07/93/584440793.db2.gz HLDREEAOBYZYPL-IZZDOVSWSA-N 1 2 248.351 3.019 20 0 BGADLO COC/C(C)=C\CSc1[nH+]cc2ccccn21 ZINC000901411298 584440915 /nfs/dbraw/zinc/44/09/15/584440915.db2.gz HLDREEAOBYZYPL-WDZFZDKYSA-N 1 2 248.351 3.019 20 0 BGADLO CC(C)[C@H]([NH2+]CCCCCF)C(F)(F)F ZINC000901411930 584440872 /nfs/dbraw/zinc/44/08/72/584440872.db2.gz BXWSMVPORIUXCU-VIFPVBQESA-N 1 2 229.261 3.303 20 0 BGADLO C=C/C=C\CC[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000901412258 584440938 /nfs/dbraw/zinc/44/09/38/584440938.db2.gz GORKXINDLFGULX-OMMCCPJFSA-N 1 2 221.266 3.295 20 0 BGADLO C=C/C=C/CC[NH2+][C@@H](C(C)C)C(F)(F)F ZINC000901412259 584440801 /nfs/dbraw/zinc/44/08/01/584440801.db2.gz GORKXINDLFGULX-PORFMDCZSA-N 1 2 221.266 3.295 20 0 BGADLO CC(C)[C@H]([NH2+]CC1CC=CC1)C(F)(F)F ZINC000901412823 584440857 /nfs/dbraw/zinc/44/08/57/584440857.db2.gz NDOMPTHZLPCGKF-JTQLQIEISA-N 1 2 221.266 3.129 20 0 BGADLO CC(C)[C@H]([NH2+]CC1CC(F)(F)C1)C(F)(F)F ZINC000901413475 584440752 /nfs/dbraw/zinc/44/07/52/584440752.db2.gz WFPGVLMOLGCRSI-QMMMGPOBSA-N 1 2 245.235 3.208 20 0 BGADLO COC(C)(C)CC[NH2+]c1ccc2c(c1)C[C@@H](C)O2 ZINC000901446810 584447431 /nfs/dbraw/zinc/44/74/31/584447431.db2.gz KNHSTOYAVKVPOD-LLVKDONJSA-N 1 2 249.354 3.237 20 0 BGADLO COC(C)(C)CC[NH2+]c1ccc2c(c1)C[C@H](C)O2 ZINC000901446812 584447299 /nfs/dbraw/zinc/44/72/99/584447299.db2.gz KNHSTOYAVKVPOD-NSHDSACASA-N 1 2 249.354 3.237 20 0 BGADLO CC(C)c1ccccc1COCc1[nH]cc[nH+]1 ZINC000901528852 584458865 /nfs/dbraw/zinc/45/88/65/584458865.db2.gz MCDUQHPCCOJVIU-UHFFFAOYSA-N 1 2 230.311 3.250 20 0 BGADLO COC/C(C)=C/Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000901534715 584460294 /nfs/dbraw/zinc/46/02/94/584460294.db2.gz CPUUCNUNFFJFGE-VZUCSPMQSA-N 1 2 244.338 3.246 20 0 BGADLO COC/C(C)=C\Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000901534716 584460184 /nfs/dbraw/zinc/46/01/84/584460184.db2.gz CPUUCNUNFFJFGE-WZUFQYTHSA-N 1 2 244.338 3.246 20 0 BGADLO CCn1c[nH+]cc1/C=C\c1nc2c(s1)CCC2 ZINC000901551153 710871626 /nfs/dbraw/zinc/87/16/26/710871626.db2.gz GXYIMBWOWKGTKN-SREVYHEPSA-N 1 2 245.351 3.019 20 0 BGADLO CCn1c[nH+]cc1/C=C/c1nc2c(s1)CCC2 ZINC000901551155 710871561 /nfs/dbraw/zinc/87/15/61/710871561.db2.gz GXYIMBWOWKGTKN-VOTSOKGWSA-N 1 2 245.351 3.019 20 0 BGADLO Cc1[nH]c(/C=C\c2nc3c(s2)CCC3)[nH+]c1C ZINC000901552792 584465013 /nfs/dbraw/zinc/46/50/13/584465013.db2.gz WRMDQLCCARMMJY-SREVYHEPSA-N 1 2 245.351 3.142 20 0 BGADLO Cc1[nH]c(/C=C/c2nc3c(s2)CCC3)[nH+]c1C ZINC000901552793 584465358 /nfs/dbraw/zinc/46/53/58/584465358.db2.gz WRMDQLCCARMMJY-VOTSOKGWSA-N 1 2 245.351 3.142 20 0 BGADLO Cc1[nH+]cc(Br)n1CC1CC(C)C1 ZINC000901586129 584465176 /nfs/dbraw/zinc/46/51/76/584465176.db2.gz MSAUEJDEBOZCIL-UHFFFAOYSA-N 1 2 243.148 3.000 20 0 BGADLO Cc1[nH+]c(C(C)C)ccc1CSC1COC1 ZINC000901633829 584472775 /nfs/dbraw/zinc/47/27/75/584472775.db2.gz LNELINXGRAYKBZ-UHFFFAOYSA-N 1 2 237.368 3.145 20 0 BGADLO COc1cc[nH+]cc1CSCc1ccc(C)o1 ZINC000901673113 584474977 /nfs/dbraw/zinc/47/49/77/584474977.db2.gz SNQWZSIUGXMLPH-UHFFFAOYSA-N 1 2 249.335 3.425 20 0 BGADLO Cc1ccc(CSCCCn2cc[nH+]c2)o1 ZINC000901686414 584481033 /nfs/dbraw/zinc/48/10/33/584481033.db2.gz VAGMTALFQNRWCK-UHFFFAOYSA-N 1 2 236.340 3.108 20 0 BGADLO Cc1cc(CSCCc2cc[nH+]cc2C)no1 ZINC000901711214 584487170 /nfs/dbraw/zinc/48/71/70/584487170.db2.gz IWVRQGOHHSPPFY-UHFFFAOYSA-N 1 2 248.351 3.162 20 0 BGADLO Cn1cc[nH+]c1CSC1CCC(F)(F)CC1 ZINC000901735722 584488734 /nfs/dbraw/zinc/48/87/34/584488734.db2.gz JKFYJLOQKRGUBS-UHFFFAOYSA-N 1 2 246.326 3.231 20 0 BGADLO Cn1c[nH+]cc1CSC1CCC(F)(F)CC1 ZINC000901736121 584488934 /nfs/dbraw/zinc/48/89/34/584488934.db2.gz BUMFWHFMFZIPMM-UHFFFAOYSA-N 1 2 246.326 3.231 20 0 BGADLO FC1(F)CCC(SCCn2cc[nH+]c2)CC1 ZINC000901737631 584489431 /nfs/dbraw/zinc/48/94/31/584489431.db2.gz SAYKFEWUZSGBEC-UHFFFAOYSA-N 1 2 246.326 3.194 20 0 BGADLO Cn1c[nH+]c(CSC2CCC(F)(F)CC2)c1 ZINC000901740678 584489356 /nfs/dbraw/zinc/48/93/56/584489356.db2.gz JAMAGCPEZJUVJR-UHFFFAOYSA-N 1 2 246.326 3.231 20 0 BGADLO Cc1cc(C)c(C(=O)N(C)[C@H](C)C(C)C)c(C)[nH+]1 ZINC000901928673 584507625 /nfs/dbraw/zinc/50/76/25/584507625.db2.gz NZSWZFGILYHGJR-CYBMUJFWSA-N 1 2 248.370 3.123 20 0 BGADLO Cc1cc(C)c(C(=O)N(C)[C@@H](C)C(C)C)c(C)[nH+]1 ZINC000901928674 584507695 /nfs/dbraw/zinc/50/76/95/584507695.db2.gz NZSWZFGILYHGJR-ZDUSSCGKSA-N 1 2 248.370 3.123 20 0 BGADLO C[C@H](c1nc(C2CCCCCC2)no1)[NH+](C)C ZINC000901951949 584508033 /nfs/dbraw/zinc/50/80/33/584508033.db2.gz CNYWOPRRZQFXCG-SNVBAGLBSA-N 1 2 237.347 3.130 20 0 BGADLO CCc1onc(C)c1CNc1ccc(C)[nH+]c1C ZINC000902066894 584522967 /nfs/dbraw/zinc/52/29/67/584522967.db2.gz UMBFHRIKPRJSNJ-UHFFFAOYSA-N 1 2 245.326 3.169 20 0 BGADLO C=COc1ccc([NH2+]C[C@H]2C[C@]23CCOC3)cc1 ZINC000902068377 584519172 /nfs/dbraw/zinc/51/91/72/584519172.db2.gz ASZGJGKUJSMLPH-DOMZBBRYSA-N 1 2 245.322 3.047 20 0 BGADLO C=COc1ccc([NH2+]C[C@H]2C[C@@]23CCOC3)cc1 ZINC000902068378 584518982 /nfs/dbraw/zinc/51/89/82/584518982.db2.gz ASZGJGKUJSMLPH-IUODEOHRSA-N 1 2 245.322 3.047 20 0 BGADLO C=COc1ccc([NH2+]C[C@@H]2C[C@@]23CCOC3)cc1 ZINC000902068379 584519031 /nfs/dbraw/zinc/51/90/31/584519031.db2.gz ASZGJGKUJSMLPH-SWLSCSKDSA-N 1 2 245.322 3.047 20 0 BGADLO C=COc1ccc([NH2+]C[C@@H]2C[C@]23CCOC3)cc1 ZINC000902068380 584518691 /nfs/dbraw/zinc/51/86/91/584518691.db2.gz ASZGJGKUJSMLPH-WFASDCNBSA-N 1 2 245.322 3.047 20 0 BGADLO CCn1c[nH+]c(CNc2cccc(C)c2C)c1 ZINC000902075974 584519998 /nfs/dbraw/zinc/51/99/98/584519998.db2.gz DVXZRFBGEVQKMT-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCc1ccccc1NCc1cn(CC)c[nH+]1 ZINC000902075977 584519995 /nfs/dbraw/zinc/51/99/95/584519995.db2.gz DYFHDNPXGWCFRX-UHFFFAOYSA-N 1 2 229.327 3.078 20 0 BGADLO CCn1c[nH+]c(CNc2ccc(C)cc2C)c1 ZINC000902076634 584519764 /nfs/dbraw/zinc/51/97/64/584519764.db2.gz OPJHSPWLPNTDEG-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1c[nH+]c(CNc2cc(Cl)ccc2C)c1 ZINC000902077571 584520895 /nfs/dbraw/zinc/52/08/95/584520895.db2.gz XEPNVXBXMMPDBG-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1c[nH+]c(CNc2ccc(C)c(Cl)c2)c1 ZINC000902078461 584520359 /nfs/dbraw/zinc/52/03/59/584520359.db2.gz CFDCYSHBZSHZRL-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCCc1ccccc1NCc1cn(CC)c[nH+]1 ZINC000902078790 584520513 /nfs/dbraw/zinc/52/05/13/584520513.db2.gz GCOVYSIXYUDZOQ-UHFFFAOYSA-N 1 2 243.354 3.468 20 0 BGADLO CCc1ccc(NCc2cn(CC)c[nH+]2)cc1 ZINC000902079187 584520495 /nfs/dbraw/zinc/52/04/95/584520495.db2.gz JSBWXJPBPWMCOH-UHFFFAOYSA-N 1 2 229.327 3.078 20 0 BGADLO CCn1c[nH+]c(CNc2cc(C)cc(C)c2)c1 ZINC000902079257 584520720 /nfs/dbraw/zinc/52/07/20/584520720.db2.gz LXQNQQZYKMDWGQ-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1c[nH+]c(CNc2cccc(SC)c2)c1 ZINC000902080236 584520424 /nfs/dbraw/zinc/52/04/24/584520424.db2.gz YATWMFHDGXQHKK-UHFFFAOYSA-N 1 2 247.367 3.237 20 0 BGADLO CCn1c[nH+]c(CNc2ccc(C)c(C)c2)c1 ZINC000902080271 584520304 /nfs/dbraw/zinc/52/03/04/584520304.db2.gz ZKRTUGNDCNKQHZ-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1c[nH+]c(CNc2ccc3c(c2)CCC3)c1 ZINC000902081975 584521326 /nfs/dbraw/zinc/52/13/26/584521326.db2.gz BUFVLIWNOXGZIM-UHFFFAOYSA-N 1 2 241.338 3.004 20 0 BGADLO CCCc1ccc(NCc2cn(CC)c[nH+]2)cc1 ZINC000902082037 584521221 /nfs/dbraw/zinc/52/12/21/584521221.db2.gz FWVGONRTPJWAGB-UHFFFAOYSA-N 1 2 243.354 3.468 20 0 BGADLO CCn1c[nH+]c(CNc2ccc(SC)cc2)c1 ZINC000902082355 584521200 /nfs/dbraw/zinc/52/12/00/584521200.db2.gz HAHXHNIREPLBNM-UHFFFAOYSA-N 1 2 247.367 3.237 20 0 BGADLO CCc1cccc(NCc2cn(CC)c[nH+]2)c1 ZINC000902083420 584521169 /nfs/dbraw/zinc/52/11/69/584521169.db2.gz QJXVLFTYJFLPKD-UHFFFAOYSA-N 1 2 229.327 3.078 20 0 BGADLO Cc1ccc(C)c(CNc2cc[nH+]c(C)n2)c1 ZINC000902124074 584529089 /nfs/dbraw/zinc/52/90/89/584529089.db2.gz ANFMARHLTXXLLW-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1nc(NCc2cccc(C3CC3)c2)cc[nH+]1 ZINC000902124469 584528824 /nfs/dbraw/zinc/52/88/24/584528824.db2.gz FTUVQWUIJXXWHC-UHFFFAOYSA-N 1 2 239.322 3.275 20 0 BGADLO Cc1ccc(CNc2cc[nH+]c(C)n2)cc1C ZINC000902125151 584529092 /nfs/dbraw/zinc/52/90/92/584529092.db2.gz NUPDWDWYEZJLND-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1cccc(CNc2cc[nH+]c(C)n2)c1C ZINC000902125191 584529041 /nfs/dbraw/zinc/52/90/41/584529041.db2.gz OVYOAWNWSNXKCZ-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1nc(NCc2ccccc2C2CC2)cc[nH+]1 ZINC000902125648 584528992 /nfs/dbraw/zinc/52/89/92/584528992.db2.gz UOEGXTZVYFIRBI-UHFFFAOYSA-N 1 2 239.322 3.275 20 0 BGADLO CCc1onc(C)c1CNc1c[nH+]ccc1CC ZINC000902127176 584529225 /nfs/dbraw/zinc/52/92/25/584529225.db2.gz NKIRBKNSAFVHBD-UHFFFAOYSA-N 1 2 245.326 3.115 20 0 BGADLO CCn1c[nH+]c(CNc2cccc(Cl)c2)c1 ZINC000902129596 584529568 /nfs/dbraw/zinc/52/95/68/584529568.db2.gz APQJLXHGUPJQRV-UHFFFAOYSA-N 1 2 235.718 3.169 20 0 BGADLO Cc1cc(NCc2cccc(C3CC3)c2)nc[nH+]1 ZINC000902197164 584536610 /nfs/dbraw/zinc/53/66/10/584536610.db2.gz YKIZBABEELUIBP-UHFFFAOYSA-N 1 2 239.322 3.275 20 0 BGADLO Cc1cc(NCc2ccccc2C2CC2)nc[nH+]1 ZINC000902197220 584536722 /nfs/dbraw/zinc/53/67/22/584536722.db2.gz ZDEJSTDZKBIFOG-UHFFFAOYSA-N 1 2 239.322 3.275 20 0 BGADLO Cc1cc(NCc2ccc(C)c(C)c2)nc[nH+]1 ZINC000902198466 584537376 /nfs/dbraw/zinc/53/73/76/584537376.db2.gz CGPMZXNIDICSQQ-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1cc(NCc2cccc(C)c2C)nc[nH+]1 ZINC000902198511 584537337 /nfs/dbraw/zinc/53/73/37/584537337.db2.gz DQYVQDRGYCMZCE-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO Cc1ccc(C)c(CNc2cc(C)[nH+]cn2)c1 ZINC000902199464 584537323 /nfs/dbraw/zinc/53/73/23/584537323.db2.gz TWXRVHKFXQSNIG-UHFFFAOYSA-N 1 2 227.311 3.014 20 0 BGADLO CCNc1ccccc1CNc1ccc(C)[nH+]c1 ZINC000902335482 584564145 /nfs/dbraw/zinc/56/41/45/584564145.db2.gz BTZGIGMXOPJSAB-UHFFFAOYSA-N 1 2 241.338 3.434 20 0 BGADLO CNc1ccc(C)cc1CNc1ccc(C)[nH+]c1 ZINC000902339538 584557267 /nfs/dbraw/zinc/55/72/67/584557267.db2.gz RQWRWXQOIQIWSJ-UHFFFAOYSA-N 1 2 241.338 3.352 20 0 BGADLO CCn1c[nH+]c(CNc2ccccc2SC)c1 ZINC000902344083 584557810 /nfs/dbraw/zinc/55/78/10/584557810.db2.gz BIRRODNJGIQTGU-UHFFFAOYSA-N 1 2 247.367 3.237 20 0 BGADLO CCn1c[nH+]c(CNc2ccccc2Cl)c1 ZINC000902345384 584558235 /nfs/dbraw/zinc/55/82/35/584558235.db2.gz KDMFACJLWRRECX-UHFFFAOYSA-N 1 2 235.718 3.169 20 0 BGADLO CCn1c[nH+]c(CNc2cc(C)ccc2C)c1 ZINC000902345425 584558356 /nfs/dbraw/zinc/55/83/56/584558356.db2.gz KUICZYHKAZPWTI-UHFFFAOYSA-N 1 2 229.327 3.132 20 0 BGADLO CCn1c[nH+]c(CNc2ccc(Cl)cc2)c1 ZINC000902346308 584558121 /nfs/dbraw/zinc/55/81/21/584558121.db2.gz OXRQJBBBNONMOA-UHFFFAOYSA-N 1 2 235.718 3.169 20 0 BGADLO CCn1c[nH+]c(CNc2cccc(Cl)c2C)c1 ZINC000902346797 584559523 /nfs/dbraw/zinc/55/95/23/584559523.db2.gz QWPPEGSGNCYHBX-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CC(C)Cc1ccccc1COCc1[nH]cc[nH+]1 ZINC000902396893 584585371 /nfs/dbraw/zinc/58/53/71/584585371.db2.gz LFNYQWLFSHELAY-UHFFFAOYSA-N 1 2 244.338 3.325 20 0 BGADLO CNc1ccc(C)cc1CNc1c[nH+]ccc1C ZINC000902396952 584585635 /nfs/dbraw/zinc/58/56/35/584585635.db2.gz KRHZJDZMRKOGCB-UHFFFAOYSA-N 1 2 241.338 3.352 20 0 BGADLO CCSc1ccccc1COCc1[nH]cc[nH+]1 ZINC000902397070 584585273 /nfs/dbraw/zinc/58/52/73/584585273.db2.gz NUYFPJAZYBSWOD-UHFFFAOYSA-N 1 2 248.351 3.239 20 0 BGADLO CNc1ccc(C)cc1CNc1ccc[nH+]c1C ZINC000902400264 584586673 /nfs/dbraw/zinc/58/66/73/584586673.db2.gz ZSOIOYFTFMWQFS-UHFFFAOYSA-N 1 2 241.338 3.352 20 0 BGADLO CNc1ccccc1CNc1ccc(C)[nH+]c1C ZINC000902403223 584587929 /nfs/dbraw/zinc/58/79/29/584587929.db2.gz FFBPBQQUDZSYQT-UHFFFAOYSA-N 1 2 241.338 3.352 20 0 BGADLO CCNc1ccccc1CNc1c[nH+]cc(C)c1 ZINC000902405962 584574292 /nfs/dbraw/zinc/57/42/92/584574292.db2.gz MPTNMUJGQCDCHI-UHFFFAOYSA-N 1 2 241.338 3.434 20 0 BGADLO CNc1ccc(C)cc1CNc1c[nH+]cc(C)c1 ZINC000902408633 584575593 /nfs/dbraw/zinc/57/55/93/584575593.db2.gz ZNVGCYBTUYMVCK-UHFFFAOYSA-N 1 2 241.338 3.352 20 0 BGADLO CCc1ccc(NCc2cn(CC)c[nH+]2)cc1F ZINC000902410694 584576268 /nfs/dbraw/zinc/57/62/68/584576268.db2.gz SGNDVLHUTSHHCZ-UHFFFAOYSA-N 1 2 247.317 3.217 20 0 BGADLO CCn1c[nH+]c(CNc2ccc(Cl)cc2C)c1 ZINC000902430180 584594970 /nfs/dbraw/zinc/59/49/70/584594970.db2.gz HMTAGTXYBKOWNR-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1c[nH+]c(CNc2ccc(C)cc2Cl)c1 ZINC000902441928 584597692 /nfs/dbraw/zinc/59/76/92/584597692.db2.gz FYAQDODRUIYSLQ-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1c[nH+]c(CNc2cccc(C)c2Cl)c1 ZINC000902442068 584597952 /nfs/dbraw/zinc/59/79/52/584597952.db2.gz IENVJIMVPFDTPY-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CCn1c[nH+]c(CNc2cc(C)ccc2Cl)c1 ZINC000902442487 584597645 /nfs/dbraw/zinc/59/76/45/584597645.db2.gz IPYHKYFKRWEORT-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO Nc1ccc(COc2cccc(C3CC3)c2)c[nH+]1 ZINC000902443175 584598439 /nfs/dbraw/zinc/59/84/39/584598439.db2.gz CEJRNAMMXYHGGV-UHFFFAOYSA-N 1 2 240.306 3.120 20 0 BGADLO CCn1c[nH+]c(CNc2ccc(C3CC3)cc2)c1 ZINC000902454305 584608464 /nfs/dbraw/zinc/60/84/64/584608464.db2.gz SOKKAWZPYICRMK-UHFFFAOYSA-N 1 2 241.338 3.393 20 0 BGADLO CCc1ccc(NCc2cn(CC)c[nH+]2)cc1C ZINC000902455246 584609442 /nfs/dbraw/zinc/60/94/42/584609442.db2.gz XIDBGTZMVCVJGL-UHFFFAOYSA-N 1 2 243.354 3.386 20 0 BGADLO CCn1c[nH+]c(CNc2c(C)cc(C)cc2C)c1 ZINC000902460799 584611188 /nfs/dbraw/zinc/61/11/88/584611188.db2.gz INIFZJOADUAKRB-UHFFFAOYSA-N 1 2 243.354 3.440 20 0 BGADLO CCc1cc(NCc2cn(CC)c[nH+]2)ccc1C ZINC000902467210 584614793 /nfs/dbraw/zinc/61/47/93/584614793.db2.gz NBTXWGDWZXRIBR-UHFFFAOYSA-N 1 2 243.354 3.386 20 0 BGADLO CNc1ccc(C)cc1C[NH2+]C(C)(C)C(F)F ZINC000902532572 584633456 /nfs/dbraw/zinc/63/34/56/584633456.db2.gz KGFSCXATGMBBEW-UHFFFAOYSA-N 1 2 242.313 3.170 20 0 BGADLO c1cn(CCSCC[C@@H]2C[C@H]2C2CC2)c[nH+]1 ZINC000902545105 637308461 /nfs/dbraw/zinc/30/84/61/637308461.db2.gz QMIYEAXNLFYOLT-OLZOCXBDSA-N 1 2 236.384 3.053 20 0 BGADLO CCc1cc(NCc2cn(CC)c[nH+]2)ccc1F ZINC000902559338 584634346 /nfs/dbraw/zinc/63/43/46/584634346.db2.gz UOFKVXWOEXLNIT-UHFFFAOYSA-N 1 2 247.317 3.217 20 0 BGADLO CNc1ccccc1C[NH2+][C@@H]1CCCC1(F)F ZINC000902562894 584634735 /nfs/dbraw/zinc/63/47/35/584634735.db2.gz XYCPEBBHRWLEFC-GFCCVEGCSA-N 1 2 240.297 3.006 20 0 BGADLO CNc1ccccc1C[NH2+][C@H]1CCCC1(F)F ZINC000902562895 584634516 /nfs/dbraw/zinc/63/45/16/584634516.db2.gz XYCPEBBHRWLEFC-LBPRGKRZSA-N 1 2 240.297 3.006 20 0 BGADLO CCC[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000902564187 584634860 /nfs/dbraw/zinc/63/48/60/584634860.db2.gz ZWGMGWNQMFZEAJ-GFCCVEGCSA-N 1 2 248.370 3.267 20 0 BGADLO CCC[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000902564188 584634903 /nfs/dbraw/zinc/63/49/03/584634903.db2.gz ZWGMGWNQMFZEAJ-LBPRGKRZSA-N 1 2 248.370 3.267 20 0 BGADLO CC(F)(F)CCCSCCn1cc[nH+]c1 ZINC000902572833 584636594 /nfs/dbraw/zinc/63/65/94/584636594.db2.gz NZTANBHCUQKMGO-UHFFFAOYSA-N 1 2 234.315 3.052 20 0 BGADLO CCn1c[nH+]c(CNc2ccc(Cl)c(C)c2)c1 ZINC000902619277 584644175 /nfs/dbraw/zinc/64/41/75/584644175.db2.gz PZJSZNQADIBCTA-UHFFFAOYSA-N 1 2 249.745 3.477 20 0 BGADLO CC(C)[C@@H](O)CCOc1ccc2c[nH+]ccc2c1 ZINC000902636177 584648301 /nfs/dbraw/zinc/64/83/01/584648301.db2.gz RAUMIVAGFBIRHX-HNNXBMFYSA-N 1 2 245.322 3.021 20 0 BGADLO CC(C)[C@H](O)CCOc1ccc2c[nH+]ccc2c1 ZINC000902636178 584648544 /nfs/dbraw/zinc/64/85/44/584648544.db2.gz RAUMIVAGFBIRHX-OAHLLOKOSA-N 1 2 245.322 3.021 20 0 BGADLO CSCCCOc1ccc2c[nH+]ccc2c1 ZINC000902636292 584648298 /nfs/dbraw/zinc/64/82/98/584648298.db2.gz BFXXJDAFWKPUTQ-UHFFFAOYSA-N 1 2 233.336 3.367 20 0 BGADLO COCCCCOc1ccc2c[nH+]ccc2c1 ZINC000902636320 584648231 /nfs/dbraw/zinc/64/82/31/584648231.db2.gz CDQUFBBDOXFUJR-UHFFFAOYSA-N 1 2 231.295 3.040 20 0 BGADLO CC(C)OCCOc1ccc2c[nH+]ccc2c1 ZINC000902636382 584648306 /nfs/dbraw/zinc/64/83/06/584648306.db2.gz DCAPFPOXVFDLLT-UHFFFAOYSA-N 1 2 231.295 3.039 20 0 BGADLO CC(C)(C)OCCOc1ccc2c[nH+]ccc2c1 ZINC000902637457 584649088 /nfs/dbraw/zinc/64/90/88/584649088.db2.gz HNUHTHPOYQSZGT-UHFFFAOYSA-N 1 2 245.322 3.429 20 0 BGADLO CO[C@H]1C[C@@H](COc2ccc3c[nH+]ccc3c2)C1 ZINC000902637465 584648836 /nfs/dbraw/zinc/64/88/36/584648836.db2.gz HXNNHPROMCEEQP-WGRBQBNCSA-N 1 2 243.306 3.039 20 0 BGADLO COCCCCCOc1ccc2c[nH+]ccc2c1 ZINC000902637515 584649230 /nfs/dbraw/zinc/64/92/30/584649230.db2.gz JLEOKHOIBWKZCP-UHFFFAOYSA-N 1 2 245.322 3.430 20 0 BGADLO OCCCCCCOc1ccc2c[nH+]ccc2c1 ZINC000902637523 584649369 /nfs/dbraw/zinc/64/93/69/584649369.db2.gz JOZUTFFILVSJEI-UHFFFAOYSA-N 1 2 245.322 3.166 20 0 BGADLO CCOCCCOc1ccc2c[nH+]ccc2c1 ZINC000902637530 584649361 /nfs/dbraw/zinc/64/93/61/584649361.db2.gz JTFMJCXLSKWTQH-UHFFFAOYSA-N 1 2 231.295 3.040 20 0 BGADLO c1cc2cc(OCC3CCOCC3)ccc2c[nH+]1 ZINC000902638024 584649293 /nfs/dbraw/zinc/64/92/93/584649293.db2.gz MNDPJOSLESVSCN-UHFFFAOYSA-N 1 2 243.306 3.040 20 0 BGADLO COC1(COc2ccc3c[nH+]ccc3c2)CCC1 ZINC000902638045 584649304 /nfs/dbraw/zinc/64/93/04/584649304.db2.gz NHBJUJLMVABJHC-UHFFFAOYSA-N 1 2 243.306 3.183 20 0 BGADLO c1cc2cc(OC[C@@H]3CCCOC3)ccc2c[nH+]1 ZINC000902638581 584649302 /nfs/dbraw/zinc/64/93/02/584649302.db2.gz OXQYJJAZUTUYSP-GFCCVEGCSA-N 1 2 243.306 3.040 20 0 BGADLO c1cc2cc(OC[C@H]3CCCOC3)ccc2c[nH+]1 ZINC000902638584 584649209 /nfs/dbraw/zinc/64/92/09/584649209.db2.gz OXQYJJAZUTUYSP-LBPRGKRZSA-N 1 2 243.306 3.040 20 0 BGADLO c1cc2cc(OCCOC3CCC3)ccc2c[nH+]1 ZINC000902638617 584648977 /nfs/dbraw/zinc/64/89/77/584648977.db2.gz PHJWJWTXCYTLRL-UHFFFAOYSA-N 1 2 243.306 3.183 20 0 BGADLO c1cc2cc(OCC[C@@H]3CCCO3)ccc2c[nH+]1 ZINC000902638634 584649219 /nfs/dbraw/zinc/64/92/19/584649219.db2.gz PXKARZBZYNJCQD-AWEZNQCLSA-N 1 2 243.306 3.183 20 0 BGADLO c1cc2cc(OCC[C@H]3CCCO3)ccc2c[nH+]1 ZINC000902638635 584649093 /nfs/dbraw/zinc/64/90/93/584649093.db2.gz PXKARZBZYNJCQD-CQSZACIVSA-N 1 2 243.306 3.183 20 0 BGADLO FCCCCOc1ccc2c[nH+]ccc2c1 ZINC000902638968 584649098 /nfs/dbraw/zinc/64/90/98/584649098.db2.gz REAIERCGRYZNBI-UHFFFAOYSA-N 1 2 219.259 3.363 20 0 BGADLO CCSCCOc1ccc2c[nH+]ccc2c1 ZINC000902639143 584649276 /nfs/dbraw/zinc/64/92/76/584649276.db2.gz UFXADQHPQNBFKX-UHFFFAOYSA-N 1 2 233.336 3.367 20 0 BGADLO C[C@H]1OCC[C@@H]1COc1ccc2c[nH+]ccc2c1 ZINC000902639358 584649024 /nfs/dbraw/zinc/64/90/24/584649024.db2.gz UWVVIGLUOULKBP-BXUZGUMPSA-N 1 2 243.306 3.039 20 0 BGADLO C[C@@H]1OCC[C@H]1COc1ccc2c[nH+]ccc2c1 ZINC000902639359 584649223 /nfs/dbraw/zinc/64/92/23/584649223.db2.gz UWVVIGLUOULKBP-FZMZJTMJSA-N 1 2 243.306 3.039 20 0 BGADLO C[C@H]1OCC[C@H]1COc1ccc2c[nH+]ccc2c1 ZINC000902639360 584649332 /nfs/dbraw/zinc/64/93/32/584649332.db2.gz UWVVIGLUOULKBP-RISCZKNCSA-N 1 2 243.306 3.039 20 0 BGADLO C[C@@H]1OCC[C@@H]1COc1ccc2c[nH+]ccc2c1 ZINC000902639361 584649291 /nfs/dbraw/zinc/64/92/91/584649291.db2.gz UWVVIGLUOULKBP-SMDDNHRTSA-N 1 2 243.306 3.039 20 0 BGADLO COC(C)(C)CCOc1ccc2c[nH+]ccc2c1 ZINC000902639391 584649012 /nfs/dbraw/zinc/64/90/12/584649012.db2.gz WKQUTLYLKDJXLA-UHFFFAOYSA-N 1 2 245.322 3.429 20 0 BGADLO CC[C@H](COc1ccc2c[nH+]ccc2c1)OC ZINC000902639436 584648888 /nfs/dbraw/zinc/64/88/88/584648888.db2.gz XMYZHYQKDHLFBQ-CYBMUJFWSA-N 1 2 231.295 3.039 20 0 BGADLO CC[C@@H](COc1ccc2c[nH+]ccc2c1)OC ZINC000902639437 584649336 /nfs/dbraw/zinc/64/93/36/584649336.db2.gz XMYZHYQKDHLFBQ-ZDUSSCGKSA-N 1 2 231.295 3.039 20 0 BGADLO CNc1ccccc1CNc1c[nH+]c(C)c(C)c1 ZINC000902645383 637317428 /nfs/dbraw/zinc/31/74/28/637317428.db2.gz VOTZJMRHIVBNHH-UHFFFAOYSA-N 1 2 241.338 3.352 20 0 BGADLO CCn1c[nH+]c(CNc2ccc(C(C)C)nc2)c1 ZINC000902654175 584651390 /nfs/dbraw/zinc/65/13/90/584651390.db2.gz DSRWVYIGPMPGAJ-UHFFFAOYSA-N 1 2 244.342 3.034 20 0 BGADLO CCn1c[nH+]c(CNc2cncc(C(C)C)c2)c1 ZINC000902680059 584652884 /nfs/dbraw/zinc/65/28/84/584652884.db2.gz HUJGVGWYNRKOLX-UHFFFAOYSA-N 1 2 244.342 3.034 20 0 BGADLO Cc1ccc2[nH+]c(C)cc(OCC[C@@H](C)O)c2c1 ZINC000902692819 584657007 /nfs/dbraw/zinc/65/70/07/584657007.db2.gz CDZPKGKQILPXKT-GFCCVEGCSA-N 1 2 245.322 3.001 20 0 BGADLO Cc1ccc2[nH+]c(C)cc(OCC[C@H](C)O)c2c1 ZINC000902692820 584656919 /nfs/dbraw/zinc/65/69/19/584656919.db2.gz CDZPKGKQILPXKT-LBPRGKRZSA-N 1 2 245.322 3.001 20 0 BGADLO c1c[nH+]c(C2CC2)c(NC[C@@H]2CCSC2)c1 ZINC000902695764 584656757 /nfs/dbraw/zinc/65/67/57/584656757.db2.gz YSSIIQAHSXEAMA-JTQLQIEISA-N 1 2 234.368 3.124 20 0 BGADLO c1c[nH+]c(C2CC2)c(NC[C@H]2CCSC2)c1 ZINC000902695765 584656782 /nfs/dbraw/zinc/65/67/82/584656782.db2.gz YSSIIQAHSXEAMA-SNVBAGLBSA-N 1 2 234.368 3.124 20 0 BGADLO Cc1cc(C)[nH+]c(Cn2ccc(C(C)(C)C)n2)c1 ZINC000902748051 584664322 /nfs/dbraw/zinc/66/43/22/584664322.db2.gz DLYYFQOBCNGNRK-UHFFFAOYSA-N 1 2 243.354 3.241 20 0 BGADLO Cc1cc(C)[nH+]c(Cn2cc(C(C)C)cn2)c1 ZINC000902756017 584665046 /nfs/dbraw/zinc/66/50/46/584665046.db2.gz ZFNMTTFHOJUAHQ-UHFFFAOYSA-N 1 2 229.327 3.067 20 0 BGADLO Cc1cc(C)[nH+]c(Cn2cc(C3CCC3)cn2)c1 ZINC000902762615 584663213 /nfs/dbraw/zinc/66/32/13/584663213.db2.gz FYZWYHRYOPUJEQ-UHFFFAOYSA-N 1 2 241.338 3.211 20 0 BGADLO COC/C(C)=C\COc1ccc2c[nH+]ccc2c1 ZINC000902778010 584669337 /nfs/dbraw/zinc/66/93/37/584669337.db2.gz XOIYXFFMYKTAHP-SDQBBNPISA-N 1 2 243.306 3.206 20 0 BGADLO COC/C(C)=C/COc1ccc2c[nH+]ccc2c1 ZINC000902778011 584669191 /nfs/dbraw/zinc/66/91/91/584669191.db2.gz XOIYXFFMYKTAHP-WUXMJOGZSA-N 1 2 243.306 3.206 20 0 BGADLO Cn1c[nH+]c2cc(OCCCCCF)ccc21 ZINC000902781139 584670188 /nfs/dbraw/zinc/67/01/88/584670188.db2.gz GSYWDZKKSXYPKZ-UHFFFAOYSA-N 1 2 236.290 3.092 20 0 BGADLO C[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)C(F)(F)F ZINC000902993196 584711534 /nfs/dbraw/zinc/71/15/34/584711534.db2.gz HMVYEIWLQIUWGP-CIUDSAMLSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H]2C1)C(F)(F)F ZINC000902993197 584711892 /nfs/dbraw/zinc/71/18/92/584711892.db2.gz HMVYEIWLQIUWGP-DJLDLDEBSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C(F)(F)F ZINC000902993198 584711759 /nfs/dbraw/zinc/71/17/59/584711759.db2.gz HMVYEIWLQIUWGP-DOLQZWNJSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C(F)(F)F ZINC000902993199 584711776 /nfs/dbraw/zinc/71/17/76/584711776.db2.gz HMVYEIWLQIUWGP-QEYWKRMJSA-N 1 2 221.266 3.106 20 0 BGADLO FC(F)(F)[C@H]([NH2+]C1C[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000902994630 584712333 /nfs/dbraw/zinc/71/23/33/584712333.db2.gz QKCYINMDFFODBB-CKYFFXLPSA-N 1 2 247.304 3.496 20 0 BGADLO FC(F)(F)[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)C1CC1 ZINC000902994631 584712383 /nfs/dbraw/zinc/71/23/83/584712383.db2.gz QKCYINMDFFODBB-JBLDHEPKSA-N 1 2 247.304 3.496 20 0 BGADLO FC(F)(F)[C@@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C1CC1 ZINC000902994632 584712593 /nfs/dbraw/zinc/71/25/93/584712593.db2.gz QKCYINMDFFODBB-USZNOCQGSA-N 1 2 247.304 3.496 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C1CC1 ZINC000902994633 584712368 /nfs/dbraw/zinc/71/23/68/584712368.db2.gz QKCYINMDFFODBB-WRWGMCAJSA-N 1 2 247.304 3.496 20 0 BGADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](F)C1 ZINC000902995088 584708253 /nfs/dbraw/zinc/70/82/53/584708253.db2.gz KULGCICUELKIRH-GHMZBOCLSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902995088 584708251 /nfs/dbraw/zinc/70/82/51/584708251.db2.gz KULGCICUELKIRH-GHMZBOCLSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](F)C1 ZINC000902995089 584708524 /nfs/dbraw/zinc/70/85/24/584708524.db2.gz KULGCICUELKIRH-MNOVXSKESA-N 1 2 248.301 3.323 20 0 BGADLO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](F)C1 ZINC000902995089 584708523 /nfs/dbraw/zinc/70/85/23/584708523.db2.gz KULGCICUELKIRH-MNOVXSKESA-N 1 2 248.301 3.323 20 0 BGADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@H](F)C1 ZINC000902995090 584708540 /nfs/dbraw/zinc/70/85/40/584708540.db2.gz KULGCICUELKIRH-QWRGUYRKSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@H](F)C1 ZINC000902995090 584708538 /nfs/dbraw/zinc/70/85/38/584708538.db2.gz KULGCICUELKIRH-QWRGUYRKSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@@H](c1nc2ccccc2o1)[N@H+]1CCC[C@@H](F)C1 ZINC000902995091 584708493 /nfs/dbraw/zinc/70/84/93/584708493.db2.gz KULGCICUELKIRH-WDEREUQCSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCC[C@@H](F)C1 ZINC000902995091 584708491 /nfs/dbraw/zinc/70/84/91/584708491.db2.gz KULGCICUELKIRH-WDEREUQCSA-N 1 2 248.301 3.323 20 0 BGADLO C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H]2C1)C(F)(F)F ZINC000903025709 584721202 /nfs/dbraw/zinc/72/12/02/584721202.db2.gz HMVYEIWLQIUWGP-IWSPIJDZSA-N 1 2 221.266 3.106 20 0 BGADLO C[C@@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)C(F)(F)F ZINC000903025710 584721337 /nfs/dbraw/zinc/72/13/37/584721337.db2.gz HMVYEIWLQIUWGP-VGMNWLOBSA-N 1 2 221.266 3.106 20 0 BGADLO COCc1cc[nH+]c(N[C@@H]2C[C@H]3CCC[C@H]3C2)c1 ZINC000903042940 584720618 /nfs/dbraw/zinc/72/06/18/584720618.db2.gz LTHWWEBRXMLOOQ-BTTYYORXSA-N 1 2 246.354 3.219 20 0 BGADLO COCc1cc[nH+]c(NC2C[C@H]3CCC[C@@H]3C2)c1 ZINC000903042941 584720882 /nfs/dbraw/zinc/72/08/82/584720882.db2.gz LTHWWEBRXMLOOQ-CHWSQXEVSA-N 1 2 246.354 3.219 20 0 BGADLO COCc1cc[nH+]c(NC2C[C@@H]3CCC[C@H]3C2)c1 ZINC000903042942 584720800 /nfs/dbraw/zinc/72/08/00/584720800.db2.gz LTHWWEBRXMLOOQ-STQMWFEESA-N 1 2 246.354 3.219 20 0 BGADLO CO[C@@H]1CCC[C@@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000903145208 637346748 /nfs/dbraw/zinc/34/67/48/637346748.db2.gz XMEQOENFFBQTPP-DZGCQCFKSA-N 1 2 248.370 3.040 20 0 BGADLO CO[C@H]1CCC[C@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000903145210 637345826 /nfs/dbraw/zinc/34/58/26/637345826.db2.gz XMEQOENFFBQTPP-HIFRSBDPSA-N 1 2 248.370 3.040 20 0 BGADLO CO[C@@H]1CCC[C@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000903145212 637347041 /nfs/dbraw/zinc/34/70/41/637347041.db2.gz XMEQOENFFBQTPP-UKRRQHHQSA-N 1 2 248.370 3.040 20 0 BGADLO CO[C@H]1CCC[C@@H]1Nc1ccc([NH+](C)C)c(C)c1 ZINC000903145216 637346577 /nfs/dbraw/zinc/34/65/77/637346577.db2.gz XMEQOENFFBQTPP-ZFWWWQNUSA-N 1 2 248.370 3.040 20 0 BGADLO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(F)(F)F ZINC000903157297 584731129 /nfs/dbraw/zinc/73/11/29/584731129.db2.gz CQYGPXQGXIYWPK-RCWTZXSCSA-N 1 2 235.293 3.352 20 0 BGADLO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(F)(F)F ZINC000903157298 584731233 /nfs/dbraw/zinc/73/12/33/584731233.db2.gz CQYGPXQGXIYWPK-YTWAJWBKSA-N 1 2 235.293 3.352 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000903172160 584732716 /nfs/dbraw/zinc/73/27/16/584732716.db2.gz MMJFCUKDRMHKGY-LMLFDSFASA-N 1 2 233.277 3.106 20 0 BGADLO FC(F)(F)[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000903172161 584732651 /nfs/dbraw/zinc/73/26/51/584732651.db2.gz MMJFCUKDRMHKGY-RCWTZXSCSA-N 1 2 233.277 3.106 20 0 BGADLO FC(F)(F)[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000903172162 584732666 /nfs/dbraw/zinc/73/26/66/584732666.db2.gz MMJFCUKDRMHKGY-VPOLOUISSA-N 1 2 233.277 3.106 20 0 BGADLO FC(F)(F)[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC000903172163 584732840 /nfs/dbraw/zinc/73/28/40/584732840.db2.gz MMJFCUKDRMHKGY-YTWAJWBKSA-N 1 2 233.277 3.106 20 0 BGADLO Cc1cc(N[C@H]2CCOC23CCCC3)c[nH+]c1C ZINC000903222292 584737813 /nfs/dbraw/zinc/73/78/13/584737813.db2.gz ZXJSUUFNLKXGBV-AWEZNQCLSA-N 1 2 246.354 3.212 20 0 BGADLO Cc1cc(N[C@@H]2CCOC23CCCC3)c[nH+]c1C ZINC000903222293 584737865 /nfs/dbraw/zinc/73/78/65/584737865.db2.gz ZXJSUUFNLKXGBV-CQSZACIVSA-N 1 2 246.354 3.212 20 0 BGADLO CC(C)c1ccc(N[C@@H](C)c2[nH]cc[nH+]2)cn1 ZINC000903338960 584751837 /nfs/dbraw/zinc/75/18/37/584751837.db2.gz HTVXPRAHRBCYRM-JTQLQIEISA-N 1 2 230.315 3.101 20 0 BGADLO CC(C)c1ccc(N[C@H](C)c2[nH]cc[nH+]2)cn1 ZINC000903338961 584751819 /nfs/dbraw/zinc/75/18/19/584751819.db2.gz HTVXPRAHRBCYRM-SNVBAGLBSA-N 1 2 230.315 3.101 20 0 BGADLO CC(C)c1ccc(N[C@H](C)c2[nH+]ccn2C)cn1 ZINC000903340537 584752339 /nfs/dbraw/zinc/75/23/39/584752339.db2.gz UVXPULDPQRSQSX-LLVKDONJSA-N 1 2 244.342 3.112 20 0 BGADLO CC(C)c1ccc(N[C@@H](C)c2[nH+]ccn2C)cn1 ZINC000903340538 584752317 /nfs/dbraw/zinc/75/23/17/584752317.db2.gz UVXPULDPQRSQSX-NSHDSACASA-N 1 2 244.342 3.112 20 0 BGADLO C[NH+](C)C1(c2nc(C3CCCCCC3)no2)CC1 ZINC000903355661 584755686 /nfs/dbraw/zinc/75/56/86/584755686.db2.gz YRMRHMBMLVDEPJ-UHFFFAOYSA-N 1 2 249.358 3.058 20 0 BGADLO CNc1ccccc1C[NH2+][C@@H](C)c1cscn1 ZINC000904437322 637404438 /nfs/dbraw/zinc/40/44/38/637404438.db2.gz QTLPCJSIOWGNDO-JTQLQIEISA-N 1 2 247.367 3.036 20 0 BGADLO CNc1ccccc1C[NH2+][C@H](C)c1cscn1 ZINC000904437327 637404939 /nfs/dbraw/zinc/40/49/39/637404939.db2.gz QTLPCJSIOWGNDO-SNVBAGLBSA-N 1 2 247.367 3.036 20 0 BGADLO CCC(F)(F)C[NH2+]Cc1cc(C)ccc1NC ZINC000904444682 637414906 /nfs/dbraw/zinc/41/49/06/637414906.db2.gz MSRXSFBYGLLOHG-UHFFFAOYSA-N 1 2 242.313 3.172 20 0 BGADLO Cc1cc2[nH+]ccn2c(-c2cnc(C3CC3)o2)c1 ZINC000904818241 637483816 /nfs/dbraw/zinc/48/38/16/637483816.db2.gz GTFDCSBUAKVFHS-UHFFFAOYSA-N 1 2 239.278 3.175 20 0 BGADLO Fc1ccc(F)c(-c2c[nH+]c3n2CCCC3)c1 ZINC000904840990 637498939 /nfs/dbraw/zinc/49/89/39/637498939.db2.gz OCBSCUFRJHQZNY-UHFFFAOYSA-N 1 2 234.249 3.165 20 0 BGADLO Cc1cc(C)c(N)c(-c2cc[nH+]c(N(C)C)c2)c1 ZINC000904848332 637504886 /nfs/dbraw/zinc/50/48/86/637504886.db2.gz BKDPSETYIODKAM-UHFFFAOYSA-N 1 2 241.338 3.014 20 0 BGADLO COc1ccc(-c2cc[nH+]c(N(C)C)c2)c(C)c1 ZINC000904848890 637505851 /nfs/dbraw/zinc/50/58/51/637505851.db2.gz JCGOKHBIUVRQOZ-UHFFFAOYSA-N 1 2 242.322 3.132 20 0 BGADLO Cc1cc(-c2cc[nH+]c(N(C)C)c2)cc(C)c1N ZINC000904850261 637506440 /nfs/dbraw/zinc/50/64/40/637506440.db2.gz UGBZMAKRDUFNGN-UHFFFAOYSA-N 1 2 241.338 3.014 20 0 BGADLO CN(C)c1cc(-c2ccncc2C2CC2)cc[nH+]1 ZINC000904852062 637509122 /nfs/dbraw/zinc/50/91/22/637509122.db2.gz VXLVYHRPVHNIDZ-UHFFFAOYSA-N 1 2 239.322 3.087 20 0 BGADLO COc1cc(C)c(-c2c[nH+]c(N)c(C)c2)c(C)c1 ZINC000904876435 637517815 /nfs/dbraw/zinc/51/78/15/637517815.db2.gz VZTNNNJSENDYLU-UHFFFAOYSA-N 1 2 242.322 3.265 20 0 BGADLO COc1cccc(-c2c[nH+]c3n2CCCC3)c1F ZINC000904889314 637511435 /nfs/dbraw/zinc/51/14/35/637511435.db2.gz KHZBGLMVGUTHRH-UHFFFAOYSA-N 1 2 246.285 3.034 20 0 BGADLO COc1cccc(-c2c[nH+]c(C(C)C)n2C)c1F ZINC000904890023 637511708 /nfs/dbraw/zinc/51/17/08/637511708.db2.gz UJQODVAFPPUOSV-UHFFFAOYSA-N 1 2 248.301 3.358 20 0 BGADLO CC(C)c1[nH+]cc(-c2cccc3c2CCO3)n1C ZINC000904899878 637527651 /nfs/dbraw/zinc/52/76/51/637527651.db2.gz BSNNLDZYXLNUCQ-UHFFFAOYSA-N 1 2 242.322 3.145 20 0 BGADLO CC(C)c1[nH+]cc(-c2ccc3c(c2)OCC3)n1C ZINC000904900178 637526330 /nfs/dbraw/zinc/52/63/30/637526330.db2.gz ZKLOBLXHRSWMIR-UHFFFAOYSA-N 1 2 242.322 3.145 20 0 BGADLO COc1ccc(-c2c[nH+]c3n2CCCC3)c(F)c1 ZINC000904906810 637521960 /nfs/dbraw/zinc/52/19/60/637521960.db2.gz BTQHJKTXGMJICS-UHFFFAOYSA-N 1 2 246.285 3.034 20 0 BGADLO Cc1cc(C)c(C(=O)N2CCCCCC2)c(C)[nH+]1 ZINC000905016305 637546560 /nfs/dbraw/zinc/54/65/60/637546560.db2.gz CIZRFYBITCPFMY-UHFFFAOYSA-N 1 2 246.354 3.023 20 0 BGADLO Cc1cc(C)c(C(=O)NC2CCCCC2)c(C)[nH+]1 ZINC000905023613 637571803 /nfs/dbraw/zinc/57/18/03/637571803.db2.gz MHBBBMULESROHZ-UHFFFAOYSA-N 1 2 246.354 3.069 20 0 BGADLO CCCN(CCC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000905044375 637562518 /nfs/dbraw/zinc/56/25/18/637562518.db2.gz SXBIEIKAUQHLIH-UHFFFAOYSA-N 1 2 248.370 3.269 20 0 BGADLO CC(C)n1c[nH+]cc1/C=C\c1nccs1 ZINC000905071717 637604141 /nfs/dbraw/zinc/60/41/41/637604141.db2.gz HYXADPFXOXVRQE-ARJAWSKDSA-N 1 2 219.313 3.091 20 0 BGADLO CC(C)n1c[nH+]cc1/C=C/c1nccs1 ZINC000905071718 637603754 /nfs/dbraw/zinc/60/37/54/637603754.db2.gz HYXADPFXOXVRQE-ONEGZZNKSA-N 1 2 219.313 3.091 20 0 BGADLO Cc1cc(C)c(C(=O)N2CCCC[C@H]2C)c(C)[nH+]1 ZINC000905088968 637587774 /nfs/dbraw/zinc/58/77/74/637587774.db2.gz ASAXIMGRUUZCMA-GFCCVEGCSA-N 1 2 246.354 3.021 20 0 BGADLO Cc1cc(C)c(C(=O)N2CCCC[C@@H]2C)c(C)[nH+]1 ZINC000905088969 637589563 /nfs/dbraw/zinc/58/95/63/637589563.db2.gz ASAXIMGRUUZCMA-LBPRGKRZSA-N 1 2 246.354 3.021 20 0 BGADLO CCCCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000905091187 637587448 /nfs/dbraw/zinc/58/74/48/637587448.db2.gz DZXRXQBEEPXPIV-UHFFFAOYSA-N 1 2 248.370 3.269 20 0 BGADLO Cc1cc(C(F)(F)F)ccc1-c1c[nH+]cn1C ZINC000905306091 637764619 /nfs/dbraw/zinc/76/46/19/637764619.db2.gz SZOWBBQYUKOQED-UHFFFAOYSA-N 1 2 240.228 3.414 20 0 BGADLO CCn1c[nH+]cc1CNc1ccc(C(C)C)nc1 ZINC000905430799 637812880 /nfs/dbraw/zinc/81/28/80/637812880.db2.gz FFUJQDHGBJEKEK-UHFFFAOYSA-N 1 2 244.342 3.034 20 0 BGADLO Cc1cc(C)c(C(=O)N(C)C2CCCC2)c(C)[nH+]1 ZINC000905757642 637915177 /nfs/dbraw/zinc/91/51/77/637915177.db2.gz VMINBEMHBBMJRZ-UHFFFAOYSA-N 1 2 246.354 3.021 20 0 BGADLO Cc1cc(C)c(C(=O)N[C@H](C)C(C)(C)C)c(C)[nH+]1 ZINC000905995371 638016781 /nfs/dbraw/zinc/01/67/81/638016781.db2.gz BLMTXPQNTJZMLK-GFCCVEGCSA-N 1 2 248.370 3.171 20 0 BGADLO Cc1cc(C)c(C(=O)NCCCC(C)C)c(C)[nH+]1 ZINC000906018697 638024549 /nfs/dbraw/zinc/02/45/49/638024549.db2.gz IOVOOUOVHFVWFJ-UHFFFAOYSA-N 1 2 248.370 3.173 20 0 BGADLO Cc1cc(C)c(C(=O)N(C)CCC(C)C)c(C)[nH+]1 ZINC000906038520 638031138 /nfs/dbraw/zinc/03/11/38/638031138.db2.gz JMQXCWJWACJRJD-UHFFFAOYSA-N 1 2 248.370 3.125 20 0 BGADLO CCN(CC(C)C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906039224 638029462 /nfs/dbraw/zinc/02/94/62/638029462.db2.gz WCMGQTNSFFWEKD-UHFFFAOYSA-N 1 2 248.370 3.125 20 0 BGADLO Cc1cc(C)c(C(=O)NCCC(C)(C)C)c(C)[nH+]1 ZINC000906100607 638056741 /nfs/dbraw/zinc/05/67/41/638056741.db2.gz ZXAYWNJHOCRZRI-UHFFFAOYSA-N 1 2 248.370 3.173 20 0 BGADLO Cc1cn2cc(-c3c(C)noc3C)cc(C)c2[nH+]1 ZINC000906163758 638103760 /nfs/dbraw/zinc/10/37/60/638103760.db2.gz GMQQFTZGGZTTPG-UHFFFAOYSA-N 1 2 241.294 3.223 20 0 BGADLO COc1ccc(/C=C\c2cn3c([nH+]2)CCC3)cc1 ZINC000906168539 638082529 /nfs/dbraw/zinc/08/25/29/638082529.db2.gz KVMXHTKSSAUICK-DAXSKMNVSA-N 1 2 240.306 3.008 20 0 BGADLO COc1ccc(/C=C/c2cn3c([nH+]2)CCC3)cc1 ZINC000906168540 638082840 /nfs/dbraw/zinc/08/28/40/638082840.db2.gz KVMXHTKSSAUICK-QPJJXVBHSA-N 1 2 240.306 3.008 20 0 BGADLO CC(C)c1[nH+]cc(-c2cnn(C(C)(C)C)c2)n1C ZINC000906186759 638096147 /nfs/dbraw/zinc/09/61/47/638096147.db2.gz HVJLBCLZXRYUNM-UHFFFAOYSA-N 1 2 246.358 3.162 20 0 BGADLO Fc1cccc(-c2c[nH+]c3n2CCCC3)c1F ZINC000906191901 638098560 /nfs/dbraw/zinc/09/85/60/638098560.db2.gz AXISDGJWHHHBKC-UHFFFAOYSA-N 1 2 234.249 3.165 20 0 BGADLO COc1ccc(CSC)cc1-c1c[nH]c(C)[nH+]1 ZINC000906194626 638111856 /nfs/dbraw/zinc/11/18/56/638111856.db2.gz RFHQDNAZLKKJEX-UHFFFAOYSA-N 1 2 248.351 3.257 20 0 BGADLO Cc1[nH+]cc(-c2cscc2C(F)F)n1C ZINC000906195904 638114586 /nfs/dbraw/zinc/11/45/86/638114586.db2.gz RQZQFFKSGDAXTN-UHFFFAOYSA-N 1 2 228.267 3.395 20 0 BGADLO FC(F)c1ccc(-c2c[nH+]c3n2CCCC3)cn1 ZINC000906196995 638114022 /nfs/dbraw/zinc/11/40/22/638114022.db2.gz DPSZPYVCBXMJKH-UHFFFAOYSA-N 1 2 249.264 3.219 20 0 BGADLO CC(C)c1[nH+]cc(-c2c[nH]c3ncccc23)n1C ZINC000906207470 638105685 /nfs/dbraw/zinc/10/56/85/638105685.db2.gz UXUJHODXCCNGPE-UHFFFAOYSA-N 1 2 240.310 3.087 20 0 BGADLO CC[C@@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906401896 638156560 /nfs/dbraw/zinc/15/65/60/638156560.db2.gz GDXIVXJSMYYLHD-BXKDBHETSA-N 1 2 248.370 3.171 20 0 BGADLO CC[C@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906401897 638156278 /nfs/dbraw/zinc/15/62/78/638156278.db2.gz GDXIVXJSMYYLHD-CABZTGNLSA-N 1 2 248.370 3.171 20 0 BGADLO CC[C@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906401898 638156492 /nfs/dbraw/zinc/15/64/92/638156492.db2.gz GDXIVXJSMYYLHD-JOYOIKCWSA-N 1 2 248.370 3.171 20 0 BGADLO CC[C@@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906401899 638155791 /nfs/dbraw/zinc/15/57/91/638155791.db2.gz GDXIVXJSMYYLHD-SKDRFNHKSA-N 1 2 248.370 3.171 20 0 BGADLO CCC[C@@H](CC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906441273 638161050 /nfs/dbraw/zinc/16/10/50/638161050.db2.gz QIIKNXYFMBFNIA-CYBMUJFWSA-N 1 2 248.370 3.315 20 0 BGADLO CCC[C@H](CC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906441274 638161016 /nfs/dbraw/zinc/16/10/16/638161016.db2.gz QIIKNXYFMBFNIA-ZDUSSCGKSA-N 1 2 248.370 3.315 20 0 BGADLO Cc1cc(C)c(C(=O)N(C)CC(C)(C)C)c(C)[nH+]1 ZINC000906513625 638185271 /nfs/dbraw/zinc/18/52/71/638185271.db2.gz AWLDDYQPOQWYHO-UHFFFAOYSA-N 1 2 248.370 3.125 20 0 BGADLO CCCC[NH2+]c1ccc(N2CCOC[C@H]2C)cc1 ZINC000906527254 638191243 /nfs/dbraw/zinc/19/12/43/638191243.db2.gz OKGFQPKCKQJENJ-CYBMUJFWSA-N 1 2 248.370 3.124 20 0 BGADLO CCCC[NH2+]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC000906527255 638192034 /nfs/dbraw/zinc/19/20/34/638192034.db2.gz OKGFQPKCKQJENJ-ZDUSSCGKSA-N 1 2 248.370 3.124 20 0 BGADLO CCCC[NH2+]c1ccc(N2CCOCC2)c(C)c1 ZINC000906527402 638191799 /nfs/dbraw/zinc/19/17/99/638191799.db2.gz HMQFRORMUABAGS-UHFFFAOYSA-N 1 2 248.370 3.044 20 0 BGADLO CCCC[NH2+]c1ccc(N2CCO[C@H](C)C2)cc1 ZINC000906528154 638193114 /nfs/dbraw/zinc/19/31/14/638193114.db2.gz WUWUABRAVNYMFQ-CYBMUJFWSA-N 1 2 248.370 3.124 20 0 BGADLO CCCC[NH2+]c1ccc(N2CCO[C@@H](C)C2)cc1 ZINC000906528155 638193467 /nfs/dbraw/zinc/19/34/67/638193467.db2.gz WUWUABRAVNYMFQ-ZDUSSCGKSA-N 1 2 248.370 3.124 20 0 BGADLO CCC(CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000906579607 638217140 /nfs/dbraw/zinc/21/71/40/638217140.db2.gz VWNLGSGYMOEKFM-UHFFFAOYSA-N 1 2 248.370 3.173 20 0 BGADLO CC[C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906643733 638227578 /nfs/dbraw/zinc/22/75/78/638227578.db2.gz WVOYNNMLLHWDOU-JTQLQIEISA-N 1 2 248.370 3.125 20 0 BGADLO CC[C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC000906643735 638228198 /nfs/dbraw/zinc/22/81/98/638228198.db2.gz WVOYNNMLLHWDOU-SNVBAGLBSA-N 1 2 248.370 3.125 20 0 BGADLO Cc1cc(C)c(C(=O)N[C@H](C)CC(C)C)c(C)[nH+]1 ZINC000907109372 711815029 /nfs/dbraw/zinc/81/50/29/711815029.db2.gz FVRGWOHFGREPGI-LLVKDONJSA-N 1 2 248.370 3.171 20 0 BGADLO Cc1cc(C)c(C(=O)N[C@@H](C)CC(C)C)c(C)[nH+]1 ZINC000907109373 711815010 /nfs/dbraw/zinc/81/50/10/711815010.db2.gz FVRGWOHFGREPGI-NSHDSACASA-N 1 2 248.370 3.171 20 0 BGADLO CC(C)=CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907687445 638446849 /nfs/dbraw/zinc/44/68/49/638446849.db2.gz FSAFJOCYMXXXHL-UHFFFAOYSA-N 1 2 246.354 3.093 20 0 BGADLO CCC(C)(C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000907736187 638459874 /nfs/dbraw/zinc/45/98/74/638459874.db2.gz CKDRPNYTJYBTEQ-UHFFFAOYSA-N 1 2 248.370 3.173 20 0 BGADLO Cc1cc(C)c(-c2c[nH+]cn2C)c(C)c1 ZINC000911595992 639671736 /nfs/dbraw/zinc/67/17/36/639671736.db2.gz LTIQAWSXSNQJSA-UHFFFAOYSA-N 1 2 200.285 3.012 20 0 BGADLO CC[C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000912383429 640036920 /nfs/dbraw/zinc/03/69/20/640036920.db2.gz MGNSOIXHJCTALK-JTQLQIEISA-N 1 2 248.370 3.173 20 0 BGADLO CC[C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC000912383434 640036117 /nfs/dbraw/zinc/03/61/17/640036117.db2.gz MGNSOIXHJCTALK-SNVBAGLBSA-N 1 2 248.370 3.173 20 0 BGADLO C[C@@H]1CN(c2cccc[nH+]2)Cc2ccccc21 ZINC000912728468 640182339 /nfs/dbraw/zinc/18/23/39/640182339.db2.gz OGFQAOCLGDQSSU-GFCCVEGCSA-N 1 2 224.307 3.205 20 0 BGADLO C[C@H]1CN(c2cccc[nH+]2)Cc2ccccc21 ZINC000912728469 640181507 /nfs/dbraw/zinc/18/15/07/640181507.db2.gz OGFQAOCLGDQSSU-LBPRGKRZSA-N 1 2 224.307 3.205 20 0 BGADLO CSCc1c[nH+]c(N(C)C)c2ccccc12 ZINC000916727534 641972350 /nfs/dbraw/zinc/97/23/50/641972350.db2.gz YYBRWZMQLPAFAE-UHFFFAOYSA-N 1 2 232.352 3.164 20 0 BGADLO CCCC[NH2+]c1ccc(N2CCOCC2)cc1C ZINC000916839375 641981207 /nfs/dbraw/zinc/98/12/07/641981207.db2.gz KLDFXFFYPVDHHE-UHFFFAOYSA-N 1 2 248.370 3.044 20 0 BGADLO CCCCNc1ccc(N2CCCCC2)c[nH+]1 ZINC000916845504 641980746 /nfs/dbraw/zinc/98/07/46/641980746.db2.gz BIYTXVQEBIXOBY-UHFFFAOYSA-N 1 2 233.359 3.284 20 0 BGADLO CC(C)Cc1ccccc1Cn1cc[nH+]c1 ZINC000917358903 642041815 /nfs/dbraw/zinc/04/18/15/642041815.db2.gz FFMVFJAOYFSFCM-UHFFFAOYSA-N 1 2 214.312 3.130 20 0 BGADLO CC(C)(C)Oc1cccc(Cn2cc[nH+]c2)c1 ZINC000917359133 642044321 /nfs/dbraw/zinc/04/43/21/642044321.db2.gz KGDNMWRAGCLMMC-UHFFFAOYSA-N 1 2 230.311 3.109 20 0 BGADLO CCSc1ccccc1Cn1cc[nH+]c1 ZINC000917359780 642049496 /nfs/dbraw/zinc/04/94/96/642049496.db2.gz UUBBSJVTFUCTOA-UHFFFAOYSA-N 1 2 218.325 3.043 20 0 BGADLO CC[N@@H+](C[C@@H]1CCOC1)c1ccc(C)cc1C ZINC000917408254 642060129 /nfs/dbraw/zinc/06/01/29/642060129.db2.gz IBQUSDCRZIIINX-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@H+](C[C@@H]1CCOC1)c1ccc(C)cc1C ZINC000917408254 642060122 /nfs/dbraw/zinc/06/01/22/642060122.db2.gz IBQUSDCRZIIINX-AWEZNQCLSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@@H+](C[C@H]1CCOC1)c1ccc(C)cc1C ZINC000917408262 642059990 /nfs/dbraw/zinc/05/99/90/642059990.db2.gz IBQUSDCRZIIINX-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO CC[N@H+](C[C@H]1CCOC1)c1ccc(C)cc1C ZINC000917408262 642059985 /nfs/dbraw/zinc/05/99/85/642059985.db2.gz IBQUSDCRZIIINX-CQSZACIVSA-N 1 2 233.355 3.166 20 0 BGADLO CC(C)C(C)(C)SCc1ccc(N)[nH+]c1 ZINC000917561230 642082420 /nfs/dbraw/zinc/08/24/20/642082420.db2.gz ISPDKKQTRIBECF-UHFFFAOYSA-N 1 2 224.373 3.332 20 0 BGADLO Cc1cc(C)c(NC(=O)C=C2CCCC2)c(C)[nH+]1 ZINC000917632460 642101890 /nfs/dbraw/zinc/10/18/90/642101890.db2.gz GLXIBWDVPWTKAU-UHFFFAOYSA-N 1 2 244.338 3.446 20 0 BGADLO CC(C)(C)c1cn(Cc2cnc(C3CC3)o2)c[nH+]1 ZINC000918474252 642203652 /nfs/dbraw/zinc/20/36/52/642203652.db2.gz JEMWDYGKMYLOHS-UHFFFAOYSA-N 1 2 245.326 3.094 20 0 BGADLO CC(C)(C)c1cn(C[C@H]2CC[C@H](C3CC3)O2)c[nH+]1 ZINC000918474711 642203049 /nfs/dbraw/zinc/20/30/49/642203049.db2.gz MXFWAXMICNDEOK-CHWSQXEVSA-N 1 2 248.370 3.138 20 0 BGADLO CC(C)(C)c1cn(C[C@H]2CC[C@@H](C3CC3)O2)c[nH+]1 ZINC000918474712 642203710 /nfs/dbraw/zinc/20/37/10/642203710.db2.gz MXFWAXMICNDEOK-OLZOCXBDSA-N 1 2 248.370 3.138 20 0 BGADLO CC(C)(C)c1cn(C[C@@H]2CC[C@H](C3CC3)O2)c[nH+]1 ZINC000918474713 642202534 /nfs/dbraw/zinc/20/25/34/642202534.db2.gz MXFWAXMICNDEOK-QWHCGFSZSA-N 1 2 248.370 3.138 20 0 BGADLO CC(C)(C)c1cn(C[C@@H]2CC[C@@H](C3CC3)O2)c[nH+]1 ZINC000918474714 642202734 /nfs/dbraw/zinc/20/27/34/642202734.db2.gz MXFWAXMICNDEOK-STQMWFEESA-N 1 2 248.370 3.138 20 0 BGADLO CCc1onc(C)c1Cn1c[nH+]c(C(C)(C)C)c1 ZINC000918475422 642202373 /nfs/dbraw/zinc/20/23/73/642202373.db2.gz WUZOMQAHXUAMDO-UHFFFAOYSA-N 1 2 247.342 3.088 20 0 BGADLO Clc1cc(C[NH+]2CCCCC2)cc(Cl)n1 ZINC000918756835 642263158 /nfs/dbraw/zinc/26/31/58/642263158.db2.gz VREHJEMZJYDJJJ-UHFFFAOYSA-N 1 2 245.153 3.374 20 0 BGADLO CCCCn1c[nH+]c(Cc2ccccc2)c1 ZINC000919135256 642301601 /nfs/dbraw/zinc/30/16/01/642301601.db2.gz CUUXJATWQZPKPL-UHFFFAOYSA-N 1 2 214.312 3.274 20 0 BGADLO C1=CCC(Cn2c[nH+]c(Cc3ccccc3)c2)C1 ZINC000919151284 642304797 /nfs/dbraw/zinc/30/47/97/642304797.db2.gz QYAFWPCTDJVIPL-UHFFFAOYSA-N 1 2 238.334 3.440 20 0 BGADLO CC(C)C(C)(C)CSCCn1cc[nH+]c1 ZINC000919275407 642319823 /nfs/dbraw/zinc/31/98/23/642319823.db2.gz BQIPTGAGZMMCQU-UHFFFAOYSA-N 1 2 226.389 3.299 20 0 BGADLO C(=C\c1ccc2ccccc2n1)\c1[nH]cc[nH+]1 ZINC000920241271 642463060 /nfs/dbraw/zinc/46/30/60/642463060.db2.gz QENCPJBCRFCWDW-FPLPWBNLSA-N 1 2 221.263 3.128 20 0 BGADLO Clc1ccc2oc(/C=C\c3[nH]cc[nH+]3)nc2c1 ZINC000920242391 642464247 /nfs/dbraw/zinc/46/42/47/642464247.db2.gz YVZGJGZDNQCASJ-ARJAWSKDSA-N 1 2 245.669 3.375 20 0 BGADLO Cc1ccc2sc(/C=C\c3[nH]cc[nH+]3)nc2c1 ZINC000920243367 642465175 /nfs/dbraw/zinc/46/51/75/642465175.db2.gz IRXHLOMWOFHLGF-PLNGDYQASA-N 1 2 241.319 3.498 20 0 BGADLO c1ccc(NCc2ccc3c(c2)CCCO3)[nH+]c1 ZINC000921563341 643611314 /nfs/dbraw/zinc/61/13/14/643611314.db2.gz NICYKOWSBBHENR-UHFFFAOYSA-N 1 2 240.306 3.019 20 0 BGADLO C[C@@H]1Cc2cc(CNc3cccc[nH+]3)ccc2O1 ZINC000921564301 643609397 /nfs/dbraw/zinc/60/93/97/643609397.db2.gz VVIIUMGZFKRBNA-LLVKDONJSA-N 1 2 240.306 3.017 20 0 BGADLO C[C@H]1Cc2cc(CNc3cccc[nH+]3)ccc2O1 ZINC000921564302 643609817 /nfs/dbraw/zinc/60/98/17/643609817.db2.gz VVIIUMGZFKRBNA-NSHDSACASA-N 1 2 240.306 3.017 20 0 BGADLO CCC(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921667155 643710732 /nfs/dbraw/zinc/71/07/32/643710732.db2.gz CCKHUSUZWGVARC-UHFFFAOYSA-N 1 2 243.310 3.042 20 0 BGADLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc[nH]1 ZINC000921939633 643830539 /nfs/dbraw/zinc/83/05/39/643830539.db2.gz UWMOUKDLFMMEQX-JTQLQIEISA-N 1 2 247.342 3.151 20 0 BGADLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1ccc[nH]1 ZINC000921939634 643830498 /nfs/dbraw/zinc/83/04/98/643830498.db2.gz UWMOUKDLFMMEQX-SNVBAGLBSA-N 1 2 247.342 3.151 20 0 BGADLO COc1ccc(C[NH2+]C(C)(C)C(F)F)c(C)c1 ZINC000922078325 643859353 /nfs/dbraw/zinc/85/93/53/643859353.db2.gz WZVDZPHNMWOFOO-UHFFFAOYSA-N 1 2 243.297 3.137 20 0 BGADLO Cc1[nH]c(CNc2ccc(C(C)C)nc2)[nH+]c1C ZINC000922585293 644035485 /nfs/dbraw/zinc/03/54/85/644035485.db2.gz FAEZNDMOFZHHBZ-UHFFFAOYSA-N 1 2 244.342 3.157 20 0 BGADLO Cc1cnc(C[NH2+][C@@H](C)c2ccc(F)cc2C)o1 ZINC000922666136 711975248 /nfs/dbraw/zinc/97/52/48/711975248.db2.gz WTDYQNUYTYYEPH-NSHDSACASA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc(C[NH2+][C@H](C)c2ccc(F)cc2C)no1 ZINC000922667719 644063436 /nfs/dbraw/zinc/06/34/36/644063436.db2.gz SBQYKAKFDIGLOS-LLVKDONJSA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cnc(C[NH2+][C@H](C)c2ccc(F)cc2C)o1 ZINC000922667981 644063632 /nfs/dbraw/zinc/06/36/32/644063632.db2.gz WTDYQNUYTYYEPH-LLVKDONJSA-N 1 2 248.301 3.281 20 0 BGADLO Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2C)no1 ZINC000922670278 644063307 /nfs/dbraw/zinc/06/33/07/644063307.db2.gz SBQYKAKFDIGLOS-NSHDSACASA-N 1 2 248.301 3.281 20 0 BGADLO CC(C)C[C@@H](c1nc(C(C)C)no1)n1cc[nH+]c1 ZINC000923760317 642304961 /nfs/dbraw/zinc/30/49/61/642304961.db2.gz KSQSZMDSVRVGCF-NSHDSACASA-N 1 2 248.330 3.025 20 0 BGADLO CC(C)(C)c1noc([C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000923969771 640394307 /nfs/dbraw/zinc/39/43/07/640394307.db2.gz KJKZADDJURFYBS-LLVKDONJSA-N 1 2 249.358 3.057 20 0 BGADLO CC(C)(C)c1noc([C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000923969771 640394302 /nfs/dbraw/zinc/39/43/02/640394302.db2.gz KJKZADDJURFYBS-LLVKDONJSA-N 1 2 249.358 3.057 20 0 BGADLO CC(C)(C)c1noc([C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000923969772 640393224 /nfs/dbraw/zinc/39/32/24/640393224.db2.gz KJKZADDJURFYBS-NSHDSACASA-N 1 2 249.358 3.057 20 0 BGADLO CC(C)(C)c1noc([C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000923969772 640393220 /nfs/dbraw/zinc/39/32/20/640393220.db2.gz KJKZADDJURFYBS-NSHDSACASA-N 1 2 249.358 3.057 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ncco1)c1cccs1 ZINC000924549183 646067125 /nfs/dbraw/zinc/06/71/25/646067125.db2.gz RVDRYXIKWWOVCQ-BDAKNGLRSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ncco1 ZINC000924549185 646064419 /nfs/dbraw/zinc/06/44/19/646064419.db2.gz RVDRYXIKWWOVCQ-DTWKUNHWSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1ncco1)c1cccs1 ZINC000924549187 646063443 /nfs/dbraw/zinc/06/34/43/646063443.db2.gz RVDRYXIKWWOVCQ-IUCAKERBSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1ncco1)c1cccs1 ZINC000924549189 646063557 /nfs/dbraw/zinc/06/35/57/646063557.db2.gz RVDRYXIKWWOVCQ-RKDXNWHRSA-N 1 2 222.313 3.148 20 0 BGADLO CSCC[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000924552846 646065783 /nfs/dbraw/zinc/06/57/83/646065783.db2.gz RLLFUDSPOTWCLD-JTQLQIEISA-N 1 2 245.338 3.120 20 0 BGADLO CSCC[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000924552849 646067237 /nfs/dbraw/zinc/06/72/37/646067237.db2.gz RLLFUDSPOTWCLD-SNVBAGLBSA-N 1 2 245.338 3.120 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncco2)cc1 ZINC000924714803 646093862 /nfs/dbraw/zinc/09/38/62/646093862.db2.gz SDQYHBICPHJROX-NEPJUHHUSA-N 1 2 230.311 3.395 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncco2)cc1 ZINC000924714807 646094074 /nfs/dbraw/zinc/09/40/74/646094074.db2.gz SDQYHBICPHJROX-NWDGAFQWSA-N 1 2 230.311 3.395 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncco2)cc1 ZINC000924714811 646092413 /nfs/dbraw/zinc/09/24/13/646092413.db2.gz SDQYHBICPHJROX-RYUDHWBXSA-N 1 2 230.311 3.395 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncco2)cc1 ZINC000924714814 646094024 /nfs/dbraw/zinc/09/40/24/646094024.db2.gz SDQYHBICPHJROX-VXGBXAGGSA-N 1 2 230.311 3.395 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncco2)s1 ZINC000924764335 637138497 /nfs/dbraw/zinc/13/84/97/637138497.db2.gz HYYPREIQLLDIKJ-NXEZZACHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncco2)s1 ZINC000924764336 637138105 /nfs/dbraw/zinc/13/81/05/637138105.db2.gz HYYPREIQLLDIKJ-UWVGGRQHSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncco2)s1 ZINC000924764337 637136987 /nfs/dbraw/zinc/13/69/87/637136987.db2.gz HYYPREIQLLDIKJ-VHSXEESVSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncco2)s1 ZINC000924764338 637138342 /nfs/dbraw/zinc/13/83/42/637138342.db2.gz HYYPREIQLLDIKJ-ZJUUUORDSA-N 1 2 236.340 3.456 20 0 BGADLO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccoc1C ZINC000924827467 646115006 /nfs/dbraw/zinc/11/50/06/646115006.db2.gz SWDFWFZWEYLDER-GFCCVEGCSA-N 1 2 246.310 3.052 20 0 BGADLO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccoc1C ZINC000924827468 646114528 /nfs/dbraw/zinc/11/45/28/646114528.db2.gz SWDFWFZWEYLDER-LBPRGKRZSA-N 1 2 246.310 3.052 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ncco1 ZINC000924844388 646116604 /nfs/dbraw/zinc/11/66/04/646116604.db2.gz TZPQRCDDRONOHJ-NOZJJQNGSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ncco1 ZINC000924844391 646116507 /nfs/dbraw/zinc/11/65/07/646116507.db2.gz TZPQRCDDRONOHJ-RNCFNFMXSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)c1ncco1 ZINC000924844393 646117667 /nfs/dbraw/zinc/11/76/67/646117667.db2.gz TZPQRCDDRONOHJ-TVQRCGJNSA-N 1 2 246.285 3.152 20 0 BGADLO C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)c1ncco1 ZINC000924844395 646116826 /nfs/dbraw/zinc/11/68/26/646116826.db2.gz TZPQRCDDRONOHJ-ZANVPECISA-N 1 2 246.285 3.152 20 0 BGADLO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ncco2)cc1 ZINC000924858066 646119525 /nfs/dbraw/zinc/11/95/25/646119525.db2.gz LAELYCPICFWYNK-GHMZBOCLSA-N 1 2 246.310 3.095 20 0 BGADLO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncco2)cc1 ZINC000924858068 646119752 /nfs/dbraw/zinc/11/97/52/646119752.db2.gz LAELYCPICFWYNK-MNOVXSKESA-N 1 2 246.310 3.095 20 0 BGADLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ncco2)cc1 ZINC000924858069 646119043 /nfs/dbraw/zinc/11/90/43/646119043.db2.gz LAELYCPICFWYNK-QWRGUYRKSA-N 1 2 246.310 3.095 20 0 BGADLO COc1ccc([C@H](C)[NH2+][C@H](C)c2ncco2)cc1 ZINC000924858070 646119146 /nfs/dbraw/zinc/11/91/46/646119146.db2.gz LAELYCPICFWYNK-WDEREUQCSA-N 1 2 246.310 3.095 20 0 BGADLO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccn[nH]1 ZINC000924987851 635825804 /nfs/dbraw/zinc/82/58/04/635825804.db2.gz AYAWWBVAXWBPBY-BXUZGUMPSA-N 1 2 233.359 3.024 20 0 BGADLO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccn[nH]1 ZINC000924987859 635825743 /nfs/dbraw/zinc/82/57/43/635825743.db2.gz AYAWWBVAXWBPBY-RISCZKNCSA-N 1 2 233.359 3.024 20 0 BGADLO CCc1cnccc1[C@H](C)[C@H](C)c1cn(C)c[nH+]1 ZINC000925290332 646234922 /nfs/dbraw/zinc/23/49/22/646234922.db2.gz RBCJJDFYCBIVGN-NEPJUHHUSA-N 1 2 243.354 3.285 20 0 BGADLO CCc1cnccc1[C@@H](C)[C@@H](C)c1cn(C)c[nH+]1 ZINC000925290333 646234190 /nfs/dbraw/zinc/23/41/90/646234190.db2.gz RBCJJDFYCBIVGN-NWDGAFQWSA-N 1 2 243.354 3.285 20 0 BGADLO CCc1cnccc1[C@@H](C)[C@H](C)c1cn(C)c[nH+]1 ZINC000925290334 646233838 /nfs/dbraw/zinc/23/38/38/646233838.db2.gz RBCJJDFYCBIVGN-RYUDHWBXSA-N 1 2 243.354 3.285 20 0 BGADLO CCc1cnccc1[C@H](C)[C@@H](C)c1cn(C)c[nH+]1 ZINC000925290335 646235194 /nfs/dbraw/zinc/23/51/94/646235194.db2.gz RBCJJDFYCBIVGN-VXGBXAGGSA-N 1 2 243.354 3.285 20 0 BGADLO Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)c1ncco1 ZINC000925369712 646254723 /nfs/dbraw/zinc/25/47/23/646254723.db2.gz JLMVOPUMBFEOHD-BXUZGUMPSA-N 1 2 242.322 3.321 20 0 BGADLO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ncco1 ZINC000925369714 646253781 /nfs/dbraw/zinc/25/37/81/646253781.db2.gz JLMVOPUMBFEOHD-FZMZJTMJSA-N 1 2 242.322 3.321 20 0 BGADLO Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)c1ncco1 ZINC000925369715 646254367 /nfs/dbraw/zinc/25/43/67/646254367.db2.gz JLMVOPUMBFEOHD-RISCZKNCSA-N 1 2 242.322 3.321 20 0 BGADLO Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ncco1 ZINC000925369716 646253891 /nfs/dbraw/zinc/25/38/91/646253891.db2.gz JLMVOPUMBFEOHD-SMDDNHRTSA-N 1 2 242.322 3.321 20 0 BGADLO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ncco1)CC2 ZINC000925372740 644286154 /nfs/dbraw/zinc/28/61/54/644286154.db2.gz AZFNZFOMHDYETB-BXUZGUMPSA-N 1 2 242.322 3.321 20 0 BGADLO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ncco1)CC2 ZINC000925372741 644286848 /nfs/dbraw/zinc/28/68/48/644286848.db2.gz AZFNZFOMHDYETB-FZMZJTMJSA-N 1 2 242.322 3.321 20 0 BGADLO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ncco1)CC2 ZINC000925372742 644286496 /nfs/dbraw/zinc/28/64/96/644286496.db2.gz AZFNZFOMHDYETB-RISCZKNCSA-N 1 2 242.322 3.321 20 0 BGADLO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ncco1)CC2 ZINC000925372743 644285635 /nfs/dbraw/zinc/28/56/35/644285635.db2.gz AZFNZFOMHDYETB-SMDDNHRTSA-N 1 2 242.322 3.321 20 0 BGADLO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000925683744 634287699 /nfs/dbraw/zinc/28/76/99/634287699.db2.gz APNCVUVKUVHPTM-GHMZBOCLSA-N 1 2 245.326 3.044 20 0 BGADLO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000925683746 634287279 /nfs/dbraw/zinc/28/72/79/634287279.db2.gz APNCVUVKUVHPTM-MNOVXSKESA-N 1 2 245.326 3.044 20 0 BGADLO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000925683747 634288132 /nfs/dbraw/zinc/28/81/32/634288132.db2.gz APNCVUVKUVHPTM-QWRGUYRKSA-N 1 2 245.326 3.044 20 0 BGADLO CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1ncco1 ZINC000925683749 634287878 /nfs/dbraw/zinc/28/78/78/634287878.db2.gz APNCVUVKUVHPTM-WDEREUQCSA-N 1 2 245.326 3.044 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1ncco1 ZINC000925720021 646444557 /nfs/dbraw/zinc/44/45/57/646444557.db2.gz DBKDFBXUSVIPSP-LLVKDONJSA-N 1 2 245.326 3.222 20 0 BGADLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1ncco1 ZINC000925720022 646444731 /nfs/dbraw/zinc/44/47/31/646444731.db2.gz DBKDFBXUSVIPSP-NSHDSACASA-N 1 2 245.326 3.222 20 0 BGADLO C[C@@H]([NH2+]C1(c2ccccc2)CCC1)c1ncco1 ZINC000925779163 646477097 /nfs/dbraw/zinc/47/70/97/646477097.db2.gz LZZNRBVVNRFLCJ-GFCCVEGCSA-N 1 2 242.322 3.405 20 0 BGADLO C[C@H]([NH2+]C1(c2ccccc2)CCC1)c1ncco1 ZINC000925779164 646476934 /nfs/dbraw/zinc/47/69/34/646476934.db2.gz LZZNRBVVNRFLCJ-LBPRGKRZSA-N 1 2 242.322 3.405 20 0 BGADLO C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1ncco1 ZINC000925827208 635448858 /nfs/dbraw/zinc/44/88/58/635448858.db2.gz SOQUAOGZNOUUOU-LLVKDONJSA-N 1 2 228.295 3.015 20 0 BGADLO C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ncco1 ZINC000925827209 635449370 /nfs/dbraw/zinc/44/93/70/635449370.db2.gz SOQUAOGZNOUUOU-NSHDSACASA-N 1 2 228.295 3.015 20 0 BGADLO Cc1ccc(NC2CC3(C2)CO[C@H](C)C3)c(C)[nH+]1 ZINC000925929920 646543813 /nfs/dbraw/zinc/54/38/13/646543813.db2.gz FHBGYNIHXSDCFS-NUYPLMSZSA-N 1 2 246.354 3.068 20 0 BGADLO Cc1ccc(NC2CC3(C2)CO[C@@H](C)C3)c(C)[nH+]1 ZINC000925929921 646544237 /nfs/dbraw/zinc/54/42/37/646544237.db2.gz FHBGYNIHXSDCFS-ZOODHJKOSA-N 1 2 246.354 3.068 20 0 BGADLO C[C@H](Nc1ccc([NH+](C)C)cc1)c1ccns1 ZINC000926024624 643386010 /nfs/dbraw/zinc/38/60/10/643386010.db2.gz BCDJWCUFSPWTAP-JTQLQIEISA-N 1 2 247.367 3.382 20 0 BGADLO C[C@@H](Nc1ccc([NH+](C)C)cc1)c1ccns1 ZINC000926024625 643387236 /nfs/dbraw/zinc/38/72/36/643387236.db2.gz BCDJWCUFSPWTAP-SNVBAGLBSA-N 1 2 247.367 3.382 20 0 BGADLO Cc1cc(N[C@H](C)c2ncco2)ccc1[NH+](C)C ZINC000926049918 646563958 /nfs/dbraw/zinc/56/39/58/646563958.db2.gz PIVIIACZXIEVEQ-LLVKDONJSA-N 1 2 245.326 3.222 20 0 BGADLO Cc1cc(N[C@@H](C)c2ncco2)ccc1[NH+](C)C ZINC000926049920 646563976 /nfs/dbraw/zinc/56/39/76/646563976.db2.gz PIVIIACZXIEVEQ-NSHDSACASA-N 1 2 245.326 3.222 20 0 BGADLO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ncco1 ZINC000926189738 646590801 /nfs/dbraw/zinc/59/08/01/646590801.db2.gz OLNHKLDQFZBHMJ-GXSJLCMTSA-N 1 2 248.351 3.464 20 0 BGADLO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ncco1 ZINC000926189739 646590299 /nfs/dbraw/zinc/59/02/99/646590299.db2.gz OLNHKLDQFZBHMJ-KOLCDFICSA-N 1 2 248.351 3.464 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ncco1 ZINC000926189740 646590356 /nfs/dbraw/zinc/59/03/56/646590356.db2.gz OLNHKLDQFZBHMJ-MWLCHTKSSA-N 1 2 248.351 3.464 20 0 BGADLO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ncco1 ZINC000926189741 646591178 /nfs/dbraw/zinc/59/11/78/646591178.db2.gz OLNHKLDQFZBHMJ-ONGXEEELSA-N 1 2 248.351 3.464 20 0 BGADLO CCC[C@H]([NH2+]CCF)c1ncccc1Cl ZINC000926349119 646620017 /nfs/dbraw/zinc/62/00/17/646620017.db2.gz UDMCBZQPTJFBOL-JTQLQIEISA-N 1 2 230.714 3.135 20 0 BGADLO CCC[C@@H]([NH2+]CCF)c1ncccc1Cl ZINC000926349123 646621147 /nfs/dbraw/zinc/62/11/47/646621147.db2.gz UDMCBZQPTJFBOL-SNVBAGLBSA-N 1 2 230.714 3.135 20 0 BGADLO Cc1cccc([C@H]([NH2+]CCF)c2ccccn2)c1 ZINC000926349416 646623600 /nfs/dbraw/zinc/62/36/00/646623600.db2.gz YALVLZRSQLFXBK-HNNXBMFYSA-N 1 2 244.313 3.039 20 0 BGADLO Cc1cccc([C@@H]([NH2+]CCF)c2ccccn2)c1 ZINC000926349417 646623958 /nfs/dbraw/zinc/62/39/58/646623958.db2.gz YALVLZRSQLFXBK-OAHLLOKOSA-N 1 2 244.313 3.039 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ncco1)c1ccsc1 ZINC000926370816 631757688 /nfs/dbraw/zinc/75/76/88/631757688.db2.gz VAHKIEFESWJQKV-BDAKNGLRSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1ncco1 ZINC000926370818 631757057 /nfs/dbraw/zinc/75/70/57/631757057.db2.gz VAHKIEFESWJQKV-DTWKUNHWSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@H]([NH2+][C@@H](C)c1ncco1)c1ccsc1 ZINC000926370819 631757934 /nfs/dbraw/zinc/75/79/34/631757934.db2.gz VAHKIEFESWJQKV-IUCAKERBSA-N 1 2 222.313 3.148 20 0 BGADLO C[C@@H]([NH2+][C@H](C)c1ncco1)c1ccsc1 ZINC000926370821 631758007 /nfs/dbraw/zinc/75/80/07/631758007.db2.gz VAHKIEFESWJQKV-RKDXNWHRSA-N 1 2 222.313 3.148 20 0 BGADLO Cc1ccoc1C[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000926470231 646652344 /nfs/dbraw/zinc/65/23/44/646652344.db2.gz IVLQZXUXVVWAGA-LLVKDONJSA-N 1 2 246.310 3.052 20 0 BGADLO Cc1ccoc1C[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000926470233 646652121 /nfs/dbraw/zinc/65/21/21/646652121.db2.gz IVLQZXUXVVWAGA-NSHDSACASA-N 1 2 246.310 3.052 20 0 BGADLO C[C@@H]([NH2+]CC(C)(F)F)c1cc2ccccc2[nH]1 ZINC000926485990 632122614 /nfs/dbraw/zinc/12/26/14/632122614.db2.gz LQKKHYFRAXVJET-SECBINFHSA-N 1 2 238.281 3.474 20 0 BGADLO C[C@H]([NH2+]CC(C)(F)F)c1cc2ccccc2[nH]1 ZINC000926485991 632124080 /nfs/dbraw/zinc/12/40/80/632124080.db2.gz LQKKHYFRAXVJET-VIFPVBQESA-N 1 2 238.281 3.474 20 0 BGADLO C[C@H]([NH2+][C@@H]1CC12CC2)C(F)(F)c1ccccc1 ZINC000926614329 632685649 /nfs/dbraw/zinc/68/56/49/632685649.db2.gz IWOHPTSSASAWAH-CMPLNLGQSA-N 1 2 237.293 3.309 20 0 BGADLO C[C@H]([NH2+][C@H]1CC12CC2)C(F)(F)c1ccccc1 ZINC000926614330 632685705 /nfs/dbraw/zinc/68/57/05/632685705.db2.gz IWOHPTSSASAWAH-JQWIXIFHSA-N 1 2 237.293 3.309 20 0 BGADLO C[C@@H]([NH2+][C@H]1CC12CC2)C(F)(F)c1ccccc1 ZINC000926614331 632685976 /nfs/dbraw/zinc/68/59/76/632685976.db2.gz IWOHPTSSASAWAH-PWSUYJOCSA-N 1 2 237.293 3.309 20 0 BGADLO C[C@@H]([NH2+][C@@H]1CC12CC2)C(F)(F)c1ccccc1 ZINC000926614332 632686113 /nfs/dbraw/zinc/68/61/13/632686113.db2.gz IWOHPTSSASAWAH-ZYHUDNBSSA-N 1 2 237.293 3.309 20 0 BGADLO Cc1ccccc1C1([NH2+][C@H](C)c2ncco2)CC1 ZINC000926628485 645323688 /nfs/dbraw/zinc/32/36/88/645323688.db2.gz TUKSPZFFELGYSB-GFCCVEGCSA-N 1 2 242.322 3.323 20 0 BGADLO Cc1ccccc1C1([NH2+][C@@H](C)c2ncco2)CC1 ZINC000926628488 645323625 /nfs/dbraw/zinc/32/36/25/645323625.db2.gz TUKSPZFFELGYSB-LBPRGKRZSA-N 1 2 242.322 3.323 20 0 BGADLO COCc1cc[nH+]c(NC2CC3(C2)CCCC3)c1 ZINC000926663704 645344835 /nfs/dbraw/zinc/34/48/35/645344835.db2.gz WSETYUKVCVSPGE-UHFFFAOYSA-N 1 2 246.354 3.363 20 0 BGADLO Cc1ccc(C[NH2+][C@@H]2CCCc3oc(C)nc32)o1 ZINC000926789479 645433709 /nfs/dbraw/zinc/43/37/09/645433709.db2.gz SOBZXLUVNJOSDF-GFCCVEGCSA-N 1 2 246.310 3.052 20 0 BGADLO Cc1ccc(C[NH2+][C@H]2CCCc3oc(C)nc32)o1 ZINC000926789480 645433522 /nfs/dbraw/zinc/43/35/22/645433522.db2.gz SOBZXLUVNJOSDF-LBPRGKRZSA-N 1 2 246.310 3.052 20 0 BGADLO Cc1cc(N[C@@H](C)c2ccns2)c[nH+]c1C ZINC000926854440 645457356 /nfs/dbraw/zinc/45/73/56/645457356.db2.gz BOYKCUUWALBOTH-JTQLQIEISA-N 1 2 233.340 3.328 20 0 BGADLO Cc1cc(N[C@H](C)c2ccns2)c[nH+]c1C ZINC000926854441 645456398 /nfs/dbraw/zinc/45/63/98/645456398.db2.gz BOYKCUUWALBOTH-SNVBAGLBSA-N 1 2 233.340 3.328 20 0 BGADLO CSC1CC(Nc2c[nH+]c(C)c(C)c2)C1 ZINC000926854593 645456912 /nfs/dbraw/zinc/45/69/12/645456912.db2.gz CVFXXUKZIHXLDS-UHFFFAOYSA-N 1 2 222.357 3.004 20 0 BGADLO Cc1cc(NC2CC3(C2)CO[C@@H](C)C3)c[nH+]c1C ZINC000926854998 645457182 /nfs/dbraw/zinc/45/71/82/645457182.db2.gz FZRJCJFXJHAHHZ-QGLTVNCISA-N 1 2 246.354 3.068 20 0 BGADLO Cc1cc(NC2CC3(C2)CO[C@H](C)C3)c[nH+]c1C ZINC000926854999 645457860 /nfs/dbraw/zinc/45/78/60/645457860.db2.gz FZRJCJFXJHAHHZ-VCANKDNSSA-N 1 2 246.354 3.068 20 0 BGADLO Cc1cc(N[C@H](C)Cc2ccccn2)c[nH+]c1C ZINC000926856026 645457193 /nfs/dbraw/zinc/45/71/93/645457193.db2.gz PDIGHCRXSIRPIL-GFCCVEGCSA-N 1 2 241.338 3.137 20 0 BGADLO Cc1cc(N[C@@H](C)Cc2ccccn2)c[nH+]c1C ZINC000926856027 645456610 /nfs/dbraw/zinc/45/66/10/645456610.db2.gz PDIGHCRXSIRPIL-LBPRGKRZSA-N 1 2 241.338 3.137 20 0 BGADLO Cc1noc(C)c1[C@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000926856293 645457984 /nfs/dbraw/zinc/45/79/84/645457984.db2.gz REUMFTMONJBWBQ-JTQLQIEISA-N 1 2 245.326 3.476 20 0 BGADLO Cc1noc(C)c1[C@@H](C)Nc1c[nH+]c(C)c(C)c1 ZINC000926856294 645458033 /nfs/dbraw/zinc/45/80/33/645458033.db2.gz REUMFTMONJBWBQ-SNVBAGLBSA-N 1 2 245.326 3.476 20 0 BGADLO Cc1cc(N[C@H]2CCOC[C@@H]2C(C)C)c[nH+]c1C ZINC000926856877 645457896 /nfs/dbraw/zinc/45/78/96/645457896.db2.gz ZUZPJXZHDJQBJI-CABCVRRESA-N 1 2 248.370 3.171 20 0 BGADLO Cc1cc(N[C@H]2CCOC[C@H]2C(C)C)c[nH+]c1C ZINC000926856878 633236725 /nfs/dbraw/zinc/23/67/25/633236725.db2.gz ZUZPJXZHDJQBJI-GJZGRUSLSA-N 1 2 248.370 3.171 20 0 BGADLO Cc1cc(N[C@@H]2CCOC[C@@H]2C(C)C)c[nH+]c1C ZINC000926856879 633237295 /nfs/dbraw/zinc/23/72/95/633237295.db2.gz ZUZPJXZHDJQBJI-HUUCEWRRSA-N 1 2 248.370 3.171 20 0 BGADLO Cc1cc(N[C@@H]2CCOC[C@H]2C(C)C)c[nH+]c1C ZINC000926856880 633237528 /nfs/dbraw/zinc/23/75/28/633237528.db2.gz ZUZPJXZHDJQBJI-LSDHHAIUSA-N 1 2 248.370 3.171 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)C(F)F)c1cc2ccccc2[nH]1 ZINC000926864026 645462719 /nfs/dbraw/zinc/46/27/19/645462719.db2.gz FARRGRLTIIJPFN-BDAKNGLRSA-N 1 2 238.281 3.472 20 0 BGADLO C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2[nH]1)C(F)F ZINC000926864027 645464518 /nfs/dbraw/zinc/46/45/18/645464518.db2.gz FARRGRLTIIJPFN-DTWKUNHWSA-N 1 2 238.281 3.472 20 0 BGADLO C[C@H]([NH2+][C@@H](C)C(F)F)c1cc2ccccc2[nH]1 ZINC000926864028 645462502 /nfs/dbraw/zinc/46/25/02/645462502.db2.gz FARRGRLTIIJPFN-IUCAKERBSA-N 1 2 238.281 3.472 20 0 BGADLO C[C@@H]([NH2+][C@H](C)C(F)F)c1cc2ccccc2[nH]1 ZINC000926864029 645463310 /nfs/dbraw/zinc/46/33/10/645463310.db2.gz FARRGRLTIIJPFN-RKDXNWHRSA-N 1 2 238.281 3.472 20 0 BGADLO CCc1ncc(C[N@@H+](C)Cc2ccccc2F)o1 ZINC000929121118 645956557 /nfs/dbraw/zinc/95/65/57/645956557.db2.gz HJGOEVPIBJEJKU-UHFFFAOYSA-N 1 2 248.301 3.008 20 0 BGADLO CCc1ncc(C[N@H+](C)Cc2ccccc2F)o1 ZINC000929121118 645956552 /nfs/dbraw/zinc/95/65/52/645956552.db2.gz HJGOEVPIBJEJKU-UHFFFAOYSA-N 1 2 248.301 3.008 20 0 BGADLO CC[N@@H+](Cc1cccs1)[C@H](C)c1ncccn1 ZINC000929131929 645963276 /nfs/dbraw/zinc/96/32/76/645963276.db2.gz GIFKAHOCRQICTQ-LLVKDONJSA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@H+](Cc1cccs1)[C@H](C)c1ncccn1 ZINC000929131929 645963271 /nfs/dbraw/zinc/96/32/71/645963271.db2.gz GIFKAHOCRQICTQ-LLVKDONJSA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@@H+](Cc1cccs1)[C@@H](C)c1ncccn1 ZINC000929131931 645964663 /nfs/dbraw/zinc/96/46/63/645964663.db2.gz GIFKAHOCRQICTQ-NSHDSACASA-N 1 2 247.367 3.121 20 0 BGADLO CC[N@H+](Cc1cccs1)[C@@H](C)c1ncccn1 ZINC000929131931 645964661 /nfs/dbraw/zinc/96/46/61/645964661.db2.gz GIFKAHOCRQICTQ-NSHDSACASA-N 1 2 247.367 3.121 20 0 BGADLO CCc1onc(C)c1C[N@@H+](C)Cc1ccc(C)o1 ZINC000929213994 643190989 /nfs/dbraw/zinc/19/09/89/643190989.db2.gz VDFZQVAAUQWXAA-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1onc(C)c1C[N@H+](C)Cc1ccc(C)o1 ZINC000929213994 643190987 /nfs/dbraw/zinc/19/09/87/643190987.db2.gz VDFZQVAAUQWXAA-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CC(C)c1nsc(C[N@H+]2CCCC[C@@H]2C)n1 ZINC000929218131 643584777 /nfs/dbraw/zinc/58/47/77/643584777.db2.gz OUTWIZMOQGPCGE-JTQLQIEISA-N 1 2 239.388 3.036 20 0 BGADLO CC(C)c1nsc(C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000929218131 643584771 /nfs/dbraw/zinc/58/47/71/643584771.db2.gz OUTWIZMOQGPCGE-JTQLQIEISA-N 1 2 239.388 3.036 20 0 BGADLO CC(C)c1nsc(C[N@H+]2CCCC[C@H]2C)n1 ZINC000929218132 643585427 /nfs/dbraw/zinc/58/54/27/643585427.db2.gz OUTWIZMOQGPCGE-SNVBAGLBSA-N 1 2 239.388 3.036 20 0 BGADLO CC(C)c1nsc(C[N@@H+]2CCCC[C@H]2C)n1 ZINC000929218132 643585424 /nfs/dbraw/zinc/58/54/24/643585424.db2.gz OUTWIZMOQGPCGE-SNVBAGLBSA-N 1 2 239.388 3.036 20 0 BGADLO Cc1cc(C[N@H+](C)Cc2ccccc2CF)no1 ZINC000929259148 646043548 /nfs/dbraw/zinc/04/35/48/646043548.db2.gz RPKSHNNXBVVWAF-UHFFFAOYSA-N 1 2 248.301 3.085 20 0 BGADLO Cc1cc(C[N@@H+](C)Cc2ccccc2CF)no1 ZINC000929259148 646043541 /nfs/dbraw/zinc/04/35/41/646043541.db2.gz RPKSHNNXBVVWAF-UHFFFAOYSA-N 1 2 248.301 3.085 20 0 BGADLO CCCC[N@@H+](Cc1c(F)cncc1F)C1CC1 ZINC000929266757 643875216 /nfs/dbraw/zinc/87/52/16/643875216.db2.gz ULBZDGAYMGRAQR-UHFFFAOYSA-N 1 2 240.297 3.124 20 0 BGADLO CCCC[N@H+](Cc1c(F)cncc1F)C1CC1 ZINC000929266757 643875214 /nfs/dbraw/zinc/87/52/14/643875214.db2.gz ULBZDGAYMGRAQR-UHFFFAOYSA-N 1 2 240.297 3.124 20 0 BGADLO CC(C)c1nsc(C[N@H+](C(C)C)C2CC2)n1 ZINC000929274376 646054863 /nfs/dbraw/zinc/05/48/63/646054863.db2.gz DZFZCOZCQGBZPE-UHFFFAOYSA-N 1 2 239.388 3.034 20 0 BGADLO CC(C)c1nsc(C[N@@H+](C(C)C)C2CC2)n1 ZINC000929274376 646054856 /nfs/dbraw/zinc/05/48/56/646054856.db2.gz DZFZCOZCQGBZPE-UHFFFAOYSA-N 1 2 239.388 3.034 20 0 BGADLO CC(C)CC[N@@H+](C)Cc1nc(C(C)C)ns1 ZINC000929294116 646069504 /nfs/dbraw/zinc/06/95/04/646069504.db2.gz UCYZPBBARILYCL-UHFFFAOYSA-N 1 2 241.404 3.139 20 0 BGADLO CC(C)CC[N@H+](C)Cc1nc(C(C)C)ns1 ZINC000929294116 646069499 /nfs/dbraw/zinc/06/94/99/646069499.db2.gz UCYZPBBARILYCL-UHFFFAOYSA-N 1 2 241.404 3.139 20 0 BGADLO CCc1onc(C)c1C[N@@H+](C)Cc1ccoc1C ZINC000929334162 644163335 /nfs/dbraw/zinc/16/33/35/644163335.db2.gz BMJBMCKSIFDDOK-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1onc(C)c1C[N@H+](C)Cc1ccoc1C ZINC000929334162 644163329 /nfs/dbraw/zinc/16/33/29/644163329.db2.gz BMJBMCKSIFDDOK-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1ncc(C[N@@H+](C)[C@@H](C)c2ccco2)o1 ZINC000929370197 644288968 /nfs/dbraw/zinc/28/89/68/644288968.db2.gz NLHAOOSSSLHWFJ-JTQLQIEISA-N 1 2 234.299 3.023 20 0 BGADLO CCc1ncc(C[N@H+](C)[C@@H](C)c2ccco2)o1 ZINC000929370197 644288964 /nfs/dbraw/zinc/28/89/64/644288964.db2.gz NLHAOOSSSLHWFJ-JTQLQIEISA-N 1 2 234.299 3.023 20 0 BGADLO CCc1ncc(C[N@@H+](C)[C@H](C)c2ccco2)o1 ZINC000929370199 644289117 /nfs/dbraw/zinc/28/91/17/644289117.db2.gz NLHAOOSSSLHWFJ-SNVBAGLBSA-N 1 2 234.299 3.023 20 0 BGADLO CCc1ncc(C[N@H+](C)[C@H](C)c2ccco2)o1 ZINC000929370199 644289110 /nfs/dbraw/zinc/28/91/10/644289110.db2.gz NLHAOOSSSLHWFJ-SNVBAGLBSA-N 1 2 234.299 3.023 20 0 BGADLO CCCN(Cc1cc(C)cc(C)[nH+]1)CC(F)F ZINC000929466628 646131229 /nfs/dbraw/zinc/13/12/29/646131229.db2.gz STNOMGXXWRLKBB-UHFFFAOYSA-N 1 2 242.313 3.176 20 0 BGADLO CC(C)c1nsc(C[N@@H+](C)CC(C)(C)C)n1 ZINC000929484542 646139296 /nfs/dbraw/zinc/13/92/96/646139296.db2.gz RQMXRVLOLWRDLL-UHFFFAOYSA-N 1 2 241.404 3.139 20 0 BGADLO CC(C)c1nsc(C[N@H+](C)CC(C)(C)C)n1 ZINC000929484542 646139288 /nfs/dbraw/zinc/13/92/88/646139288.db2.gz RQMXRVLOLWRDLL-UHFFFAOYSA-N 1 2 241.404 3.139 20 0 BGADLO Cc1ccc(C[N@H+](C)[C@H](C)c2ncccn2)s1 ZINC000929501602 646154944 /nfs/dbraw/zinc/15/49/44/646154944.db2.gz VPDOEJQLUDXDJL-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc(C[N@@H+](C)[C@H](C)c2ncccn2)s1 ZINC000929501602 646154943 /nfs/dbraw/zinc/15/49/43/646154943.db2.gz VPDOEJQLUDXDJL-LLVKDONJSA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc(C[N@H+](C)[C@@H](C)c2ncccn2)s1 ZINC000929501603 646153692 /nfs/dbraw/zinc/15/36/92/646153692.db2.gz VPDOEJQLUDXDJL-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ncccn2)s1 ZINC000929501603 646153688 /nfs/dbraw/zinc/15/36/88/646153688.db2.gz VPDOEJQLUDXDJL-NSHDSACASA-N 1 2 247.367 3.040 20 0 BGADLO CCC[N@@H+](Cc1nc(C(C)C)ns1)C1CC1 ZINC000929517427 646168168 /nfs/dbraw/zinc/16/81/68/646168168.db2.gz VCCKVZUZVHMLQP-UHFFFAOYSA-N 1 2 239.388 3.036 20 0 BGADLO CCC[N@H+](Cc1nc(C(C)C)ns1)C1CC1 ZINC000929517427 646168164 /nfs/dbraw/zinc/16/81/64/646168164.db2.gz VCCKVZUZVHMLQP-UHFFFAOYSA-N 1 2 239.388 3.036 20 0 BGADLO CCc1onc(C)c1C[NH+]1Cc2ccccc2C1 ZINC000929583115 646184317 /nfs/dbraw/zinc/18/43/17/646184317.db2.gz GSQMULIHWVNTPN-UHFFFAOYSA-N 1 2 242.322 3.061 20 0 BGADLO C[C@H](c1ccc(F)nc1)[NH+]1Cc2ccccc2C1 ZINC000929583749 646185561 /nfs/dbraw/zinc/18/55/61/646185561.db2.gz NBAKHACTFXVJIR-LLVKDONJSA-N 1 2 242.297 3.298 20 0 BGADLO C[C@@H](c1ccc(F)nc1)[NH+]1Cc2ccccc2C1 ZINC000929583750 646185446 /nfs/dbraw/zinc/18/54/46/646185446.db2.gz NBAKHACTFXVJIR-NSHDSACASA-N 1 2 242.297 3.298 20 0 BGADLO CC(F)(F)CCC[N@@H+](CC(F)F)C1CC1 ZINC000929596643 646190709 /nfs/dbraw/zinc/19/07/09/646190709.db2.gz CLIFKMHOAGUUAL-UHFFFAOYSA-N 1 2 227.245 3.151 20 0 BGADLO CC(F)(F)CCC[N@H+](CC(F)F)C1CC1 ZINC000929596643 646190705 /nfs/dbraw/zinc/19/07/05/646190705.db2.gz CLIFKMHOAGUUAL-UHFFFAOYSA-N 1 2 227.245 3.151 20 0 BGADLO CCN(Cc1cc(C)cc(C)[nH+]1)CC(F)(F)F ZINC000929627177 646209518 /nfs/dbraw/zinc/20/95/18/646209518.db2.gz UITYHEZYGAJLQB-UHFFFAOYSA-N 1 2 246.276 3.083 20 0 BGADLO CC[N@@H+](Cc1nc(C(C)C)ns1)C1CCC1 ZINC000929678930 646236513 /nfs/dbraw/zinc/23/65/13/646236513.db2.gz DENHDLNAHJOYEK-UHFFFAOYSA-N 1 2 239.388 3.036 20 0 BGADLO CC[N@H+](Cc1nc(C(C)C)ns1)C1CCC1 ZINC000929678930 646236507 /nfs/dbraw/zinc/23/65/07/646236507.db2.gz DENHDLNAHJOYEK-UHFFFAOYSA-N 1 2 239.388 3.036 20 0 BGADLO CCc1ncc(C[N@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000929767275 646296218 /nfs/dbraw/zinc/29/62/18/646296218.db2.gz SKIFJELBWFBJNW-LLVKDONJSA-N 1 2 242.322 3.314 20 0 BGADLO CCc1ncc(C[N@@H+]2Cc3ccccc3[C@H]2C)o1 ZINC000929767275 646296213 /nfs/dbraw/zinc/29/62/13/646296213.db2.gz SKIFJELBWFBJNW-LLVKDONJSA-N 1 2 242.322 3.314 20 0 BGADLO CCc1ncc(C[N@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000929767276 646297009 /nfs/dbraw/zinc/29/70/09/646297009.db2.gz SKIFJELBWFBJNW-NSHDSACASA-N 1 2 242.322 3.314 20 0 BGADLO CCc1ncc(C[N@@H+]2Cc3ccccc3[C@@H]2C)o1 ZINC000929767276 646297005 /nfs/dbraw/zinc/29/70/05/646297005.db2.gz SKIFJELBWFBJNW-NSHDSACASA-N 1 2 242.322 3.314 20 0 BGADLO Cc1cc(C)[nH+]c(CN(CC(F)F)C(C)C)c1 ZINC000929852313 641777871 /nfs/dbraw/zinc/77/78/71/641777871.db2.gz COVBYDPMLQMBNM-UHFFFAOYSA-N 1 2 242.313 3.174 20 0 BGADLO c1cn(C[C@H]2CCC3(CCCCCC3)O2)c[nH+]1 ZINC000929865552 646365924 /nfs/dbraw/zinc/36/59/24/646365924.db2.gz GVRDHDNOVKOMNZ-CYBMUJFWSA-N 1 2 234.343 3.155 20 0 BGADLO c1cn(C[C@@H]2CCC3(CCCCCC3)O2)c[nH+]1 ZINC000929865553 646366525 /nfs/dbraw/zinc/36/65/25/646366525.db2.gz GVRDHDNOVKOMNZ-ZDUSSCGKSA-N 1 2 234.343 3.155 20 0 BGADLO CC1=CC[N@@H+](Cc2coc(C(C)(C)C)n2)CC1 ZINC000930096425 646433847 /nfs/dbraw/zinc/43/38/47/646433847.db2.gz ZDQGMOLULYNUEY-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC1=CC[N@H+](Cc2coc(C(C)(C)C)n2)CC1 ZINC000930096425 646433846 /nfs/dbraw/zinc/43/38/46/646433846.db2.gz ZDQGMOLULYNUEY-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC(F)(F)CCC[N@H+]1CCC[C@H]1C(F)F ZINC000930128927 646451211 /nfs/dbraw/zinc/45/12/11/646451211.db2.gz IVKXXPONYDPPAV-QMMMGPOBSA-N 1 2 227.245 3.151 20 0 BGADLO CC(F)(F)CCC[N@@H+]1CCC[C@H]1C(F)F ZINC000930128927 646451205 /nfs/dbraw/zinc/45/12/05/646451205.db2.gz IVKXXPONYDPPAV-QMMMGPOBSA-N 1 2 227.245 3.151 20 0 BGADLO COc1cccc(C[N@H+]2CCC=C(F)C2)c1C ZINC000930172661 645761812 /nfs/dbraw/zinc/76/18/12/645761812.db2.gz FJSNCEVNCZBKHL-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO COc1cccc(C[N@@H+]2CCC=C(F)C2)c1C ZINC000930172661 645761809 /nfs/dbraw/zinc/76/18/09/645761809.db2.gz FJSNCEVNCZBKHL-UHFFFAOYSA-N 1 2 235.302 3.063 20 0 BGADLO FCc1ccccc1C[N@H+]1CCC=C(F)C1 ZINC000930176795 646480175 /nfs/dbraw/zinc/48/01/75/646480175.db2.gz ZUZUSCTUUFEZJT-UHFFFAOYSA-N 1 2 223.266 3.215 20 0 BGADLO FCc1ccccc1C[N@@H+]1CCC=C(F)C1 ZINC000930176795 646480173 /nfs/dbraw/zinc/48/01/73/646480173.db2.gz ZUZUSCTUUFEZJT-UHFFFAOYSA-N 1 2 223.266 3.215 20 0 BGADLO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nncs2)c1 ZINC000930216334 639637504 /nfs/dbraw/zinc/63/75/04/639637504.db2.gz DYOOQNHOSUAKNL-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cc(C)cc([C@H](C)[NH2+]Cc2nncs2)c1 ZINC000930216335 639636942 /nfs/dbraw/zinc/63/69/42/639636942.db2.gz DYOOQNHOSUAKNL-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cccc([C@@H](C)[NH2+]Cc2nncs2)c1C ZINC000930224524 639643247 /nfs/dbraw/zinc/64/32/47/639643247.db2.gz LBMWHYOEXDHTMZ-LLVKDONJSA-N 1 2 247.367 3.006 20 0 BGADLO Cc1cccc([C@H](C)[NH2+]Cc2nncs2)c1C ZINC000930224525 639642789 /nfs/dbraw/zinc/64/27/89/639642789.db2.gz LBMWHYOEXDHTMZ-NSHDSACASA-N 1 2 247.367 3.006 20 0 BGADLO CC1=CCC[N@@H+](Cc2coc(C(C)(C)C)n2)C1 ZINC000930307495 639692986 /nfs/dbraw/zinc/69/29/86/639692986.db2.gz ULPCGEYEUPQWLJ-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CC1=CCC[N@H+](Cc2coc(C(C)(C)C)n2)C1 ZINC000930307495 639692982 /nfs/dbraw/zinc/69/29/82/639692982.db2.gz ULPCGEYEUPQWLJ-UHFFFAOYSA-N 1 2 234.343 3.124 20 0 BGADLO CCc1onc(C)c1C[N@@H+](C)Cc1occc1C ZINC000930553212 639810449 /nfs/dbraw/zinc/81/04/49/639810449.db2.gz AJYWMOKHKSARJN-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO CCc1onc(C)c1C[N@H+](C)Cc1occc1C ZINC000930553212 639810448 /nfs/dbraw/zinc/81/04/48/639810448.db2.gz AJYWMOKHKSARJN-UHFFFAOYSA-N 1 2 248.326 3.079 20 0 BGADLO C[C@@H](c1ccc(F)nc1)[N@H+]1CCC[C@](C)(F)C1 ZINC000930593466 639815351 /nfs/dbraw/zinc/81/53/51/639815351.db2.gz BIFSEHBWNCJZIG-GWCFXTLKSA-N 1 2 240.297 3.106 20 0 BGADLO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000930593466 639815350 /nfs/dbraw/zinc/81/53/50/639815350.db2.gz BIFSEHBWNCJZIG-GWCFXTLKSA-N 1 2 240.297 3.106 20 0 BGADLO C[C@@H](c1ccc(F)nc1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000930593468 639815443 /nfs/dbraw/zinc/81/54/43/639815443.db2.gz BIFSEHBWNCJZIG-GXFFZTMASA-N 1 2 240.297 3.106 20 0 BGADLO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000930593468 639815442 /nfs/dbraw/zinc/81/54/42/639815442.db2.gz BIFSEHBWNCJZIG-GXFFZTMASA-N 1 2 240.297 3.106 20 0 BGADLO C[C@H](c1ccc(F)nc1)[N@H+]1CCC[C@](C)(F)C1 ZINC000930593469 639815272 /nfs/dbraw/zinc/81/52/72/639815272.db2.gz BIFSEHBWNCJZIG-MFKMUULPSA-N 1 2 240.297 3.106 20 0 BGADLO C[C@H](c1ccc(F)nc1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000930593469 639815271 /nfs/dbraw/zinc/81/52/71/639815271.db2.gz BIFSEHBWNCJZIG-MFKMUULPSA-N 1 2 240.297 3.106 20 0 BGADLO C[C@H](c1ccc(F)nc1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000930593664 639815141 /nfs/dbraw/zinc/81/51/41/639815141.db2.gz BIFSEHBWNCJZIG-ZWNOBZJWSA-N 1 2 240.297 3.106 20 0 BGADLO C[C@H](c1ccc(F)nc1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000930593664 639815140 /nfs/dbraw/zinc/81/51/40/639815140.db2.gz BIFSEHBWNCJZIG-ZWNOBZJWSA-N 1 2 240.297 3.106 20 0 BGADLO Cc1cc(C)nc(C[N@H+]2CCC=C(Cl)C2)c1 ZINC000930843567 639940625 /nfs/dbraw/zinc/94/06/25/639940625.db2.gz XRMJHOLOXOPGCB-UHFFFAOYSA-N 1 2 236.746 3.027 20 0 BGADLO Cc1cc(C)nc(C[N@@H+]2CCC=C(Cl)C2)c1 ZINC000930843567 639940620 /nfs/dbraw/zinc/94/06/20/639940620.db2.gz XRMJHOLOXOPGCB-UHFFFAOYSA-N 1 2 236.746 3.027 20 0 BGADLO Cc1ncc(C[N@H+]2CC[C@H]2c2ccc(F)cc2)o1 ZINC000930968380 640004784 /nfs/dbraw/zinc/00/47/84/640004784.db2.gz AURLYZWSPUKANR-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1ncc(C[N@@H+]2CC[C@H]2c2ccc(F)cc2)o1 ZINC000930968380 640004780 /nfs/dbraw/zinc/00/47/80/640004780.db2.gz AURLYZWSPUKANR-AWEZNQCLSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1ncc(C[N@H+]2CC[C@@H]2c2ccc(F)cc2)o1 ZINC000930968381 640003538 /nfs/dbraw/zinc/00/35/38/640003538.db2.gz AURLYZWSPUKANR-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO Cc1ncc(C[N@@H+]2CC[C@@H]2c2ccc(F)cc2)o1 ZINC000930968381 640003535 /nfs/dbraw/zinc/00/35/35/640003535.db2.gz AURLYZWSPUKANR-CQSZACIVSA-N 1 2 246.285 3.069 20 0 BGADLO CCC(CC)CCC[N@@H+](C)Cc1nncs1 ZINC000931059533 640047158 /nfs/dbraw/zinc/04/71/58/640047158.db2.gz LLEFCHPUUYHEKC-UHFFFAOYSA-N 1 2 241.404 3.186 20 0 BGADLO CCC(CC)CCC[N@H+](C)Cc1nncs1 ZINC000931059533 640047150 /nfs/dbraw/zinc/04/71/50/640047150.db2.gz LLEFCHPUUYHEKC-UHFFFAOYSA-N 1 2 241.404 3.186 20 0 BGADLO CC(C)(C)c1nc(C[NH+](C2CC2)C2CC2)co1 ZINC000931179903 640092347 /nfs/dbraw/zinc/09/23/47/640092347.db2.gz YNGGMNJXLRASLR-UHFFFAOYSA-N 1 2 234.343 3.099 20 0 BGADLO C[C@H](c1cccc(F)c1)[N@H+]1CCn2cccc2C1 ZINC000932529145 640570535 /nfs/dbraw/zinc/57/05/35/640570535.db2.gz HNJGFHTYMRHJIZ-GFCCVEGCSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@H](c1cccc(F)c1)[N@@H+]1CCn2cccc2C1 ZINC000932529145 640570527 /nfs/dbraw/zinc/57/05/27/640570527.db2.gz HNJGFHTYMRHJIZ-GFCCVEGCSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@@H](c1cccc(F)c1)[N@H+]1CCn2cccc2C1 ZINC000932529146 640571066 /nfs/dbraw/zinc/57/10/66/640571066.db2.gz HNJGFHTYMRHJIZ-LBPRGKRZSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@@H](c1cccc(F)c1)[N@@H+]1CCn2cccc2C1 ZINC000932529146 640571064 /nfs/dbraw/zinc/57/10/64/640571064.db2.gz HNJGFHTYMRHJIZ-LBPRGKRZSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@H+]1CCn2cccc2C1 ZINC000932530403 640570709 /nfs/dbraw/zinc/57/07/09/640570709.db2.gz FWDMZSBIALMAJV-GFCCVEGCSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@H](c1ccc(F)cc1)[N@@H+]1CCn2cccc2C1 ZINC000932530403 640570701 /nfs/dbraw/zinc/57/07/01/640570701.db2.gz FWDMZSBIALMAJV-GFCCVEGCSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@H+]1CCn2cccc2C1 ZINC000932530405 640569379 /nfs/dbraw/zinc/56/93/79/640569379.db2.gz FWDMZSBIALMAJV-LBPRGKRZSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCn2cccc2C1 ZINC000932530405 640569373 /nfs/dbraw/zinc/56/93/73/640569373.db2.gz FWDMZSBIALMAJV-LBPRGKRZSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@H](c1ccccc1F)[N@H+]1CCn2cccc2C1 ZINC000932531797 640572578 /nfs/dbraw/zinc/57/25/78/640572578.db2.gz STVXQSBEJHOFQM-GFCCVEGCSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@H](c1ccccc1F)[N@@H+]1CCn2cccc2C1 ZINC000932531797 640572576 /nfs/dbraw/zinc/57/25/76/640572576.db2.gz STVXQSBEJHOFQM-GFCCVEGCSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@@H](c1ccccc1F)[N@H+]1CCn2cccc2C1 ZINC000932531799 640572333 /nfs/dbraw/zinc/57/23/33/640572333.db2.gz STVXQSBEJHOFQM-LBPRGKRZSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@@H](c1ccccc1F)[N@@H+]1CCn2cccc2C1 ZINC000932531799 640572326 /nfs/dbraw/zinc/57/23/26/640572326.db2.gz STVXQSBEJHOFQM-LBPRGKRZSA-N 1 2 244.313 3.204 20 0 BGADLO C[C@@H]1C(=O)CCC[N@@H+]1CC/C=C/c1ccccc1 ZINC000932848114 640620701 /nfs/dbraw/zinc/62/07/01/640620701.db2.gz GHALOCPHNQYLDF-AZWQULSGSA-N 1 2 243.350 3.143 20 0 BGADLO C[C@@H]1C(=O)CCC[N@H+]1CC/C=C/c1ccccc1 ZINC000932848114 640620699 /nfs/dbraw/zinc/62/06/99/640620699.db2.gz GHALOCPHNQYLDF-AZWQULSGSA-N 1 2 243.350 3.143 20 0 BGADLO C[C@H]1C(=O)CCC[N@@H+]1CC/C=C\c1ccccc1 ZINC000932848115 640621479 /nfs/dbraw/zinc/62/14/79/640621479.db2.gz GHALOCPHNQYLDF-MFNCVGGLSA-N 1 2 243.350 3.143 20 0 BGADLO C[C@H]1C(=O)CCC[N@H+]1CC/C=C\c1ccccc1 ZINC000932848115 640621473 /nfs/dbraw/zinc/62/14/73/640621473.db2.gz GHALOCPHNQYLDF-MFNCVGGLSA-N 1 2 243.350 3.143 20 0 BGADLO C[C@H]1C(=O)CCC[N@@H+]1CC/C=C/c1ccccc1 ZINC000932848116 640621818 /nfs/dbraw/zinc/62/18/18/640621818.db2.gz GHALOCPHNQYLDF-SEIPJRMCSA-N 1 2 243.350 3.143 20 0 BGADLO C[C@H]1C(=O)CCC[N@H+]1CC/C=C/c1ccccc1 ZINC000932848116 640621815 /nfs/dbraw/zinc/62/18/15/640621815.db2.gz GHALOCPHNQYLDF-SEIPJRMCSA-N 1 2 243.350 3.143 20 0 BGADLO C[C@@H]1C(=O)CCC[N@@H+]1CC/C=C\c1ccccc1 ZINC000932848117 640620940 /nfs/dbraw/zinc/62/09/40/640620940.db2.gz GHALOCPHNQYLDF-XTXQVDMPSA-N 1 2 243.350 3.143 20 0 BGADLO C[C@@H]1C(=O)CCC[N@H+]1CC/C=C\c1ccccc1 ZINC000932848117 640620935 /nfs/dbraw/zinc/62/09/35/640620935.db2.gz GHALOCPHNQYLDF-XTXQVDMPSA-N 1 2 243.350 3.143 20 0 BGADLO Cc1conc1C[N@H+](C)Cc1c(C)cccc1C ZINC000933763566 640765921 /nfs/dbraw/zinc/76/59/21/640765921.db2.gz XSVIZSUSNVDAFI-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1conc1C[N@@H+](C)Cc1c(C)cccc1C ZINC000933763566 640765914 /nfs/dbraw/zinc/76/59/14/640765914.db2.gz XSVIZSUSNVDAFI-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cnc(C[N@H+](C)Cc2c(C)cccc2C)o1 ZINC000933764872 631506830 /nfs/dbraw/zinc/50/68/30/631506830.db2.gz VLBUOGLLFAUTAU-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1cnc(C[N@@H+](C)Cc2c(C)cccc2C)o1 ZINC000933764872 631506825 /nfs/dbraw/zinc/50/68/25/631506825.db2.gz VLBUOGLLFAUTAU-UHFFFAOYSA-N 1 2 244.338 3.232 20 0 BGADLO Cc1ncc(C[N@@H+](Cc2ccoc2)C2CC2)s1 ZINC000934002861 640803780 /nfs/dbraw/zinc/80/37/80/640803780.db2.gz COVKAMFUVLWFQT-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO Cc1ncc(C[N@H+](Cc2ccoc2)C2CC2)s1 ZINC000934002861 640803779 /nfs/dbraw/zinc/80/37/79/640803779.db2.gz COVKAMFUVLWFQT-UHFFFAOYSA-N 1 2 248.351 3.209 20 0 BGADLO Cc1nc(C)c(C[N@@H+](Cc2ccoc2)C2CC2)o1 ZINC000934004300 640803256 /nfs/dbraw/zinc/80/32/56/640803256.db2.gz NGUVSPOEGKIKHJ-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO Cc1nc(C)c(C[N@H+](Cc2ccoc2)C2CC2)o1 ZINC000934004300 640803254 /nfs/dbraw/zinc/80/32/54/640803254.db2.gz NGUVSPOEGKIKHJ-UHFFFAOYSA-N 1 2 246.310 3.049 20 0 BGADLO CCC[C@](C)([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000934179787 641094805 /nfs/dbraw/zinc/09/48/05/641094805.db2.gz HEZUQCPFGKRICP-HNNXBMFYSA-N 1 2 243.354 3.215 20 0 BGADLO CCC[C@@](C)([NH2+]Cc1ccn[nH]1)c1ccccc1 ZINC000934179788 641095254 /nfs/dbraw/zinc/09/52/54/641095254.db2.gz HEZUQCPFGKRICP-OAHLLOKOSA-N 1 2 243.354 3.215 20 0 BGADLO C[C@H]([NH2+]C/C(Cl)=C\Cl)c1cncs1 ZINC000934198262 641100024 /nfs/dbraw/zinc/10/00/24/641100024.db2.gz ROALLHRJKJVTPG-OPRXANKNSA-N 1 2 237.155 3.113 20 0 BGADLO C[C@@H]([NH2+]C/C(Cl)=C/Cl)c1cncs1 ZINC000934198264 641092613 /nfs/dbraw/zinc/09/26/13/641092613.db2.gz ROALLHRJKJVTPG-USZBSYLJSA-N 1 2 237.155 3.113 20 0 BGADLO C[C@H]([NH2+]C/C(Cl)=C/Cl)c1cncs1 ZINC000934198265 641093733 /nfs/dbraw/zinc/09/37/33/641093733.db2.gz ROALLHRJKJVTPG-VLJCEMICSA-N 1 2 237.155 3.113 20 0 BGADLO C[C@@H]([NH2+]C/C(Cl)=C\Cl)c1cncs1 ZINC000934198266 641093317 /nfs/dbraw/zinc/09/33/17/641093317.db2.gz ROALLHRJKJVTPG-XUDNXDRUSA-N 1 2 237.155 3.113 20 0 BGADLO CCCCC1([NH2+]Cc2noc(C3CCC3)n2)CC1 ZINC000934200794 641099661 /nfs/dbraw/zinc/09/96/61/641099661.db2.gz OGKFDAAHHYFPJN-UHFFFAOYSA-N 1 2 249.358 3.150 20 0 BGADLO CCCCC1([NH2+]CC(F)(F)C(F)F)CC1 ZINC000934206863 641103499 /nfs/dbraw/zinc/10/34/99/641103499.db2.gz GLLNEBGBVGZPPT-UHFFFAOYSA-N 1 2 227.245 3.199 20 0 BGADLO CCCCC1([NH2+]Cc2nnsc2Cl)CC1 ZINC000934208183 631734158 /nfs/dbraw/zinc/73/41/58/631734158.db2.gz DORRYZRYWZFPKS-UHFFFAOYSA-N 1 2 245.779 3.004 20 0 BGADLO CCCCC1([NH2+]Cc2noc(C(C)C)n2)CC1 ZINC000934208733 641103030 /nfs/dbraw/zinc/10/30/30/641103030.db2.gz DPCIZZZDTRUWOV-UHFFFAOYSA-N 1 2 237.347 3.005 20 0 BGADLO CCC(F)(F)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934702372 641251529 /nfs/dbraw/zinc/25/15/29/641251529.db2.gz XAEHGSSMKOBKTM-GFCCVEGCSA-N 1 2 240.297 3.168 20 0 BGADLO CCC(F)(F)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934702373 641250485 /nfs/dbraw/zinc/25/04/85/641250485.db2.gz XAEHGSSMKOBKTM-LBPRGKRZSA-N 1 2 240.297 3.168 20 0 BGADLO CCCCC1(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000935018739 641318915 /nfs/dbraw/zinc/31/89/15/641318915.db2.gz ZSGWKHVOZFDOEH-UHFFFAOYSA-N 1 2 246.354 3.029 20 0 BGADLO