smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(F)(F)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000697591630 806599817 /nfs/dbraw/zinc/59/98/17/806599817.db2.gz JSMDDNYECZOJHT-UHFFFAOYSA-N 1 2 259.252 2.256 20 10 CECDLO C[C@@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@@]1(C)O ZINC001140582367 803177633 /nfs/dbraw/zinc/17/76/33/803177633.db2.gz HBWWBBJBUDHFDN-YMTOWFKASA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@@]1(C)O ZINC001140582367 803177638 /nfs/dbraw/zinc/17/76/38/803177638.db2.gz HBWWBBJBUDHFDN-YMTOWFKASA-N 1 2 271.307 2.263 20 10 CECDLO Oc1c(C[NH+]2CC3(CCO3)C2)cccc1OC(F)(F)F ZINC001233761364 807467260 /nfs/dbraw/zinc/46/72/60/807467260.db2.gz SZOIQZAJNYKNNI-UHFFFAOYSA-N 1 2 289.253 2.266 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000698953999 807505766 /nfs/dbraw/zinc/50/57/66/807505766.db2.gz VWUICFJHYPAUAQ-GFCCVEGCSA-N 1 2 275.270 2.464 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000698953999 807505767 /nfs/dbraw/zinc/50/57/67/807505767.db2.gz VWUICFJHYPAUAQ-GFCCVEGCSA-N 1 2 275.270 2.464 20 10 CECDLO CCOC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2F)CCS1 ZINC001137840078 809857331 /nfs/dbraw/zinc/85/73/31/809857331.db2.gz RISXFOWVLWJFKD-CYBMUJFWSA-N 1 2 299.367 2.012 20 10 CECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCS1 ZINC001137840078 809857335 /nfs/dbraw/zinc/85/73/35/809857335.db2.gz RISXFOWVLWJFKD-CYBMUJFWSA-N 1 2 299.367 2.012 20 10 CECDLO C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708159560 809922531 /nfs/dbraw/zinc/92/25/31/809922531.db2.gz ZKGCDSNMELHNDH-ZCFIWIBFSA-N 1 2 294.576 2.279 20 10 CECDLO C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708159548 809922695 /nfs/dbraw/zinc/92/26/95/809922695.db2.gz YTOCZFGWIYBMMQ-LURJTMIESA-N 1 2 294.576 2.279 20 10 CECDLO CC(C)[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000709021842 809939765 /nfs/dbraw/zinc/93/97/65/809939765.db2.gz TVJRZWJXQRSRLM-ZDUSSCGKSA-N 1 2 253.317 2.388 20 10 CECDLO CC(C)[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000709021842 809939770 /nfs/dbraw/zinc/93/97/70/809939770.db2.gz TVJRZWJXQRSRLM-ZDUSSCGKSA-N 1 2 253.317 2.388 20 10 CECDLO O=C(CNc1ccc2[nH]c[nH+]c2c1)c1ccc(O)c(O)c1 ZINC001170322180 812386775 /nfs/dbraw/zinc/38/67/75/812386775.db2.gz GJMXXGVLOUAAHH-UHFFFAOYSA-N 1 2 283.287 2.269 20 10 CECDLO Cc1cc(C[N@@H+]2CC(=O)N[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137853922 815697200 /nfs/dbraw/zinc/69/72/00/815697200.db2.gz AVVPNMBLNUIJLF-CYBMUJFWSA-N 1 2 297.402 2.414 20 10 CECDLO Cc1cc(C[N@H+]2CC(=O)N[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137853922 815697206 /nfs/dbraw/zinc/69/72/06/815697206.db2.gz AVVPNMBLNUIJLF-CYBMUJFWSA-N 1 2 297.402 2.414 20 10 CECDLO COCc1noc2c1C[N@H+](Cc1cccc(F)c1O)CC2 ZINC001138125528 815733215 /nfs/dbraw/zinc/73/32/15/815733215.db2.gz RNZXMDIMIVCDAC-UHFFFAOYSA-N 1 2 292.310 2.224 20 10 CECDLO COCc1noc2c1C[N@@H+](Cc1cccc(F)c1O)CC2 ZINC001138125528 815733221 /nfs/dbraw/zinc/73/32/21/815733221.db2.gz RNZXMDIMIVCDAC-UHFFFAOYSA-N 1 2 292.310 2.224 20 10 CECDLO O=C1CC[N@H+](Cc2cccc(F)c2O)CC[C@H]1F ZINC001138124090 815733702 /nfs/dbraw/zinc/73/37/02/815733702.db2.gz YYRNKMLNDLAJDJ-SNVBAGLBSA-N 1 2 255.264 2.034 20 10 CECDLO O=C1CC[N@@H+](Cc2cccc(F)c2O)CC[C@H]1F ZINC001138124090 815733704 /nfs/dbraw/zinc/73/37/04/815733704.db2.gz YYRNKMLNDLAJDJ-SNVBAGLBSA-N 1 2 255.264 2.034 20 10 CECDLO Oc1cc(Cl)ccc1C[NH+]1CCN(CC(F)F)CC1 ZINC001140465546 816260140 /nfs/dbraw/zinc/26/01/40/816260140.db2.gz NITINNWHAMWCMF-UHFFFAOYSA-N 1 2 290.741 2.428 20 10 CECDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(Cl)cc3O)[C@H]2C1 ZINC001140463086 816261163 /nfs/dbraw/zinc/26/11/63/816261163.db2.gz SBFLZAIFJFICIW-VZJVUDMVSA-N 1 2 297.782 2.017 20 10 CECDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccc(Cl)cc3O)[C@H]2C1 ZINC001140463086 816261169 /nfs/dbraw/zinc/26/11/69/816261169.db2.gz SBFLZAIFJFICIW-VZJVUDMVSA-N 1 2 297.782 2.017 20 10 CECDLO C[C@]1(O)CCC[N@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583050 816291181 /nfs/dbraw/zinc/29/11/81/816291181.db2.gz VAQNTGDTJBNBHM-AWEZNQCLSA-N 1 2 271.307 2.407 20 10 CECDLO C[C@]1(O)CCC[N@@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583050 816291184 /nfs/dbraw/zinc/29/11/84/816291184.db2.gz VAQNTGDTJBNBHM-AWEZNQCLSA-N 1 2 271.307 2.407 20 10 CECDLO C[N@H+](Cc1c(O)cc(F)cc1F)[C@@H]1CCCOC1 ZINC001140585263 816295203 /nfs/dbraw/zinc/29/52/03/816295203.db2.gz BXQQRQOJXJMHQV-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO C[N@@H+](Cc1c(O)cc(F)cc1F)[C@@H]1CCCOC1 ZINC001140585263 816295205 /nfs/dbraw/zinc/29/52/05/816295205.db2.gz BXQQRQOJXJMHQV-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)[C@@H](C)CO1 ZINC001142531425 816682340 /nfs/dbraw/zinc/68/23/40/816682340.db2.gz XDIUQMPKEJYBBX-DTWKUNHWSA-N 1 2 257.280 2.280 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)[C@@H](C)CO1 ZINC001142531425 816682342 /nfs/dbraw/zinc/68/23/42/816682342.db2.gz XDIUQMPKEJYBBX-DTWKUNHWSA-N 1 2 257.280 2.280 20 10 CECDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000180226780 368373377 /nfs/dbraw/zinc/37/33/77/368373377.db2.gz YFSOWALBJXJPGW-SNVBAGLBSA-N 1 2 269.316 2.303 20 10 CECDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180226780 368373380 /nfs/dbraw/zinc/37/33/80/368373380.db2.gz YFSOWALBJXJPGW-SNVBAGLBSA-N 1 2 269.316 2.303 20 10 CECDLO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(F)c(F)c1O ZINC000282175501 296119915 /nfs/dbraw/zinc/11/99/15/296119915.db2.gz FIHPWSODRSFOCV-YLVJLNSGSA-N 1 2 289.347 2.232 20 10 CECDLO CCOC(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000183465963 368628234 /nfs/dbraw/zinc/62/82/34/368628234.db2.gz GXDFTEMCGFNGIH-UHFFFAOYSA-N 1 2 298.770 2.320 20 10 CECDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000365446120 372861714 /nfs/dbraw/zinc/86/17/14/372861714.db2.gz GQVUBLDEHKSZSM-MLCYQJTMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000365446120 372861719 /nfs/dbraw/zinc/86/17/19/372861719.db2.gz GQVUBLDEHKSZSM-MLCYQJTMSA-N 1 2 287.812 2.389 20 10 CECDLO CC[N@@H+](CC(=O)OC)Cc1cc(Cl)cc(C)c1O ZINC000271728747 373201816 /nfs/dbraw/zinc/20/18/16/373201816.db2.gz MKYBSTWFXRASBC-UHFFFAOYSA-N 1 2 271.744 2.349 20 10 CECDLO C[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000294878611 378024734 /nfs/dbraw/zinc/02/47/34/378024734.db2.gz KSGUFZNZCCTTTM-QMMMGPOBSA-N 1 2 259.708 2.405 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000294878611 378024739 /nfs/dbraw/zinc/02/47/39/378024739.db2.gz KSGUFZNZCCTTTM-QMMMGPOBSA-N 1 2 259.708 2.405 20 10 CECDLO CCc1nnc(C[NH2+]Cc2cccc(Cl)c2O)[nH]1 ZINC000295934431 378360731 /nfs/dbraw/zinc/36/07/31/378360731.db2.gz FWPUWJWRSNEYCC-UHFFFAOYSA-N 1 2 266.732 2.016 20 10 CECDLO CCOC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000529666975 380183400 /nfs/dbraw/zinc/18/34/00/380183400.db2.gz PPUIMNOSXXPKIO-LBPRGKRZSA-N 1 2 285.771 2.283 20 10 CECDLO CCOC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000529666975 380183406 /nfs/dbraw/zinc/18/34/06/380183406.db2.gz PPUIMNOSXXPKIO-LBPRGKRZSA-N 1 2 285.771 2.283 20 10 CECDLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000183379412 395255407 /nfs/dbraw/zinc/25/54/07/395255407.db2.gz GOVINMVGHUJOMD-GFCCVEGCSA-N 1 2 296.798 2.394 20 10 CECDLO CCC[C@](C)([NH2+]Cc1cc(F)ccc1O)C(=O)OC ZINC000184046771 262006494 /nfs/dbraw/zinc/00/64/94/262006494.db2.gz QHMDQSWYDRBDFY-AWEZNQCLSA-N 1 2 269.316 2.353 20 10 CECDLO CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000124523467 262553404 /nfs/dbraw/zinc/55/34/04/262553404.db2.gz ADWYDQJZIGLTGO-UHFFFAOYSA-N 1 2 282.771 2.004 20 10 CECDLO CC[C@@H]([NH2+]C[C@H](O)COC)c1cccc(Cl)c1O ZINC000287854333 263102836 /nfs/dbraw/zinc/10/28/36/263102836.db2.gz WYYXHHFUTZBPCL-JOYOIKCWSA-N 1 2 273.760 2.094 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368800346 267206021 /nfs/dbraw/zinc/20/60/21/267206021.db2.gz NLNAAKHSVSYBPO-LLVKDONJSA-N 1 2 253.729 2.002 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368800346 267206022 /nfs/dbraw/zinc/20/60/22/267206022.db2.gz NLNAAKHSVSYBPO-LLVKDONJSA-N 1 2 253.729 2.002 20 10 CECDLO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000378455493 329051259 /nfs/dbraw/zinc/05/12/59/329051259.db2.gz REFQNOTYXDPTPT-XWIASGKRSA-N 1 2 294.782 2.145 20 10 CECDLO OCCCSCC[NH2+]Cc1cccc(Cl)c1O ZINC000224793185 329246384 /nfs/dbraw/zinc/24/63/84/329246384.db2.gz PTZJBJHBLAYFBH-UHFFFAOYSA-N 1 2 275.801 2.251 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CC12CC(C1)CO2 ZINC000529663224 333504454 /nfs/dbraw/zinc/50/44/54/333504454.db2.gz PXUHNSCLZLADJS-UHFFFAOYSA-N 1 2 253.729 2.314 20 10 CECDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000291363686 521994519 /nfs/dbraw/zinc/99/45/19/521994519.db2.gz YQWHPHBFWDIXAG-AWEZNQCLSA-N 1 2 296.386 2.129 20 10 CECDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000291363686 521994525 /nfs/dbraw/zinc/99/45/25/521994525.db2.gz YQWHPHBFWDIXAG-AWEZNQCLSA-N 1 2 296.386 2.129 20 10 CECDLO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000289923270 524743130 /nfs/dbraw/zinc/74/31/30/524743130.db2.gz XORCYFSDLROZPZ-NSHDSACASA-N 1 2 287.306 2.257 20 10 CECDLO COc1ccc(O)c(C[N@H+]2CCOC[C@@H]2CC(F)F)c1 ZINC000289923270 524743138 /nfs/dbraw/zinc/74/31/38/524743138.db2.gz XORCYFSDLROZPZ-NSHDSACASA-N 1 2 287.306 2.257 20 10 CECDLO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(F)c(F)c1O ZINC000276877348 525313050 /nfs/dbraw/zinc/31/30/50/525313050.db2.gz FPTRWMOEZXSFAK-VIFPVBQESA-N 1 2 298.333 2.367 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ncnn1C ZINC000276642051 525531801 /nfs/dbraw/zinc/53/18/01/525531801.db2.gz OWOAHINPMHRDGC-IUCAKERBSA-N 1 2 264.304 2.072 20 10 CECDLO CC(C)C(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000728299737 574463902 /nfs/dbraw/zinc/46/39/02/574463902.db2.gz MLFCGKBNGUOUHR-UHFFFAOYSA-N 1 2 296.798 2.346 20 10 CECDLO COc1c(C)c[nH+]c(CNC(=O)C2=CC(=O)CS2)c1C ZINC000731872755 574604722 /nfs/dbraw/zinc/60/47/22/574604722.db2.gz QBBNSXUJUUKZBC-UHFFFAOYSA-N 1 2 292.360 2.404 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000732285672 574618026 /nfs/dbraw/zinc/61/80/26/574618026.db2.gz FKQPLHUQNMQGIK-JTQLQIEISA-N 1 2 277.349 2.128 20 10 CECDLO CCOc1ccc([N@H+](C)CCCN2CCOC2=O)cc1 ZINC000739924434 574936559 /nfs/dbraw/zinc/93/65/59/574936559.db2.gz SDMHHCHDLCSKEX-UHFFFAOYSA-N 1 2 278.352 2.364 20 10 CECDLO CCOc1ccc([N@@H+](C)CCCN2CCOC2=O)cc1 ZINC000739924434 574936560 /nfs/dbraw/zinc/93/65/60/574936560.db2.gz SDMHHCHDLCSKEX-UHFFFAOYSA-N 1 2 278.352 2.364 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3cnc(C)cn3)CC2)cc1 ZINC000749436503 575219648 /nfs/dbraw/zinc/21/96/48/575219648.db2.gz KZZUXZBBLYDZAZ-UHFFFAOYSA-N 1 2 298.390 2.116 20 10 CECDLO C[N@H+](CC(=O)NC(C)(C)C)Cc1cc(F)cc(F)c1O ZINC000893910829 629042350 /nfs/dbraw/zinc/04/23/50/629042350.db2.gz NSBMDZNVYSYGJH-UHFFFAOYSA-N 1 2 286.322 2.017 20 10 CECDLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cc(F)cc(F)c1O ZINC000893910829 629042354 /nfs/dbraw/zinc/04/23/54/629042354.db2.gz NSBMDZNVYSYGJH-UHFFFAOYSA-N 1 2 286.322 2.017 20 10 CECDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)[nH]1 ZINC000894774884 629629368 /nfs/dbraw/zinc/62/93/68/629629368.db2.gz YXLDNJPQNUPBMC-ZCFIWIBFSA-N 1 2 284.722 2.462 20 10 CECDLO Cc1nnc([C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C2)[nH]1 ZINC000895013231 629795488 /nfs/dbraw/zinc/79/54/88/629795488.db2.gz YUUNRFZGDVGGCU-SECBINFHSA-N 1 2 294.305 2.086 20 10 CECDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)[nH]1 ZINC000895013231 629795490 /nfs/dbraw/zinc/79/54/90/629795490.db2.gz YUUNRFZGDVGGCU-SECBINFHSA-N 1 2 294.305 2.086 20 10 CECDLO Cc1nc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)n[nH]1 ZINC000895007515 629800020 /nfs/dbraw/zinc/80/00/20/629800020.db2.gz JTALZXLTVCZJIB-SNVBAGLBSA-N 1 2 292.770 2.462 20 10 CECDLO Cc1nc([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)n[nH]1 ZINC000895007515 629800022 /nfs/dbraw/zinc/80/00/22/629800022.db2.gz JTALZXLTVCZJIB-SNVBAGLBSA-N 1 2 292.770 2.462 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895776628 630341093 /nfs/dbraw/zinc/34/10/93/630341093.db2.gz IXAWMUSQCNUGRP-AOOOYVTPSA-N 1 2 271.332 2.465 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895776628 630341095 /nfs/dbraw/zinc/34/10/95/630341095.db2.gz IXAWMUSQCNUGRP-AOOOYVTPSA-N 1 2 271.332 2.465 20 10 CECDLO Cn1c(Cl)cnc1C[NH2+]Cc1c(O)cccc1F ZINC000896638898 630622004 /nfs/dbraw/zinc/62/20/04/630622004.db2.gz RUWWWBMBWFOTDE-UHFFFAOYSA-N 1 2 269.707 2.208 20 10 CECDLO Cn1cnc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000898043130 632034840 /nfs/dbraw/zinc/03/48/40/632034840.db2.gz FVMWCQHCNKNNRS-UHFFFAOYSA-N 1 2 269.707 2.208 20 10 CECDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cnn(C)n2)cc1 ZINC000809932939 632157876 /nfs/dbraw/zinc/15/78/76/632157876.db2.gz KIUKVKYZVOAKAM-UHFFFAOYSA-N 1 2 287.411 2.293 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cnn(C)n2)cc1 ZINC000809932939 632157880 /nfs/dbraw/zinc/15/78/80/632157880.db2.gz KIUKVKYZVOAKAM-UHFFFAOYSA-N 1 2 287.411 2.293 20 10 CECDLO Cc1cc(C[N@@H+]2CC[S@](=O)CC2(C)C)ccc1N(C)C ZINC000815098627 632958880 /nfs/dbraw/zinc/95/88/80/632958880.db2.gz KPZNPLIPPYAZKM-FQEVSTJZSA-N 1 2 294.464 2.404 20 10 CECDLO Cc1cc(C[N@H+]2CC[S@](=O)CC2(C)C)ccc1N(C)C ZINC000815098627 632958884 /nfs/dbraw/zinc/95/88/84/632958884.db2.gz KPZNPLIPPYAZKM-FQEVSTJZSA-N 1 2 294.464 2.404 20 10 CECDLO COC[C@@H]1CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000816636812 633454002 /nfs/dbraw/zinc/45/40/02/633454002.db2.gz ITQFIWVDYZGJKN-QMMMGPOBSA-N 1 2 259.708 2.405 20 10 CECDLO COC[C@@H]1CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000816636812 633454007 /nfs/dbraw/zinc/45/40/07/633454007.db2.gz ITQFIWVDYZGJKN-QMMMGPOBSA-N 1 2 259.708 2.405 20 10 CECDLO Cc1cc(CNC(=O)c2ccc(C)c(O)c2O)cc(C)[nH+]1 ZINC000817619199 633708043 /nfs/dbraw/zinc/70/80/43/633708043.db2.gz NXQKHHKWLSUHJQ-UHFFFAOYSA-N 1 2 286.331 2.348 20 10 CECDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2O)n1 ZINC000818347427 633915373 /nfs/dbraw/zinc/91/53/73/633915373.db2.gz ZQKKYORZLQYPEX-VIFPVBQESA-N 1 2 278.331 2.302 20 10 CECDLO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cc(F)cc(F)c1O ZINC000903395074 635091207 /nfs/dbraw/zinc/09/12/07/635091207.db2.gz JFYUCULZKFNJLM-RGNHYFCHSA-N 1 2 257.280 2.356 20 10 CECDLO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000825129690 635574881 /nfs/dbraw/zinc/57/48/81/635574881.db2.gz ATCAKFWQASLBTA-ZWNOBZJWSA-N 1 2 285.771 2.017 20 10 CECDLO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000825129690 635574885 /nfs/dbraw/zinc/57/48/85/635574885.db2.gz ATCAKFWQASLBTA-ZWNOBZJWSA-N 1 2 285.771 2.017 20 10 CECDLO COC[C@@H](CC[NH2+]Cc1cc(Cl)cc(F)c1O)OC ZINC000826840827 635858169 /nfs/dbraw/zinc/85/81/69/635858169.db2.gz ZMVCJIPALWKUKV-LLVKDONJSA-N 1 2 291.750 2.326 20 10 CECDLO Cc1cc(C)c(C(=O)NCc2ccc(O)c(O)c2)c(C)[nH+]1 ZINC000907059522 636930873 /nfs/dbraw/zinc/93/08/73/636930873.db2.gz JHMWLVCIPYBAIW-UHFFFAOYSA-N 1 2 286.331 2.348 20 10 CECDLO CCOC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876525363 650303892 /nfs/dbraw/zinc/30/38/92/650303892.db2.gz CRRCQRLJRQTRMU-UHFFFAOYSA-N 1 2 299.317 2.446 20 10 CECDLO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)c(O)c1 ZINC000876662673 650385804 /nfs/dbraw/zinc/38/58/04/650385804.db2.gz QDCXBPNLKXBXKG-LBPRGKRZSA-N 1 2 259.309 2.421 20 10 CECDLO Cc1ccc(C[N@H+]2CCC[C@H]2c2ncon2)c(O)c1 ZINC000876662673 650385805 /nfs/dbraw/zinc/38/58/05/650385805.db2.gz QDCXBPNLKXBXKG-LBPRGKRZSA-N 1 2 259.309 2.421 20 10 CECDLO CC[N@H+](CC(=O)N(C)C)Cc1c(O)cc(C)cc1Cl ZINC000840911257 639579213 /nfs/dbraw/zinc/57/92/13/639579213.db2.gz ZDFCPAZAXXOLEY-UHFFFAOYSA-N 1 2 284.787 2.264 20 10 CECDLO CC[N@@H+](CC(=O)N(C)C)Cc1c(O)cc(C)cc1Cl ZINC000840911257 639579220 /nfs/dbraw/zinc/57/92/20/639579220.db2.gz ZDFCPAZAXXOLEY-UHFFFAOYSA-N 1 2 284.787 2.264 20 10 CECDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1c(O)cc(C)cc1Cl ZINC000840917343 639585785 /nfs/dbraw/zinc/58/57/85/639585785.db2.gz SQGBMYVRAZQRLI-CYBMUJFWSA-N 1 2 296.798 2.455 20 10 CECDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC000840917343 639585788 /nfs/dbraw/zinc/58/57/88/639585788.db2.gz SQGBMYVRAZQRLI-CYBMUJFWSA-N 1 2 296.798 2.455 20 10 CECDLO Cc1nonc1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840948942 639597848 /nfs/dbraw/zinc/59/78/48/639597848.db2.gz MZPMDXDHWYCKHO-UHFFFAOYSA-N 1 2 267.716 2.335 20 10 CECDLO CCC[NH2+]CC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841046403 639631130 /nfs/dbraw/zinc/63/11/30/639631130.db2.gz DUKWVROJRVIAPM-UHFFFAOYSA-N 1 2 287.747 2.043 20 10 CECDLO CCC[N@H+](Cc1cccc(F)c1O)[C@@H]1CCN(C)C1 ZINC000843422409 640423315 /nfs/dbraw/zinc/42/33/15/640423315.db2.gz NLGULBHGDRGDCF-CYBMUJFWSA-N 1 2 266.360 2.447 20 10 CECDLO CCC[N@@H+](Cc1cccc(F)c1O)[C@@H]1CCN(C)C1 ZINC000843422409 640423319 /nfs/dbraw/zinc/42/33/19/640423319.db2.gz NLGULBHGDRGDCF-CYBMUJFWSA-N 1 2 266.360 2.447 20 10 CECDLO C[N@H+](CCN1CCCCC1)Cc1cc(F)ccc1O ZINC000846115246 641189377 /nfs/dbraw/zinc/18/93/77/641189377.db2.gz SSESIVSEWUHKMN-UHFFFAOYSA-N 1 2 266.360 2.449 20 10 CECDLO C[N@@H+](CCN1CCCCC1)Cc1cc(F)ccc1O ZINC000846115246 641189378 /nfs/dbraw/zinc/18/93/78/641189378.db2.gz SSESIVSEWUHKMN-UHFFFAOYSA-N 1 2 266.360 2.449 20 10 CECDLO Cc1noc([C@@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000848925478 642196832 /nfs/dbraw/zinc/19/68/32/642196832.db2.gz DXQKZFWMVFEMDR-MRVPVSSYSA-N 1 2 291.307 2.005 20 10 CECDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000848925478 642196834 /nfs/dbraw/zinc/19/68/34/642196834.db2.gz DXQKZFWMVFEMDR-MRVPVSSYSA-N 1 2 291.307 2.005 20 10 CECDLO O=C(NCCCNc1cccc[nH+]1)C1=CC(=O)CS1 ZINC000736680820 642235927 /nfs/dbraw/zinc/23/59/27/642235927.db2.gz WMISIRLGBQKVNR-UHFFFAOYSA-N 1 2 277.349 2.081 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)C1(CO)CC1 ZINC000850513637 642735963 /nfs/dbraw/zinc/73/59/63/642735963.db2.gz AHKCJEYYLXZVQG-DTWKUNHWSA-N 1 2 271.307 2.482 20 10 CECDLO COc1cccc(C[N@@H+]2Cc3cccc(O)c3C2)n1 ZINC000877702811 650859288 /nfs/dbraw/zinc/85/92/88/650859288.db2.gz ILINKUPAJZFEAJ-UHFFFAOYSA-N 1 2 256.305 2.312 20 10 CECDLO COc1cccc(C[N@H+]2Cc3cccc(O)c3C2)n1 ZINC000877702811 650859291 /nfs/dbraw/zinc/85/92/91/650859291.db2.gz ILINKUPAJZFEAJ-UHFFFAOYSA-N 1 2 256.305 2.312 20 10 CECDLO Cn1cc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)nn1 ZINC000853568414 643815154 /nfs/dbraw/zinc/81/51/54/643815154.db2.gz UVRUDYUDAQTPPE-UHFFFAOYSA-N 1 2 286.379 2.032 20 10 CECDLO Cn1cc(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)nn1 ZINC000853568414 643815157 /nfs/dbraw/zinc/81/51/57/643815157.db2.gz UVRUDYUDAQTPPE-UHFFFAOYSA-N 1 2 286.379 2.032 20 10 CECDLO COCCOC1C[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000838986937 644111744 /nfs/dbraw/zinc/11/17/44/644111744.db2.gz LWKWXLSOUINVSB-SNAWJCMRSA-N 1 2 290.407 2.113 20 10 CECDLO C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000756461836 644651413 /nfs/dbraw/zinc/65/14/13/644651413.db2.gz WGJDNMUFGHIZAG-DTWKUNHWSA-N 1 2 257.280 2.358 20 10 CECDLO CC[C@H](O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756657204 644680157 /nfs/dbraw/zinc/68/01/57/644680157.db2.gz BGPXOWIDUJLTRN-WPRPVWTQSA-N 1 2 259.296 2.482 20 10 CECDLO CN(C)c1cc(F)c(C[NH2+]Cc2ccno2)cc1F ZINC000862324939 646399523 /nfs/dbraw/zinc/39/95/23/646399523.db2.gz ZBOMRXGBTUNJIU-UHFFFAOYSA-N 1 2 267.279 2.309 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000862528038 646483607 /nfs/dbraw/zinc/48/36/07/646483607.db2.gz MDSWHBPPFZZODJ-OTSSQURYSA-N 1 2 259.708 2.045 20 10 CECDLO Oc1c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)ccc(F)c1F ZINC000864051755 646872034 /nfs/dbraw/zinc/87/20/34/646872034.db2.gz QUMVGQPWBHWCHM-OAHLLOKOSA-N 1 2 283.318 2.407 20 10 CECDLO Oc1c(C[N@H+]2CCC[C@](O)(C3CC3)C2)ccc(F)c1F ZINC000864051755 646872040 /nfs/dbraw/zinc/87/20/40/646872040.db2.gz QUMVGQPWBHWCHM-OAHLLOKOSA-N 1 2 283.318 2.407 20 10 CECDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1cccc(C)c1O ZINC000775648750 646976213 /nfs/dbraw/zinc/97/62/13/646976213.db2.gz WLLLXYWHNPRXOD-ZDUSSCGKSA-N 1 2 295.404 2.181 20 10 CECDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1cccc(C)c1O ZINC000775648750 646976214 /nfs/dbraw/zinc/97/62/14/646976214.db2.gz WLLLXYWHNPRXOD-ZDUSSCGKSA-N 1 2 295.404 2.181 20 10 CECDLO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000776251977 647042326 /nfs/dbraw/zinc/04/23/26/647042326.db2.gz GFOGXGKWVBTWTB-JQWIXIFHSA-N 1 2 282.771 2.050 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1cnccn1 ZINC000776256115 647043516 /nfs/dbraw/zinc/04/35/16/647043516.db2.gz KJYZQAQDGKSFJS-UHFFFAOYSA-N 1 2 281.718 2.307 20 10 CECDLO C[C@H]1CCN(CC[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000777483249 647140035 /nfs/dbraw/zinc/14/00/35/647140035.db2.gz KEZLKWRIGUYUQH-NSHDSACASA-N 1 2 268.788 2.477 20 10 CECDLO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000779191106 647295831 /nfs/dbraw/zinc/29/58/31/647295831.db2.gz FGLPVLXWGDCIMC-LLVKDONJSA-N 1 2 277.755 2.347 20 10 CECDLO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(F)cc(F)c1O ZINC000866489865 647804088 /nfs/dbraw/zinc/80/40/88/647804088.db2.gz XYXVDEOYZUZFSF-MKCWBWRRSA-N 1 2 257.280 2.234 20 10 CECDLO C[C@H](O)CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000789757089 648338350 /nfs/dbraw/zinc/33/83/50/648338350.db2.gz KYQPTMDZXBWSBN-QMMMGPOBSA-N 1 2 261.724 2.435 20 10 CECDLO CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000790937121 648461660 /nfs/dbraw/zinc/46/16/60/648461660.db2.gz ILEWJOYIRCRQCV-NSHDSACASA-N 1 2 273.735 2.387 20 10 CECDLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000790937121 648461663 /nfs/dbraw/zinc/46/16/63/648461663.db2.gz ILEWJOYIRCRQCV-NSHDSACASA-N 1 2 273.735 2.387 20 10 CECDLO COc1ccc(C[NH2+]C(CF)CF)cc1Cn1cccn1 ZINC000873128831 649565232 /nfs/dbraw/zinc/56/52/32/649565232.db2.gz DYVJRMPGXHFRHD-UHFFFAOYSA-N 1 2 295.333 2.337 20 10 CECDLO CCOC(=O)[C@@H](CC)[NH2+][C@H](C)c1ccccc1O ZINC000879648270 651334994 /nfs/dbraw/zinc/33/49/94/651334994.db2.gz HVPRPEQDYVEUCG-ZYHUDNBSSA-N 1 2 251.326 2.385 20 10 CECDLO OCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccco1 ZINC000883089955 652360753 /nfs/dbraw/zinc/36/07/53/652360753.db2.gz YFGFFOZGGLEEQL-GFCCVEGCSA-N 1 2 283.274 2.477 20 10 CECDLO C[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)[C@@H]1CO ZINC001140582630 803177710 /nfs/dbraw/zinc/17/77/10/803177710.db2.gz KYJZTGISGSSQKK-NOZJJQNGSA-N 1 2 271.307 2.263 20 10 CECDLO CO[C@@H](C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715723155 814988578 /nfs/dbraw/zinc/98/85/78/814988578.db2.gz WFXOXWXGMDWPSA-ZETCQYMHSA-N 1 2 292.148 2.418 20 10 CECDLO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1Cl ZINC001236800862 808167508 /nfs/dbraw/zinc/16/75/08/808167508.db2.gz AAVOYFNFHLUTCC-PHIMTYICSA-N 1 2 283.755 2.132 20 10 CECDLO COc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1Cl ZINC001236800862 808167510 /nfs/dbraw/zinc/16/75/10/808167510.db2.gz AAVOYFNFHLUTCC-PHIMTYICSA-N 1 2 283.755 2.132 20 10 CECDLO CC(C)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000131127930 808298090 /nfs/dbraw/zinc/29/80/90/808298090.db2.gz OPHNEMNIUKPTHZ-UHFFFAOYSA-N 1 2 261.413 2.279 20 10 CECDLO C[NH+](C)C1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000703504461 809654184 /nfs/dbraw/zinc/65/41/84/809654184.db2.gz YSQRUCYTGMXAEJ-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO Cn1ccc(C[NH2+]Cc2c(O)cccc2Br)n1 ZINC000706818273 809855669 /nfs/dbraw/zinc/85/56/69/809855669.db2.gz MZUVQOHEDUWCOK-UHFFFAOYSA-N 1 2 296.168 2.178 20 10 CECDLO O=C1[C@H]([NH2+]Cc2cccc(Cl)c2O)CCN1C1CCC1 ZINC000708677960 809932950 /nfs/dbraw/zinc/93/29/50/809932950.db2.gz AIAWFRWZGFQPJK-CYBMUJFWSA-N 1 2 294.782 2.289 20 10 CECDLO Cc1c[nH]c(C[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000693470273 814621861 /nfs/dbraw/zinc/62/18/61/814621861.db2.gz QIHKQPGBIXZNRO-UHFFFAOYSA-N 1 2 251.717 2.367 20 10 CECDLO C[N@H+](Cc1ccccc1O)Cc1c(N)ncnc1Cl ZINC001139442123 816025683 /nfs/dbraw/zinc/02/56/83/816025683.db2.gz ZKQRJVPZNDYIDF-UHFFFAOYSA-N 1 2 278.743 2.050 20 10 CECDLO C[N@@H+](Cc1ccccc1O)Cc1c(N)ncnc1Cl ZINC001139442123 816025689 /nfs/dbraw/zinc/02/56/89/816025689.db2.gz ZKQRJVPZNDYIDF-UHFFFAOYSA-N 1 2 278.743 2.050 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001139683593 816081322 /nfs/dbraw/zinc/08/13/22/816081322.db2.gz NUZLYINBRSNYGC-LLVKDONJSA-N 1 2 282.334 2.341 20 10 CECDLO Cn1ncc2c1C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140342180 816237442 /nfs/dbraw/zinc/23/74/42/816237442.db2.gz WAVUOYVQWYGSKI-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Cn1ncc2c1C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140342180 816237444 /nfs/dbraw/zinc/23/74/44/816237444.db2.gz WAVUOYVQWYGSKI-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO C[N@H+](C1CC1)[C@H]1CCN(Cc2c(O)cc(F)cc2F)C1 ZINC001140584453 816293405 /nfs/dbraw/zinc/29/34/05/816293405.db2.gz RRDFKMJJOICEKY-LBPRGKRZSA-N 1 2 282.334 2.339 20 10 CECDLO C[N@@H+](C1CC1)[C@H]1CCN(Cc2c(O)cc(F)cc2F)C1 ZINC001140584453 816293407 /nfs/dbraw/zinc/29/34/07/816293407.db2.gz RRDFKMJJOICEKY-LBPRGKRZSA-N 1 2 282.334 2.339 20 10 CECDLO CO[C@@H](C)C1C[NH+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585496 816294650 /nfs/dbraw/zinc/29/46/50/816294650.db2.gz KMUNMHWRSCJPSQ-QMMMGPOBSA-N 1 2 257.280 2.137 20 10 CECDLO COC(=O)C[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585448 816294779 /nfs/dbraw/zinc/29/47/79/816294779.db2.gz IZJFREWUKXZGRL-SECBINFHSA-N 1 2 285.290 2.055 20 10 CECDLO COC(=O)C[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585448 816294783 /nfs/dbraw/zinc/29/47/83/816294783.db2.gz IZJFREWUKXZGRL-SECBINFHSA-N 1 2 285.290 2.055 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCC3(C2)OCCO3)c(Cl)c1 ZINC001140924575 816412164 /nfs/dbraw/zinc/41/21/64/816412164.db2.gz QVTRVDKFDIQHCF-UHFFFAOYSA-N 1 2 296.798 2.355 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCC3(C2)OCCO3)c(Cl)c1 ZINC001140924575 816412166 /nfs/dbraw/zinc/41/21/66/816412166.db2.gz QVTRVDKFDIQHCF-UHFFFAOYSA-N 1 2 296.798 2.355 20 10 CECDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179885345 368356951 /nfs/dbraw/zinc/35/69/51/368356951.db2.gz WMKAAZUWIJEKTB-CYBMUJFWSA-N 1 2 281.327 2.449 20 10 CECDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000179885345 368356959 /nfs/dbraw/zinc/35/69/59/368356959.db2.gz WMKAAZUWIJEKTB-CYBMUJFWSA-N 1 2 281.327 2.449 20 10 CECDLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180853905 368399596 /nfs/dbraw/zinc/39/95/96/368399596.db2.gz QJYPRXPLJIEKTG-NXEZZACHSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180853905 368399601 /nfs/dbraw/zinc/39/96/01/368399601.db2.gz QJYPRXPLJIEKTG-NXEZZACHSA-N 1 2 255.745 2.248 20 10 CECDLO CC[N@H+](CC[C@@H]1CCOC1=O)c1ccc(OC)cc1 ZINC000267921775 372082680 /nfs/dbraw/zinc/08/26/80/372082680.db2.gz FKMFXFHJJXWFCV-GFCCVEGCSA-N 1 2 263.337 2.475 20 10 CECDLO CC[N@@H+](CC[C@@H]1CCOC1=O)c1ccc(OC)cc1 ZINC000267921775 372082684 /nfs/dbraw/zinc/08/26/84/372082684.db2.gz FKMFXFHJJXWFCV-GFCCVEGCSA-N 1 2 263.337 2.475 20 10 CECDLO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276869362 374330078 /nfs/dbraw/zinc/33/00/78/374330078.db2.gz DOHPLEDVFPOVPL-GZMMTYOYSA-N 1 2 259.296 2.338 20 10 CECDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(Cl)c1O)CCO2 ZINC000279702511 374958503 /nfs/dbraw/zinc/95/85/03/374958503.db2.gz RITZWNCYFBFARK-ABAIWWIYSA-N 1 2 297.782 2.425 20 10 CECDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(Cl)c1O)CCO2 ZINC000279702511 374958510 /nfs/dbraw/zinc/95/85/10/374958510.db2.gz RITZWNCYFBFARK-ABAIWWIYSA-N 1 2 297.782 2.425 20 10 CECDLO CC[C@H]([NH2+]CCCOCCO)c1cccc(Cl)c1O ZINC000287633245 376281326 /nfs/dbraw/zinc/28/13/26/376281326.db2.gz KMNRXQGGDOVUBW-ZDUSSCGKSA-N 1 2 287.787 2.485 20 10 CECDLO O=C1NCC[N@@H+](Cc2ccccc2O)[C@H]1c1cccs1 ZINC000376166477 395111212 /nfs/dbraw/zinc/11/12/12/395111212.db2.gz LZDRGPYAXGCDIF-AWEZNQCLSA-N 1 2 288.372 2.127 20 10 CECDLO O=C1NCC[N@H+](Cc2ccccc2O)[C@H]1c1cccs1 ZINC000376166477 395111219 /nfs/dbraw/zinc/11/12/19/395111219.db2.gz LZDRGPYAXGCDIF-AWEZNQCLSA-N 1 2 288.372 2.127 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCc2cccc(O)c21 ZINC000493848926 395676605 /nfs/dbraw/zinc/67/66/05/395676605.db2.gz QYBWXJYFHGUTSR-VOTSOKGWSA-N 1 2 269.304 2.108 20 10 CECDLO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000378455490 329051223 /nfs/dbraw/zinc/05/12/23/329051223.db2.gz REFQNOTYXDPTPT-CDMKHQONSA-N 1 2 294.782 2.145 20 10 CECDLO CCCN1CCC[N@H+](Cc2c(O)cccc2Cl)CC1=O ZINC000276703112 519851720 /nfs/dbraw/zinc/85/17/20/519851720.db2.gz UPHMSCWBKAXXPP-UHFFFAOYSA-N 1 2 296.798 2.490 20 10 CECDLO CCCN1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1=O ZINC000276703112 519851722 /nfs/dbraw/zinc/85/17/22/519851722.db2.gz UPHMSCWBKAXXPP-UHFFFAOYSA-N 1 2 296.798 2.490 20 10 CECDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc(OC)c1O ZINC000036980933 523895970 /nfs/dbraw/zinc/89/59/70/523895970.db2.gz YIVNAWLTWXWHPQ-LBPRGKRZSA-N 1 2 281.352 2.078 20 10 CECDLO Cc1ccc([C@@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)o1 ZINC000265934484 525781425 /nfs/dbraw/zinc/78/14/25/525781425.db2.gz DVAINQAGOVSLER-ZDUSSCGKSA-N 1 2 292.291 2.025 20 10 CECDLO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1cc(F)cc(F)c1O ZINC000756534702 574819768 /nfs/dbraw/zinc/81/97/68/574819768.db2.gz NAEKDOUHCWCKMU-WCBMZHEXSA-N 1 2 256.296 2.025 20 10 CECDLO CC(=O)c1cc(Cl)cc(Cn2cc[nH+]c2)c1O ZINC000176997503 625342825 /nfs/dbraw/zinc/34/28/25/625342825.db2.gz UDDFNPWANMQDSL-UHFFFAOYSA-N 1 2 250.685 2.493 20 10 CECDLO COC(=O)[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1C ZINC000280191537 625253923 /nfs/dbraw/zinc/25/39/23/625253923.db2.gz HJEXRYYCTDKAES-MWLCHTKSSA-N 1 2 283.755 2.287 20 10 CECDLO COC(=O)[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1C ZINC000280191537 625253926 /nfs/dbraw/zinc/25/39/26/625253926.db2.gz HJEXRYYCTDKAES-MWLCHTKSSA-N 1 2 283.755 2.287 20 10 CECDLO CCOC(=O)C[N@@H+](CC)Cc1cc(Cl)ccc1O ZINC000092399540 628282137 /nfs/dbraw/zinc/28/21/37/628282137.db2.gz MASFAZHLLQHYFV-UHFFFAOYSA-N 1 2 271.744 2.431 20 10 CECDLO C[C@@H](CCO)[NH2+]Cc1cccc(Br)c1O ZINC000096811392 628955982 /nfs/dbraw/zinc/95/59/82/628955982.db2.gz URSMHZLDUYXHGP-QMMMGPOBSA-N 1 2 274.158 2.015 20 10 CECDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(F)cc(F)c1O)CCO2 ZINC000894603521 629549452 /nfs/dbraw/zinc/54/94/52/629549452.db2.gz ZJNMPHYIKJQCKE-BMIGLBTASA-N 1 2 299.317 2.050 20 10 CECDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(F)cc(F)c1O)CCO2 ZINC000894603521 629549454 /nfs/dbraw/zinc/54/94/54/629549454.db2.gz ZJNMPHYIKJQCKE-BMIGLBTASA-N 1 2 299.317 2.050 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H](C)[S@@]1=O ZINC000792192766 629602343 /nfs/dbraw/zinc/60/23/43/629602343.db2.gz PZVQJSHNUOKZRV-DBWKPXFBSA-N 1 2 280.437 2.094 20 10 CECDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H](C)[S@@]1=O ZINC000792192766 629602346 /nfs/dbraw/zinc/60/23/46/629602346.db2.gz PZVQJSHNUOKZRV-DBWKPXFBSA-N 1 2 280.437 2.094 20 10 CECDLO C[N@H+](Cc1cc(F)cc(F)c1O)CC(C)(C)CO ZINC000894881498 629715511 /nfs/dbraw/zinc/71/55/11/629715511.db2.gz PYMDHMCQWVXOKZ-UHFFFAOYSA-N 1 2 259.296 2.121 20 10 CECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)CC(C)(C)CO ZINC000894881498 629715516 /nfs/dbraw/zinc/71/55/16/629715516.db2.gz PYMDHMCQWVXOKZ-UHFFFAOYSA-N 1 2 259.296 2.121 20 10 CECDLO CC[C@H]([NH2+]Cc1ncnn1CC)c1ccc(F)cc1O ZINC000796986635 630094610 /nfs/dbraw/zinc/09/46/10/630094610.db2.gz YSNYDYXLVZYZOI-LBPRGKRZSA-N 1 2 278.331 2.384 20 10 CECDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)no1 ZINC000896230215 630504101 /nfs/dbraw/zinc/50/41/01/630504101.db2.gz IVBFBWWBSUJQHC-JTQLQIEISA-N 1 2 295.289 2.351 20 10 CECDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)no1 ZINC000896230215 630504106 /nfs/dbraw/zinc/50/41/06/630504106.db2.gz IVBFBWWBSUJQHC-JTQLQIEISA-N 1 2 295.289 2.351 20 10 CECDLO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000802659142 631441522 /nfs/dbraw/zinc/44/15/22/631441522.db2.gz GMDIMANMQBTQCD-NSHDSACASA-N 1 2 282.771 2.192 20 10 CECDLO CC[NH2+][C@H](C)C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841065284 632412189 /nfs/dbraw/zinc/41/21/89/632412189.db2.gz IDWBKFZIDRLHRA-MRVPVSSYSA-N 1 2 287.747 2.041 20 10 CECDLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000817415503 633654445 /nfs/dbraw/zinc/65/44/45/633654445.db2.gz XYRHDMCTJDDMMK-KOLCDFICSA-N 1 2 255.745 2.391 20 10 CECDLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000817415503 633654447 /nfs/dbraw/zinc/65/44/47/633654447.db2.gz XYRHDMCTJDDMMK-KOLCDFICSA-N 1 2 255.745 2.391 20 10 CECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC000824234575 635382590 /nfs/dbraw/zinc/38/25/90/635382590.db2.gz NAGFCMYXJHWEGZ-UHFFFAOYSA-N 1 2 286.379 2.067 20 10 CECDLO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(F)F ZINC000824508141 635438116 /nfs/dbraw/zinc/43/81/16/635438116.db2.gz ANJCVFCAPZMOSP-QMMMGPOBSA-N 1 2 259.252 2.254 20 10 CECDLO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000827500966 636338518 /nfs/dbraw/zinc/33/85/18/636338518.db2.gz PMAUSRPSMOIBQR-AOOOYVTPSA-N 1 2 269.728 2.087 20 10 CECDLO C[C@H](NC(=O)CNc1cccc[nH+]1)c1ccc(N(C)C)cc1 ZINC000907493794 637034609 /nfs/dbraw/zinc/03/46/09/637034609.db2.gz SVCAEHWHJSIWRT-ZDUSSCGKSA-N 1 2 298.390 2.437 20 10 CECDLO C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[NH2+]1 ZINC000088058651 639935404 /nfs/dbraw/zinc/93/54/04/639935404.db2.gz KYANWGKAFGISSF-QMMMGPOBSA-N 1 2 275.179 2.493 20 10 CECDLO CCOC(=O)[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399763 640708168 /nfs/dbraw/zinc/70/81/68/640708168.db2.gz OCSQCFLAXDFFDM-ZDUSSCGKSA-N 1 2 294.395 2.015 20 10 CECDLO CCOC(=O)[C@H](C)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399763 640708175 /nfs/dbraw/zinc/70/81/75/640708175.db2.gz OCSQCFLAXDFFDM-ZDUSSCGKSA-N 1 2 294.395 2.015 20 10 CECDLO Oc1ccc2ccccc2c1C[N@@H+]1CCn2nncc2C1 ZINC000848490374 642011179 /nfs/dbraw/zinc/01/11/79/642011179.db2.gz DWIOHOXMADAUEF-UHFFFAOYSA-N 1 2 280.331 2.153 20 10 CECDLO Oc1ccc2ccccc2c1C[N@H+]1CCn2nncc2C1 ZINC000848490374 642011184 /nfs/dbraw/zinc/01/11/84/642011184.db2.gz DWIOHOXMADAUEF-UHFFFAOYSA-N 1 2 280.331 2.153 20 10 CECDLO CCOCCOCC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877467216 650733616 /nfs/dbraw/zinc/73/36/16/650733616.db2.gz XOCWOONIBTUXAD-UHFFFAOYSA-N 1 2 289.322 2.155 20 10 CECDLO CCOCCOCC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877467216 650733617 /nfs/dbraw/zinc/73/36/17/650733617.db2.gz XOCWOONIBTUXAD-UHFFFAOYSA-N 1 2 289.322 2.155 20 10 CECDLO OC1CCN(c2ccc(C[NH2+]CC(F)F)cc2)CC1 ZINC000877518932 650762096 /nfs/dbraw/zinc/76/20/96/650762096.db2.gz VJIQDZQWWWRESF-UHFFFAOYSA-N 1 2 270.323 2.002 20 10 CECDLO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877540725 650776726 /nfs/dbraw/zinc/77/67/26/650776726.db2.gz ATEVWJNKERCCAN-SNVBAGLBSA-N 1 2 257.280 2.016 20 10 CECDLO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877540725 650776728 /nfs/dbraw/zinc/77/67/28/650776728.db2.gz ATEVWJNKERCCAN-SNVBAGLBSA-N 1 2 257.280 2.016 20 10 CECDLO Cc1cc(C[N@H+](C)Cc2ncc[nH]2)ccc1N(C)C ZINC000851873900 643204245 /nfs/dbraw/zinc/20/42/45/643204245.db2.gz SOKGREDBAIZRSU-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO Cc1cc(C[N@@H+](C)Cc2ncc[nH]2)ccc1N(C)C ZINC000851873900 643204250 /nfs/dbraw/zinc/20/42/50/643204250.db2.gz SOKGREDBAIZRSU-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO Cc1ccc(C[N@@H+]2CCCc3[nH]ncc3C2)c(O)c1 ZINC000877643609 650831183 /nfs/dbraw/zinc/83/11/83/650831183.db2.gz LFNHNEXXBGMVRO-UHFFFAOYSA-N 1 2 257.337 2.372 20 10 CECDLO Cc1ccc(C[N@H+]2CCCc3[nH]ncc3C2)c(O)c1 ZINC000877643609 650831186 /nfs/dbraw/zinc/83/11/86/650831186.db2.gz LFNHNEXXBGMVRO-UHFFFAOYSA-N 1 2 257.337 2.372 20 10 CECDLO CCOc1ccc(O)c(C[NH+]2CC(OCC(F)F)C2)c1 ZINC000839138897 644170902 /nfs/dbraw/zinc/17/09/02/644170902.db2.gz WRDFQUFZQZGODK-UHFFFAOYSA-N 1 2 287.306 2.257 20 10 CECDLO CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756554950 644664252 /nfs/dbraw/zinc/66/42/52/644664252.db2.gz QPNKKMQQHMAKLE-AMIZOPFISA-N 1 2 259.296 2.482 20 10 CECDLO COc1cccc(C[N@H+](C)CC(=O)OC(C)(C)C)c1O ZINC000126941148 651018774 /nfs/dbraw/zinc/01/87/74/651018774.db2.gz HVLIAPZHVXVOBG-UHFFFAOYSA-N 1 2 281.352 2.174 20 10 CECDLO COc1cccc(C[N@@H+](C)CC(=O)OC(C)(C)C)c1O ZINC000126941148 651018775 /nfs/dbraw/zinc/01/87/75/651018775.db2.gz HVLIAPZHVXVOBG-UHFFFAOYSA-N 1 2 281.352 2.174 20 10 CECDLO Cc1ccc(O)c(CNC(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000860850210 645922407 /nfs/dbraw/zinc/92/24/07/645922407.db2.gz BIVPAHCKRLZOSS-UHFFFAOYSA-N 1 2 285.347 2.456 20 10 CECDLO CCOc1ccc(C[NH2+][C@@H](C(=O)OC)C(C)(C)C)c(O)c1 ZINC000768518786 646134530 /nfs/dbraw/zinc/13/45/30/646134530.db2.gz IJIXNMPNPCJARB-AWEZNQCLSA-N 1 2 295.379 2.468 20 10 CECDLO CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(O)c1 ZINC000769465537 646272775 /nfs/dbraw/zinc/27/27/75/646272775.db2.gz HCWIHTXLNDEAIQ-HTGLOVNISA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(O)c1 ZINC000769465537 646272777 /nfs/dbraw/zinc/27/27/77/646272777.db2.gz HCWIHTXLNDEAIQ-HTGLOVNISA-N 1 2 297.420 2.132 20 10 CECDLO C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000863546646 646754139 /nfs/dbraw/zinc/75/41/39/646754139.db2.gz MFHWZEHNOQRTKA-OUAUKWLOSA-N 1 2 279.340 2.092 20 10 CECDLO CCCC[N@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000775656628 646976921 /nfs/dbraw/zinc/97/69/21/646976921.db2.gz XUCKBAWMLHRIMR-UHFFFAOYSA-N 1 2 288.750 2.272 20 10 CECDLO CCCC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000775656628 646976924 /nfs/dbraw/zinc/97/69/24/646976924.db2.gz XUCKBAWMLHRIMR-UHFFFAOYSA-N 1 2 288.750 2.272 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000775744004 646986461 /nfs/dbraw/zinc/98/64/61/646986461.db2.gz IUZGPEAUTYMTSY-PELKAZGASA-N 1 2 273.735 2.387 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000775744004 646986462 /nfs/dbraw/zinc/98/64/62/646986462.db2.gz IUZGPEAUTYMTSY-PELKAZGASA-N 1 2 273.735 2.387 20 10 CECDLO C[C@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000776252893 647042388 /nfs/dbraw/zinc/04/23/88/647042388.db2.gz RHMXJGBWJZPJPK-LBPRGKRZSA-N 1 2 259.708 2.453 20 10 CECDLO OC[C@@H](CC1CC1)[NH2+]Cc1cccc(Cl)c1O ZINC000776252037 647042640 /nfs/dbraw/zinc/04/26/40/647042640.db2.gz KWSKEDHJBIKRBO-LLVKDONJSA-N 1 2 255.745 2.296 20 10 CECDLO OCC1([NH2+]Cc2cc(Cl)cc(F)c2O)CCC1 ZINC000777441477 647136989 /nfs/dbraw/zinc/13/69/89/647136989.db2.gz SXMWBCZUIXSVKH-UHFFFAOYSA-N 1 2 259.708 2.189 20 10 CECDLO Cc1cn2cc(NC(=O)c3cccc(O)c3O)ccc2[nH+]1 ZINC000790627909 648436291 /nfs/dbraw/zinc/43/62/91/648436291.db2.gz TWUHGIHGSBFPCB-UHFFFAOYSA-N 1 2 283.287 2.306 20 10 CECDLO CC(C)(C)OC1C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000872751304 649476791 /nfs/dbraw/zinc/47/67/91/649476791.db2.gz AOKWOWVZPKOERM-UHFFFAOYSA-N 1 2 279.336 2.120 20 10 CECDLO Oc1c(F)cc(Br)cc1C[NH2+]CC1COC1 ZINC000883190565 652394964 /nfs/dbraw/zinc/39/49/64/652394964.db2.gz HCLVFWYTWKPDFH-UHFFFAOYSA-N 1 2 290.132 2.030 20 10 CECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(F)F)c1 ZINC000883399718 652456063 /nfs/dbraw/zinc/45/60/63/652456063.db2.gz UCQYXFXGZYOEAO-YUMQZZPRSA-N 1 2 273.279 2.483 20 10 CECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(F)F)c1 ZINC000883399717 652456179 /nfs/dbraw/zinc/45/61/79/652456179.db2.gz UCQYXFXGZYOEAO-SFYZADRCSA-N 1 2 273.279 2.483 20 10 CECDLO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(F)F ZINC000883406823 652459393 /nfs/dbraw/zinc/45/93/93/652459393.db2.gz BOQGLDGHORPLEA-LLVKDONJSA-N 1 2 284.350 2.391 20 10 CECDLO COCC[N@H+](CCF)Cc1c(O)cccc1Cl ZINC000697048246 806128238 /nfs/dbraw/zinc/12/82/38/806128238.db2.gz SLZHEAKZGJMICD-UHFFFAOYSA-N 1 2 261.724 2.464 20 10 CECDLO COCC[N@@H+](CCF)Cc1c(O)cccc1Cl ZINC000697048246 806128242 /nfs/dbraw/zinc/12/82/42/806128242.db2.gz SLZHEAKZGJMICD-UHFFFAOYSA-N 1 2 261.724 2.464 20 10 CECDLO Cc1[nH+]cc2n1CCN(Cc1c(O)cccc1F)C2 ZINC001137832583 809544906 /nfs/dbraw/zinc/54/49/06/809544906.db2.gz ADSWGNZBICTFEG-UHFFFAOYSA-N 1 2 261.300 2.052 20 10 CECDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)C[C@@H]1[NH+](C)C ZINC000703501958 809652445 /nfs/dbraw/zinc/65/24/45/809652445.db2.gz MGRKGCBPXCSPRJ-SKDRFNHKSA-N 1 2 270.323 2.052 20 10 CECDLO COC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703597073 809667083 /nfs/dbraw/zinc/66/70/83/809667083.db2.gz WXZOHLKWTWLJEU-VIFPVBQESA-N 1 2 257.280 2.139 20 10 CECDLO COC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703597073 809667089 /nfs/dbraw/zinc/66/70/89/809667089.db2.gz WXZOHLKWTWLJEU-VIFPVBQESA-N 1 2 257.280 2.139 20 10 CECDLO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001144499163 814089329 /nfs/dbraw/zinc/08/93/29/814089329.db2.gz CUKFGWQNYPEEIS-GFCCVEGCSA-N 1 2 291.269 2.373 20 10 CECDLO Oc1cc(O)c(C[N@H+]2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001144499163 814089334 /nfs/dbraw/zinc/08/93/34/814089334.db2.gz CUKFGWQNYPEEIS-GFCCVEGCSA-N 1 2 291.269 2.373 20 10 CECDLO CC(C)CC(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140059189 816180715 /nfs/dbraw/zinc/18/07/15/816180715.db2.gz XYJFFKXGKRRMKI-UHFFFAOYSA-N 1 2 294.370 2.222 20 10 CECDLO C[N@H+](Cc1ccncn1)Cc1c(O)cccc1Cl ZINC001140342651 816238471 /nfs/dbraw/zinc/23/84/71/816238471.db2.gz SMMIOPIETAGJIY-UHFFFAOYSA-N 1 2 263.728 2.468 20 10 CECDLO C[N@@H+](Cc1ccncn1)Cc1c(O)cccc1Cl ZINC001140342651 816238477 /nfs/dbraw/zinc/23/84/77/816238477.db2.gz SMMIOPIETAGJIY-UHFFFAOYSA-N 1 2 263.728 2.468 20 10 CECDLO C[NH+]1CC2(C1)CCN(Cc1ccc(Cl)cc1O)C2 ZINC001140464189 816261107 /nfs/dbraw/zinc/26/11/07/816261107.db2.gz FWKFLYHIOAFGHD-UHFFFAOYSA-N 1 2 266.772 2.183 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001140582639 816290958 /nfs/dbraw/zinc/29/09/58/816290958.db2.gz LCRXJMIWDHAGSQ-CQSZACIVSA-N 1 2 289.297 2.357 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001140582639 816290964 /nfs/dbraw/zinc/29/09/64/816290964.db2.gz LCRXJMIWDHAGSQ-CQSZACIVSA-N 1 2 289.297 2.357 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001140583645 816293491 /nfs/dbraw/zinc/29/34/91/816293491.db2.gz PPXWASKVZNRJLI-AWEZNQCLSA-N 1 2 269.291 2.425 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001140583645 816293495 /nfs/dbraw/zinc/29/34/95/816293495.db2.gz PPXWASKVZNRJLI-AWEZNQCLSA-N 1 2 269.291 2.425 20 10 CECDLO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276003714 296009477 /nfs/dbraw/zinc/00/94/77/296009477.db2.gz AVQIDZKADIRSOF-IUCAKERBSA-N 1 2 282.294 2.001 20 10 CECDLO CCN(CC)C(=O)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000155108163 366805909 /nfs/dbraw/zinc/80/59/09/366805909.db2.gz AMZKOYRWIYVQNO-UHFFFAOYSA-N 1 2 284.787 2.346 20 10 CECDLO CCN(CC)C(=O)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000155108163 366805916 /nfs/dbraw/zinc/80/59/16/366805916.db2.gz AMZKOYRWIYVQNO-UHFFFAOYSA-N 1 2 284.787 2.346 20 10 CECDLO CCC[C@](C)([NH2+]Cc1ccc2c(c1)CCO2)C(=O)OC ZINC000111246844 364726378 /nfs/dbraw/zinc/72/63/78/364726378.db2.gz MASJVOZRLPYVNB-INIZCTEOSA-N 1 2 277.364 2.443 20 10 CECDLO CCc1nnc(C[N@@H+]2CC=C(c3ccc(N(C)C)cc3)C2)[nH]1 ZINC000364288802 372716857 /nfs/dbraw/zinc/71/68/57/372716857.db2.gz IHPJEBCRUNCLBA-UHFFFAOYSA-N 1 2 297.406 2.332 20 10 CECDLO CCc1nnc(C[N@H+]2CC=C(c3ccc(N(C)C)cc3)C2)[nH]1 ZINC000364288802 372716865 /nfs/dbraw/zinc/71/68/65/372716865.db2.gz IHPJEBCRUNCLBA-UHFFFAOYSA-N 1 2 297.406 2.332 20 10 CECDLO CC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC000271993499 373251882 /nfs/dbraw/zinc/25/18/82/373251882.db2.gz SEWYZFPIQKAXKG-JOYOIKCWSA-N 1 2 255.745 2.248 20 10 CECDLO CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC000271993499 373251886 /nfs/dbraw/zinc/25/18/86/373251886.db2.gz SEWYZFPIQKAXKG-JOYOIKCWSA-N 1 2 255.745 2.248 20 10 CECDLO CCC[N@H+](CC(=O)OCC)Cc1cccc(F)c1O ZINC000272323255 373429319 /nfs/dbraw/zinc/42/93/19/373429319.db2.gz UUKGXFFAPQURPN-UHFFFAOYSA-N 1 2 269.316 2.306 20 10 CECDLO CCC[N@@H+](CC(=O)OCC)Cc1cccc(F)c1O ZINC000272323255 373429326 /nfs/dbraw/zinc/42/93/26/373429326.db2.gz UUKGXFFAPQURPN-UHFFFAOYSA-N 1 2 269.316 2.306 20 10 CECDLO COC(=O)[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC000272785695 373657196 /nfs/dbraw/zinc/65/71/96/373657196.db2.gz BTXJDPBBARLWRN-CQSZACIVSA-N 1 2 263.337 2.045 20 10 CECDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000284087543 375807352 /nfs/dbraw/zinc/80/73/52/375807352.db2.gz RLPJBSVOWGNOFK-UHFFFAOYSA-N 1 2 273.336 2.338 20 10 CECDLO CC[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(F)cc1O ZINC000287375835 376217874 /nfs/dbraw/zinc/21/78/74/376217874.db2.gz HZGHJHJULFOYJD-JOYOIKCWSA-N 1 2 278.331 2.462 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nnc2n1CCC2 ZINC000294208214 377940986 /nfs/dbraw/zinc/94/09/86/377940986.db2.gz LDFGFZHCBVZHAO-UHFFFAOYSA-N 1 2 296.733 2.012 20 10 CECDLO CCn1nc(C)c(C[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC000294910159 378028301 /nfs/dbraw/zinc/02/83/01/378028301.db2.gz CAXJBBUVRVSZIZ-UHFFFAOYSA-N 1 2 291.374 2.101 20 10 CECDLO OC[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000294963041 378032782 /nfs/dbraw/zinc/03/27/82/378032782.db2.gz FCHUAKINXKSFPQ-SCZZXKLOSA-N 1 2 273.735 2.435 20 10 CECDLO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000295122739 378043593 /nfs/dbraw/zinc/04/35/93/378043593.db2.gz NLIPYOLMIJBKPB-LLVKDONJSA-N 1 2 298.770 2.318 20 10 CECDLO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000295122739 378043599 /nfs/dbraw/zinc/04/35/99/378043599.db2.gz NLIPYOLMIJBKPB-LLVKDONJSA-N 1 2 298.770 2.318 20 10 CECDLO CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1cccc(Cl)c1O ZINC000530227850 380198307 /nfs/dbraw/zinc/19/83/07/380198307.db2.gz WIABLARZVLYOSI-ZWNOBZJWSA-N 1 2 284.787 2.075 20 10 CECDLO CN(C)c1ccc(CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000302036872 394470737 /nfs/dbraw/zinc/47/07/37/394470737.db2.gz FVMHREKQJKNYOQ-UHFFFAOYSA-N 1 2 277.759 2.390 20 10 CECDLO CN(C)c1ccc(CNc2[nH+]cnc(N)c2Cl)cc1 ZINC000302036872 394470742 /nfs/dbraw/zinc/47/07/42/394470742.db2.gz FVMHREKQJKNYOQ-UHFFFAOYSA-N 1 2 277.759 2.390 20 10 CECDLO CC[C@@H](c1ccccc1O)[N@@H+]1CCn2c(C)nnc2C1 ZINC000372590679 395043814 /nfs/dbraw/zinc/04/38/14/395043814.db2.gz FYXHWXDMNRJYGQ-ZDUSSCGKSA-N 1 2 272.352 2.259 20 10 CECDLO CC[C@@H](c1ccccc1O)[N@H+]1CCn2c(C)nnc2C1 ZINC000372590679 395043817 /nfs/dbraw/zinc/04/38/17/395043817.db2.gz FYXHWXDMNRJYGQ-ZDUSSCGKSA-N 1 2 272.352 2.259 20 10 CECDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000177676391 395154347 /nfs/dbraw/zinc/15/43/47/395154347.db2.gz GGOXCDBGQOAJTK-SNVBAGLBSA-N 1 2 277.324 2.115 20 10 CECDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000177676391 395154351 /nfs/dbraw/zinc/15/43/51/395154351.db2.gz GGOXCDBGQOAJTK-SNVBAGLBSA-N 1 2 277.324 2.115 20 10 CECDLO CN1CCCc2cc(CNC(=O)CCc3[nH]cc[nH+]3)ccc21 ZINC000279150320 263053426 /nfs/dbraw/zinc/05/34/26/263053426.db2.gz HEVQKGVILYXTRY-UHFFFAOYSA-N 1 2 298.390 2.041 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000370687147 267339891 /nfs/dbraw/zinc/33/98/91/267339891.db2.gz BLOYNWHAWDFCPD-LLVKDONJSA-N 1 2 271.719 2.141 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000370687147 267339895 /nfs/dbraw/zinc/33/98/95/267339895.db2.gz BLOYNWHAWDFCPD-LLVKDONJSA-N 1 2 271.719 2.141 20 10 CECDLO CC[C@H]([NH2+]C[C@@H]1COCCN1)c1cccc(Cl)c1O ZINC000530227849 328718347 /nfs/dbraw/zinc/71/83/47/328718347.db2.gz WIABLARZVLYOSI-MFKMUULPSA-N 1 2 284.787 2.075 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000492814290 332414529 /nfs/dbraw/zinc/41/45/29/332414529.db2.gz UHHRUBADBJDISJ-NPQIQWPPSA-N 1 2 294.358 2.439 20 10 CECDLO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000275726728 334794298 /nfs/dbraw/zinc/79/42/98/334794298.db2.gz OLTQNXVOBFZMKX-GHMZBOCLSA-N 1 2 260.341 2.241 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000279695170 518280212 /nfs/dbraw/zinc/28/02/12/518280212.db2.gz GKXKKKSHSIEXFD-ZDUSSCGKSA-N 1 2 297.782 2.451 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000279695170 518280217 /nfs/dbraw/zinc/28/02/17/518280217.db2.gz GKXKKKSHSIEXFD-ZDUSSCGKSA-N 1 2 297.782 2.451 20 10 CECDLO CCCOc1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC000366544601 520350651 /nfs/dbraw/zinc/35/06/51/520350651.db2.gz MUVIMMHUPQZJMO-HIFRSBDPSA-N 1 2 263.337 2.154 20 10 CECDLO CCCOc1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)c(O)c1 ZINC000366544601 520350655 /nfs/dbraw/zinc/35/06/55/520350655.db2.gz MUVIMMHUPQZJMO-HIFRSBDPSA-N 1 2 263.337 2.154 20 10 CECDLO CCOC1C[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000297422646 521660469 /nfs/dbraw/zinc/66/04/69/521660469.db2.gz MLODFNFKWATEEE-UHFFFAOYSA-N 1 2 271.744 2.275 20 10 CECDLO COCCOCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276203655 523997483 /nfs/dbraw/zinc/99/74/83/523997483.db2.gz NZHKSVLBHDPKGG-JTQLQIEISA-N 1 2 289.322 2.374 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3ccon3)CC2)cc1 ZINC000077247135 524430461 /nfs/dbraw/zinc/43/04/61/524430461.db2.gz XQXGAWCVMNXPSC-UHFFFAOYSA-N 1 2 273.336 2.005 20 10 CECDLO Cn1ncc(CCC[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000293695346 527567968 /nfs/dbraw/zinc/56/79/68/527567968.db2.gz RBDYHOYDAKSIBV-UHFFFAOYSA-N 1 2 298.749 2.036 20 10 CECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]Cc2cccc(F)n2)c1 ZINC000747938892 575176871 /nfs/dbraw/zinc/17/68/71/575176871.db2.gz PSWYAPQOUCPMGP-UHFFFAOYSA-N 1 2 277.255 2.124 20 10 CECDLO CC[N@H+](Cc1nc(Cc2ccc(N)cc2)no1)C1CC1 ZINC000843159548 623115920 /nfs/dbraw/zinc/11/59/20/623115920.db2.gz SPPAIDZCFXJHLM-UHFFFAOYSA-N 1 2 272.352 2.227 20 10 CECDLO CC[N@@H+](Cc1nc(Cc2ccc(N)cc2)no1)C1CC1 ZINC000843159548 623115925 /nfs/dbraw/zinc/11/59/25/623115925.db2.gz SPPAIDZCFXJHLM-UHFFFAOYSA-N 1 2 272.352 2.227 20 10 CECDLO CN(C)c1ccc(CN(C(=O)Cc2[nH]cc[nH+]2)C2CC2)cc1 ZINC000821032806 634608777 /nfs/dbraw/zinc/60/87/77/634608777.db2.gz HFQQOHAHHBKLMA-UHFFFAOYSA-N 1 2 298.390 2.209 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000894043210 629099976 /nfs/dbraw/zinc/09/99/76/629099976.db2.gz FDODJTHVWKYQRH-LLVKDONJSA-N 1 2 297.223 2.170 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000894043210 629099979 /nfs/dbraw/zinc/09/99/79/629099979.db2.gz FDODJTHVWKYQRH-LLVKDONJSA-N 1 2 297.223 2.170 20 10 CECDLO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000178849398 629186362 /nfs/dbraw/zinc/18/63/62/629186362.db2.gz HLSDAADPQQENMK-MRXNPFEDSA-N 1 2 297.354 2.492 20 10 CECDLO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1O ZINC000178849398 629186366 /nfs/dbraw/zinc/18/63/66/629186366.db2.gz HLSDAADPQQENMK-MRXNPFEDSA-N 1 2 297.354 2.492 20 10 CECDLO COc1cc(C)cc(C[N@H+](C)Cc2nnc(C)o2)c1O ZINC000895251361 630061154 /nfs/dbraw/zinc/06/11/54/630061154.db2.gz RJVOJILZEDNFHV-UHFFFAOYSA-N 1 2 277.324 2.033 20 10 CECDLO COc1cc(C)cc(C[N@@H+](C)Cc2nnc(C)o2)c1O ZINC000895251361 630061159 /nfs/dbraw/zinc/06/11/59/630061159.db2.gz RJVOJILZEDNFHV-UHFFFAOYSA-N 1 2 277.324 2.033 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897849053 631944148 /nfs/dbraw/zinc/94/41/48/631944148.db2.gz UVVLQYXTLJNLQI-QDYJBQRPSA-N 1 2 271.719 2.188 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897849051 631944825 /nfs/dbraw/zinc/94/48/25/631944825.db2.gz UVVLQYXTLJNLQI-DMLGSKKGSA-N 1 2 271.719 2.188 20 10 CECDLO OCCC1CC([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000898008296 631999019 /nfs/dbraw/zinc/99/90/19/631999019.db2.gz MKMFYBNJDQEQNC-UHFFFAOYSA-N 1 2 273.735 2.435 20 10 CECDLO COc1cccc(O)c1CNCC[N@@H+]1CCC(C)(C)C1 ZINC000898035506 632030479 /nfs/dbraw/zinc/03/04/79/632030479.db2.gz SHJSCVABPSPXLY-UHFFFAOYSA-N 1 2 278.396 2.222 20 10 CECDLO COc1cccc(O)c1CNCC[N@H+]1CCC(C)(C)C1 ZINC000898035506 632030484 /nfs/dbraw/zinc/03/04/84/632030484.db2.gz SHJSCVABPSPXLY-UHFFFAOYSA-N 1 2 278.396 2.222 20 10 CECDLO Cc1nonc1C[NH2+]Cc1cccc(Cl)c1O ZINC000809745653 632138677 /nfs/dbraw/zinc/13/86/77/632138677.db2.gz YNGXBJWMEZOZBO-UHFFFAOYSA-N 1 2 253.689 2.027 20 10 CECDLO CC[NH2+][C@H](C)CN[C@@H](C)c1cc(F)cc(F)c1O ZINC000817974097 633817531 /nfs/dbraw/zinc/81/75/31/633817531.db2.gz YJVNMXSONDIMNH-BDAKNGLRSA-N 1 2 258.312 2.319 20 10 CECDLO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000820041123 634320146 /nfs/dbraw/zinc/32/01/46/634320146.db2.gz FFXWMEXJZDSISC-HUUCEWRRSA-N 1 2 298.390 2.204 20 10 CECDLO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000820041123 634320149 /nfs/dbraw/zinc/32/01/49/634320149.db2.gz FFXWMEXJZDSISC-HUUCEWRRSA-N 1 2 298.390 2.204 20 10 CECDLO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1cc(F)cc(F)c1O ZINC000903319429 635054455 /nfs/dbraw/zinc/05/44/55/635054455.db2.gz ZFEUBZNZJCAFFE-SCZZXKLOSA-N 1 2 256.296 2.025 20 10 CECDLO COC(=O)[C@H](C)[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825754096 635708258 /nfs/dbraw/zinc/70/82/58/635708258.db2.gz ZUKWEIROZXBPON-VIFPVBQESA-N 1 2 271.744 2.347 20 10 CECDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825754096 635708263 /nfs/dbraw/zinc/70/82/63/635708263.db2.gz ZUKWEIROZXBPON-VIFPVBQESA-N 1 2 271.744 2.347 20 10 CECDLO CO[C@@]1(CO)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000826952713 636170525 /nfs/dbraw/zinc/17/05/25/636170525.db2.gz QIMOGNSPILDBLU-AWEZNQCLSA-N 1 2 285.771 2.019 20 10 CECDLO CO[C@@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000826952713 636170535 /nfs/dbraw/zinc/17/05/35/636170535.db2.gz QIMOGNSPILDBLU-AWEZNQCLSA-N 1 2 285.771 2.019 20 10 CECDLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1O ZINC000827952374 636467946 /nfs/dbraw/zinc/46/79/46/636467946.db2.gz PWLZQQSKUFKFQT-NWDGAFQWSA-N 1 2 273.336 2.417 20 10 CECDLO CCOc1cccc(C[N@@H+]2CCCc3[nH]ncc3C2)c1O ZINC000828013940 636486286 /nfs/dbraw/zinc/48/62/86/636486286.db2.gz PEQDUZLOIDYZLV-UHFFFAOYSA-N 1 2 287.363 2.462 20 10 CECDLO CCOc1cccc(C[N@H+]2CCCc3[nH]ncc3C2)c1O ZINC000828013940 636486288 /nfs/dbraw/zinc/48/62/88/636486288.db2.gz PEQDUZLOIDYZLV-UHFFFAOYSA-N 1 2 287.363 2.462 20 10 CECDLO COc1cc(C)cc(C[N@H+](C)CC(=O)OC(C)(C)C)c1O ZINC000164364747 639365142 /nfs/dbraw/zinc/36/51/42/639365142.db2.gz UZLSNOQEFPDKPI-UHFFFAOYSA-N 1 2 295.379 2.483 20 10 CECDLO COc1cc(C)cc(C[N@@H+](C)CC(=O)OC(C)(C)C)c1O ZINC000164364747 639365159 /nfs/dbraw/zinc/36/51/59/639365159.db2.gz UZLSNOQEFPDKPI-UHFFFAOYSA-N 1 2 295.379 2.483 20 10 CECDLO Cc1cc(C)c(CNC(=O)NCCc2ccc(N)cc2)c[nH+]1 ZINC000841913427 639904783 /nfs/dbraw/zinc/90/47/83/639904783.db2.gz NHDKBMUSJVIUQO-UHFFFAOYSA-N 1 2 298.390 2.323 20 10 CECDLO COC(=O)[C@H](CC(C)(C)C)[NH2+]Cc1cccc(OC)c1O ZINC000843423822 640424255 /nfs/dbraw/zinc/42/42/55/640424255.db2.gz RMHSLEGVQGEVTI-LBPRGKRZSA-N 1 2 295.379 2.468 20 10 CECDLO COC(=O)[C@H]([NH2+]Cc1ccccc1O)C(C)(C)C ZINC000083385028 642064555 /nfs/dbraw/zinc/06/45/55/642064555.db2.gz ZQQGSKXYYJWDPA-LBPRGKRZSA-N 1 2 251.326 2.070 20 10 CECDLO COc1ccc(N2CC[NH+](CC3(F)CC3)CC2)c(OC)c1 ZINC000877708778 650863470 /nfs/dbraw/zinc/86/34/70/650863470.db2.gz WCVYWSSSVCTNIA-UHFFFAOYSA-N 1 2 294.370 2.328 20 10 CECDLO C[C@@H](NCC12CC(C1)C[NH2+]2)c1cc(F)cc(F)c1O ZINC000854227379 644016067 /nfs/dbraw/zinc/01/60/67/644016067.db2.gz NUMOUIBRDDDNTL-NQTXRORDSA-N 1 2 268.307 2.073 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000877811405 650917973 /nfs/dbraw/zinc/91/79/73/650917973.db2.gz JHBAIYZSDNVBRM-GVJMRKKJSA-N 1 2 259.708 2.045 20 10 CECDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc(F)cc(F)c1O ZINC000756395851 644643578 /nfs/dbraw/zinc/64/35/78/644643578.db2.gz ZRQMKRNZELWUTK-QMMMGPOBSA-N 1 2 294.305 2.059 20 10 CECDLO CCN1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)CC1=O ZINC000758277192 644912850 /nfs/dbraw/zinc/91/28/50/644912850.db2.gz SNLIXNLHXWXOAT-UHFFFAOYSA-N 1 2 290.407 2.488 20 10 CECDLO CCN1CC[N@@H+](Cc2cc(C(C)C)c(C)cc2O)CC1=O ZINC000758277192 644912852 /nfs/dbraw/zinc/91/28/52/644912852.db2.gz SNLIXNLHXWXOAT-UHFFFAOYSA-N 1 2 290.407 2.488 20 10 CECDLO C[C@H]1CCN(C(=O)C2=CC(=O)CS2)C[C@@H]1n1cc[nH+]c1 ZINC000759469550 645031176 /nfs/dbraw/zinc/03/11/76/645031176.db2.gz LQYUCGXBKDZYHD-JQWIXIFHSA-N 1 2 291.376 2.374 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@H](O)C1CC1 ZINC000809753053 645218791 /nfs/dbraw/zinc/21/87/91/645218791.db2.gz ZIVXOQCRFSWNEA-LBPRGKRZSA-N 1 2 255.745 2.248 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@H](O)C1CC1 ZINC000809753053 645218794 /nfs/dbraw/zinc/21/87/94/645218794.db2.gz ZIVXOQCRFSWNEA-LBPRGKRZSA-N 1 2 255.745 2.248 20 10 CECDLO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000761222468 645259295 /nfs/dbraw/zinc/25/92/95/645259295.db2.gz JCJPYBZWUSGKCB-QWHCGFSZSA-N 1 2 285.771 2.329 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[S@]1=O ZINC000763488831 645550831 /nfs/dbraw/zinc/55/08/31/645550831.db2.gz FHIHVIYVTUNPMY-MLCYQJTMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[S@]1=O ZINC000763488831 645550835 /nfs/dbraw/zinc/55/08/35/645550835.db2.gz FHIHVIYVTUNPMY-MLCYQJTMSA-N 1 2 287.812 2.389 20 10 CECDLO OCC[C@@H]([NH2+]Cc1cccc(Cl)c1O)C1CCOCC1 ZINC000764677111 645673831 /nfs/dbraw/zinc/67/38/31/645673831.db2.gz FRSKBYBLMLLMAB-CQSZACIVSA-N 1 2 299.798 2.313 20 10 CECDLO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2O)C1=O ZINC000864050580 646871181 /nfs/dbraw/zinc/87/11/81/646871181.db2.gz KXIHVVBDTFBJFF-LLVKDONJSA-N 1 2 298.333 2.159 20 10 CECDLO OCC[N@@H+](Cc1cccc(Cl)c1O)CC1CC1 ZINC000775662859 646977359 /nfs/dbraw/zinc/97/73/59/646977359.db2.gz WRGMCVIEONXZOE-UHFFFAOYSA-N 1 2 255.745 2.250 20 10 CECDLO OCC[N@H+](Cc1cccc(Cl)c1O)CC1CC1 ZINC000775662859 646977362 /nfs/dbraw/zinc/97/73/62/646977362.db2.gz WRGMCVIEONXZOE-UHFFFAOYSA-N 1 2 255.745 2.250 20 10 CECDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)CC(C)(C)O ZINC000775699455 646982359 /nfs/dbraw/zinc/98/23/59/646982359.db2.gz DGWISOWNRPTIIT-UHFFFAOYSA-N 1 2 261.724 2.387 20 10 CECDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)CC(C)(C)O ZINC000775699455 646982361 /nfs/dbraw/zinc/98/23/61/646982361.db2.gz DGWISOWNRPTIIT-UHFFFAOYSA-N 1 2 261.724 2.387 20 10 CECDLO C[C@@]1(O)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775734149 646985878 /nfs/dbraw/zinc/98/58/78/646985878.db2.gz LUHDCBKXQDPUJB-GFCCVEGCSA-N 1 2 259.708 2.141 20 10 CECDLO C[C@@]1(O)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775734149 646985881 /nfs/dbraw/zinc/98/58/81/646985881.db2.gz LUHDCBKXQDPUJB-GFCCVEGCSA-N 1 2 259.708 2.141 20 10 CECDLO C[C@@H]([NH2+]CC1(CCO)CC1)c1cc(F)cc(F)c1O ZINC000779086072 647286591 /nfs/dbraw/zinc/28/65/91/647286591.db2.gz ULTNRAPGVVKLFK-SECBINFHSA-N 1 2 271.307 2.484 20 10 CECDLO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000780787559 647471025 /nfs/dbraw/zinc/47/10/25/647471025.db2.gz VYBROLNIGNDUBS-BDAKNGLRSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000780787559 647471027 /nfs/dbraw/zinc/47/10/27/647471027.db2.gz VYBROLNIGNDUBS-BDAKNGLRSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H]1CCCN(CC[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882891294 652252253 /nfs/dbraw/zinc/25/22/53/652252253.db2.gz SQBIGORQXNSTRC-NSHDSACASA-N 1 2 284.350 2.492 20 10 CECDLO COC[C@H](CC[NH2+]Cc1cccc(Cl)c1O)OC ZINC000694289327 803526907 /nfs/dbraw/zinc/52/69/07/803526907.db2.gz SDYFKMSPGKXFPU-NSHDSACASA-N 1 2 273.760 2.187 20 10 CECDLO CC[N@@H+](Cc1cc(Cl)c(O)cc1O)[C@@H](C)C(=O)OC ZINC001232265053 807240023 /nfs/dbraw/zinc/24/00/23/807240023.db2.gz OACRVTFRVWKOBN-QMMMGPOBSA-N 1 2 287.743 2.135 20 10 CECDLO CC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335255 807396788 /nfs/dbraw/zinc/39/67/88/807396788.db2.gz NRIWLHJAYPLJDU-SNVBAGLBSA-N 1 2 269.291 2.471 20 10 CECDLO CC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335255 807396798 /nfs/dbraw/zinc/39/67/98/807396798.db2.gz NRIWLHJAYPLJDU-SNVBAGLBSA-N 1 2 269.291 2.471 20 10 CECDLO CCn1nc(C)c(C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000922195888 809063911 /nfs/dbraw/zinc/06/39/11/809063911.db2.gz GFSXBBVTGIJVJF-UHFFFAOYSA-N 1 2 286.379 2.221 20 10 CECDLO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)c(F)c1O ZINC000703457315 809650814 /nfs/dbraw/zinc/65/08/14/809650814.db2.gz CNZPWXQEOSMULM-PWSUYJOCSA-N 1 2 282.334 2.339 20 10 CECDLO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(F)c(F)c1O ZINC000703457315 809650817 /nfs/dbraw/zinc/65/08/17/809650817.db2.gz CNZPWXQEOSMULM-PWSUYJOCSA-N 1 2 282.334 2.339 20 10 CECDLO C[C@@H]1COCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703558473 809663083 /nfs/dbraw/zinc/66/30/83/809663083.db2.gz YKBUIRYCSDTGDV-VIFPVBQESA-N 1 2 257.280 2.139 20 10 CECDLO CC(C)[C@H]1COCC[N@@H+]1Cc1c(O)cccc1F ZINC001137838809 809812363 /nfs/dbraw/zinc/81/23/63/809812363.db2.gz KUGHZYRUFILNIO-CYBMUJFWSA-N 1 2 253.317 2.388 20 10 CECDLO CC(C)[C@H]1COCC[N@H+]1Cc1c(O)cccc1F ZINC001137838809 809812366 /nfs/dbraw/zinc/81/23/66/809812366.db2.gz KUGHZYRUFILNIO-CYBMUJFWSA-N 1 2 253.317 2.388 20 10 CECDLO C[C@@]1([NH2+]Cc2cc(F)cc(F)c2O)CCCOC1 ZINC000708438207 809931296 /nfs/dbraw/zinc/93/12/96/809931296.db2.gz VSNOWOGGVAZERA-CYBMUJFWSA-N 1 2 257.280 2.329 20 10 CECDLO Cc1nc2c(ccn2C)c(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001169990671 811852509 /nfs/dbraw/zinc/85/25/09/811852509.db2.gz LLLDCTFQPYLFDS-UHFFFAOYSA-N 1 2 284.319 2.300 20 10 CECDLO Cn1c2ccccc2c(-c2ccc[nH+]c2N)cc1=O ZINC001243478374 812429131 /nfs/dbraw/zinc/42/91/31/812429131.db2.gz XKGMOZUOQCRMOH-UHFFFAOYSA-N 1 2 251.289 2.183 20 10 CECDLO Cc1cc(C[N@H+](C)Cc2ncccn2)ccc1N(C)C ZINC001139669691 815620170 /nfs/dbraw/zinc/62/01/70/815620170.db2.gz HOFXGCIDDZWYGY-UHFFFAOYSA-N 1 2 270.380 2.483 20 10 CECDLO Cc1cc(C[N@@H+](C)Cc2ncccn2)ccc1N(C)C ZINC001139669691 815620174 /nfs/dbraw/zinc/62/01/74/815620174.db2.gz HOFXGCIDDZWYGY-UHFFFAOYSA-N 1 2 270.380 2.483 20 10 CECDLO CN1C[C@H]2[C@H](C1)CCC[N@H+]2Cc1c(O)cccc1F ZINC001137838898 815694379 /nfs/dbraw/zinc/69/43/79/815694379.db2.gz MEERLONKGVDFAF-FZMZJTMJSA-N 1 2 264.344 2.057 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCCC1=O ZINC001138122530 815732126 /nfs/dbraw/zinc/73/21/26/815732126.db2.gz LEQPUTUJTLHVMF-SNVBAGLBSA-N 1 2 251.301 2.332 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001139683061 816082626 /nfs/dbraw/zinc/08/26/26/816082626.db2.gz FSRFINMXAJPIQX-LLVKDONJSA-N 1 2 282.334 2.341 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001139683061 816082632 /nfs/dbraw/zinc/08/26/32/816082632.db2.gz FSRFINMXAJPIQX-LLVKDONJSA-N 1 2 282.334 2.341 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCOCC12CC2 ZINC001140342061 816237936 /nfs/dbraw/zinc/23/79/36/816237936.db2.gz RLKMAEZGKDMYGQ-UHFFFAOYSA-N 1 2 253.729 2.410 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCOCC12CC2 ZINC001140342061 816237944 /nfs/dbraw/zinc/23/79/44/816237944.db2.gz RLKMAEZGKDMYGQ-UHFFFAOYSA-N 1 2 253.729 2.410 20 10 CECDLO CN1CC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)C[C@H]21 ZINC001140341600 816238574 /nfs/dbraw/zinc/23/85/74/816238574.db2.gz YSQUOHPBLXVQTA-GXFFZTMASA-N 1 2 266.772 2.182 20 10 CECDLO CN1CC[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@H]21 ZINC001140341600 816238579 /nfs/dbraw/zinc/23/85/79/816238579.db2.gz YSQUOHPBLXVQTA-GXFFZTMASA-N 1 2 266.772 2.182 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC001142527006 816680361 /nfs/dbraw/zinc/68/03/61/816680361.db2.gz GBLSLEKSKKUVCV-UHFFFAOYSA-N 1 2 299.317 2.052 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC001142527006 816680365 /nfs/dbraw/zinc/68/03/65/816680365.db2.gz GBLSLEKSKKUVCV-UHFFFAOYSA-N 1 2 299.317 2.052 20 10 CECDLO CC(C)NC(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000036781609 361858322 /nfs/dbraw/zinc/85/83/22/361858322.db2.gz LXMVLNNDUBYBNU-UHFFFAOYSA-N 1 2 291.178 2.313 20 10 CECDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179637618 368345878 /nfs/dbraw/zinc/34/58/78/368345878.db2.gz BPBOKTMEHGSCOV-LBPRGKRZSA-N 1 2 282.771 2.098 20 10 CECDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179637618 368345885 /nfs/dbraw/zinc/34/58/85/368345885.db2.gz BPBOKTMEHGSCOV-LBPRGKRZSA-N 1 2 282.771 2.098 20 10 CECDLO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000179643820 368346040 /nfs/dbraw/zinc/34/60/40/368346040.db2.gz LWLDCHSRYOGSDJ-NSHDSACASA-N 1 2 283.755 2.431 20 10 CECDLO COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000179643820 368346048 /nfs/dbraw/zinc/34/60/48/368346048.db2.gz LWLDCHSRYOGSDJ-NSHDSACASA-N 1 2 283.755 2.431 20 10 CECDLO Oc1c(Cl)cccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000179665738 368346078 /nfs/dbraw/zinc/34/60/78/368346078.db2.gz RGBIHIPQGKLRJX-UHFFFAOYSA-N 1 2 283.755 2.385 20 10 CECDLO Oc1c(Cl)cccc1C[NH+]1CCN(CC(F)F)CC1 ZINC000271722440 373199816 /nfs/dbraw/zinc/19/98/16/373199816.db2.gz KMFPFXQJKILOPC-UHFFFAOYSA-N 1 2 290.741 2.428 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC000271993496 373252131 /nfs/dbraw/zinc/25/21/31/373252131.db2.gz SEWYZFPIQKAXKG-BXKDBHETSA-N 1 2 255.745 2.248 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC000271993496 373252135 /nfs/dbraw/zinc/25/21/35/373252135.db2.gz SEWYZFPIQKAXKG-BXKDBHETSA-N 1 2 255.745 2.248 20 10 CECDLO COC(=O)[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000272963239 373734021 /nfs/dbraw/zinc/73/40/21/373734021.db2.gz AYJNRQRCCPDSKZ-XPTSAGLGSA-N 1 2 279.336 2.003 20 10 CECDLO CC[N@H+](CCC1OCCO1)c1ccc(OC)cc1 ZINC000274422636 373918487 /nfs/dbraw/zinc/91/84/87/373918487.db2.gz FFLQVXPCYDCVHM-UHFFFAOYSA-N 1 2 251.326 2.285 20 10 CECDLO CC[N@@H+](CCC1OCCO1)c1ccc(OC)cc1 ZINC000274422636 373918495 /nfs/dbraw/zinc/91/84/95/373918495.db2.gz FFLQVXPCYDCVHM-UHFFFAOYSA-N 1 2 251.326 2.285 20 10 CECDLO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1ncn(C)n1 ZINC000275700228 374217232 /nfs/dbraw/zinc/21/72/32/374217232.db2.gz KPQWOARCLNKIKC-VXGBXAGGSA-N 1 2 273.384 2.293 20 10 CECDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@@](=O)C1 ZINC000277434126 374518759 /nfs/dbraw/zinc/51/87/59/374518759.db2.gz JRAZDKYESPOOOZ-FKIZINRSSA-N 1 2 298.427 2.092 20 10 CECDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@@](=O)C1 ZINC000277434126 374518765 /nfs/dbraw/zinc/51/87/65/374518765.db2.gz JRAZDKYESPOOOZ-FKIZINRSSA-N 1 2 298.427 2.092 20 10 CECDLO COc1cccc2c1CCCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492888740 380720037 /nfs/dbraw/zinc/72/00/37/380720037.db2.gz BXTMNCZABJEXCM-FPLPWBNLSA-N 1 2 283.331 2.411 20 10 CECDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)NC(C)(C)C ZINC000135761309 394967964 /nfs/dbraw/zinc/96/79/64/394967964.db2.gz IMGHVVWGPISACA-SECBINFHSA-N 1 2 284.787 2.438 20 10 CECDLO O=C1NCC[N@@H+](Cc2ccccc2O)[C@@H]1c1cccs1 ZINC000376166478 395110921 /nfs/dbraw/zinc/11/09/21/395110921.db2.gz LZDRGPYAXGCDIF-CQSZACIVSA-N 1 2 288.372 2.127 20 10 CECDLO O=C1NCC[N@H+](Cc2ccccc2O)[C@@H]1c1cccs1 ZINC000376166478 395110925 /nfs/dbraw/zinc/11/09/25/395110925.db2.gz LZDRGPYAXGCDIF-CQSZACIVSA-N 1 2 288.372 2.127 20 10 CECDLO COc1c(O)c(C[N@@H+]2CCC[C@@H]2CF)ccc1[N+](=O)[O-] ZINC000293864901 395254873 /nfs/dbraw/zinc/25/48/73/395254873.db2.gz CGEXWZOZBSVZQV-SNVBAGLBSA-N 1 2 284.287 2.243 20 10 CECDLO COc1c(O)c(C[N@H+]2CCC[C@@H]2CF)ccc1[N+](=O)[O-] ZINC000293864901 395254876 /nfs/dbraw/zinc/25/48/76/395254876.db2.gz CGEXWZOZBSVZQV-SNVBAGLBSA-N 1 2 284.287 2.243 20 10 CECDLO C[C@@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000035601758 172291283 /nfs/dbraw/zinc/29/12/83/172291283.db2.gz CCVJLHZVJCVBFG-ZCFIWIBFSA-N 1 2 250.125 2.169 20 10 CECDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000365442382 300084700 /nfs/dbraw/zinc/08/47/00/300084700.db2.gz JWRXJAHHMXFBRZ-YUNKPMOVSA-N 1 2 298.427 2.235 20 10 CECDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000365442382 300084701 /nfs/dbraw/zinc/08/47/01/300084701.db2.gz JWRXJAHHMXFBRZ-YUNKPMOVSA-N 1 2 298.427 2.235 20 10 CECDLO COc1ccc(O)c([C@@H](C)[N@@H+]2CC(F)(F)C[C@H]2CO)c1 ZINC000368035249 267139128 /nfs/dbraw/zinc/13/91/28/267139128.db2.gz FFASVPOUEBDZAE-ZJUUUORDSA-N 1 2 287.306 2.164 20 10 CECDLO COc1ccc(O)c([C@@H](C)[N@H+]2CC(F)(F)C[C@H]2CO)c1 ZINC000368035249 267139132 /nfs/dbraw/zinc/13/91/32/267139132.db2.gz FFASVPOUEBDZAE-ZJUUUORDSA-N 1 2 287.306 2.164 20 10 CECDLO CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1=O ZINC000276898533 279550383 /nfs/dbraw/zinc/55/03/83/279550383.db2.gz ISWRPQBSDVKHPX-ZJUUUORDSA-N 1 2 298.333 2.330 20 10 CECDLO CCn1nncc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000527727657 330277783 /nfs/dbraw/zinc/27/77/83/330277783.db2.gz IXHOIRDBLQMABT-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2c1cc(F)cc2F ZINC000492772128 332412883 /nfs/dbraw/zinc/41/28/83/332412883.db2.gz SOZBFTQORLSMCM-UPHRSURJSA-N 1 2 275.258 2.290 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1O ZINC000156367534 518287866 /nfs/dbraw/zinc/28/78/66/518287866.db2.gz RFURAEGLFNIJKG-ONGXEEELSA-N 1 2 281.327 2.343 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1O ZINC000156367534 518287868 /nfs/dbraw/zinc/28/78/68/518287868.db2.gz RFURAEGLFNIJKG-ONGXEEELSA-N 1 2 281.327 2.343 20 10 CECDLO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000276856050 526978392 /nfs/dbraw/zinc/97/83/92/526978392.db2.gz VYZYEHOQUHTYGC-LBPRGKRZSA-N 1 2 294.782 2.242 20 10 CECDLO O=C1CCCN1[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000276856050 526978397 /nfs/dbraw/zinc/97/83/97/526978397.db2.gz VYZYEHOQUHTYGC-LBPRGKRZSA-N 1 2 294.782 2.242 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000753436313 575326402 /nfs/dbraw/zinc/32/64/02/575326402.db2.gz ZQSZOHIEPWQXKI-SECBINFHSA-N 1 2 263.322 2.154 20 10 CECDLO Cc1noc([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000725843071 625631771 /nfs/dbraw/zinc/63/17/71/625631771.db2.gz QTBHECKQBJJBHP-VIFPVBQESA-N 1 2 259.309 2.164 20 10 CECDLO COC[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000840917421 628492177 /nfs/dbraw/zinc/49/21/77/628492177.db2.gz KBJUHCWAFMRMBX-NSHDSACASA-N 1 2 285.771 2.201 20 10 CECDLO COC[C@@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000840917421 628492181 /nfs/dbraw/zinc/49/21/81/628492181.db2.gz KBJUHCWAFMRMBX-NSHDSACASA-N 1 2 285.771 2.201 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000893994717 629074809 /nfs/dbraw/zinc/07/48/09/629074809.db2.gz NMYACRZKYDQHMH-CYBMUJFWSA-N 1 2 299.317 2.398 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000893994717 629074813 /nfs/dbraw/zinc/07/48/13/629074813.db2.gz NMYACRZKYDQHMH-CYBMUJFWSA-N 1 2 299.317 2.398 20 10 CECDLO COC(=O)[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(C)(C)C ZINC000894422191 629457460 /nfs/dbraw/zinc/45/74/60/629457460.db2.gz ICXOJPFYXOFEFO-AWEZNQCLSA-N 1 2 295.379 2.387 20 10 CECDLO OC[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000895151636 629968098 /nfs/dbraw/zinc/96/80/98/629968098.db2.gz VMBRJRWDJLTGIX-NSHDSACASA-N 1 2 271.307 2.407 20 10 CECDLO OC[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000895151636 629968099 /nfs/dbraw/zinc/96/80/99/629968099.db2.gz VMBRJRWDJLTGIX-NSHDSACASA-N 1 2 271.307 2.407 20 10 CECDLO C[C@@]12COC[C@H]1C[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895274783 630072770 /nfs/dbraw/zinc/07/27/70/630072770.db2.gz KLHBWJMMZZRECR-QMTHXVAHSA-N 1 2 269.291 2.139 20 10 CECDLO C[C@@]12COC[C@H]1C[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895274783 630072774 /nfs/dbraw/zinc/07/27/74/630072774.db2.gz KLHBWJMMZZRECR-QMTHXVAHSA-N 1 2 269.291 2.139 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cc(F)cc(F)c1O ZINC000806170277 631724782 /nfs/dbraw/zinc/72/47/82/631724782.db2.gz PPCGYARHWYMXEG-DTWKUNHWSA-N 1 2 258.312 2.271 20 10 CECDLO CCC[C@@H]([NH2+]Cc1cccc(CC)c1O)C(=O)OC ZINC000897834471 631937395 /nfs/dbraw/zinc/93/73/95/631937395.db2.gz PXUXJMYZPNEADR-CYBMUJFWSA-N 1 2 265.353 2.386 20 10 CECDLO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000898189422 632103536 /nfs/dbraw/zinc/10/35/36/632103536.db2.gz SNXUIFGOVVDZTB-HFZJXRFXSA-N 1 2 278.371 2.171 20 10 CECDLO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000898189422 632103541 /nfs/dbraw/zinc/10/35/41/632103541.db2.gz SNXUIFGOVVDZTB-HFZJXRFXSA-N 1 2 278.371 2.171 20 10 CECDLO COC[C@H]1CC[N@H+]1Cc1cccc(Br)c1O ZINC000816637057 633453784 /nfs/dbraw/zinc/45/37/84/633453784.db2.gz PTRVPCFBESWIKQ-SNVBAGLBSA-N 1 2 286.169 2.375 20 10 CECDLO C[C@H]([NH2+][C@H](CN)C1CC1)c1cc(Cl)ccc1O ZINC000817959428 633800545 /nfs/dbraw/zinc/80/05/45/633800545.db2.gz FWPAWXKWAIFRKX-QPUJVOFHSA-N 1 2 254.761 2.434 20 10 CECDLO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1cc(F)cc(F)c1O ZINC000903301540 635049234 /nfs/dbraw/zinc/04/92/34/635049234.db2.gz RGXXCPKLGSMFBO-MWODSPESSA-N 1 2 270.323 2.414 20 10 CECDLO O=C(Cc1[nH]cc[nH+]1)NCc1ccc(N2CCCCC2)cc1 ZINC000824261382 635391099 /nfs/dbraw/zinc/39/10/99/635391099.db2.gz BROPMMHVJCJGIP-UHFFFAOYSA-N 1 2 298.390 2.259 20 10 CECDLO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000825183627 635587127 /nfs/dbraw/zinc/58/71/27/635587127.db2.gz OLANIPQVHUZLML-UFBFGSQYSA-N 1 2 273.735 2.435 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826845315 635859140 /nfs/dbraw/zinc/85/91/40/635859140.db2.gz ITFALIQXEGEFTJ-NSHDSACASA-N 1 2 292.770 2.159 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826845315 635859146 /nfs/dbraw/zinc/85/91/46/635859146.db2.gz ITFALIQXEGEFTJ-NSHDSACASA-N 1 2 292.770 2.159 20 10 CECDLO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1O ZINC000827969840 636475043 /nfs/dbraw/zinc/47/50/43/636475043.db2.gz SAFJLXRTESGFGY-NWDGAFQWSA-N 1 2 285.347 2.029 20 10 CECDLO CCOC(=O)C[N@H+](Cc1c(C)cccc1O)C1CC1 ZINC000876608616 650357435 /nfs/dbraw/zinc/35/74/35/650357435.db2.gz BYRBMIAAABGCCG-UHFFFAOYSA-N 1 2 263.337 2.228 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1c(C)cccc1O)C1CC1 ZINC000876608616 650357438 /nfs/dbraw/zinc/35/74/38/650357438.db2.gz BYRBMIAAABGCCG-UHFFFAOYSA-N 1 2 263.337 2.228 20 10 CECDLO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(F)cc(F)c1O ZINC000834904792 637982840 /nfs/dbraw/zinc/98/28/40/637982840.db2.gz CTVMWZLIRMWRGC-AMIZOPFISA-N 1 2 271.307 2.482 20 10 CECDLO C[C@H](C[C@H](C)O)[NH2+]Cc1cccc(Br)c1O ZINC000164499157 639377942 /nfs/dbraw/zinc/37/79/42/639377942.db2.gz JRKIYGVWWQLXSL-BDAKNGLRSA-N 1 2 288.185 2.404 20 10 CECDLO NC(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000158091862 639569424 /nfs/dbraw/zinc/56/94/24/639569424.db2.gz FSQZGMJKBANCPK-UHFFFAOYSA-N 1 2 290.750 2.434 20 10 CECDLO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000841048959 639632185 /nfs/dbraw/zinc/63/21/85/639632185.db2.gz IDMPBVDBLRWYMN-GFCCVEGCSA-N 1 2 299.212 2.290 20 10 CECDLO Nc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000841297015 639731138 /nfs/dbraw/zinc/73/11/38/639731138.db2.gz KPMCSWYUONYGKF-OAHLLOKOSA-N 1 2 298.346 2.349 20 10 CECDLO Cc1cccn2c(C=C3SC(=S)NC3=O)c[nH+]c12 ZINC000172690805 639787225 /nfs/dbraw/zinc/78/72/25/639787225.db2.gz OSEZLZXHTPZHHU-WEVVVXLNSA-N 1 2 275.358 2.132 20 10 CECDLO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000842928898 640222534 /nfs/dbraw/zinc/22/25/34/640222534.db2.gz KSXGPGLWFDXTHH-NQMVMOMDSA-N 1 2 257.280 2.498 20 10 CECDLO CC(C)(C[NH2+]Cc1cccc(Cl)c1O)[C@]1(O)CCOC1 ZINC000843429234 640427838 /nfs/dbraw/zinc/42/78/38/640427838.db2.gz XSWWSNAQMINPNY-HNNXBMFYSA-N 1 2 299.798 2.313 20 10 CECDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CO1 ZINC000843432997 640429621 /nfs/dbraw/zinc/42/96/21/640429621.db2.gz TUZPDRZHDCLMPA-OIBJUYFYSA-N 1 2 259.708 2.452 20 10 CECDLO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000846027479 641157379 /nfs/dbraw/zinc/15/73/79/641157379.db2.gz PYDIXNGWCLXASC-UHFFFAOYSA-N 1 2 287.718 2.370 20 10 CECDLO Cc1noc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)n1 ZINC000847088341 641563929 /nfs/dbraw/zinc/56/39/29/641563929.db2.gz XAWFZLAXCWHJFN-UHFFFAOYSA-N 1 2 274.368 2.384 20 10 CECDLO Cc1noc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)n1 ZINC000847088341 641563933 /nfs/dbraw/zinc/56/39/33/641563933.db2.gz XAWFZLAXCWHJFN-UHFFFAOYSA-N 1 2 274.368 2.384 20 10 CECDLO OCC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877434640 650718877 /nfs/dbraw/zinc/71/88/77/650718877.db2.gz IKOLJLJKPKOAAG-JTQLQIEISA-N 1 2 257.280 2.017 20 10 CECDLO OCC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877434640 650718880 /nfs/dbraw/zinc/71/88/80/650718880.db2.gz IKOLJLJKPKOAAG-JTQLQIEISA-N 1 2 257.280 2.017 20 10 CECDLO C[C@H]([NH2+]CCCO)c1cc(Br)cc(F)c1O ZINC000134903971 642118240 /nfs/dbraw/zinc/11/82/40/642118240.db2.gz SELSMXPZGFJZKB-ZETCQYMHSA-N 1 2 292.148 2.327 20 10 CECDLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877540723 650777023 /nfs/dbraw/zinc/77/70/23/650777023.db2.gz ATEVWJNKERCCAN-JTQLQIEISA-N 1 2 257.280 2.016 20 10 CECDLO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877540723 650777025 /nfs/dbraw/zinc/77/70/25/650777025.db2.gz ATEVWJNKERCCAN-JTQLQIEISA-N 1 2 257.280 2.016 20 10 CECDLO CCn1cnnc1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756420354 644647845 /nfs/dbraw/zinc/64/78/45/644647845.db2.gz JIQPVSGRXIOTMY-MRVPVSSYSA-N 1 2 282.294 2.133 20 10 CECDLO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756585592 644672399 /nfs/dbraw/zinc/67/23/99/644672399.db2.gz KZTRVYOBLXVCBB-LKFCYVNXSA-N 1 2 289.322 2.109 20 10 CECDLO CC(C)N1C[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1=O ZINC000756736544 644688637 /nfs/dbraw/zinc/68/86/37/644688637.db2.gz IFGVPYXYCHFSMH-MWLCHTKSSA-N 1 2 298.333 2.330 20 10 CECDLO CCOc1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c(O)c1 ZINC000758504010 644935473 /nfs/dbraw/zinc/93/54/73/644935473.db2.gz GVBZAWKFURDFKP-ZDUSSCGKSA-N 1 2 287.363 2.161 20 10 CECDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCOC2=O)cc1 ZINC000857757564 644965416 /nfs/dbraw/zinc/96/54/16/644965416.db2.gz NCFCAIIEAKVVLS-OAHLLOKOSA-N 1 2 276.380 2.280 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H]2CCOC2=O)cc1 ZINC000857757564 644965422 /nfs/dbraw/zinc/96/54/22/644965422.db2.gz NCFCAIIEAKVVLS-OAHLLOKOSA-N 1 2 276.380 2.280 20 10 CECDLO C[N@H+](Cc1cn[nH]c1)Cc1c(O)cccc1Cl ZINC000769426131 646264865 /nfs/dbraw/zinc/26/48/65/646264865.db2.gz SRIAIMZVTCIAHC-UHFFFAOYSA-N 1 2 251.717 2.401 20 10 CECDLO C[N@@H+](Cc1cn[nH]c1)Cc1c(O)cccc1Cl ZINC000769426131 646264870 /nfs/dbraw/zinc/26/48/70/646264870.db2.gz SRIAIMZVTCIAHC-UHFFFAOYSA-N 1 2 251.717 2.401 20 10 CECDLO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000779190736 647295767 /nfs/dbraw/zinc/29/57/67/647295767.db2.gz GVRYDSKRUQBOKO-WDEREUQCSA-N 1 2 273.735 2.434 20 10 CECDLO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000788270794 648167838 /nfs/dbraw/zinc/16/78/38/648167838.db2.gz RURAHZQUSDUWCY-XCBNKYQSSA-N 1 2 259.708 2.140 20 10 CECDLO C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000788270794 648167839 /nfs/dbraw/zinc/16/78/39/648167839.db2.gz RURAHZQUSDUWCY-XCBNKYQSSA-N 1 2 259.708 2.140 20 10 CECDLO CN(C)C(C)(C)C[NH2+]Cc1cccc(Cl)c1O ZINC000124655065 649722913 /nfs/dbraw/zinc/72/29/13/649722913.db2.gz PJHVRQIUCNDYKT-UHFFFAOYSA-N 1 2 256.777 2.475 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000124806357 649746167 /nfs/dbraw/zinc/74/61/67/649746167.db2.gz JEPWHSMMPZHSPY-LLVKDONJSA-N 1 2 266.772 2.372 20 10 CECDLO NC(=O)C1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000124817869 649746772 /nfs/dbraw/zinc/74/67/72/649746772.db2.gz HPJPWNXKIKPYAZ-UHFFFAOYSA-N 1 2 282.771 2.179 20 10 CECDLO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000883355821 652440134 /nfs/dbraw/zinc/44/01/34/652440134.db2.gz YMHBIUJUFSLHBA-ONGXEEELSA-N 1 2 270.323 2.415 20 10 CECDLO Oc1cc(Cl)ccc1CN1CCn2c[nH+]cc2C1 ZINC001140464902 802946410 /nfs/dbraw/zinc/94/64/10/802946410.db2.gz FVTRZVOFLDDSLB-UHFFFAOYSA-N 1 2 263.728 2.258 20 10 CECDLO OC[C@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583098 803179064 /nfs/dbraw/zinc/17/90/64/803179064.db2.gz WCXOCPUZMAYDHO-JTQLQIEISA-N 1 2 271.307 2.265 20 10 CECDLO OC[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583098 803179067 /nfs/dbraw/zinc/17/90/67/803179067.db2.gz WCXOCPUZMAYDHO-JTQLQIEISA-N 1 2 271.307 2.265 20 10 CECDLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC001138127850 815734503 /nfs/dbraw/zinc/73/45/03/815734503.db2.gz RUYJKKNJGZBVET-CQSZACIVSA-N 1 2 294.370 2.412 20 10 CECDLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC001138127850 815734508 /nfs/dbraw/zinc/73/45/08/815734508.db2.gz RUYJKKNJGZBVET-CQSZACIVSA-N 1 2 294.370 2.412 20 10 CECDLO CC(C)CC(=O)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001138128670 815735201 /nfs/dbraw/zinc/73/52/01/815735201.db2.gz UFKHCBIEGDKKCB-UHFFFAOYSA-N 1 2 294.370 2.222 20 10 CECDLO COC[C@@H]1CC[N@@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129885 815964633 /nfs/dbraw/zinc/96/46/33/815964633.db2.gz JCDXJWPONXIBFE-NSHDSACASA-N 1 2 289.331 2.028 20 10 CECDLO COC[C@@H]1CC[N@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129885 815964640 /nfs/dbraw/zinc/96/46/40/815964640.db2.gz JCDXJWPONXIBFE-NSHDSACASA-N 1 2 289.331 2.028 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCOC2(CC2)C1 ZINC001140342486 816237435 /nfs/dbraw/zinc/23/74/35/816237435.db2.gz LMTNZXQYQZXVLM-UHFFFAOYSA-N 1 2 253.729 2.410 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCOC2(CC2)C1 ZINC001140342486 816237436 /nfs/dbraw/zinc/23/74/36/816237436.db2.gz LMTNZXQYQZXVLM-UHFFFAOYSA-N 1 2 253.729 2.410 20 10 CECDLO C[N@H+](C1CC1)[C@@H]1CCN(Cc2c(O)cc(F)cc2F)C1 ZINC001140584452 816293322 /nfs/dbraw/zinc/29/33/22/816293322.db2.gz RRDFKMJJOICEKY-GFCCVEGCSA-N 1 2 282.334 2.339 20 10 CECDLO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2c(O)cc(F)cc2F)C1 ZINC001140584452 816293325 /nfs/dbraw/zinc/29/33/25/816293325.db2.gz RRDFKMJJOICEKY-GFCCVEGCSA-N 1 2 282.334 2.339 20 10 CECDLO CN1CCOc2cc(C[N@@H+]3CCn4cccc4C3)ccc21 ZINC001141143040 816485990 /nfs/dbraw/zinc/48/59/90/816485990.db2.gz KUFOGFVMKYVPSS-UHFFFAOYSA-N 1 2 283.375 2.333 20 10 CECDLO CN1CCOc2cc(C[N@H+]3CCn4cccc4C3)ccc21 ZINC001141143040 816485993 /nfs/dbraw/zinc/48/59/93/816485993.db2.gz KUFOGFVMKYVPSS-UHFFFAOYSA-N 1 2 283.375 2.333 20 10 CECDLO Oc1ccc(O)c(C[NH+]2CC(Oc3ccccc3)C2)c1 ZINC001141159212 816490487 /nfs/dbraw/zinc/49/04/87/816490487.db2.gz CFXNUTLRFWZPDR-UHFFFAOYSA-N 1 2 271.316 2.361 20 10 CECDLO OCC[N@@H+](Cc1cccnc1)Cc1c(O)cccc1Cl ZINC000131796911 366089373 /nfs/dbraw/zinc/08/93/73/366089373.db2.gz OZNWJEONHDWODM-UHFFFAOYSA-N 1 2 292.766 2.435 20 10 CECDLO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc(F)ccc1O ZINC000359956883 371494680 /nfs/dbraw/zinc/49/46/80/371494680.db2.gz FZFTVIOIWVGDDL-CABZTGNLSA-N 1 2 275.327 2.463 20 10 CECDLO C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273363758 373753090 /nfs/dbraw/zinc/75/30/90/373753090.db2.gz DNZCJGQNOGYLKJ-GHMZBOCLSA-N 1 2 290.323 2.236 20 10 CECDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ncn(C)n1 ZINC000276140666 374226549 /nfs/dbraw/zinc/22/65/49/374226549.db2.gz DBEPFSIWAXEONB-QMMMGPOBSA-N 1 2 266.732 2.025 20 10 CECDLO CCOC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374323838 374541497 /nfs/dbraw/zinc/54/14/97/374541497.db2.gz JQOWKRPIGUTBSY-ZDUSSCGKSA-N 1 2 288.391 2.403 20 10 CECDLO CCOC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374323838 374541503 /nfs/dbraw/zinc/54/15/03/374541503.db2.gz JQOWKRPIGUTBSY-ZDUSSCGKSA-N 1 2 288.391 2.403 20 10 CECDLO C[N@H+](CCOCCO)Cc1cc(Cl)cc(Cl)c1O ZINC000282650360 375539645 /nfs/dbraw/zinc/53/96/45/375539645.db2.gz FXOOIGKHEJWVKC-UHFFFAOYSA-N 1 2 294.178 2.140 20 10 CECDLO C[N@@H+](CCOCCO)Cc1cc(Cl)cc(Cl)c1O ZINC000282650360 375539649 /nfs/dbraw/zinc/53/96/49/375539649.db2.gz FXOOIGKHEJWVKC-UHFFFAOYSA-N 1 2 294.178 2.140 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+](C2CC2)C2COC2)c1O ZINC000295394131 378137064 /nfs/dbraw/zinc/13/70/64/378137064.db2.gz LLZVQLPCZDAUGW-UHFFFAOYSA-N 1 2 279.311 2.097 20 10 CECDLO COC(=O)c1cnc(SCCCn2cc[nH+]c2)s1 ZINC000295320388 378103732 /nfs/dbraw/zinc/10/37/32/378103732.db2.gz OCMAAUYVPCKPTI-UHFFFAOYSA-N 1 2 283.378 2.309 20 10 CECDLO COc1cccc(C[N@H+](C)Cc2nccs2)c1O ZINC000093582588 394667611 /nfs/dbraw/zinc/66/76/11/394667611.db2.gz PQITWYYYTHHRGC-UHFFFAOYSA-N 1 2 264.350 2.489 20 10 CECDLO COc1cccc(C[N@@H+](C)Cc2nccs2)c1O ZINC000093582588 394667615 /nfs/dbraw/zinc/66/76/15/394667615.db2.gz PQITWYYYTHHRGC-UHFFFAOYSA-N 1 2 264.350 2.489 20 10 CECDLO CCOC(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000158398477 395044459 /nfs/dbraw/zinc/04/44/59/395044459.db2.gz GPVSFXMBUDWYGF-UHFFFAOYSA-N 1 2 298.770 2.320 20 10 CECDLO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191198062 395351210 /nfs/dbraw/zinc/35/12/10/395351210.db2.gz ZUXKBJNWRCCGJJ-VIFPVBQESA-N 1 2 286.322 2.236 20 10 CECDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1OC ZINC000493479619 262178258 /nfs/dbraw/zinc/17/82/58/262178258.db2.gz CSKQNFVRTDFNNX-HJWRWDBZSA-N 1 2 271.320 2.485 20 10 CECDLO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000276947813 263038806 /nfs/dbraw/zinc/03/88/06/263038806.db2.gz QJPSZPUQWBWUON-XNCJUZBTSA-N 1 2 285.212 2.244 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]C[C@]1(O)CCSC1 ZINC000271807303 328197406 /nfs/dbraw/zinc/19/74/06/328197406.db2.gz KCABLXANDNRKNP-GFCCVEGCSA-N 1 2 273.785 2.003 20 10 CECDLO CCOc1ccc(O)c(CN2CCn3cc(C)[nH+]c3C2)c1 ZINC000378629261 329057221 /nfs/dbraw/zinc/05/72/21/329057221.db2.gz CUAQXYLNWPVJRX-UHFFFAOYSA-N 1 2 287.363 2.312 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2cc(F)ccc21 ZINC000492904240 332418083 /nfs/dbraw/zinc/41/80/83/332418083.db2.gz WDLHTJXMQWDEIC-RQOWECAXSA-N 1 2 257.268 2.151 20 10 CECDLO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ncn(C)n1 ZINC000275774204 334794463 /nfs/dbraw/zinc/79/44/63/334794463.db2.gz VFFSEGNROMTZHP-RKDXNWHRSA-N 1 2 264.304 2.072 20 10 CECDLO CCOCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000293143688 521670968 /nfs/dbraw/zinc/67/09/68/521670968.db2.gz DBQOERKBHSBCJU-UHFFFAOYSA-N 1 2 268.313 2.205 20 10 CECDLO C[N@H+](Cc1nnc(C(C)(C)C)[nH]1)Cc1ccccc1O ZINC000292478173 523542246 /nfs/dbraw/zinc/54/22/46/523542246.db2.gz AEEJDEAAVYYCLP-UHFFFAOYSA-N 1 2 274.368 2.440 20 10 CECDLO C[N@@H+](Cc1nnc(C(C)(C)C)[nH]1)Cc1ccccc1O ZINC000292478173 523542251 /nfs/dbraw/zinc/54/22/51/523542251.db2.gz AEEJDEAAVYYCLP-UHFFFAOYSA-N 1 2 274.368 2.440 20 10 CECDLO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000289832935 524010254 /nfs/dbraw/zinc/01/02/54/524010254.db2.gz OKWQKUHWGMQICB-QWRGUYRKSA-N 1 2 292.162 2.202 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000372817387 526344959 /nfs/dbraw/zinc/34/49/59/526344959.db2.gz ZFVIUTIADAUHGM-SECBINFHSA-N 1 2 296.733 2.223 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000372817387 526344964 /nfs/dbraw/zinc/34/49/64/526344964.db2.gz ZFVIUTIADAUHGM-SECBINFHSA-N 1 2 296.733 2.223 20 10 CECDLO COC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726561214 574427520 /nfs/dbraw/zinc/42/75/20/574427520.db2.gz FAFMJFNFONFNIZ-UHFFFAOYSA-N 1 2 264.325 2.020 20 10 CECDLO CCC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)OCC ZINC000743474269 575104962 /nfs/dbraw/zinc/10/49/62/575104962.db2.gz JRPVEXJUPRBWQS-AWEZNQCLSA-N 1 2 277.364 2.443 20 10 CECDLO Cc1cccc2[nH+]cc(C=C3SC(=S)NC3=O)n21 ZINC000748994662 575202262 /nfs/dbraw/zinc/20/22/62/575202262.db2.gz QKDASJURPKESIX-WEVVVXLNSA-N 1 2 275.358 2.132 20 10 CECDLO COC(=O)C(C)(C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000750826731 575276267 /nfs/dbraw/zinc/27/62/67/575276267.db2.gz XEGGPUKHHATEGY-UHFFFAOYSA-N 1 2 297.326 2.117 20 10 CECDLO COC(=O)C(C)(C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000750826731 575276269 /nfs/dbraw/zinc/27/62/69/575276269.db2.gz XEGGPUKHHATEGY-UHFFFAOYSA-N 1 2 297.326 2.117 20 10 CECDLO COc1ccc(C[N@H+](C)Cc2ccon2)c(O)c1OC ZINC000892082580 624304063 /nfs/dbraw/zinc/30/40/63/624304063.db2.gz CXBNLJIOYSBMFJ-UHFFFAOYSA-N 1 2 278.308 2.029 20 10 CECDLO COc1ccc(C[N@@H+](C)Cc2ccon2)c(O)c1OC ZINC000892082580 624304065 /nfs/dbraw/zinc/30/40/65/624304065.db2.gz CXBNLJIOYSBMFJ-UHFFFAOYSA-N 1 2 278.308 2.029 20 10 CECDLO CCOCCN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000127448108 624379516 /nfs/dbraw/zinc/37/95/16/624379516.db2.gz MHXCNBOLVALZKO-UHFFFAOYSA-N 1 2 298.814 2.200 20 10 CECDLO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000224887345 628884035 /nfs/dbraw/zinc/88/40/35/628884035.db2.gz HXOGOIWENGJJHR-JQWIXIFHSA-N 1 2 255.745 2.296 20 10 CECDLO CC[C@H](C[NH2+]Cc1cccc(Cl)c1O)C(=O)OC ZINC000895120911 629924091 /nfs/dbraw/zinc/92/40/91/629924091.db2.gz CMZGISSZFLIXOM-SECBINFHSA-N 1 2 271.744 2.334 20 10 CECDLO COCC1C[NH+](Cc2cccc(Br)c2O)C1 ZINC000895971832 630424306 /nfs/dbraw/zinc/42/43/06/630424306.db2.gz USHRFUROEDFYPT-UHFFFAOYSA-N 1 2 286.169 2.233 20 10 CECDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3O)C2)no1 ZINC000896230216 630504270 /nfs/dbraw/zinc/50/42/70/630504270.db2.gz IVBFBWWBSUJQHC-SNVBAGLBSA-N 1 2 295.289 2.351 20 10 CECDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3O)C2)no1 ZINC000896230216 630504271 /nfs/dbraw/zinc/50/42/71/630504271.db2.gz IVBFBWWBSUJQHC-SNVBAGLBSA-N 1 2 295.289 2.351 20 10 CECDLO CC[C@H](CN1CCOCC1)[NH2+]Cc1cccc(Cl)c1O ZINC000896622147 630614526 /nfs/dbraw/zinc/61/45/26/630614526.db2.gz UNCWZLPAODGHNA-CYBMUJFWSA-N 1 2 298.814 2.246 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@@H](C)[S@@]1=O ZINC000809699233 632130179 /nfs/dbraw/zinc/13/01/79/632130179.db2.gz LZUVTJYITZRZLD-HTGLOVNISA-N 1 2 297.420 2.132 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)C[C@@H](C)[S@@]1=O ZINC000809699233 632130181 /nfs/dbraw/zinc/13/01/81/632130181.db2.gz LZUVTJYITZRZLD-HTGLOVNISA-N 1 2 297.420 2.132 20 10 CECDLO Cn1cncc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000811509899 632393619 /nfs/dbraw/zinc/39/36/19/632393619.db2.gz KKDOZVQVILDNEQ-UHFFFAOYSA-N 1 2 269.707 2.208 20 10 CECDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCOC1 ZINC000042412418 633970565 /nfs/dbraw/zinc/97/05/65/633970565.db2.gz ZOHSACVNJGHFQG-VIFPVBQESA-N 1 2 286.169 2.281 20 10 CECDLO Cn1c[nH+]cc1/C=C1\c2cccc3c2N(CCC3)C1=O ZINC000901521921 634155822 /nfs/dbraw/zinc/15/58/22/634155822.db2.gz JZAJFYWGZMWTCI-RIYZIHGNSA-N 1 2 265.316 2.254 20 10 CECDLO O=C1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CC[C@@H]2N1 ZINC000827133053 636229044 /nfs/dbraw/zinc/22/90/44/636229044.db2.gz QVWZBCKVDCVYCV-MFKMUULPSA-N 1 2 294.782 2.146 20 10 CECDLO O=C1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CC[C@@H]2N1 ZINC000827133053 636229050 /nfs/dbraw/zinc/22/90/50/636229050.db2.gz QVWZBCKVDCVYCV-MFKMUULPSA-N 1 2 294.782 2.146 20 10 CECDLO C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1O ZINC000827952605 636468849 /nfs/dbraw/zinc/46/88/49/636468849.db2.gz YHXWTMIHQZYWGU-GFCCVEGCSA-N 1 2 299.374 2.345 20 10 CECDLO C[C@H](CC(=O)N(C)c1ccc(N)cc1)n1cc[nH+]c1 ZINC000877075985 650561172 /nfs/dbraw/zinc/56/11/72/650561172.db2.gz KSZHOMUESCYEGR-LLVKDONJSA-N 1 2 258.325 2.079 20 10 CECDLO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)c1 ZINC000848560816 642053686 /nfs/dbraw/zinc/05/36/86/642053686.db2.gz KVCKQDSYADWPKU-LLVKDONJSA-N 1 2 289.383 2.293 20 10 CECDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc(C)cc1O ZINC000083482112 642162016 /nfs/dbraw/zinc/16/20/16/642162016.db2.gz NBTFNBQTAZXJFB-ZDUSSCGKSA-N 1 2 265.353 2.378 20 10 CECDLO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1cc(F)cc(F)c1O ZINC000850487980 642729806 /nfs/dbraw/zinc/72/98/06/642729806.db2.gz KLBXBWVDYLJFSW-SDBXPKJASA-N 1 2 271.307 2.482 20 10 CECDLO CCN(C)c1ccc(C[N@@H+]2CCn3cncc3C2)cc1 ZINC000852066904 643287573 /nfs/dbraw/zinc/28/75/73/643287573.db2.gz VFGUZOVLRDINNQ-UHFFFAOYSA-N 1 2 270.380 2.355 20 10 CECDLO CCN(C)c1ccc(C[N@H+]2CCn3cncc3C2)cc1 ZINC000852066904 643287578 /nfs/dbraw/zinc/28/75/78/643287578.db2.gz VFGUZOVLRDINNQ-UHFFFAOYSA-N 1 2 270.380 2.355 20 10 CECDLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)[C@H](O)C(F)(F)F ZINC000877693551 650853713 /nfs/dbraw/zinc/85/37/13/650853713.db2.gz KAFNWSKXQCVJTO-FWOIEVBISA-N 1 2 285.212 2.072 20 10 CECDLO C[C@@H]([NH2+]CCSCCCO)c1cc(F)cc(F)c1O ZINC000756542676 644661324 /nfs/dbraw/zinc/66/13/24/644661324.db2.gz LGUDWILLZAPJOR-SECBINFHSA-N 1 2 291.363 2.437 20 10 CECDLO C[C@H]([NH2+]Cc1cc[nH]n1)c1cc(F)cc(F)c1O ZINC000756552613 644663139 /nfs/dbraw/zinc/66/31/39/644663139.db2.gz GPDITJOTOVVDQG-ZETCQYMHSA-N 1 2 253.252 2.244 20 10 CECDLO C[C@@H]([NH2+]CC1(CO)CCC1)c1cc(F)cc(F)c1O ZINC000757655779 644831530 /nfs/dbraw/zinc/83/15/30/644831530.db2.gz GRCGEFCCBXSBKL-SECBINFHSA-N 1 2 271.307 2.484 20 10 CECDLO C[N@H+](Cc1nccn1CC(F)F)Cc1ccccc1O ZINC000878242793 651044196 /nfs/dbraw/zinc/04/41/96/651044196.db2.gz VTGRLACWCNCLNV-UHFFFAOYSA-N 1 2 281.306 2.486 20 10 CECDLO C[N@@H+](Cc1nccn1CC(F)F)Cc1ccccc1O ZINC000878242793 651044198 /nfs/dbraw/zinc/04/41/98/651044198.db2.gz VTGRLACWCNCLNV-UHFFFAOYSA-N 1 2 281.306 2.486 20 10 CECDLO O=C(C1CC1)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768194434 646095606 /nfs/dbraw/zinc/09/56/06/646095606.db2.gz ZKOSVIIUCXILJR-UHFFFAOYSA-N 1 2 294.782 2.100 20 10 CECDLO CC(=O)N1CC[N@H+](Cc2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000769447752 646266870 /nfs/dbraw/zinc/26/68/70/646266870.db2.gz KWLPMHXQTNDLPB-JTQLQIEISA-N 1 2 282.771 2.098 20 10 CECDLO CC(=O)N1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000769447752 646266876 /nfs/dbraw/zinc/26/68/76/646266876.db2.gz KWLPMHXQTNDLPB-JTQLQIEISA-N 1 2 282.771 2.098 20 10 CECDLO CN(C)c1ccc(CNc2cc[nH+]cc2F)cc1F ZINC000775484449 646959259 /nfs/dbraw/zinc/95/92/59/646959259.db2.gz WYHVUMURYUETHH-UHFFFAOYSA-N 1 2 263.291 2.460 20 10 CECDLO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cc(F)cc(F)c1O ZINC000779065405 647284508 /nfs/dbraw/zinc/28/45/08/647284508.db2.gz POLWUHLWFTZKHE-BPTDKIDVSA-N 1 2 271.307 2.480 20 10 CECDLO CC(C)(CCO)[NH2+]Cc1cccc(Br)c1O ZINC000127128377 651105481 /nfs/dbraw/zinc/10/54/81/651105481.db2.gz FEWQCLPSZZTVKQ-UHFFFAOYSA-N 1 2 288.185 2.405 20 10 CECDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CN1C1CC1 ZINC000883034214 652337110 /nfs/dbraw/zinc/33/71/10/652337110.db2.gz ODQGWYBMIXXTFQ-SKDRFNHKSA-N 1 2 282.334 2.385 20 10 CECDLO C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000134913885 652887520 /nfs/dbraw/zinc/88/75/20/652887520.db2.gz OEWSZEMGQZUQTB-RNFRBKRXSA-N 1 2 292.148 2.325 20 10 CECDLO C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000134913861 652887535 /nfs/dbraw/zinc/88/75/35/652887535.db2.gz OEWSZEMGQZUQTB-RQJHMYQMSA-N 1 2 292.148 2.325 20 10 CECDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001142527373 806620232 /nfs/dbraw/zinc/62/02/32/806620232.db2.gz SMKKTZRNVTWUDS-ZDUSSCGKSA-N 1 2 287.306 2.300 20 10 CECDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142527373 806620238 /nfs/dbraw/zinc/62/02/38/806620238.db2.gz SMKKTZRNVTWUDS-ZDUSSCGKSA-N 1 2 287.306 2.300 20 10 CECDLO C[C@@]1(F)CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010317 807355964 /nfs/dbraw/zinc/35/59/64/807355964.db2.gz OIKIMQGNQMGFPQ-CYBMUJFWSA-N 1 2 255.289 2.127 20 10 CECDLO C[C@@]1(F)CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010317 807355972 /nfs/dbraw/zinc/35/59/72/807355972.db2.gz OIKIMQGNQMGFPQ-CYBMUJFWSA-N 1 2 255.289 2.127 20 10 CECDLO C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CC(=O)N1 ZINC001143103603 809018668 /nfs/dbraw/zinc/01/86/68/809018668.db2.gz GTBRHQHGOMNUCQ-NSHDSACASA-N 1 2 276.380 2.010 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC(=O)N1 ZINC001143103603 809018676 /nfs/dbraw/zinc/01/86/76/809018676.db2.gz GTBRHQHGOMNUCQ-NSHDSACASA-N 1 2 276.380 2.010 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000700589864 809325941 /nfs/dbraw/zinc/32/59/41/809325941.db2.gz DEQBIDJUMDEJNL-GFCCVEGCSA-N 1 2 257.280 2.092 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000700589864 809325946 /nfs/dbraw/zinc/32/59/46/809325946.db2.gz DEQBIDJUMDEJNL-GFCCVEGCSA-N 1 2 257.280 2.092 20 10 CECDLO C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703417382 809645946 /nfs/dbraw/zinc/64/59/46/809645946.db2.gz KXFLLHLRBYMSKD-VIFPVBQESA-N 1 2 267.279 2.045 20 10 CECDLO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(F)c1O ZINC000703457318 809650357 /nfs/dbraw/zinc/65/03/57/809650357.db2.gz CNZPWXQEOSMULM-ZYHUDNBSSA-N 1 2 282.334 2.339 20 10 CECDLO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(F)c1O ZINC000703457318 809650360 /nfs/dbraw/zinc/65/03/60/809650360.db2.gz CNZPWXQEOSMULM-ZYHUDNBSSA-N 1 2 282.334 2.339 20 10 CECDLO CN(Cc1cc(F)cc(F)c1O)C[C@H]1CCC[N@@H+]1C ZINC000708397301 809928119 /nfs/dbraw/zinc/92/81/19/809928119.db2.gz BCUJMLIPDMHECE-GFCCVEGCSA-N 1 2 270.323 2.196 20 10 CECDLO CN(Cc1cc(F)cc(F)c1O)C[C@H]1CCC[N@H+]1C ZINC000708397301 809928122 /nfs/dbraw/zinc/92/81/22/809928122.db2.gz BCUJMLIPDMHECE-GFCCVEGCSA-N 1 2 270.323 2.196 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000708493986 809943095 /nfs/dbraw/zinc/94/30/95/809943095.db2.gz BNOKDPJRJBSMKO-XYPYZODXSA-N 1 2 257.280 2.064 20 10 CECDLO Nc1ccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)cc1 ZINC001212670045 815463172 /nfs/dbraw/zinc/46/31/72/815463172.db2.gz DCFMYGRCKORONG-UHFFFAOYSA-N 1 2 269.348 2.189 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385374808 813136962 /nfs/dbraw/zinc/13/69/62/813136962.db2.gz LXBWUEZHJMXXLN-PELKAZGASA-N 1 2 287.190 2.493 20 10 CECDLO Oc1cc(O)c(C[N@@H+]2CCC[C@H](F)C(F)(F)C2)c(O)c1 ZINC001144499164 814090175 /nfs/dbraw/zinc/09/01/75/814090175.db2.gz CUKFGWQNYPEEIS-LBPRGKRZSA-N 1 2 291.269 2.373 20 10 CECDLO Oc1cc(O)c(C[N@H+]2CCC[C@H](F)C(F)(F)C2)c(O)c1 ZINC001144499164 814090184 /nfs/dbraw/zinc/09/01/84/814090184.db2.gz CUKFGWQNYPEEIS-LBPRGKRZSA-N 1 2 291.269 2.373 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001140058977 816180880 /nfs/dbraw/zinc/18/08/80/816180880.db2.gz RVDWSPUPYFAFRB-MRXNPFEDSA-N 1 2 288.322 2.500 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001140058977 816180885 /nfs/dbraw/zinc/18/08/85/816180885.db2.gz RVDWSPUPYFAFRB-MRXNPFEDSA-N 1 2 288.322 2.500 20 10 CECDLO CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2O)[C@@H](C)C1 ZINC001140465119 816260238 /nfs/dbraw/zinc/26/02/38/816260238.db2.gz HKAWYDBCOAJXCL-JTQLQIEISA-N 1 2 282.771 2.098 20 10 CECDLO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2O)[C@@H](C)C1 ZINC001140465119 816260239 /nfs/dbraw/zinc/26/02/39/816260239.db2.gz HKAWYDBCOAJXCL-JTQLQIEISA-N 1 2 282.771 2.098 20 10 CECDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141162686 816491747 /nfs/dbraw/zinc/49/17/47/816491747.db2.gz ZSUFFRFIUKMETH-UHFFFAOYSA-N 1 2 299.326 2.400 20 10 CECDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141162686 816491752 /nfs/dbraw/zinc/49/17/52/816491752.db2.gz ZSUFFRFIUKMETH-UHFFFAOYSA-N 1 2 299.326 2.400 20 10 CECDLO Cc1[nH]c(C(=O)NCc2c(O)ccc3c2CCCC3)c[nH+]1 ZINC000075160103 343840405 /nfs/dbraw/zinc/84/04/05/343840405.db2.gz ZPBGSAIREQMLNZ-UHFFFAOYSA-N 1 2 285.347 2.233 20 10 CECDLO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(F)c(F)c1O ZINC000282175499 299285345 /nfs/dbraw/zinc/28/53/45/299285345.db2.gz FIHPWSODRSFOCV-RLBGWGEZSA-N 1 2 289.347 2.232 20 10 CECDLO CC(C)COC(=O)C[N@H+](C)Cc1ccccc1O ZINC000181485015 368462315 /nfs/dbraw/zinc/46/23/15/368462315.db2.gz WXCHIRLRIBITCP-UHFFFAOYSA-N 1 2 251.326 2.023 20 10 CECDLO CC(C)COC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000181485015 368462324 /nfs/dbraw/zinc/46/23/24/368462324.db2.gz WXCHIRLRIBITCP-UHFFFAOYSA-N 1 2 251.326 2.023 20 10 CECDLO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(F)c(F)c1O ZINC000187764184 296154483 /nfs/dbraw/zinc/15/44/83/296154483.db2.gz YMDIALMQJHKFSC-KXUCPTDWSA-N 1 2 269.291 2.258 20 10 CECDLO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(F)c(F)c1O ZINC000187751596 296164025 /nfs/dbraw/zinc/16/40/25/296164025.db2.gz RYRWCURNASOQKY-KCJUWKMLSA-N 1 2 294.305 2.448 20 10 CECDLO C[C@](O)(C[NH2+]Cc1cccc(Cl)c1O)C(F)(F)F ZINC000271765127 373201730 /nfs/dbraw/zinc/20/17/30/373201730.db2.gz AHMUDIYINMFBCC-JTQLQIEISA-N 1 2 283.677 2.449 20 10 CECDLO Cc1nc(C(C)(C)[NH2+]Cc2cc(F)ccc2O)no1 ZINC000272384652 373458724 /nfs/dbraw/zinc/45/87/24/373458724.db2.gz IBIBBTBGGARRDG-UHFFFAOYSA-N 1 2 265.288 2.248 20 10 CECDLO C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273363760 373753597 /nfs/dbraw/zinc/75/35/97/373753597.db2.gz DNZCJGQNOGYLKJ-MNOVXSKESA-N 1 2 290.323 2.236 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1cn[nH]c1 ZINC000293983885 377858054 /nfs/dbraw/zinc/85/80/54/377858054.db2.gz RNOCPCHDDMTXNZ-UHFFFAOYSA-N 1 2 269.707 2.240 20 10 CECDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(F)c1O ZINC000296542210 378567853 /nfs/dbraw/zinc/56/78/53/378567853.db2.gz MEGARKIRJLKRBR-UHFFFAOYSA-N 1 2 298.358 2.488 20 10 CECDLO CC(C)(C)C(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179918499 261825024 /nfs/dbraw/zinc/82/50/24/261825024.db2.gz NGMXNFPRUZXLHB-UHFFFAOYSA-N 1 2 294.370 2.222 20 10 CECDLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ncon2)c1O ZINC000371376663 267395812 /nfs/dbraw/zinc/39/58/12/267395812.db2.gz ZDGWEICSVKYPHX-LLVKDONJSA-N 1 2 275.308 2.121 20 10 CECDLO COc1cccc(C[N@H+]2CCC[C@@H]2c2ncon2)c1O ZINC000371376663 267395818 /nfs/dbraw/zinc/39/58/18/267395818.db2.gz ZDGWEICSVKYPHX-LLVKDONJSA-N 1 2 275.308 2.121 20 10 CECDLO COc1ccc([NH+]2CCC(N(C)C(=O)C(F)F)CC2)cc1 ZINC000373274252 267658151 /nfs/dbraw/zinc/65/81/51/267658151.db2.gz LMHKLZWQTIOYHQ-UHFFFAOYSA-N 1 2 298.333 2.388 20 10 CECDLO CC[C@H]([NH2+]CCS(C)(=O)=O)c1cccc(Cl)c1O ZINC000287314631 288042532 /nfs/dbraw/zinc/04/25/32/288042532.db2.gz DBICOFDUCGZJCE-NSHDSACASA-N 1 2 291.800 2.131 20 10 CECDLO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187722796 280348047 /nfs/dbraw/zinc/34/80/47/280348047.db2.gz NFCOUHCNHADLGC-GZMMTYOYSA-N 1 2 259.296 2.338 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377709676 329026337 /nfs/dbraw/zinc/02/63/37/329026337.db2.gz ZGDGDKWTMBQIAX-UKRRQHHQSA-N 1 2 297.782 2.425 20 10 CECDLO CC[N@H+](CCCC(=O)OC)c1ccc(OC)cc1 ZINC000265290645 521000321 /nfs/dbraw/zinc/00/03/21/521000321.db2.gz CYHSXJMJAMQHAR-UHFFFAOYSA-N 1 2 251.326 2.475 20 10 CECDLO CC[N@@H+](CCCC(=O)OC)c1ccc(OC)cc1 ZINC000265290645 521000326 /nfs/dbraw/zinc/00/03/26/521000326.db2.gz CYHSXJMJAMQHAR-UHFFFAOYSA-N 1 2 251.326 2.475 20 10 CECDLO CN(C)c1ccc(C[N@H+](Cc2cnn(C)n2)C2CC2)cc1 ZINC000290042174 522176379 /nfs/dbraw/zinc/17/63/79/522176379.db2.gz RBJLECNQOUOIKC-UHFFFAOYSA-N 1 2 285.395 2.046 20 10 CECDLO CN(C)c1ccc(C[N@@H+](Cc2cnn(C)n2)C2CC2)cc1 ZINC000290042174 522176390 /nfs/dbraw/zinc/17/63/90/522176390.db2.gz RBJLECNQOUOIKC-UHFFFAOYSA-N 1 2 285.395 2.046 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1F ZINC000275137981 522179961 /nfs/dbraw/zinc/17/99/61/522179961.db2.gz MXLSJSRCOCFOCZ-MRXNPFEDSA-N 1 2 292.354 2.173 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1F ZINC000275137981 522179968 /nfs/dbraw/zinc/17/99/68/522179968.db2.gz MXLSJSRCOCFOCZ-MRXNPFEDSA-N 1 2 292.354 2.173 20 10 CECDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2C)c1O ZINC000228629784 522537913 /nfs/dbraw/zinc/53/79/13/522537913.db2.gz SLJNVWABOIHYTI-SECBINFHSA-N 1 2 271.744 2.275 20 10 CECDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2C)c1O ZINC000228629784 522537925 /nfs/dbraw/zinc/53/79/25/522537925.db2.gz SLJNVWABOIHYTI-SECBINFHSA-N 1 2 271.744 2.275 20 10 CECDLO Cc1cc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000293040899 524709746 /nfs/dbraw/zinc/70/97/46/524709746.db2.gz JRPQLCPZFWPHTH-CKNLXJGOSA-N 1 2 294.464 2.402 20 10 CECDLO Cc1cc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000293040899 524709759 /nfs/dbraw/zinc/70/97/59/524709759.db2.gz JRPQLCPZFWPHTH-CKNLXJGOSA-N 1 2 294.464 2.402 20 10 CECDLO COc1ccc(O)c(C[N@@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000289923266 524742283 /nfs/dbraw/zinc/74/22/83/524742283.db2.gz XORCYFSDLROZPZ-LLVKDONJSA-N 1 2 287.306 2.257 20 10 CECDLO COc1ccc(O)c(C[N@H+]2CCOC[C@H]2CC(F)F)c1 ZINC000289923266 524742295 /nfs/dbraw/zinc/74/22/95/524742295.db2.gz XORCYFSDLROZPZ-LLVKDONJSA-N 1 2 287.306 2.257 20 10 CECDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1ncnn1C ZINC000276638277 525660384 /nfs/dbraw/zinc/66/03/84/525660384.db2.gz OLDWWKVVJGZBAD-HTQZYQBOSA-N 1 2 282.294 2.211 20 10 CECDLO O=C(CCCn1cc[nH+]c1)NCc1cccc(Cl)c1O ZINC000890757293 622928650 /nfs/dbraw/zinc/92/86/50/622928650.db2.gz BFWHEGQNNSSEII-UHFFFAOYSA-N 1 2 293.754 2.339 20 10 CECDLO COc1ccc(N(C)CCCn2cc[nH+]c2)c(OC)c1 ZINC000183060086 628175031 /nfs/dbraw/zinc/17/50/31/628175031.db2.gz DAEQZYPJUNVBED-UHFFFAOYSA-N 1 2 275.352 2.427 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H]2CCCN2C)c1O ZINC000092632641 628345245 /nfs/dbraw/zinc/34/52/45/628345245.db2.gz AVRLDMFSCDNYNR-CQSZACIVSA-N 1 2 294.370 2.260 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@H]2CCCN2C)c1O ZINC000092632641 628345246 /nfs/dbraw/zinc/34/52/46/628345246.db2.gz AVRLDMFSCDNYNR-CQSZACIVSA-N 1 2 294.370 2.260 20 10 CECDLO C[N@@H+](Cc1cc(F)ccc1O)[C@@H]1CC(C)(C)OC1=O ZINC000814179793 629210592 /nfs/dbraw/zinc/21/05/92/629210592.db2.gz YTQRJAPZALYETI-LLVKDONJSA-N 1 2 267.300 2.057 20 10 CECDLO CC[C@H]([NH2+]CC(F)(F)CN)c1ccc(C)cc1O ZINC000817968135 633811291 /nfs/dbraw/zinc/81/12/91/633811291.db2.gz PRAGMROLHHFTAI-NSHDSACASA-N 1 2 258.312 2.335 20 10 CECDLO CC[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000824533262 635444892 /nfs/dbraw/zinc/44/48/92/635444892.db2.gz CJUHTTYBNWHVIU-SNVBAGLBSA-N 1 2 261.724 2.387 20 10 CECDLO CC[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000824533262 635444897 /nfs/dbraw/zinc/44/48/97/635444897.db2.gz CJUHTTYBNWHVIU-SNVBAGLBSA-N 1 2 261.724 2.387 20 10 CECDLO C[C@@H](NC(=O)CCCn1cc[nH+]c1)c1ccccc1O ZINC000827930334 636462683 /nfs/dbraw/zinc/46/26/83/636462683.db2.gz GYFDLFQGJNIPFU-GFCCVEGCSA-N 1 2 273.336 2.246 20 10 CECDLO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cc(F)cc(F)c1O ZINC000834904795 637982658 /nfs/dbraw/zinc/98/26/58/637982658.db2.gz CTVMWZLIRMWRGC-ISVAXAHUSA-N 1 2 271.307 2.482 20 10 CECDLO COC(=O)[C@@H](C)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835053172 638040288 /nfs/dbraw/zinc/04/02/88/638040288.db2.gz TXCNFZWMUWPWPR-FMFIFOJESA-N 1 2 276.380 2.259 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835053172 638040296 /nfs/dbraw/zinc/04/02/96/638040296.db2.gz TXCNFZWMUWPWPR-FMFIFOJESA-N 1 2 276.380 2.259 20 10 CECDLO C[C@@]1(O)CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876759556 650423349 /nfs/dbraw/zinc/42/33/49/650423349.db2.gz MZOOXCOFNSQCLG-CYBMUJFWSA-N 1 2 257.280 2.017 20 10 CECDLO C[C@@]1(O)CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876759556 650423351 /nfs/dbraw/zinc/42/33/51/650423351.db2.gz MZOOXCOFNSQCLG-CYBMUJFWSA-N 1 2 257.280 2.017 20 10 CECDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2c(C)cccc2O)n1 ZINC000876795513 650435667 /nfs/dbraw/zinc/43/56/67/650435667.db2.gz PTNBFNSNTICQAQ-LLVKDONJSA-N 1 2 291.351 2.423 20 10 CECDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2c(C)cccc2O)n1 ZINC000876795513 650435670 /nfs/dbraw/zinc/43/56/70/650435670.db2.gz PTNBFNSNTICQAQ-LLVKDONJSA-N 1 2 291.351 2.423 20 10 CECDLO O=S1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000157979969 639558538 /nfs/dbraw/zinc/55/85/38/639558538.db2.gz NJBYYSLWHXFCAG-UHFFFAOYSA-N 1 2 273.785 2.046 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000840953779 639599132 /nfs/dbraw/zinc/59/91/32/639599132.db2.gz AKTGJPWKGLFJCY-NSHDSACASA-N 1 2 259.708 2.216 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000840953779 639599138 /nfs/dbraw/zinc/59/91/38/639599138.db2.gz AKTGJPWKGLFJCY-NSHDSACASA-N 1 2 259.708 2.216 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843127096 640293552 /nfs/dbraw/zinc/29/35/52/640293552.db2.gz OKBQKYXXIDNHAB-ZANVPECISA-N 1 2 284.762 2.369 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843127096 640293557 /nfs/dbraw/zinc/29/35/57/640293557.db2.gz OKBQKYXXIDNHAB-ZANVPECISA-N 1 2 284.762 2.369 20 10 CECDLO Oc1c(C[NH+]2CC([C@@H]3CCOC3)C2)ccc(F)c1F ZINC000877488248 650746692 /nfs/dbraw/zinc/74/66/92/650746692.db2.gz CYWCDZWZPKKHBK-SNVBAGLBSA-N 1 2 269.291 2.139 20 10 CECDLO C[C@H]([NH2+][C@H](CO)C1CCC1)c1cc(F)cc(F)c1O ZINC000850487978 642730127 /nfs/dbraw/zinc/73/01/27/642730127.db2.gz KLBXBWVDYLJFSW-ISVAXAHUSA-N 1 2 271.307 2.482 20 10 CECDLO COc1cc(C[NH2+]Cc2cc(Cl)c(F)cc2O)on1 ZINC000877635359 650826540 /nfs/dbraw/zinc/82/65/40/650826540.db2.gz OANXURSDSJQLJX-UHFFFAOYSA-N 1 2 286.690 2.471 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCCc3[nH]ncc3C2)cc1 ZINC000854053994 643973978 /nfs/dbraw/zinc/97/39/78/643973978.db2.gz HELJDLVYTIBORP-UHFFFAOYSA-N 1 2 270.380 2.424 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000756461838 644651473 /nfs/dbraw/zinc/65/14/73/644651473.db2.gz WGJDNMUFGHIZAG-IUCAKERBSA-N 1 2 257.280 2.358 20 10 CECDLO CO[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000764680842 645674836 /nfs/dbraw/zinc/67/48/36/645674836.db2.gz BYPTYAYRVAAJMB-CYBMUJFWSA-N 1 2 289.734 2.080 20 10 CECDLO CCOC(=O)C[N@H+](Cc1ccc(OCC)cc1O)C1CC1 ZINC000768755742 646159292 /nfs/dbraw/zinc/15/92/92/646159292.db2.gz XNTWOUCJFSEDIO-UHFFFAOYSA-N 1 2 293.363 2.318 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1ccc(OCC)cc1O)C1CC1 ZINC000768755742 646159298 /nfs/dbraw/zinc/15/92/98/646159298.db2.gz XNTWOUCJFSEDIO-UHFFFAOYSA-N 1 2 293.363 2.318 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1F ZINC000862530735 646486250 /nfs/dbraw/zinc/48/62/50/646486250.db2.gz RVIYFBOOKNENEX-ZDUSSCGKSA-N 1 2 284.350 2.452 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1F ZINC000862530735 646486251 /nfs/dbraw/zinc/48/62/51/646486251.db2.gz RVIYFBOOKNENEX-ZDUSSCGKSA-N 1 2 284.350 2.452 20 10 CECDLO Cn1cc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000771935579 646572791 /nfs/dbraw/zinc/57/27/91/646572791.db2.gz YLCLGQRMAVIPHH-UHFFFAOYSA-N 1 2 299.422 2.437 20 10 CECDLO Cn1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000771935579 646572795 /nfs/dbraw/zinc/57/27/95/646572795.db2.gz YLCLGQRMAVIPHH-UHFFFAOYSA-N 1 2 299.422 2.437 20 10 CECDLO C[C@@H]([NH2+]CCC(C)(C)O)c1cc(F)cc(F)c1O ZINC000775586484 646970030 /nfs/dbraw/zinc/97/00/30/646970030.db2.gz QEHRJYJZYUXESW-MRVPVSSYSA-N 1 2 259.296 2.482 20 10 CECDLO CSC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776208942 647037031 /nfs/dbraw/zinc/03/70/31/647037031.db2.gz FDDXGTTYQDBSHA-LBPRGKRZSA-N 1 2 293.791 2.388 20 10 CECDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)[C@@H]1CO ZINC000785984685 647975899 /nfs/dbraw/zinc/97/58/99/647975899.db2.gz RGYPHHHNCDBFSM-QPUJVOFHSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)[C@@H]1CO ZINC000785984685 647975902 /nfs/dbraw/zinc/97/59/02/647975902.db2.gz RGYPHHHNCDBFSM-QPUJVOFHSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000789763881 648339106 /nfs/dbraw/zinc/33/91/06/648339106.db2.gz ACKJPEKFLVRQFV-GFCCVEGCSA-N 1 2 298.814 2.198 20 10 CECDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000789763881 648339109 /nfs/dbraw/zinc/33/91/09/648339109.db2.gz ACKJPEKFLVRQFV-GFCCVEGCSA-N 1 2 298.814 2.198 20 10 CECDLO CC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cccc(Cl)c1O ZINC000872140335 649289777 /nfs/dbraw/zinc/28/97/77/649289777.db2.gz KABPOSSDUACCHQ-JHJVBQTASA-N 1 2 285.771 2.236 20 10 CECDLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000128179610 651381839 /nfs/dbraw/zinc/38/18/39/651381839.db2.gz LAPNKKFRBOQTLP-GHMZBOCLSA-N 1 2 255.745 2.295 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000883147453 652379384 /nfs/dbraw/zinc/37/93/84/652379384.db2.gz VUXARQNEUBHQAJ-JTQLQIEISA-N 1 2 292.276 2.099 20 10 CECDLO CCOC(=O)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140467248 802959730 /nfs/dbraw/zinc/95/97/30/802959730.db2.gz ROKXUSTUDRHKBN-UHFFFAOYSA-N 1 2 298.770 2.320 20 10 CECDLO CC[NH+]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000037322524 815138061 /nfs/dbraw/zinc/13/80/61/815138061.db2.gz MWOZZAFYFJAKAG-UHFFFAOYSA-N 1 2 296.798 2.386 20 10 CECDLO CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237798267 808258134 /nfs/dbraw/zinc/25/81/34/808258134.db2.gz CQPFJAWIILJIQO-SNVBAGLBSA-N 1 2 259.708 2.405 20 10 CECDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001237807952 808258218 /nfs/dbraw/zinc/25/82/18/808258218.db2.gz OUSWYTVMSLZFFK-MNOVXSKESA-N 1 2 277.698 2.089 20 10 CECDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001237807952 808258223 /nfs/dbraw/zinc/25/82/23/808258223.db2.gz OUSWYTVMSLZFFK-MNOVXSKESA-N 1 2 277.698 2.089 20 10 CECDLO CN(C)C[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137837897 809782443 /nfs/dbraw/zinc/78/24/43/809782443.db2.gz YIRJXQDPGNPSKI-NSHDSACASA-N 1 2 252.333 2.057 20 10 CECDLO CN(C)C[C@@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137837897 809782446 /nfs/dbraw/zinc/78/24/46/809782446.db2.gz YIRJXQDPGNPSKI-NSHDSACASA-N 1 2 252.333 2.057 20 10 CECDLO CC(C)[C@@](C)(CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708482211 809931134 /nfs/dbraw/zinc/93/11/34/809931134.db2.gz XDFKUBNADNBABL-CYBMUJFWSA-N 1 2 259.296 2.167 20 10 CECDLO C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708494556 809943350 /nfs/dbraw/zinc/94/33/50/809943350.db2.gz LSALTEOVMCOHMT-VIFPVBQESA-N 1 2 267.279 2.045 20 10 CECDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1csnn1 ZINC000398252500 813665989 /nfs/dbraw/zinc/66/59/89/813665989.db2.gz ONDKZUTUNLGIOA-SECBINFHSA-N 1 2 261.350 2.324 20 10 CECDLO CN(Cc1c(O)cccc1F)C1CC[NH+](C)CC1 ZINC001137831592 815691322 /nfs/dbraw/zinc/69/13/22/815691322.db2.gz GSUSBKZNHIVMAD-UHFFFAOYSA-N 1 2 252.333 2.057 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001137839207 815694798 /nfs/dbraw/zinc/69/47/98/815694798.db2.gz WKVYFBVIRPHEBK-INIZCTEOSA-N 1 2 288.322 2.500 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001137839207 815694800 /nfs/dbraw/zinc/69/48/00/815694800.db2.gz WKVYFBVIRPHEBK-INIZCTEOSA-N 1 2 288.322 2.500 20 10 CECDLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC001138127849 815735178 /nfs/dbraw/zinc/73/51/78/815735178.db2.gz RUYJKKNJGZBVET-AWEZNQCLSA-N 1 2 294.370 2.412 20 10 CECDLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC001138127849 815735181 /nfs/dbraw/zinc/73/51/81/815735181.db2.gz RUYJKKNJGZBVET-AWEZNQCLSA-N 1 2 294.370 2.412 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001140059123 816181207 /nfs/dbraw/zinc/18/12/07/816181207.db2.gz TZGYNJREZKORPK-INIZCTEOSA-N 1 2 288.322 2.500 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001140059123 816181215 /nfs/dbraw/zinc/18/12/15/816181215.db2.gz TZGYNJREZKORPK-INIZCTEOSA-N 1 2 288.322 2.500 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3ccncn3)CC2)c(C)c1 ZINC001140348917 816242486 /nfs/dbraw/zinc/24/24/86/816242486.db2.gz IYQCJQWBRAVRHS-UHFFFAOYSA-N 1 2 298.390 2.116 20 10 CECDLO Oc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](F)C2)c1 ZINC001141156702 816490147 /nfs/dbraw/zinc/49/01/47/816490147.db2.gz QZBBRGBYNZQUFO-NSHDSACASA-N 1 2 261.243 2.277 20 10 CECDLO Oc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@@H](F)C2)c1 ZINC001141156702 816490151 /nfs/dbraw/zinc/49/01/51/816490151.db2.gz QZBBRGBYNZQUFO-NSHDSACASA-N 1 2 261.243 2.277 20 10 CECDLO Cc1cc(C)c(CNC(=O)CN(C)c2cccc[nH+]2)c(O)c1 ZINC001177417602 816558374 /nfs/dbraw/zinc/55/83/74/816558374.db2.gz RUGHTGNTQASGHV-UHFFFAOYSA-N 1 2 299.374 2.157 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001142531475 816682367 /nfs/dbraw/zinc/68/23/67/816682367.db2.gz YLHFINNSEIZHFV-CYBMUJFWSA-N 1 2 269.291 2.281 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001142531475 816682370 /nfs/dbraw/zinc/68/23/70/816682370.db2.gz YLHFINNSEIZHFV-CYBMUJFWSA-N 1 2 269.291 2.281 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001142531476 816682714 /nfs/dbraw/zinc/68/27/14/816682714.db2.gz YLHFINNSEIZHFV-ZDUSSCGKSA-N 1 2 269.291 2.281 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001142531476 816682721 /nfs/dbraw/zinc/68/27/21/816682721.db2.gz YLHFINNSEIZHFV-ZDUSSCGKSA-N 1 2 269.291 2.281 20 10 CECDLO O=C(CCn1cc[nH+]c1)NCc1c(O)ccc2ccccc21 ZINC001179032597 816830796 /nfs/dbraw/zinc/83/07/96/816830796.db2.gz MUQQFMPOZDDXRJ-UHFFFAOYSA-N 1 2 295.342 2.448 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000124646803 365656489 /nfs/dbraw/zinc/65/64/89/365656489.db2.gz QPQCIYZNBHRCQX-UHFFFAOYSA-N 1 2 265.744 2.422 20 10 CECDLO [O-]c1c(Cl)cccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000124646803 365656490 /nfs/dbraw/zinc/65/64/90/365656490.db2.gz QPQCIYZNBHRCQX-UHFFFAOYSA-N 1 2 265.744 2.422 20 10 CECDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn[nH]c2C)c1 ZINC000038011147 361979353 /nfs/dbraw/zinc/97/93/53/361979353.db2.gz KOWAWBLDQHRUTP-SNVBAGLBSA-N 1 2 261.325 2.283 20 10 CECDLO C[C@H]([NH2+]CCCCCO)c1ccc(F)c(F)c1O ZINC000192925120 299288500 /nfs/dbraw/zinc/28/85/00/299288500.db2.gz XETOFSHYBGULPB-VIFPVBQESA-N 1 2 259.296 2.484 20 10 CECDLO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187762214 369217971 /nfs/dbraw/zinc/21/79/71/369217971.db2.gz BDOQAQKOLXGGRJ-RKDXNWHRSA-N 1 2 259.296 2.482 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228003585 370391553 /nfs/dbraw/zinc/39/15/53/370391553.db2.gz PTEMWAWBWAPTRI-CHWSQXEVSA-N 1 2 251.301 2.285 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000228179528 370399131 /nfs/dbraw/zinc/39/91/31/370399131.db2.gz QCMPRORBXMTPCZ-UKRRQHHQSA-N 1 2 260.381 2.369 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000228179528 370399134 /nfs/dbraw/zinc/39/91/34/370399134.db2.gz QCMPRORBXMTPCZ-UKRRQHHQSA-N 1 2 260.381 2.369 20 10 CECDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000365446122 372860663 /nfs/dbraw/zinc/86/06/63/372860663.db2.gz GQVUBLDEHKSZSM-YPMLDQLKSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000365446122 372860667 /nfs/dbraw/zinc/86/06/67/372860667.db2.gz GQVUBLDEHKSZSM-YPMLDQLKSA-N 1 2 287.812 2.389 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1 ZINC000271192906 373171386 /nfs/dbraw/zinc/17/13/86/373171386.db2.gz MLPKOTCCMZCGIQ-JGRMJRGVSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(O)c(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1 ZINC000271192906 373171398 /nfs/dbraw/zinc/17/13/98/373171398.db2.gz MLPKOTCCMZCGIQ-JGRMJRGVSA-N 1 2 297.420 2.132 20 10 CECDLO CCCOc1ccc(C[N@H+](CC(=O)OC)C2CC2)c(O)c1 ZINC000271300856 373186813 /nfs/dbraw/zinc/18/68/13/373186813.db2.gz UEPJKJIMKYVYLO-UHFFFAOYSA-N 1 2 293.363 2.318 20 10 CECDLO CCCOc1ccc(C[N@@H+](CC(=O)OC)C2CC2)c(O)c1 ZINC000271300856 373186823 /nfs/dbraw/zinc/18/68/23/373186823.db2.gz UEPJKJIMKYVYLO-UHFFFAOYSA-N 1 2 293.363 2.318 20 10 CECDLO OC[C@@]1(F)CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293918291 395258008 /nfs/dbraw/zinc/25/80/08/395258008.db2.gz MJUSTHLKSZAMPA-CYBMUJFWSA-N 1 2 291.725 2.481 20 10 CECDLO OC[C@@]1(F)CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293918291 395258011 /nfs/dbraw/zinc/25/80/11/395258011.db2.gz MJUSTHLKSZAMPA-CYBMUJFWSA-N 1 2 291.725 2.481 20 10 CECDLO C[S@](=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000281655117 400318968 /nfs/dbraw/zinc/31/89/68/400318968.db2.gz BWBLDJHQAOCKHU-KRWDZBQOSA-N 1 2 273.785 2.046 20 10 CECDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ncnn1C ZINC000276443260 263036845 /nfs/dbraw/zinc/03/68/45/263036845.db2.gz IYRYOOPIIBSDFQ-QMMMGPOBSA-N 1 2 266.732 2.025 20 10 CECDLO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(F)c(F)c1O ZINC000293741347 263148786 /nfs/dbraw/zinc/14/87/86/263148786.db2.gz PFRSFEIKXLXHCP-VIFPVBQESA-N 1 2 296.321 2.082 20 10 CECDLO C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273363762 277595332 /nfs/dbraw/zinc/59/53/32/277595332.db2.gz DNZCJGQNOGYLKJ-QWRGUYRKSA-N 1 2 290.323 2.236 20 10 CECDLO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187762192 288099911 /nfs/dbraw/zinc/09/99/11/288099911.db2.gz BDOQAQKOLXGGRJ-BDAKNGLRSA-N 1 2 259.296 2.482 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000252758308 334390543 /nfs/dbraw/zinc/39/05/43/334390543.db2.gz BHUKWSKFUJVWCW-ZDUSSCGKSA-N 1 2 264.344 2.201 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCN2CCCC[C@H]2C1 ZINC000252758308 334390545 /nfs/dbraw/zinc/39/05/45/334390545.db2.gz BHUKWSKFUJVWCW-ZDUSSCGKSA-N 1 2 264.344 2.201 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O)CC2)c1O ZINC000050132265 518278626 /nfs/dbraw/zinc/27/86/26/518278626.db2.gz JZLPSXVVIZJZDZ-UHFFFAOYSA-N 1 2 283.755 2.205 20 10 CECDLO CC(=O)c1cc(F)cc(CN(C)Cc2[nH+]ccn2C)c1O ZINC000062254610 518284009 /nfs/dbraw/zinc/28/40/09/518284009.db2.gz ZGKYLEIFVXURSG-UHFFFAOYSA-N 1 2 291.326 2.099 20 10 CECDLO CCCOc1ccc(C[N@@H+]2CCn3cncc3C2)c(O)c1 ZINC000291653311 520350582 /nfs/dbraw/zinc/35/05/82/520350582.db2.gz UUCHURUCCDRBGG-UHFFFAOYSA-N 1 2 287.363 2.393 20 10 CECDLO CCCOc1ccc(C[N@H+]2CCn3cncc3C2)c(O)c1 ZINC000291653311 520350587 /nfs/dbraw/zinc/35/05/87/520350587.db2.gz UUCHURUCCDRBGG-UHFFFAOYSA-N 1 2 287.363 2.393 20 10 CECDLO CCCOc1ccc(CN2CCn3c[nH+]cc3C2)c(O)c1 ZINC000291653311 520350595 /nfs/dbraw/zinc/35/05/95/520350595.db2.gz UUCHURUCCDRBGG-UHFFFAOYSA-N 1 2 287.363 2.393 20 10 CECDLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cccc(F)c1O ZINC000276064757 521305704 /nfs/dbraw/zinc/30/57/04/521305704.db2.gz VPDPIMVFAXVJRY-OAHLLOKOSA-N 1 2 280.343 2.022 20 10 CECDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(F)c1O ZINC000276064757 521305709 /nfs/dbraw/zinc/30/57/09/521305709.db2.gz VPDPIMVFAXVJRY-OAHLLOKOSA-N 1 2 280.343 2.022 20 10 CECDLO C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(F)c(F)c1O ZINC000282175500 525319841 /nfs/dbraw/zinc/31/98/41/525319841.db2.gz FIHPWSODRSFOCV-WPCRTTGESA-N 1 2 289.347 2.232 20 10 CECDLO O=C(CCc1[nH]cc[nH+]1)NCc1ccc(N2CCCC2)cc1 ZINC000279098143 526659211 /nfs/dbraw/zinc/65/92/11/526659211.db2.gz AFFIVFCITUDJGQ-UHFFFAOYSA-N 1 2 298.390 2.259 20 10 CECDLO O=C(CCn1cc[nH+]c1)NCc1ccc(N2CCCC2)cc1 ZINC000299671930 526676838 /nfs/dbraw/zinc/67/68/38/526676838.db2.gz QYLJAMBMQMKQAU-UHFFFAOYSA-N 1 2 298.390 2.190 20 10 CECDLO Oc1ccccc1C[N@@H+](Cc1ccco1)CC1OCCO1 ZINC000182650645 628166423 /nfs/dbraw/zinc/16/64/23/628166423.db2.gz PBDKWNKSZDVBOE-UHFFFAOYSA-N 1 2 289.331 2.360 20 10 CECDLO Oc1ccccc1C[N@H+](Cc1ccco1)CC1OCCO1 ZINC000182650645 628166426 /nfs/dbraw/zinc/16/64/26/628166426.db2.gz PBDKWNKSZDVBOE-UHFFFAOYSA-N 1 2 289.331 2.360 20 10 CECDLO COc1ccc(C[NH2+]C2(C(F)F)CC2)c(O)c1OC ZINC000894261212 629275139 /nfs/dbraw/zinc/27/51/39/629275139.db2.gz JOVZFYBVCFMFDW-UHFFFAOYSA-N 1 2 273.279 2.297 20 10 CECDLO CC[N@@H+](Cc1cc(F)cc(F)c1O)C[C@H](O)C(F)(F)F ZINC000894494038 629495604 /nfs/dbraw/zinc/49/56/04/629495604.db2.gz LOMLRBGWCFTJSM-JTQLQIEISA-N 1 2 299.239 2.416 20 10 CECDLO CC[N@H+](Cc1cc(F)cc(F)c1O)C[C@H](O)C(F)(F)F ZINC000894494038 629495606 /nfs/dbraw/zinc/49/56/06/629495606.db2.gz LOMLRBGWCFTJSM-JTQLQIEISA-N 1 2 299.239 2.416 20 10 CECDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000895437219 630189481 /nfs/dbraw/zinc/18/94/81/630189481.db2.gz JGTGRPCBRQLDEI-CYBMUJFWSA-N 1 2 298.333 2.161 20 10 CECDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000895437219 630189485 /nfs/dbraw/zinc/18/94/85/630189485.db2.gz JGTGRPCBRQLDEI-CYBMUJFWSA-N 1 2 298.333 2.161 20 10 CECDLO CCN1CC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000895672625 630300726 /nfs/dbraw/zinc/30/07/26/630300726.db2.gz WGGKCASMGPNITC-SNVBAGLBSA-N 1 2 272.751 2.369 20 10 CECDLO COc1ccc(C[NH+]2CC(OC(C)C)C2)c(O)c1OC ZINC000895956331 630418484 /nfs/dbraw/zinc/41/84/84/630418484.db2.gz KDFBMGJUOBQJLC-UHFFFAOYSA-N 1 2 281.352 2.019 20 10 CECDLO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cccc(Cl)c1O ZINC000896622149 630614718 /nfs/dbraw/zinc/61/47/18/630614718.db2.gz UNCWZLPAODGHNA-ZDUSSCGKSA-N 1 2 298.814 2.246 20 10 CECDLO C[S@@](=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000799739247 631074429 /nfs/dbraw/zinc/07/44/29/631074429.db2.gz SFJMHGDIAMQGFV-GOSISDBHSA-N 1 2 291.775 2.185 20 10 CECDLO Cn1cnc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000898045646 632010199 /nfs/dbraw/zinc/01/01/99/632010199.db2.gz QUCQKSPQDAISJX-UHFFFAOYSA-N 1 2 251.717 2.069 20 10 CECDLO CN1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816537689 633409403 /nfs/dbraw/zinc/40/94/03/633409403.db2.gz OIRFGOOHSAGTDJ-JTQLQIEISA-N 1 2 272.751 2.369 20 10 CECDLO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000817412439 633651044 /nfs/dbraw/zinc/65/10/44/633651044.db2.gz LIMMRGKHNSLBEV-WDEREUQCSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000817412439 633651048 /nfs/dbraw/zinc/65/10/48/633651048.db2.gz LIMMRGKHNSLBEV-WDEREUQCSA-N 1 2 269.772 2.496 20 10 CECDLO CCn1nc(C)c(C[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000818221677 633886564 /nfs/dbraw/zinc/88/65/64/633886564.db2.gz SAXHQBCBIFRIKX-UHFFFAOYSA-N 1 2 280.759 2.255 20 10 CECDLO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)n1 ZINC000818346949 633914612 /nfs/dbraw/zinc/91/46/12/633914612.db2.gz WKMILVREZRPDAE-MRVPVSSYSA-N 1 2 296.321 2.441 20 10 CECDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(N(C)C)cc1 ZINC000822082565 634846766 /nfs/dbraw/zinc/84/67/66/634846766.db2.gz NINBCXOPPYXIIK-KCPJHIHWSA-N 1 2 298.390 2.457 20 10 CECDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(N(C)C)cc1 ZINC000822082565 634846771 /nfs/dbraw/zinc/84/67/71/634846771.db2.gz NINBCXOPPYXIIK-KCPJHIHWSA-N 1 2 298.390 2.457 20 10 CECDLO OCC1(CC[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000825040357 635546110 /nfs/dbraw/zinc/54/61/10/635546110.db2.gz IASNPBRMMCOQFL-UHFFFAOYSA-N 1 2 273.735 2.437 20 10 CECDLO Cc1nn(C)cc1C[NH2+]Cc1cccc(Cl)c1O ZINC000168687245 639578412 /nfs/dbraw/zinc/57/84/12/639578412.db2.gz BENQCZOUFLHSKQ-UHFFFAOYSA-N 1 2 265.744 2.377 20 10 CECDLO C[C@H](CCO)[N@H+](C)Cc1cccc(Br)c1O ZINC000846111486 641185623 /nfs/dbraw/zinc/18/56/23/641185623.db2.gz PXESKWXXBKGVSZ-SECBINFHSA-N 1 2 288.185 2.357 20 10 CECDLO C[C@H](CCO)[N@@H+](C)Cc1cccc(Br)c1O ZINC000846111486 641185626 /nfs/dbraw/zinc/18/56/26/641185626.db2.gz PXESKWXXBKGVSZ-SECBINFHSA-N 1 2 288.185 2.357 20 10 CECDLO COCc1n[nH]c(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)n1 ZINC000850514662 642737679 /nfs/dbraw/zinc/73/76/79/642737679.db2.gz OXGRGXQPGXXXLE-NSHDSACASA-N 1 2 290.367 2.124 20 10 CECDLO CN(C)c1ccc(C[N@H+](Cc2cnon2)C2CC2)cc1 ZINC000851731959 643132755 /nfs/dbraw/zinc/13/27/55/643132755.db2.gz FIEFKWWLHKARDG-UHFFFAOYSA-N 1 2 272.352 2.300 20 10 CECDLO CN(C)c1ccc(C[N@@H+](Cc2cnon2)C2CC2)cc1 ZINC000851731959 643132756 /nfs/dbraw/zinc/13/27/56/643132756.db2.gz FIEFKWWLHKARDG-UHFFFAOYSA-N 1 2 272.352 2.300 20 10 CECDLO COC(=O)c1coc(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC000877702819 650859789 /nfs/dbraw/zinc/85/97/89/650859789.db2.gz IWAXGQQZUJLIMN-UHFFFAOYSA-N 1 2 273.288 2.288 20 10 CECDLO COC(=O)c1coc(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC000877702819 650859792 /nfs/dbraw/zinc/85/97/92/650859792.db2.gz IWAXGQQZUJLIMN-UHFFFAOYSA-N 1 2 273.288 2.288 20 10 CECDLO COCCCn1nccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703028 650859896 /nfs/dbraw/zinc/85/98/96/650859896.db2.gz OWBBWUIOUBJEDZ-UHFFFAOYSA-N 1 2 287.363 2.141 20 10 CECDLO COCCCn1nccc1C[N@H+]1Cc2cccc(O)c2C1 ZINC000877703028 650859900 /nfs/dbraw/zinc/85/99/00/650859900.db2.gz OWBBWUIOUBJEDZ-UHFFFAOYSA-N 1 2 287.363 2.141 20 10 CECDLO CC[C@H](NCC12CC(C1)C[NH2+]2)c1ccc(F)cc1O ZINC000854227851 644017664 /nfs/dbraw/zinc/01/76/64/644017664.db2.gz RRVZFSNBLICUME-IQYSWEBNSA-N 1 2 264.344 2.324 20 10 CECDLO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756585604 644672785 /nfs/dbraw/zinc/67/27/85/644672785.db2.gz KZTRVYOBLXVCBB-XPTSAGLGSA-N 1 2 289.322 2.109 20 10 CECDLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756773957 644691604 /nfs/dbraw/zinc/69/16/04/644691604.db2.gz DFKBRZZIAZYPML-IYYTYJHQSA-N 1 2 298.333 2.236 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(F)cc(F)c1O ZINC000757655795 644829320 /nfs/dbraw/zinc/82/93/20/644829320.db2.gz KZOSECAAQBWSSE-XHNCKOQMSA-N 1 2 259.296 2.480 20 10 CECDLO CCOc1cccc(C[N@@H+]2CCc3c[nH]nc3C2)c1O ZINC000769468652 646274115 /nfs/dbraw/zinc/27/41/15/646274115.db2.gz MJCAHLSBXPINJY-UHFFFAOYSA-N 1 2 273.336 2.072 20 10 CECDLO CCOc1cccc(C[N@H+]2CCc3c[nH]nc3C2)c1O ZINC000769468652 646274121 /nfs/dbraw/zinc/27/41/21/646274121.db2.gz MJCAHLSBXPINJY-UHFFFAOYSA-N 1 2 273.336 2.072 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000770304364 646378513 /nfs/dbraw/zinc/37/85/13/646378513.db2.gz MLNIWOYNVCCFIS-CABCVRRESA-N 1 2 297.782 2.425 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000770304364 646378518 /nfs/dbraw/zinc/37/85/18/646378518.db2.gz MLNIWOYNVCCFIS-CABCVRRESA-N 1 2 297.782 2.425 20 10 CECDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1cc(C)ccc1O ZINC000770355352 646381739 /nfs/dbraw/zinc/38/17/39/646381739.db2.gz MARWOPLUUCQPIL-AWEZNQCLSA-N 1 2 295.379 2.099 20 10 CECDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1cc(C)ccc1O ZINC000770355352 646381745 /nfs/dbraw/zinc/38/17/45/646381745.db2.gz MARWOPLUUCQPIL-AWEZNQCLSA-N 1 2 295.379 2.099 20 10 CECDLO CCN(C)c1ccc(C[N@H+](CC)CC(=O)OC)cc1 ZINC000773747796 646771638 /nfs/dbraw/zinc/77/16/38/646771638.db2.gz IVCBANOUFSTOLG-UHFFFAOYSA-N 1 2 264.369 2.138 20 10 CECDLO CCN(C)c1ccc(C[N@@H+](CC)CC(=O)OC)cc1 ZINC000773747796 646771643 /nfs/dbraw/zinc/77/16/43/646771643.db2.gz IVCBANOUFSTOLG-UHFFFAOYSA-N 1 2 264.369 2.138 20 10 CECDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000774658412 646874568 /nfs/dbraw/zinc/87/45/68/646874568.db2.gz NOGAYNCUMSWAFB-SNVBAGLBSA-N 1 2 291.376 2.207 20 10 CECDLO CCNC(=O)C[N@H+](CC)Cc1cc(Cl)cc(F)c1O ZINC000775646364 646975735 /nfs/dbraw/zinc/97/57/35/646975735.db2.gz JNMWFOXEDDCMSA-UHFFFAOYSA-N 1 2 288.750 2.143 20 10 CECDLO CCNC(=O)C[N@@H+](CC)Cc1cc(Cl)cc(F)c1O ZINC000775646364 646975737 /nfs/dbraw/zinc/97/57/37/646975737.db2.gz JNMWFOXEDDCMSA-UHFFFAOYSA-N 1 2 288.750 2.143 20 10 CECDLO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775651124 646976168 /nfs/dbraw/zinc/97/61/68/646976168.db2.gz ZXMCCACVZSIEIQ-QMMMGPOBSA-N 1 2 287.718 2.180 20 10 CECDLO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775651124 646976170 /nfs/dbraw/zinc/97/61/70/646976170.db2.gz ZXMCCACVZSIEIQ-QMMMGPOBSA-N 1 2 287.718 2.180 20 10 CECDLO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775664952 646977890 /nfs/dbraw/zinc/97/78/90/646977890.db2.gz STJBBMHGZNHQJD-LLVKDONJSA-N 1 2 282.771 2.276 20 10 CECDLO NC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775664952 646977892 /nfs/dbraw/zinc/97/78/92/646977892.db2.gz STJBBMHGZNHQJD-LLVKDONJSA-N 1 2 282.771 2.276 20 10 CECDLO CC(C)(CCO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776175761 647032230 /nfs/dbraw/zinc/03/22/30/647032230.db2.gz ZXXQCQYLFNHUIC-UHFFFAOYSA-N 1 2 261.724 2.435 20 10 CECDLO COC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000784668556 647873524 /nfs/dbraw/zinc/87/35/24/647873524.db2.gz QLZGUCKJTKYALC-GXTWGEPZSA-N 1 2 296.386 2.127 20 10 CECDLO COC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000784668556 647873526 /nfs/dbraw/zinc/87/35/26/647873526.db2.gz QLZGUCKJTKYALC-GXTWGEPZSA-N 1 2 296.386 2.127 20 10 CECDLO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000792199265 648624137 /nfs/dbraw/zinc/62/41/37/648624137.db2.gz CPULOKWYTGZIDT-ONGXEEELSA-N 1 2 283.755 2.477 20 10 CECDLO Cc1nonc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000872135287 649288424 /nfs/dbraw/zinc/28/84/24/649288424.db2.gz DPVABCHPSMXRPR-LURJTMIESA-N 1 2 269.251 2.213 20 10 CECDLO COc1ccc(N2CC[C@@H](Nc3cc(CO)cc[nH+]3)C2)cc1 ZINC000882577393 652144128 /nfs/dbraw/zinc/14/41/28/652144128.db2.gz DVOLTVBSCHATIC-CQSZACIVSA-N 1 2 299.374 2.273 20 10 CECDLO COCc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)no1 ZINC000882954884 652286674 /nfs/dbraw/zinc/28/66/74/652286674.db2.gz XWLPRPLTEQHAIK-UHFFFAOYSA-N 1 2 274.320 2.046 20 10 CECDLO CC(C)(C)N1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CC1=O ZINC000883027328 652332351 /nfs/dbraw/zinc/33/23/51/652332351.db2.gz YBCRFFFUFVHTGD-NSHDSACASA-N 1 2 298.333 2.159 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001142509110 806609599 /nfs/dbraw/zinc/60/95/99/806609599.db2.gz XCQJFZRCZRRXOW-LLVKDONJSA-N 1 2 297.223 2.170 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001142509110 806609602 /nfs/dbraw/zinc/60/96/02/806609602.db2.gz XCQJFZRCZRRXOW-LLVKDONJSA-N 1 2 297.223 2.170 20 10 CECDLO Oc1cc(Cl)c(F)cc1CN1CC[NH2+]CC(F)(F)C1 ZINC001211348413 802814877 /nfs/dbraw/zinc/81/48/77/802814877.db2.gz ZZZLHLAVYSMLMO-UHFFFAOYSA-N 1 2 294.704 2.225 20 10 CECDLO CCOCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715744175 814989937 /nfs/dbraw/zinc/98/99/37/814989937.db2.gz GSRMVEREQFRTST-UHFFFAOYSA-N 1 2 292.148 2.420 20 10 CECDLO COCC1C[NH+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236802466 808167295 /nfs/dbraw/zinc/16/72/95/808167295.db2.gz QTIQANBWDCXRAJ-UHFFFAOYSA-N 1 2 271.744 2.132 20 10 CECDLO Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001203558316 808726411 /nfs/dbraw/zinc/72/64/11/808726411.db2.gz DDAMJOMXEDGIPK-NHCYSSNCSA-N 1 2 273.254 2.296 20 10 CECDLO Oc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001203558316 808726415 /nfs/dbraw/zinc/72/64/15/808726415.db2.gz DDAMJOMXEDGIPK-NHCYSSNCSA-N 1 2 273.254 2.296 20 10 CECDLO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708438235 809930630 /nfs/dbraw/zinc/93/06/30/809930630.db2.gz WITQWWDZZMHQGV-AMIZOPFISA-N 1 2 257.280 2.328 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000708441913 809931469 /nfs/dbraw/zinc/93/14/69/809931469.db2.gz LYIOOSRHGWOMIV-ONGXEEELSA-N 1 2 269.291 2.139 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000708441913 809931474 /nfs/dbraw/zinc/93/14/74/809931474.db2.gz LYIOOSRHGWOMIV-ONGXEEELSA-N 1 2 269.291 2.139 20 10 CECDLO C[C@](O)(C[NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000383759931 812215121 /nfs/dbraw/zinc/21/51/21/812215121.db2.gz DOCGYTSIWLQICN-ZDUSSCGKSA-N 1 2 255.745 2.296 20 10 CECDLO Cc1nnc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000391948121 813292350 /nfs/dbraw/zinc/29/23/50/813292350.db2.gz XSKOKGNRPCFRFO-UHFFFAOYSA-N 1 2 261.350 2.071 20 10 CECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001116865523 814887991 /nfs/dbraw/zinc/88/79/91/814887991.db2.gz IOSFMXFESRQQER-CYBMUJFWSA-N 1 2 276.380 2.280 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001116865523 814887994 /nfs/dbraw/zinc/88/79/94/814887994.db2.gz IOSFMXFESRQQER-CYBMUJFWSA-N 1 2 276.380 2.280 20 10 CECDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137833133 815693510 /nfs/dbraw/zinc/69/35/10/815693510.db2.gz UMCAILLXNGLIES-CQSZACIVSA-N 1 2 267.300 2.059 20 10 CECDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1c(O)cccc1F ZINC001137833133 815693515 /nfs/dbraw/zinc/69/35/15/815693515.db2.gz UMCAILLXNGLIES-CQSZACIVSA-N 1 2 267.300 2.059 20 10 CECDLO C[C@@H]1CN(Cc2c(O)cccc2F)C[C@H](C)[N@H+]1C ZINC001137839246 815696014 /nfs/dbraw/zinc/69/60/14/815696014.db2.gz YAPPJBRNMWLBRF-PHIMTYICSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1CN(Cc2c(O)cccc2F)C[C@H](C)[N@@H+]1C ZINC001137839246 815696015 /nfs/dbraw/zinc/69/60/15/815696015.db2.gz YAPPJBRNMWLBRF-PHIMTYICSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)C[C@H](C)N1C ZINC001137839246 815696017 /nfs/dbraw/zinc/69/60/17/815696017.db2.gz YAPPJBRNMWLBRF-PHIMTYICSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2F)C[C@H](C)N1C ZINC001137839246 815696019 /nfs/dbraw/zinc/69/60/19/815696019.db2.gz YAPPJBRNMWLBRF-PHIMTYICSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCCC1=O ZINC001138122529 815731715 /nfs/dbraw/zinc/73/17/15/815731715.db2.gz LEQPUTUJTLHVMF-JTQLQIEISA-N 1 2 251.301 2.332 20 10 CECDLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cccc(F)c1O ZINC001138123846 815732007 /nfs/dbraw/zinc/73/20/07/815732007.db2.gz OCDVXPKZWJJKFG-ABAIWWIYSA-N 1 2 279.311 2.059 20 10 CECDLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cccc(F)c1O ZINC001138123846 815732013 /nfs/dbraw/zinc/73/20/13/815732013.db2.gz OCDVXPKZWJJKFG-ABAIWWIYSA-N 1 2 279.311 2.059 20 10 CECDLO C[C@@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CCC[C@H]1O ZINC001140582810 816291535 /nfs/dbraw/zinc/29/15/35/816291535.db2.gz NFJXKMWRVIESNT-NOZJJQNGSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CCC[C@H]1O ZINC001140582810 816291539 /nfs/dbraw/zinc/29/15/39/816291539.db2.gz NFJXKMWRVIESNT-NOZJJQNGSA-N 1 2 271.307 2.263 20 10 CECDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)c(F)cc1O ZINC001142512962 816678659 /nfs/dbraw/zinc/67/86/59/816678659.db2.gz REWZUOHHADSZET-AOOOYVTPSA-N 1 2 267.275 2.366 20 10 CECDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(F)cc1O ZINC001142512962 816678663 /nfs/dbraw/zinc/67/86/63/816678663.db2.gz REWZUOHHADSZET-AOOOYVTPSA-N 1 2 267.275 2.366 20 10 CECDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271039947 300270413 /nfs/dbraw/zinc/27/04/13/300270413.db2.gz MGVZVLWHGOICEW-NSHDSACASA-N 1 2 252.333 2.112 20 10 CECDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271039947 300270417 /nfs/dbraw/zinc/27/04/17/300270417.db2.gz MGVZVLWHGOICEW-NSHDSACASA-N 1 2 252.333 2.112 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CCO1 ZINC000037323497 361903643 /nfs/dbraw/zinc/90/36/43/361903643.db2.gz QAFYVDCFSZNTKI-CYBMUJFWSA-N 1 2 281.327 2.345 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CCO1 ZINC000037323497 361903648 /nfs/dbraw/zinc/90/36/48/361903648.db2.gz QAFYVDCFSZNTKI-CYBMUJFWSA-N 1 2 281.327 2.345 20 10 CECDLO C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(F)c1[O-] ZINC000191184748 299301535 /nfs/dbraw/zinc/30/15/35/299301535.db2.gz GIAYEDMPVXBXQW-VIFPVBQESA-N 1 2 267.279 2.218 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000156075151 366827176 /nfs/dbraw/zinc/82/71/76/366827176.db2.gz QCMPRORBXMTPCZ-DZGCQCFKSA-N 1 2 260.381 2.369 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000156075151 366827181 /nfs/dbraw/zinc/82/71/81/366827181.db2.gz QCMPRORBXMTPCZ-DZGCQCFKSA-N 1 2 260.381 2.369 20 10 CECDLO C[NH+](C)C1(CNCc2c(O)cccc2Cl)CCOCC1 ZINC000113959414 364920287 /nfs/dbraw/zinc/92/02/87/364920287.db2.gz LYGXFTMQOFBIGU-UHFFFAOYSA-N 1 2 298.814 2.246 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000179661205 368346657 /nfs/dbraw/zinc/34/66/57/368346657.db2.gz LYTAYDOFWOLUQP-LBPRGKRZSA-N 1 2 283.755 2.491 20 10 CECDLO CCOC(=O)[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](C)CC ZINC000187870822 369240656 /nfs/dbraw/zinc/24/06/56/369240656.db2.gz JXCIEGJQKHQGIH-SMDDNHRTSA-N 1 2 295.379 2.468 20 10 CECDLO COC[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000231606214 370482059 /nfs/dbraw/zinc/48/20/59/370482059.db2.gz LWPUJPKPQOONPI-JTQLQIEISA-N 1 2 294.178 2.186 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000289114435 376387704 /nfs/dbraw/zinc/38/77/04/376387704.db2.gz DBAJXWYBXIQGFO-HNNXBMFYSA-N 1 2 297.782 2.427 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000289114435 376387710 /nfs/dbraw/zinc/38/77/10/376387710.db2.gz DBAJXWYBXIQGFO-HNNXBMFYSA-N 1 2 297.782 2.427 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ncn(C)n1 ZINC000294756067 378017598 /nfs/dbraw/zinc/01/75/98/378017598.db2.gz RUJJOOZMJVXJHC-SSDOTTSWSA-N 1 2 284.722 2.164 20 10 CECDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(F)c(F)c1 ZINC000492903251 380724667 /nfs/dbraw/zinc/72/46/67/380724667.db2.gz SVHIOMAYOJNTMB-GORDUTHDSA-N 1 2 263.247 2.364 20 10 CECDLO Oc1ccccc1C[N@@H+](Cc1cnc[nH]1)C[C@@H]1CCCO1 ZINC000179570325 395196892 /nfs/dbraw/zinc/19/68/92/395196892.db2.gz WTVXHOAUWAKRDR-HNNXBMFYSA-N 1 2 287.363 2.297 20 10 CECDLO Oc1ccccc1C[N@H+](Cc1cnc[nH]1)C[C@@H]1CCCO1 ZINC000179570325 395196895 /nfs/dbraw/zinc/19/68/95/395196895.db2.gz WTVXHOAUWAKRDR-HNNXBMFYSA-N 1 2 287.363 2.297 20 10 CECDLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000493591913 262199572 /nfs/dbraw/zinc/19/95/72/262199572.db2.gz QUXYEVZQKBZQSX-JMEBYUIHSA-N 1 2 269.304 2.237 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000368800347 267206705 /nfs/dbraw/zinc/20/67/05/267206705.db2.gz NLNAAKHSVSYBPO-NSHDSACASA-N 1 2 253.729 2.002 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368800347 267206707 /nfs/dbraw/zinc/20/67/07/267206707.db2.gz NLNAAKHSVSYBPO-NSHDSACASA-N 1 2 253.729 2.002 20 10 CECDLO CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc(Cl)c1O ZINC000287635075 288086594 /nfs/dbraw/zinc/08/65/94/288086594.db2.gz KOIMUGFCAFXKSE-CABZTGNLSA-N 1 2 282.771 2.317 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC000050152798 518280189 /nfs/dbraw/zinc/28/01/89/518280189.db2.gz DOPIHYGCZPKYAM-LBPRGKRZSA-N 1 2 283.755 2.205 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](O)C2)c1O ZINC000050152798 518280190 /nfs/dbraw/zinc/28/01/90/518280190.db2.gz DOPIHYGCZPKYAM-LBPRGKRZSA-N 1 2 283.755 2.205 20 10 CECDLO CCOc1ccc(O)c(CNc2ccc(CO)c[nH+]2)c1 ZINC000291677162 521155821 /nfs/dbraw/zinc/15/58/21/521155821.db2.gz WVXGXCXQCDWPAC-UHFFFAOYSA-N 1 2 274.320 2.290 20 10 CECDLO COC[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCCO1 ZINC000279440089 522751175 /nfs/dbraw/zinc/75/11/75/522751175.db2.gz PDBDBPLHZGJZPA-STQMWFEESA-N 1 2 285.771 2.329 20 10 CECDLO COc1cccc(CNc2ccc(N(C)C)[nH+]c2)c1O ZINC000036989037 526041339 /nfs/dbraw/zinc/04/13/39/526041339.db2.gz XGGJTKJCCOUESA-UHFFFAOYSA-N 1 2 273.336 2.474 20 10 CECDLO Cc1nc(C(C)(C)[NH2+]Cc2cc(C)ccc2O)no1 ZINC000264994604 526663597 /nfs/dbraw/zinc/66/35/97/526663597.db2.gz XRRIFHISQPBMLV-UHFFFAOYSA-N 1 2 261.325 2.417 20 10 CECDLO CC[N@@H+](Cc1cc(F)cc(F)c1O)C[C@@H](O)C(F)(F)F ZINC000894494040 629495494 /nfs/dbraw/zinc/49/54/94/629495494.db2.gz LOMLRBGWCFTJSM-SNVBAGLBSA-N 1 2 299.239 2.416 20 10 CECDLO CC[N@H+](Cc1cc(F)cc(F)c1O)C[C@@H](O)C(F)(F)F ZINC000894494040 629495497 /nfs/dbraw/zinc/49/54/97/629495497.db2.gz LOMLRBGWCFTJSM-SNVBAGLBSA-N 1 2 299.239 2.416 20 10 CECDLO C[N@H+](Cc1cc(F)cc(F)c1O)[C@H]1CC[C@H](O)CC1 ZINC000894535294 629518863 /nfs/dbraw/zinc/51/88/63/629518863.db2.gz YLDHWJAVQNODFT-HAQNSBGRSA-N 1 2 271.307 2.406 20 10 CECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)[C@H]1CC[C@H](O)CC1 ZINC000894535294 629518866 /nfs/dbraw/zinc/51/88/66/629518866.db2.gz YLDHWJAVQNODFT-HAQNSBGRSA-N 1 2 271.307 2.406 20 10 CECDLO CC[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)OC ZINC000895120766 629923061 /nfs/dbraw/zinc/92/30/61/629923061.db2.gz BHWIDYAPHJUFDK-QMMMGPOBSA-N 1 2 289.734 2.474 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000895363505 630139625 /nfs/dbraw/zinc/13/96/25/630139625.db2.gz DVHNPCUXCPIZAV-UHFFFAOYSA-N 1 2 279.290 2.342 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCc2n[nH]cc2C1 ZINC000895363505 630139631 /nfs/dbraw/zinc/13/96/31/630139631.db2.gz DVHNPCUXCPIZAV-UHFFFAOYSA-N 1 2 279.290 2.342 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726811 635486440 /nfs/dbraw/zinc/48/64/40/635486440.db2.gz VEMPGLMSLQDNPB-GFCCVEGCSA-N 1 2 277.698 2.248 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726811 635486446 /nfs/dbraw/zinc/48/64/46/635486446.db2.gz VEMPGLMSLQDNPB-GFCCVEGCSA-N 1 2 277.698 2.248 20 10 CECDLO O=C(CCc1[nH]cc[nH+]1)NCCCSc1nccs1 ZINC000806851218 631781537 /nfs/dbraw/zinc/78/15/37/631781537.db2.gz JRLRJIPNIDNYSX-UHFFFAOYSA-N 1 2 296.421 2.097 20 10 CECDLO CN(C)c1ccc(/C=C\C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000897784379 631915324 /nfs/dbraw/zinc/91/53/24/631915324.db2.gz DJEWRWPVVVRSEB-HYXAFXHYSA-N 1 2 299.418 2.072 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)cc1Cl ZINC000898187330 632101181 /nfs/dbraw/zinc/10/11/81/632101181.db2.gz FFVNTXIVCLNDAZ-VXGBXAGGSA-N 1 2 273.735 2.259 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)cc1Cl ZINC000898187330 632101184 /nfs/dbraw/zinc/10/11/84/632101184.db2.gz FFVNTXIVCLNDAZ-VXGBXAGGSA-N 1 2 273.735 2.259 20 10 CECDLO Nc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c[nH+]1 ZINC000899341638 632792361 /nfs/dbraw/zinc/79/23/61/632792361.db2.gz GCFKJTPLQYIZAE-FLIBITNWSA-N 1 2 288.376 2.120 20 10 CECDLO CCN(C)c1ccc(C[N@H+](C)[C@H](C)C(=O)OC)cc1 ZINC000815108677 632961587 /nfs/dbraw/zinc/96/15/87/632961587.db2.gz LIMSDZPUPCRWAQ-GFCCVEGCSA-N 1 2 264.369 2.136 20 10 CECDLO CCN(C)c1ccc(C[N@@H+](C)[C@H](C)C(=O)OC)cc1 ZINC000815108677 632961589 /nfs/dbraw/zinc/96/15/89/632961589.db2.gz LIMSDZPUPCRWAQ-GFCCVEGCSA-N 1 2 264.369 2.136 20 10 CECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(F)F)c1 ZINC000815644096 633044231 /nfs/dbraw/zinc/04/42/31/633044231.db2.gz SENPXQPFOSXLOW-QMMMGPOBSA-N 1 2 273.279 2.485 20 10 CECDLO CCn1c[nH+]cc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000901436526 634113818 /nfs/dbraw/zinc/11/38/18/634113818.db2.gz UWVCWTOUXDETOD-XYOKQWHBSA-N 1 2 290.392 2.359 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503823 634932670 /nfs/dbraw/zinc/93/26/70/634932670.db2.gz LSVIDWZSZWBAKF-GFCCVEGCSA-N 1 2 292.770 2.474 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503823 634932674 /nfs/dbraw/zinc/93/26/74/634932674.db2.gz LSVIDWZSZWBAKF-GFCCVEGCSA-N 1 2 292.770 2.474 20 10 CECDLO COc1cccc(O)c1C[NH2+]Cc1nn(C)cc1Cl ZINC000824758642 635493056 /nfs/dbraw/zinc/49/30/56/635493056.db2.gz YNDAANXNFSNNOA-UHFFFAOYSA-N 1 2 281.743 2.078 20 10 CECDLO CO[C@H](C[NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCOC1 ZINC000826822060 635854553 /nfs/dbraw/zinc/85/45/53/635854553.db2.gz JXMQPMCWEFKCIF-DGCLKSJQSA-N 1 2 285.771 2.187 20 10 CECDLO CCOc1cccc(C[N@H+](C)Cc2nnc(C)o2)c1O ZINC000827039186 636195165 /nfs/dbraw/zinc/19/51/65/636195165.db2.gz JUDNAMWQOHCBCU-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO CCOc1cccc(C[N@@H+](C)Cc2nnc(C)o2)c1O ZINC000827039186 636195170 /nfs/dbraw/zinc/19/51/70/636195170.db2.gz JUDNAMWQOHCBCU-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000827960259 636470854 /nfs/dbraw/zinc/47/08/54/636470854.db2.gz MNXMENAECRSRHQ-RYUDHWBXSA-N 1 2 285.347 2.029 20 10 CECDLO Cc1cccc(C[N@@H+]2CCCc3[nH]ncc3C2)c1O ZINC000828014119 636487113 /nfs/dbraw/zinc/48/71/13/636487113.db2.gz UULCXSTWZHJFRD-UHFFFAOYSA-N 1 2 257.337 2.372 20 10 CECDLO Cc1cccc(C[N@H+]2CCCc3[nH]ncc3C2)c1O ZINC000828014119 636487118 /nfs/dbraw/zinc/48/71/18/636487118.db2.gz UULCXSTWZHJFRD-UHFFFAOYSA-N 1 2 257.337 2.372 20 10 CECDLO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876510088 650295753 /nfs/dbraw/zinc/29/57/53/650295753.db2.gz OJHFEQDCFJASBK-NSHDSACASA-N 1 2 299.317 2.446 20 10 CECDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876510088 650295755 /nfs/dbraw/zinc/29/57/55/650295755.db2.gz OJHFEQDCFJASBK-NSHDSACASA-N 1 2 299.317 2.446 20 10 CECDLO CCOC(=O)C[N@H+](Cc1ccc(C)cc1O)C1CC1 ZINC000876609668 650358077 /nfs/dbraw/zinc/35/80/77/650358077.db2.gz QXCMSTZHMSCSPQ-UHFFFAOYSA-N 1 2 263.337 2.228 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1ccc(C)cc1O)C1CC1 ZINC000876609668 650358079 /nfs/dbraw/zinc/35/80/79/650358079.db2.gz QXCMSTZHMSCSPQ-UHFFFAOYSA-N 1 2 263.337 2.228 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835025773 638029403 /nfs/dbraw/zinc/02/94/03/638029403.db2.gz NIAYNBGCVUVDPL-NBUZRDOWSA-N 1 2 288.391 2.403 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835025773 638029405 /nfs/dbraw/zinc/02/94/05/638029405.db2.gz NIAYNBGCVUVDPL-NBUZRDOWSA-N 1 2 288.391 2.403 20 10 CECDLO CN(C)c1cccc(C[NH2+]Cc2ccc(F)c(F)c2O)n1 ZINC000877117704 650580096 /nfs/dbraw/zinc/58/00/96/650580096.db2.gz PZYQCGKQVLBTMV-UHFFFAOYSA-N 1 2 293.317 2.421 20 10 CECDLO CC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)[C@@H](O)C(F)(F)F ZINC000877126451 650584922 /nfs/dbraw/zinc/58/49/22/650584922.db2.gz KWVNPEURDKKJLG-GZMMTYOYSA-N 1 2 299.239 2.462 20 10 CECDLO COc1c(O)c(C[N@@H+]2CCC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000846119960 641192918 /nfs/dbraw/zinc/19/29/18/641192918.db2.gz LKBNEDHZMNROKY-JTQLQIEISA-N 1 2 284.287 2.243 20 10 CECDLO COc1c(O)c(C[N@H+]2CCC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000846119960 641192919 /nfs/dbraw/zinc/19/29/19/641192919.db2.gz LKBNEDHZMNROKY-JTQLQIEISA-N 1 2 284.287 2.243 20 10 CECDLO Cc1cccc(CN2CC[NH+](CCOC(C)C)CC2)c1O ZINC000180375160 641452187 /nfs/dbraw/zinc/45/21/87/641452187.db2.gz ABAWFANXFDGVQC-UHFFFAOYSA-N 1 2 292.423 2.243 20 10 CECDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877409259 650710833 /nfs/dbraw/zinc/71/08/33/650710833.db2.gz ONXPVPDQPZDQQE-NXEZZACHSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877409259 650710835 /nfs/dbraw/zinc/71/08/35/650710835.db2.gz ONXPVPDQPZDQQE-NXEZZACHSA-N 1 2 270.323 2.195 20 10 CECDLO Cc1noc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)n1 ZINC000848503604 642016240 /nfs/dbraw/zinc/01/62/40/642016240.db2.gz JWTPFHMGQHZANO-UHFFFAOYSA-N 1 2 273.336 2.204 20 10 CECDLO Cc1noc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)n1 ZINC000848503604 642016244 /nfs/dbraw/zinc/01/62/44/642016244.db2.gz JWTPFHMGQHZANO-UHFFFAOYSA-N 1 2 273.336 2.204 20 10 CECDLO CN(C)c1ccc(C[N@H+](C)CN2CCSC2=O)cc1 ZINC000073389044 642073873 /nfs/dbraw/zinc/07/38/73/642073873.db2.gz BTXZULNQDCKQBA-UHFFFAOYSA-N 1 2 279.409 2.311 20 10 CECDLO CN(C)c1ccc(C[N@@H+](C)CN2CCSC2=O)cc1 ZINC000073389044 642073876 /nfs/dbraw/zinc/07/38/76/642073876.db2.gz BTXZULNQDCKQBA-UHFFFAOYSA-N 1 2 279.409 2.311 20 10 CECDLO CN1CC[NH+]=C1NCc1cc(Cl)cc(Cl)c1O ZINC000849028133 642241168 /nfs/dbraw/zinc/24/11/68/642241168.db2.gz BXFAOXDXNDRDCY-UHFFFAOYSA-N 1 2 274.151 2.090 20 10 CECDLO Cc1nnc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)o1 ZINC000852471392 643436003 /nfs/dbraw/zinc/43/60/03/643436003.db2.gz NUMVXAPOGBTEOZ-UHFFFAOYSA-N 1 2 274.368 2.384 20 10 CECDLO Cc1nnc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)o1 ZINC000852471392 643436009 /nfs/dbraw/zinc/43/60/09/643436009.db2.gz NUMVXAPOGBTEOZ-UHFFFAOYSA-N 1 2 274.368 2.384 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000877677294 650845838 /nfs/dbraw/zinc/84/58/38/650845838.db2.gz RJCHMJMOCZELOD-SECBINFHSA-N 1 2 283.677 2.290 20 10 CECDLO CO[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1OC ZINC000754153940 644331566 /nfs/dbraw/zinc/33/15/66/644331566.db2.gz KQHCTYCGIWZEBL-TXEJJXNPSA-N 1 2 289.734 2.030 20 10 CECDLO CO[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1OC ZINC000754153940 644331573 /nfs/dbraw/zinc/33/15/73/644331573.db2.gz KQHCTYCGIWZEBL-TXEJJXNPSA-N 1 2 289.734 2.030 20 10 CECDLO CC[C@H]([NH2+]C[C@@](C)(O)COC)c1cccc(Cl)c1O ZINC000806140702 644423347 /nfs/dbraw/zinc/42/33/47/644423347.db2.gz ZOSPYCBZKMWRLU-GXTWGEPZSA-N 1 2 287.787 2.484 20 10 CECDLO C[C@@H]([NH2+]Cc1nccn1C)c1cc(F)cc(F)c1O ZINC000756539716 644660979 /nfs/dbraw/zinc/66/09/79/644660979.db2.gz SIKLBMXVPVUUFF-MRVPVSSYSA-N 1 2 267.279 2.255 20 10 CECDLO CC(C)N1C[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1=O ZINC000756736540 644688443 /nfs/dbraw/zinc/68/84/43/644688443.db2.gz IFGVPYXYCHFSMH-GXSJLCMTSA-N 1 2 298.333 2.330 20 10 CECDLO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCOC2=O)cc1 ZINC000857757563 644965273 /nfs/dbraw/zinc/96/52/73/644965273.db2.gz NCFCAIIEAKVVLS-HNNXBMFYSA-N 1 2 276.380 2.280 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H]2CCOC2=O)cc1 ZINC000857757563 644965279 /nfs/dbraw/zinc/96/52/79/644965279.db2.gz NCFCAIIEAKVVLS-HNNXBMFYSA-N 1 2 276.380 2.280 20 10 CECDLO OC[C@H](CC(F)F)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000763539056 645556083 /nfs/dbraw/zinc/55/60/83/645556083.db2.gz PXDQCZBLJQBHOQ-QMMMGPOBSA-N 1 2 283.677 2.290 20 10 CECDLO OCC1(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000118906949 646416954 /nfs/dbraw/zinc/41/69/54/646416954.db2.gz DLYKOYWLUIFIDS-UHFFFAOYSA-N 1 2 286.169 2.017 20 10 CECDLO COc1cccc(CNc2[nH+]cccc2OC)c1O ZINC000776253153 647042687 /nfs/dbraw/zinc/04/26/87/647042687.db2.gz JOSNNERDLPCCCJ-UHFFFAOYSA-N 1 2 260.293 2.417 20 10 CECDLO CCc1nnc(C[N@H+](C)Cc2ccccc2O)s1 ZINC000784179455 647816543 /nfs/dbraw/zinc/81/65/43/647816543.db2.gz XAEUYGYDPTWNSQ-UHFFFAOYSA-N 1 2 263.366 2.438 20 10 CECDLO CCc1nnc(C[N@@H+](C)Cc2ccccc2O)s1 ZINC000784179455 647816547 /nfs/dbraw/zinc/81/65/47/647816547.db2.gz XAEUYGYDPTWNSQ-UHFFFAOYSA-N 1 2 263.366 2.438 20 10 CECDLO CCn1ncnc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000793341975 648744369 /nfs/dbraw/zinc/74/43/69/648744369.db2.gz AJRSKSAASUULOK-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO [NH3+][C@@H]1CCCCCN(Cc2cccc(F)c2O)C1 ZINC000873214198 649592260 /nfs/dbraw/zinc/59/22/60/649592260.db2.gz AWPALXCKTRBPJM-GFCCVEGCSA-N 1 2 252.333 2.235 20 10 CECDLO CC[N@H+]1[C@H](C)CN(C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000880609473 651470515 /nfs/dbraw/zinc/47/05/15/651470515.db2.gz WTOHDTRVMLOOKX-AOOOYVTPSA-N 1 2 268.382 2.008 20 10 CECDLO CC[N@@H+]1[C@H](C)CN(C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000880609473 651470518 /nfs/dbraw/zinc/47/05/18/651470518.db2.gz WTOHDTRVMLOOKX-AOOOYVTPSA-N 1 2 268.382 2.008 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000883147454 652379319 /nfs/dbraw/zinc/37/93/19/652379319.db2.gz VUXARQNEUBHQAJ-SNVBAGLBSA-N 1 2 292.276 2.099 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001142509111 806609635 /nfs/dbraw/zinc/60/96/35/806609635.db2.gz XCQJFZRCZRRXOW-NSHDSACASA-N 1 2 297.223 2.170 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001142509111 806609638 /nfs/dbraw/zinc/60/96/38/806609638.db2.gz XCQJFZRCZRRXOW-NSHDSACASA-N 1 2 297.223 2.170 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CC[C@H](O)C(F)F ZINC000716745836 803113976 /nfs/dbraw/zinc/11/39/76/803113976.db2.gz OMSXTPMYJNKVKK-VIFPVBQESA-N 1 2 265.687 2.151 20 10 CECDLO CO[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000706511794 809827856 /nfs/dbraw/zinc/82/78/56/809827856.db2.gz MQXSXDZHUPBLQT-MGCOHNPYSA-N 1 2 286.169 2.422 20 10 CECDLO Oc1c(Br)cccc1C[NH2+]CCc1cn[nH]c1 ZINC000379585224 811098376 /nfs/dbraw/zinc/09/83/76/811098376.db2.gz XUOFWLIDBWXNPT-UHFFFAOYSA-N 1 2 296.168 2.210 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001137832672 815691497 /nfs/dbraw/zinc/69/14/97/815691497.db2.gz DAFGVVOHWMVTNQ-NSHDSACASA-N 1 2 279.233 2.030 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001137832672 815691503 /nfs/dbraw/zinc/69/15/03/815691503.db2.gz DAFGVVOHWMVTNQ-NSHDSACASA-N 1 2 279.233 2.030 20 10 CECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138258264 815756227 /nfs/dbraw/zinc/75/62/27/815756227.db2.gz NRAABUOTUNJLQW-GFCCVEGCSA-N 1 2 274.364 2.480 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138258264 815756232 /nfs/dbraw/zinc/75/62/32/815756232.db2.gz NRAABUOTUNJLQW-GFCCVEGCSA-N 1 2 274.364 2.480 20 10 CECDLO CCN(CC)c1ccc(C[NH+]2CC(C)(O)C2)c(OC)c1 ZINC001138385845 815784473 /nfs/dbraw/zinc/78/44/73/815784473.db2.gz ATVYMVLSWVNPFF-UHFFFAOYSA-N 1 2 278.396 2.108 20 10 CECDLO COc1ccc(CNC(=O)c2cc3c[nH+]ccc3[nH]2)c(O)c1 ZINC001139031617 815948427 /nfs/dbraw/zinc/94/84/27/815948427.db2.gz CKRFMKPMWKUTBU-UHFFFAOYSA-N 1 2 297.314 2.207 20 10 CECDLO OC[C@@H]1CCCC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140579936 816288978 /nfs/dbraw/zinc/28/89/78/816288978.db2.gz NCKYOYLNUIINSK-JTQLQIEISA-N 1 2 257.280 2.017 20 10 CECDLO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140582065 816290540 /nfs/dbraw/zinc/29/05/40/816290540.db2.gz BDSCGPRTSVUOQL-UWVGGRQHSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140582065 816290543 /nfs/dbraw/zinc/29/05/43/816290543.db2.gz BDSCGPRTSVUOQL-UWVGGRQHSA-N 1 2 271.307 2.263 20 10 CECDLO Cc1ccc(C[N@@H+]2CC(F)(F)C[C@]2(C)CO)c(O)c1 ZINC001140947962 816422456 /nfs/dbraw/zinc/42/24/56/816422456.db2.gz NKINPPBBYWDYMD-CYBMUJFWSA-N 1 2 271.307 2.293 20 10 CECDLO Cc1ccc(C[N@H+]2CC(F)(F)C[C@]2(C)CO)c(O)c1 ZINC001140947962 816422460 /nfs/dbraw/zinc/42/24/60/816422460.db2.gz NKINPPBBYWDYMD-CYBMUJFWSA-N 1 2 271.307 2.293 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3ccno3)CC2)cc1 ZINC000072577055 343806249 /nfs/dbraw/zinc/80/62/49/343806249.db2.gz OYCXYGSFTRHDHA-UHFFFAOYSA-N 1 2 273.336 2.005 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(F)c(F)c1O ZINC000367713076 299312124 /nfs/dbraw/zinc/31/21/24/299312124.db2.gz PPRVMVOPWOYEAX-DMLMCSCLSA-N 1 2 269.291 2.213 20 10 CECDLO CNC(=O)CCC[N@H+](C)Cc1cccc(Cl)c1O ZINC000180506501 368384432 /nfs/dbraw/zinc/38/44/32/368384432.db2.gz VZIUGPWFJJFCKF-UHFFFAOYSA-N 1 2 270.760 2.004 20 10 CECDLO CNC(=O)CCC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180506501 368384435 /nfs/dbraw/zinc/38/44/35/368384435.db2.gz VZIUGPWFJJFCKF-UHFFFAOYSA-N 1 2 270.760 2.004 20 10 CECDLO COC[C@H](O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000231606223 370482178 /nfs/dbraw/zinc/48/21/78/370482178.db2.gz LWPUJPKPQOONPI-SNVBAGLBSA-N 1 2 294.178 2.186 20 10 CECDLO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(F)c(F)c1O ZINC000187751576 299423064 /nfs/dbraw/zinc/42/30/64/299423064.db2.gz RYRWCURNASOQKY-KWQFWETISA-N 1 2 294.305 2.448 20 10 CECDLO C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cc(F)ccc1O ZINC000359956885 371494651 /nfs/dbraw/zinc/49/46/51/371494651.db2.gz FZFTVIOIWVGDDL-SKDRFNHKSA-N 1 2 275.327 2.463 20 10 CECDLO CCOc1cccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1O ZINC000271175569 373161938 /nfs/dbraw/zinc/16/19/38/373161938.db2.gz FUUNDNFJQPIYJU-HTGLOVNISA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1cccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1O ZINC000271175569 373161948 /nfs/dbraw/zinc/16/19/48/373161948.db2.gz FUUNDNFJQPIYJU-HTGLOVNISA-N 1 2 297.420 2.132 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCC1(O)CCC1 ZINC000285035892 375833493 /nfs/dbraw/zinc/83/34/93/375833493.db2.gz KRFMLPQDDOEXRK-UHFFFAOYSA-N 1 2 255.745 2.440 20 10 CECDLO CC[C@@H]([NH2+]Cc1ncn(C)n1)c1cccc(Cl)c1O ZINC000287625123 376278566 /nfs/dbraw/zinc/27/85/66/376278566.db2.gz KAKPCVIJQBHSGX-LLVKDONJSA-N 1 2 280.759 2.415 20 10 CECDLO OCC1(CC[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000395892678 803704148 /nfs/dbraw/zinc/70/41/48/803704148.db2.gz IBFOSVHTKBSIDR-UHFFFAOYSA-N 1 2 255.745 2.298 20 10 CECDLO OC[C@]1(F)CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293918296 377826064 /nfs/dbraw/zinc/82/60/64/377826064.db2.gz MJUSTHLKSZAMPA-ZDUSSCGKSA-N 1 2 291.725 2.481 20 10 CECDLO OC[C@]1(F)CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000293918296 377826071 /nfs/dbraw/zinc/82/60/71/377826071.db2.gz MJUSTHLKSZAMPA-ZDUSSCGKSA-N 1 2 291.725 2.481 20 10 CECDLO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000295122741 378042649 /nfs/dbraw/zinc/04/26/49/378042649.db2.gz NLIPYOLMIJBKPB-NSHDSACASA-N 1 2 298.770 2.318 20 10 CECDLO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000295122741 378042654 /nfs/dbraw/zinc/04/26/54/378042654.db2.gz NLIPYOLMIJBKPB-NSHDSACASA-N 1 2 298.770 2.318 20 10 CECDLO COC(=O)C[N@H+](Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000271753560 394763553 /nfs/dbraw/zinc/76/35/53/394763553.db2.gz CKOHMDLZLHPEPB-UHFFFAOYSA-N 1 2 283.755 2.491 20 10 CECDLO COC(=O)C[N@@H+](Cc1cc(Cl)cc(C)c1O)C1CC1 ZINC000271753560 394763556 /nfs/dbraw/zinc/76/35/56/394763556.db2.gz CKOHMDLZLHPEPB-UHFFFAOYSA-N 1 2 283.755 2.491 20 10 CECDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC000373752172 395065634 /nfs/dbraw/zinc/06/56/34/395065634.db2.gz VQYBIOAJZRSSJX-KGLIPLIRSA-N 1 2 293.338 2.101 20 10 CECDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000373752172 395065639 /nfs/dbraw/zinc/06/56/39/395065639.db2.gz VQYBIOAJZRSSJX-KGLIPLIRSA-N 1 2 293.338 2.101 20 10 CECDLO Cc1cc(Cl)cc(C[NH+]2CCN(C)CC2)c1O ZINC000183369234 395255451 /nfs/dbraw/zinc/25/54/51/395255451.db2.gz UCVLVKOJXYUWHC-UHFFFAOYSA-N 1 2 254.761 2.101 20 10 CECDLO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000183379395 395256265 /nfs/dbraw/zinc/25/62/65/395256265.db2.gz GOVINMVGHUJOMD-LBPRGKRZSA-N 1 2 296.798 2.394 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC(C)(C)C2)c1O ZINC000037328958 173129770 /nfs/dbraw/zinc/12/97/70/173129770.db2.gz KKLWUDBBIKJFAJ-UHFFFAOYSA-N 1 2 281.327 2.345 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC(C)(C)C2)c1O ZINC000037328958 173129772 /nfs/dbraw/zinc/12/97/72/173129772.db2.gz KKLWUDBBIKJFAJ-UHFFFAOYSA-N 1 2 281.327 2.345 20 10 CECDLO Cc1nnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1C ZINC000299088419 263230616 /nfs/dbraw/zinc/23/06/16/263230616.db2.gz SZTRORRNSNKDIF-UHFFFAOYSA-N 1 2 299.422 2.354 20 10 CECDLO Cc1nnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1C ZINC000299088419 263230617 /nfs/dbraw/zinc/23/06/17/263230617.db2.gz SZTRORRNSNKDIF-UHFFFAOYSA-N 1 2 299.422 2.354 20 10 CECDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000368974801 267215047 /nfs/dbraw/zinc/21/50/47/267215047.db2.gz PEHTXSIPDAVFJP-XWIASGKRSA-N 1 2 294.782 2.131 20 10 CECDLO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1O ZINC000368974801 267215049 /nfs/dbraw/zinc/21/50/49/267215049.db2.gz PEHTXSIPDAVFJP-XWIASGKRSA-N 1 2 294.782 2.131 20 10 CECDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cccc(F)c1O ZINC000276064751 520948728 /nfs/dbraw/zinc/94/87/28/520948728.db2.gz VPDPIMVFAXVJRY-HNNXBMFYSA-N 1 2 280.343 2.022 20 10 CECDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cccc(F)c1O ZINC000276064751 520948733 /nfs/dbraw/zinc/94/87/33/520948733.db2.gz VPDPIMVFAXVJRY-HNNXBMFYSA-N 1 2 280.343 2.022 20 10 CECDLO COC(=O)COc1ccc([N@H+](C)C[C@@H]2CCSC2)cc1 ZINC000278806345 523222567 /nfs/dbraw/zinc/22/25/67/523222567.db2.gz WWFHQVPSSWAOOO-LBPRGKRZSA-N 1 2 295.404 2.428 20 10 CECDLO COC(=O)COc1ccc([N@@H+](C)C[C@@H]2CCSC2)cc1 ZINC000278806345 523222574 /nfs/dbraw/zinc/22/25/74/523222574.db2.gz WWFHQVPSSWAOOO-LBPRGKRZSA-N 1 2 295.404 2.428 20 10 CECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000280451164 523524515 /nfs/dbraw/zinc/52/45/15/523524515.db2.gz DLXOJMJEKVSYML-MRVPVSSYSA-N 1 2 287.743 2.048 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000280451164 523524529 /nfs/dbraw/zinc/52/45/29/523524529.db2.gz DLXOJMJEKVSYML-MRVPVSSYSA-N 1 2 287.743 2.048 20 10 CECDLO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)CC[S@@]1=O ZINC000277601071 524294867 /nfs/dbraw/zinc/29/48/67/524294867.db2.gz LEKKNYUEPPUNOO-XTZNXHDOSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)CC[S@@]1=O ZINC000277601071 524294872 /nfs/dbraw/zinc/29/48/72/524294872.db2.gz LEKKNYUEPPUNOO-XTZNXHDOSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H](c1nc(N)nc(Cl)n1)[N@H+](C)Cc1ccccc1O ZINC000289482990 526176224 /nfs/dbraw/zinc/17/62/24/526176224.db2.gz BUDQKIBVMKUNPX-MRVPVSSYSA-N 1 2 293.758 2.006 20 10 CECDLO C[C@H](c1nc(N)nc(Cl)n1)[N@@H+](C)Cc1ccccc1O ZINC000289482990 526176233 /nfs/dbraw/zinc/17/62/33/526176233.db2.gz BUDQKIBVMKUNPX-MRVPVSSYSA-N 1 2 293.758 2.006 20 10 CECDLO C[C@H]([NH2+][C@H]1CCN(C)C1)c1cc(F)cc(F)c1O ZINC000756534703 574819725 /nfs/dbraw/zinc/81/97/25/574819725.db2.gz NAEKDOUHCWCKMU-WPRPVWTQSA-N 1 2 256.296 2.025 20 10 CECDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(F)cc(F)c1O)CCO2 ZINC000894603524 629548645 /nfs/dbraw/zinc/54/86/45/629548645.db2.gz ZJNMPHYIKJQCKE-ZUZCIYMTSA-N 1 2 299.317 2.050 20 10 CECDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(F)cc(F)c1O)CCO2 ZINC000894603524 629548648 /nfs/dbraw/zinc/54/86/48/629548648.db2.gz ZJNMPHYIKJQCKE-ZUZCIYMTSA-N 1 2 299.317 2.050 20 10 CECDLO CC[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(F)cc1O ZINC000796817712 630021015 /nfs/dbraw/zinc/02/10/15/630021015.db2.gz KFUXDPMOCKYQMM-LBPRGKRZSA-N 1 2 291.330 2.094 20 10 CECDLO CCc1cccc(C[NH2+]Cc2nc(CSC)n[nH]2)c1O ZINC000895813180 630358741 /nfs/dbraw/zinc/35/87/41/630358741.db2.gz FYCNKTNXQKFVSS-UHFFFAOYSA-N 1 2 292.408 2.226 20 10 CECDLO Cc1cn(C(C)(C)C(=O)NCc2c(O)cccc2F)c[nH+]1 ZINC000928712792 631131046 /nfs/dbraw/zinc/13/10/46/631131046.db2.gz VAZQEEAZXJPAMP-UHFFFAOYSA-N 1 2 291.326 2.088 20 10 CECDLO CCOc1ccc(O)c(C[N@H+](C)Cc2cnc[nH]2)c1 ZINC000826769841 635842555 /nfs/dbraw/zinc/84/25/55/635842555.db2.gz SPZJNFZDHWRJAK-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2cnc[nH]2)c1 ZINC000826769841 635842560 /nfs/dbraw/zinc/84/25/60/635842560.db2.gz SPZJNFZDHWRJAK-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO CCOc1ccc(O)c(C[N@H+](C)Cc2c[nH]cn2)c1 ZINC000826769841 635842565 /nfs/dbraw/zinc/84/25/65/635842565.db2.gz SPZJNFZDHWRJAK-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2c[nH]cn2)c1 ZINC000826769841 635842570 /nfs/dbraw/zinc/84/25/70/635842570.db2.gz SPZJNFZDHWRJAK-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO CCN(C)c1ccc(C[N@@H+]2CC[S@](=O)CC2(C)C)cc1 ZINC000815098133 632959206 /nfs/dbraw/zinc/95/92/06/632959206.db2.gz BJAFEUWEHQROOF-FQEVSTJZSA-N 1 2 294.464 2.486 20 10 CECDLO CCN(C)c1ccc(C[N@H+]2CC[S@](=O)CC2(C)C)cc1 ZINC000815098133 632959208 /nfs/dbraw/zinc/95/92/08/632959208.db2.gz BJAFEUWEHQROOF-FQEVSTJZSA-N 1 2 294.464 2.486 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503824 634932702 /nfs/dbraw/zinc/93/27/02/634932702.db2.gz LSVIDWZSZWBAKF-LBPRGKRZSA-N 1 2 292.770 2.474 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503824 634932706 /nfs/dbraw/zinc/93/27/06/634932706.db2.gz LSVIDWZSZWBAKF-LBPRGKRZSA-N 1 2 292.770 2.474 20 10 CECDLO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O ZINC000903215727 635019056 /nfs/dbraw/zinc/01/90/56/635019056.db2.gz NSLMXKFXTGTSAM-ZJUUUORDSA-N 1 2 298.333 2.189 20 10 CECDLO CCn1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)nn1 ZINC000827086816 636209638 /nfs/dbraw/zinc/20/96/38/636209638.db2.gz DPFVOYQDVGFAJX-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO CN(C)c1ccc(/C=C/C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000827305336 636286111 /nfs/dbraw/zinc/28/61/11/636286111.db2.gz QNGWGUHOHNRQSK-AATRIKPKSA-N 1 2 285.395 2.026 20 10 CECDLO CN(C)c1ccc(/C=C/C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000827305336 636286113 /nfs/dbraw/zinc/28/61/13/636286113.db2.gz QNGWGUHOHNRQSK-AATRIKPKSA-N 1 2 285.395 2.026 20 10 CECDLO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000827812564 636430734 /nfs/dbraw/zinc/43/07/34/636430734.db2.gz PXOGJVWAKHEKLP-XWEPSHTISA-N 1 2 287.718 2.226 20 10 CECDLO C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1O ZINC000827964597 636473554 /nfs/dbraw/zinc/47/35/54/636473554.db2.gz ROAWMATUVGUJDC-NWDGAFQWSA-N 1 2 285.347 2.029 20 10 CECDLO OCC[N@H+](Cc1cccnc1)Cc1ccc(F)c(F)c1O ZINC000876690103 650401712 /nfs/dbraw/zinc/40/17/12/650401712.db2.gz RMJOSLBLGQMUBQ-UHFFFAOYSA-N 1 2 294.301 2.060 20 10 CECDLO OCC[N@@H+](Cc1cccnc1)Cc1ccc(F)c(F)c1O ZINC000876690103 650401714 /nfs/dbraw/zinc/40/17/14/650401714.db2.gz RMJOSLBLGQMUBQ-UHFFFAOYSA-N 1 2 294.301 2.060 20 10 CECDLO Oc1c(CN2CC[NH+](C3CCC3)CC2)ccc(F)c1F ZINC000876734273 650413630 /nfs/dbraw/zinc/41/36/30/650413630.db2.gz QWGNEFIXUUQMST-UHFFFAOYSA-N 1 2 282.334 2.341 20 10 CECDLO CCn1c[nH+]cc1CN(C)c1ccc2c(c1)OCO2 ZINC000841867561 639893963 /nfs/dbraw/zinc/89/39/63/639893963.db2.gz NHYLFUWCGOLLAF-UHFFFAOYSA-N 1 2 259.309 2.268 20 10 CECDLO CC[C@@H](C)C[C@H]([NH2+]Cc1ccccc1O)C(=O)OC ZINC000843416608 640420897 /nfs/dbraw/zinc/42/08/97/640420897.db2.gz VJNOLBDXQSHUCR-YPMHNXCESA-N 1 2 265.353 2.460 20 10 CECDLO Cn1cnc(CCC[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000843420396 640422159 /nfs/dbraw/zinc/42/21/59/640422159.db2.gz YFBKYSVTOHOTRI-UHFFFAOYSA-N 1 2 298.749 2.036 20 10 CECDLO CCOC(=O)C[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000179673104 641373020 /nfs/dbraw/zinc/37/30/20/641373020.db2.gz DATRNRVFZOHNDC-UHFFFAOYSA-N 1 2 271.744 2.349 20 10 CECDLO CCOC(=O)C[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000179673104 641373028 /nfs/dbraw/zinc/37/30/28/641373028.db2.gz DATRNRVFZOHNDC-UHFFFAOYSA-N 1 2 271.744 2.349 20 10 CECDLO Cc1cc(O)c(C[NH2+]Cc2nnn(C(C)(C)C)n2)cc1C ZINC000848564157 642055968 /nfs/dbraw/zinc/05/59/68/642055968.db2.gz IJTSFQHIJKWCQC-UHFFFAOYSA-N 1 2 289.383 2.040 20 10 CECDLO COC(=O)[C@@H](CC1CC1)[NH2+]Cc1ccc(C)cc1O ZINC000877588091 650802408 /nfs/dbraw/zinc/80/24/08/650802408.db2.gz VTTCCQRRCQGJGD-CYBMUJFWSA-N 1 2 263.337 2.132 20 10 CECDLO CCn1ccc(C[NH2+]Cc2ccc(F)c(F)c2O)n1 ZINC000877588235 650802674 /nfs/dbraw/zinc/80/26/74/650802674.db2.gz YCJYFCOCTXFLJG-UHFFFAOYSA-N 1 2 267.279 2.177 20 10 CECDLO C[C@@H]([NH2+]CC1(CO)CC1)c1cc(F)cc(F)c1O ZINC000756638104 644676494 /nfs/dbraw/zinc/67/64/94/644676494.db2.gz RRLLIWLUAKOORQ-MRVPVSSYSA-N 1 2 257.280 2.094 20 10 CECDLO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000761222217 645259639 /nfs/dbraw/zinc/25/96/39/645259639.db2.gz JCJPYBZWUSGKCB-CHWSQXEVSA-N 1 2 285.771 2.329 20 10 CECDLO CCCC[N@H+](CC(N)=O)Cc1cc(F)c(N(C)C)cc1F ZINC000862228616 646370847 /nfs/dbraw/zinc/37/08/47/646370847.db2.gz SZBZELYONGQAKV-UHFFFAOYSA-N 1 2 299.365 2.118 20 10 CECDLO CCCC[N@@H+](CC(N)=O)Cc1cc(F)c(N(C)C)cc1F ZINC000862228616 646370850 /nfs/dbraw/zinc/37/08/50/646370850.db2.gz SZBZELYONGQAKV-UHFFFAOYSA-N 1 2 299.365 2.118 20 10 CECDLO Oc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000862449627 646465444 /nfs/dbraw/zinc/46/54/44/646465444.db2.gz IDXHKSFVLBBEJF-UHFFFAOYSA-N 1 2 285.299 2.342 20 10 CECDLO Oc1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000862449627 646465449 /nfs/dbraw/zinc/46/54/49/646465449.db2.gz IDXHKSFVLBBEJF-UHFFFAOYSA-N 1 2 285.299 2.342 20 10 CECDLO O=C(C[NH2+]Cc1cccc(Cl)c1O)NCc1ccco1 ZINC000775928588 647007386 /nfs/dbraw/zinc/00/73/86/647007386.db2.gz BKZOEEGXYSPSRI-UHFFFAOYSA-N 1 2 294.738 2.045 20 10 CECDLO Oc1cccc2c1CN(c1cc(N3CCCC3)[nH+]cn1)C2 ZINC000866118523 647617879 /nfs/dbraw/zinc/61/78/79/647617879.db2.gz CDFUXBNMDOYQSW-UHFFFAOYSA-N 1 2 282.347 2.303 20 10 CECDLO Oc1cccc2c1CN(c1cc(N3CCCC3)nc[nH+]1)C2 ZINC000866118523 647617881 /nfs/dbraw/zinc/61/78/81/647617881.db2.gz CDFUXBNMDOYQSW-UHFFFAOYSA-N 1 2 282.347 2.303 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCn1cccn1 ZINC000124726202 649730654 /nfs/dbraw/zinc/73/06/54/649730654.db2.gz MVPLXJGHHCVQHZ-UHFFFAOYSA-N 1 2 251.717 2.032 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2c[nH]nc2C)c1O ZINC000879186552 651257029 /nfs/dbraw/zinc/25/70/29/651257029.db2.gz MBQZCQGJTJPUEN-UHFFFAOYSA-N 1 2 291.326 2.397 20 10 CECDLO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883039259 652340382 /nfs/dbraw/zinc/34/03/82/652340382.db2.gz IVIGNEBABPVJEX-YMTOWFKASA-N 1 2 282.334 2.243 20 10 CECDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237807955 808257689 /nfs/dbraw/zinc/25/76/89/808257689.db2.gz OUSWYTVMSLZFFK-QWRGUYRKSA-N 1 2 277.698 2.089 20 10 CECDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237807955 808257696 /nfs/dbraw/zinc/25/76/96/808257696.db2.gz OUSWYTVMSLZFFK-QWRGUYRKSA-N 1 2 277.698 2.089 20 10 CECDLO Oc1c(CN2CC[N@@H+]3CCCC[C@H]3C2)ccc(F)c1F ZINC000703449148 809650588 /nfs/dbraw/zinc/65/05/88/809650588.db2.gz ZIBICCFHFICVAF-LBPRGKRZSA-N 1 2 282.334 2.341 20 10 CECDLO Oc1c(CN2CC[N@H+]3CCCC[C@H]3C2)ccc(F)c1F ZINC000703449148 809650592 /nfs/dbraw/zinc/65/05/92/809650592.db2.gz ZIBICCFHFICVAF-LBPRGKRZSA-N 1 2 282.334 2.341 20 10 CECDLO CCC[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000703501532 809652934 /nfs/dbraw/zinc/65/29/34/809652934.db2.gz JWWAQUMVZSVXSY-UHFFFAOYSA-N 1 2 270.323 2.198 20 10 CECDLO C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2O)CCCO1 ZINC000703592377 809667319 /nfs/dbraw/zinc/66/73/19/809667319.db2.gz IDJVZYLKMLCJGU-SECBINFHSA-N 1 2 257.280 2.281 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)CCCO1 ZINC000703592377 809667321 /nfs/dbraw/zinc/66/73/21/809667321.db2.gz IDJVZYLKMLCJGU-SECBINFHSA-N 1 2 257.280 2.281 20 10 CECDLO CCN(CC)C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708517716 809944498 /nfs/dbraw/zinc/94/44/98/809944498.db2.gz SFZPJLAGNGWXJZ-JTQLQIEISA-N 1 2 272.339 2.490 20 10 CECDLO C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000383759918 812214626 /nfs/dbraw/zinc/21/46/26/812214626.db2.gz DOCGYTSIWLQICN-CYBMUJFWSA-N 1 2 255.745 2.296 20 10 CECDLO CC(C)CC(=O)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137839113 815695816 /nfs/dbraw/zinc/69/58/16/815695816.db2.gz RNTMDGNQAMIVSX-UHFFFAOYSA-N 1 2 294.370 2.222 20 10 CECDLO Cn1cnc2c1CC[N@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138356097 815774968 /nfs/dbraw/zinc/77/49/68/815774968.db2.gz HKNMFRKLUNYONA-UHFFFAOYSA-N 1 2 296.418 2.361 20 10 CECDLO Cn1cnc2c1CC[N@@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138356097 815774974 /nfs/dbraw/zinc/77/49/74/815774974.db2.gz HKNMFRKLUNYONA-UHFFFAOYSA-N 1 2 296.418 2.361 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)CCF ZINC001139129946 815965451 /nfs/dbraw/zinc/96/54/51/815965451.db2.gz LGPOVTFJOVYZKM-UHFFFAOYSA-N 1 2 265.284 2.208 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)CCF ZINC001139129946 815965455 /nfs/dbraw/zinc/96/54/55/815965455.db2.gz LGPOVTFJOVYZKM-UHFFFAOYSA-N 1 2 265.284 2.208 20 10 CECDLO N[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001206245712 816173007 /nfs/dbraw/zinc/17/30/07/816173007.db2.gz XWWIBHZVZPTBCO-LLVKDONJSA-N 1 2 296.239 2.136 20 10 CECDLO N[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001206245712 816173009 /nfs/dbraw/zinc/17/30/09/816173009.db2.gz XWWIBHZVZPTBCO-LLVKDONJSA-N 1 2 296.239 2.136 20 10 CECDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1c(O)cccc1Cl ZINC001140345160 816240150 /nfs/dbraw/zinc/24/01/50/816240150.db2.gz PTLOANKNJXGVAS-FOSCPWQOSA-N 1 2 297.782 2.424 20 10 CECDLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3ccc(Cl)cc3O)[C@H]2C1 ZINC001140463087 816260188 /nfs/dbraw/zinc/26/01/88/816260188.db2.gz SBFLZAIFJFICIW-XEGUGMAKSA-N 1 2 297.782 2.017 20 10 CECDLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3ccc(Cl)cc3O)[C@H]2C1 ZINC001140463087 816260192 /nfs/dbraw/zinc/26/01/92/816260192.db2.gz SBFLZAIFJFICIW-XEGUGMAKSA-N 1 2 297.782 2.017 20 10 CECDLO Oc1cc(Cl)ccc1C[NH+]1CCN(CCF)CC1 ZINC001140467280 816261666 /nfs/dbraw/zinc/26/16/66/816261666.db2.gz UBFKNBDLBCVSMV-UHFFFAOYSA-N 1 2 272.751 2.133 20 10 CECDLO CC[N@@H+]1CCN(Cc2c(O)cc(F)cc2F)C[C@H]1C ZINC001140585134 816294929 /nfs/dbraw/zinc/29/49/29/816294929.db2.gz ULFSASBTBUPPEO-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO CC[N@H+]1CCN(Cc2c(O)cc(F)cc2F)C[C@H]1C ZINC001140585134 816294932 /nfs/dbraw/zinc/29/49/32/816294932.db2.gz ULFSASBTBUPPEO-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO CCCOC1C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141143445 816485087 /nfs/dbraw/zinc/48/50/87/816485087.db2.gz YZQLVAXIIHWAIE-UHFFFAOYSA-N 1 2 276.380 2.126 20 10 CECDLO O=C1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CN1C1CC1 ZINC001177972198 816646712 /nfs/dbraw/zinc/64/67/12/816646712.db2.gz FFHJYWWNEVXRAX-SNVBAGLBSA-N 1 2 298.745 2.038 20 10 CECDLO C[N@H+](Cc1cncnc1)Cc1cc(F)c(F)cc1O ZINC001142530174 816680317 /nfs/dbraw/zinc/68/03/17/816680317.db2.gz ABAGYQADFDPVHO-UHFFFAOYSA-N 1 2 265.263 2.092 20 10 CECDLO C[N@@H+](Cc1cncnc1)Cc1cc(F)c(F)cc1O ZINC001142530174 816680321 /nfs/dbraw/zinc/68/03/21/816680321.db2.gz ABAGYQADFDPVHO-UHFFFAOYSA-N 1 2 265.263 2.092 20 10 CECDLO COCCOCCC[NH2+]Cc1cccc(Cl)c1O ZINC000124675453 365656649 /nfs/dbraw/zinc/65/66/49/365656649.db2.gz FJFCVMMFHKZKIA-UHFFFAOYSA-N 1 2 273.760 2.188 20 10 CECDLO CC(C)[N@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000133008152 366187263 /nfs/dbraw/zinc/18/72/63/366187263.db2.gz GOZBUEJOLKXWGI-UHFFFAOYSA-N 1 2 291.178 2.395 20 10 CECDLO CC(C)[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000133008152 366187266 /nfs/dbraw/zinc/18/72/66/366187266.db2.gz GOZBUEJOLKXWGI-UHFFFAOYSA-N 1 2 291.178 2.395 20 10 CECDLO C[C@H]([NH2+]CCSCCCO)c1ccc(F)c(F)c1O ZINC000187703863 299300153 /nfs/dbraw/zinc/30/01/53/299300153.db2.gz ILGSJOKZFVAVGL-VIFPVBQESA-N 1 2 291.363 2.437 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000156075026 366826897 /nfs/dbraw/zinc/82/68/97/366826897.db2.gz QCMPRORBXMTPCZ-ZFWWWQNUSA-N 1 2 260.381 2.369 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000156075026 366826902 /nfs/dbraw/zinc/82/69/02/366826902.db2.gz QCMPRORBXMTPCZ-ZFWWWQNUSA-N 1 2 260.381 2.369 20 10 CECDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179885334 368356061 /nfs/dbraw/zinc/35/60/61/368356061.db2.gz WMKAAZUWIJEKTB-ZDUSSCGKSA-N 1 2 281.327 2.449 20 10 CECDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000179885334 368356067 /nfs/dbraw/zinc/35/60/67/368356067.db2.gz WMKAAZUWIJEKTB-ZDUSSCGKSA-N 1 2 281.327 2.449 20 10 CECDLO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187707387 369206993 /nfs/dbraw/zinc/20/69/93/369206993.db2.gz BSOQFDXMXDRJKB-SDBXPKJASA-N 1 2 259.296 2.482 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc(F)c(F)c1O ZINC000281497439 296143070 /nfs/dbraw/zinc/14/30/70/296143070.db2.gz GOQKINUQSVALRK-ZJUUUORDSA-N 1 2 298.333 2.332 20 10 CECDLO C[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)OC1CCCC1 ZINC000192006422 369762526 /nfs/dbraw/zinc/76/25/26/369762526.db2.gz FDAUUVLTWOIJBT-JTQLQIEISA-N 1 2 281.327 2.495 20 10 CECDLO CCN(Cc1c[nH+]cn1C)c1ccc(OC)c(OC)c1 ZINC000267595299 372075551 /nfs/dbraw/zinc/07/55/51/372075551.db2.gz KEYDFYJEHLSSAZ-UHFFFAOYSA-N 1 2 275.352 2.464 20 10 CECDLO COc1ccc(N(C)Cc2c[nH+]cn2C)c(OC)c1 ZINC000269794846 372566332 /nfs/dbraw/zinc/56/63/32/372566332.db2.gz HAYAUNXGWSEJCH-UHFFFAOYSA-N 1 2 261.325 2.074 20 10 CECDLO COC(=O)COc1ccc([N@H+](C)CCCCCCO)cc1 ZINC000273082382 373745896 /nfs/dbraw/zinc/74/58/96/373745896.db2.gz LIGWAKZNPCFROC-UHFFFAOYSA-N 1 2 295.379 2.227 20 10 CECDLO COC(=O)COc1ccc([N@@H+](C)CCCCCCO)cc1 ZINC000273082382 373745899 /nfs/dbraw/zinc/74/58/99/373745899.db2.gz LIGWAKZNPCFROC-UHFFFAOYSA-N 1 2 295.379 2.227 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@]1=O ZINC000277647687 374592209 /nfs/dbraw/zinc/59/22/09/374592209.db2.gz OBSLSVISSMSDIC-MPBGBICISA-N 1 2 298.427 2.235 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@]1=O ZINC000277647687 374592218 /nfs/dbraw/zinc/59/22/18/374592218.db2.gz OBSLSVISSMSDIC-MPBGBICISA-N 1 2 298.427 2.235 20 10 CECDLO COc1ccc(O)c([C@H](C)[N@@H+]2CCn3cc(C)nc3C2)c1 ZINC000375253659 374648418 /nfs/dbraw/zinc/64/84/18/374648418.db2.gz UUMYYFUKSSVAJP-LBPRGKRZSA-N 1 2 287.363 2.483 20 10 CECDLO COc1ccc(O)c([C@H](C)[N@H+]2CCn3cc(C)nc3C2)c1 ZINC000375253659 374648424 /nfs/dbraw/zinc/64/84/24/374648424.db2.gz UUMYYFUKSSVAJP-LBPRGKRZSA-N 1 2 287.363 2.483 20 10 CECDLO COCC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000282257514 375442429 /nfs/dbraw/zinc/44/24/29/375442429.db2.gz OXSWJCOYTKQRPB-SNVBAGLBSA-N 1 2 294.178 2.186 20 10 CECDLO C[N@H+](CCC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000289236753 376389311 /nfs/dbraw/zinc/38/93/11/376389311.db2.gz DJBCRMHBPNHQFE-UHFFFAOYSA-N 1 2 277.151 2.006 20 10 CECDLO C[N@@H+](CCC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000289236753 376389317 /nfs/dbraw/zinc/38/93/17/376389317.db2.gz DJBCRMHBPNHQFE-UHFFFAOYSA-N 1 2 277.151 2.006 20 10 CECDLO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N(C)C ZINC000293671715 377689804 /nfs/dbraw/zinc/68/98/04/377689804.db2.gz QRDMSWBCMREPLC-MRVPVSSYSA-N 1 2 260.740 2.224 20 10 CECDLO Oc1cccc(Cl)c1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294807166 378021548 /nfs/dbraw/zinc/02/15/48/378021548.db2.gz NLYDJNALDVZHPN-UHFFFAOYSA-N 1 2 278.743 2.331 20 10 CECDLO CCN1CCC[N@H+](Cc2c(O)cccc2Cl)CC1=O ZINC000276269842 285224404 /nfs/dbraw/zinc/22/44/04/285224404.db2.gz XSPXUHUGBDBHNL-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO CCN1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1=O ZINC000276269842 285224405 /nfs/dbraw/zinc/22/44/05/285224405.db2.gz XSPXUHUGBDBHNL-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO O=C1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)CCN1 ZINC000093101703 394664589 /nfs/dbraw/zinc/66/45/89/394664589.db2.gz FXCUQNJCAZKMSM-UHFFFAOYSA-N 1 2 289.162 2.021 20 10 CECDLO O=C1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)CCN1 ZINC000093101703 394664594 /nfs/dbraw/zinc/66/45/94/394664594.db2.gz FXCUQNJCAZKMSM-UHFFFAOYSA-N 1 2 289.162 2.021 20 10 CECDLO Oc1c(F)cccc1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000376168495 395111270 /nfs/dbraw/zinc/11/12/70/395111270.db2.gz WXNLFINQOAWTRS-UHFFFAOYSA-N 1 2 276.315 2.029 20 10 CECDLO CC[C@@H]([NH2+][C@@H](C)C(=O)NC)c1cccc(Cl)c1O ZINC000292006727 395181710 /nfs/dbraw/zinc/18/17/10/395181710.db2.gz YHESKARELRDLTC-GZMMTYOYSA-N 1 2 270.760 2.221 20 10 CECDLO Oc1ccccc1C[N@@H+](Cc1cnc[nH]1)C[C@H]1CCCO1 ZINC000179570339 395196688 /nfs/dbraw/zinc/19/66/88/395196688.db2.gz WTVXHOAUWAKRDR-OAHLLOKOSA-N 1 2 287.363 2.297 20 10 CECDLO Oc1ccccc1C[N@H+](Cc1cnc[nH]1)C[C@H]1CCCO1 ZINC000179570339 395196690 /nfs/dbraw/zinc/19/66/90/395196690.db2.gz WTVXHOAUWAKRDR-OAHLLOKOSA-N 1 2 287.363 2.297 20 10 CECDLO CCc1nnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)s1 ZINC000289885495 263112880 /nfs/dbraw/zinc/11/28/80/263112880.db2.gz SHMWCBKVJJXZMQ-UHFFFAOYSA-N 1 2 294.336 2.004 20 10 CECDLO CC[C@H]([NH2+]CCOCCO)c1cccc(Cl)c1O ZINC000286835618 288042248 /nfs/dbraw/zinc/04/22/48/288042248.db2.gz DOSHRXCENRCLAR-LBPRGKRZSA-N 1 2 273.760 2.095 20 10 CECDLO CC[C@H]([NH2+]CC[C@@H](O)COC)c1cccc(Cl)c1O ZINC000287728630 288042594 /nfs/dbraw/zinc/04/25/94/288042594.db2.gz PATZKGNLEADJAE-MFKMUULPSA-N 1 2 287.787 2.484 20 10 CECDLO COC(=O)COc1ccc([N@H+](C)C[C@H]2CCSC2)cc1 ZINC000278806339 523224638 /nfs/dbraw/zinc/22/46/38/523224638.db2.gz WWFHQVPSSWAOOO-GFCCVEGCSA-N 1 2 295.404 2.428 20 10 CECDLO COC(=O)COc1ccc([N@@H+](C)C[C@H]2CCSC2)cc1 ZINC000278806339 523224646 /nfs/dbraw/zinc/22/46/46/523224646.db2.gz WWFHQVPSSWAOOO-GFCCVEGCSA-N 1 2 295.404 2.428 20 10 CECDLO Cc1ccc2[nH+]c(CNC(=O)C3=CC(=O)CS3)cn2c1 ZINC000732276134 574617188 /nfs/dbraw/zinc/61/71/88/574617188.db2.gz SKOVDIFYVBRLDC-UHFFFAOYSA-N 1 2 287.344 2.340 20 10 CECDLO Oc1ccc2ccncc2c1CN1CC[NH+](C2CC2)CC1 ZINC000749675736 575229201 /nfs/dbraw/zinc/22/92/01/575229201.db2.gz JGTXFSDXQIUFKZ-UHFFFAOYSA-N 1 2 283.375 2.220 20 10 CECDLO CNc1cc(NCc2ccc(N(C)C)c(F)c2)nc[nH+]1 ZINC000892131490 624340429 /nfs/dbraw/zinc/34/04/29/624340429.db2.gz JWHQIHOIYANIBL-UHFFFAOYSA-N 1 2 275.331 2.336 20 10 CECDLO CNc1cc(NCc2ccc(N(C)C)c(F)c2)[nH+]cn1 ZINC000892131490 624340430 /nfs/dbraw/zinc/34/04/30/624340430.db2.gz JWHQIHOIYANIBL-UHFFFAOYSA-N 1 2 275.331 2.336 20 10 CECDLO CN(C)C(=[NH2+])NCc1cc(Cl)cc(Cl)c1O ZINC000849028253 624670839 /nfs/dbraw/zinc/67/08/39/624670839.db2.gz FUOUCSCEYCTGSW-UHFFFAOYSA-N 1 2 262.140 2.285 20 10 CECDLO CCCN(Cc1ccccc1O)C(=O)CCc1c[nH]c[nH+]1 ZINC000189312498 625110539 /nfs/dbraw/zinc/11/05/39/625110539.db2.gz XQZLLUWKTXLNAR-UHFFFAOYSA-N 1 2 287.363 2.487 20 10 CECDLO CCCN(Cc1ccccc1O)C(=O)CCc1c[nH+]c[nH]1 ZINC000189312498 625110542 /nfs/dbraw/zinc/11/05/42/625110542.db2.gz XQZLLUWKTXLNAR-UHFFFAOYSA-N 1 2 287.363 2.487 20 10 CECDLO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(F)c3[O-])CC[C@H]21 ZINC000895459943 630201877 /nfs/dbraw/zinc/20/18/77/630201877.db2.gz CJIRFZQWCJGXKR-QMTHXVAHSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(F)c3[O-])CC[C@H]21 ZINC000895459943 630201884 /nfs/dbraw/zinc/20/18/84/630201884.db2.gz CJIRFZQWCJGXKR-QMTHXVAHSA-N 1 2 282.334 2.196 20 10 CECDLO C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3[O-])CC[C@H]21 ZINC000895459943 630201890 /nfs/dbraw/zinc/20/18/90/630201890.db2.gz CJIRFZQWCJGXKR-QMTHXVAHSA-N 1 2 282.334 2.196 20 10 CECDLO C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3[O-])CC[C@H]21 ZINC000895459943 630201892 /nfs/dbraw/zinc/20/18/92/630201892.db2.gz CJIRFZQWCJGXKR-QMTHXVAHSA-N 1 2 282.334 2.196 20 10 CECDLO Oc1cc2c(cc1C[NH+]1CC(OC(F)F)C1)CCC2 ZINC000797821019 630761904 /nfs/dbraw/zinc/76/19/04/630761904.db2.gz ANPGLYWMWZTKAE-UHFFFAOYSA-N 1 2 269.291 2.304 20 10 CECDLO C[C@@H](NCC[NH2+]C1CC1)c1cc(F)cc(F)c1O ZINC000817952369 633797415 /nfs/dbraw/zinc/79/74/15/633797415.db2.gz FAOPWBVSJSNCMZ-MRVPVSSYSA-N 1 2 256.296 2.073 20 10 CECDLO CC(=O)c1cc(F)cc(CN[C@@H]2CCCC[C@H]2[NH3+])c1O ZINC000818340174 633911737 /nfs/dbraw/zinc/91/17/37/633911737.db2.gz JIRDPMPRAYZIRP-ZIAGYGMSSA-N 1 2 280.343 2.093 20 10 CECDLO C[C@@H]([NH2+]C[C@H]1CCN1C)c1cc(F)cc(F)c1O ZINC000903319428 635053626 /nfs/dbraw/zinc/05/36/26/635053626.db2.gz ZFEUBZNZJCAFFE-PSASIEDQSA-N 1 2 256.296 2.025 20 10 CECDLO COc1nn(C)cc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000903339267 635068601 /nfs/dbraw/zinc/06/86/01/635068601.db2.gz XNGIMMRHZPHXSX-QMMMGPOBSA-N 1 2 297.305 2.263 20 10 CECDLO CN1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000224570389 639454773 /nfs/dbraw/zinc/45/47/73/639454773.db2.gz MJWVCCBGHYJFBQ-LLVKDONJSA-N 1 2 254.761 2.229 20 10 CECDLO CCn1ncnc1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840941319 639594067 /nfs/dbraw/zinc/59/40/67/639594067.db2.gz UNLXUBDDPTWHCH-UHFFFAOYSA-N 1 2 280.759 2.255 20 10 CECDLO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000840939291 639594146 /nfs/dbraw/zinc/59/41/46/639594146.db2.gz MPAFADJQXQXURI-LBPRGKRZSA-N 1 2 273.384 2.040 20 10 CECDLO Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000841027503 639620029 /nfs/dbraw/zinc/62/00/29/639620029.db2.gz CLNRNMTYPFUAIN-LBPRGKRZSA-N 1 2 299.212 2.290 20 10 CECDLO CN(Cc1ccccc1O)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845792010 641092213 /nfs/dbraw/zinc/09/22/13/641092213.db2.gz PJCKYLVIFZLOJU-UHFFFAOYSA-N 1 2 299.374 2.126 20 10 CECDLO COc1cccc([C@H](C)[NH2+]Cc2cn[nH]c2C)c1O ZINC000846154785 641205895 /nfs/dbraw/zinc/20/58/95/641205895.db2.gz MZVSWLHJCXSQEP-JTQLQIEISA-N 1 2 261.325 2.283 20 10 CECDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnsn2)c1 ZINC000846844001 641449898 /nfs/dbraw/zinc/44/98/98/641449898.db2.gz JWWVRVDKZPLIAF-QMMMGPOBSA-N 1 2 265.338 2.103 20 10 CECDLO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877322418 650675559 /nfs/dbraw/zinc/67/55/59/650675559.db2.gz GJBNAHWVUFUXQS-LLVKDONJSA-N 1 2 271.307 2.406 20 10 CECDLO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877322418 650675562 /nfs/dbraw/zinc/67/55/62/650675562.db2.gz GJBNAHWVUFUXQS-LLVKDONJSA-N 1 2 271.307 2.406 20 10 CECDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ncnn21 ZINC000850351939 642677651 /nfs/dbraw/zinc/67/76/51/642677651.db2.gz KBILEQHKKGGHNQ-ZWNOBZJWSA-N 1 2 289.358 2.279 20 10 CECDLO COCc1n[nH]c(C[NH2+][C@H](C)c2cc(Cl)ccc2O)n1 ZINC000850514630 642737351 /nfs/dbraw/zinc/73/73/51/642737351.db2.gz ODRYNRSYVQZLNW-MRVPVSSYSA-N 1 2 296.758 2.161 20 10 CECDLO CC(C)[N@H+](Cc1ccc(F)c(F)c1O)C1COC1 ZINC000877557842 650787970 /nfs/dbraw/zinc/78/79/70/650787970.db2.gz QRLRERUZVGDNCY-UHFFFAOYSA-N 1 2 257.280 2.280 20 10 CECDLO CC(C)[N@@H+](Cc1ccc(F)c(F)c1O)C1COC1 ZINC000877557842 650787971 /nfs/dbraw/zinc/78/79/71/650787971.db2.gz QRLRERUZVGDNCY-UHFFFAOYSA-N 1 2 257.280 2.280 20 10 CECDLO CCOc1cccc(C[NH+]2CC(OCC(F)F)C2)c1O ZINC000839138175 644171000 /nfs/dbraw/zinc/17/10/00/644171000.db2.gz MRUXTCHEKIZDRU-UHFFFAOYSA-N 1 2 287.306 2.257 20 10 CECDLO COc1c(O)c(C[NH+]2CC(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000839140602 644172299 /nfs/dbraw/zinc/17/22/99/644172299.db2.gz HNKGLRNLBRIUFZ-UHFFFAOYSA-N 1 2 288.250 2.006 20 10 CECDLO COc1cc(C)cc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1O ZINC000754731399 644422362 /nfs/dbraw/zinc/42/23/62/644422362.db2.gz ALTBIIKUQAPYJQ-HTGLOVNISA-N 1 2 297.420 2.051 20 10 CECDLO COc1cc(C)cc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1O ZINC000754731399 644422365 /nfs/dbraw/zinc/42/23/65/644422365.db2.gz ALTBIIKUQAPYJQ-HTGLOVNISA-N 1 2 297.420 2.051 20 10 CECDLO C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000756461840 644651606 /nfs/dbraw/zinc/65/16/06/644651606.db2.gz WGJDNMUFGHIZAG-RKDXNWHRSA-N 1 2 257.280 2.358 20 10 CECDLO CC[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756602977 644673643 /nfs/dbraw/zinc/67/36/43/644673643.db2.gz HGZZFQYIVPEISX-WPRPVWTQSA-N 1 2 259.296 2.482 20 10 CECDLO C[C@@H]([NH2+]C[C@@H](C)CCO)c1cc(F)cc(F)c1O ZINC000756617648 644675010 /nfs/dbraw/zinc/67/50/10/644675010.db2.gz JRUHXBIIIRDWKG-DTWKUNHWSA-N 1 2 259.296 2.340 20 10 CECDLO C[C@H](CCCO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756648728 644679117 /nfs/dbraw/zinc/67/91/17/644679117.db2.gz YZVBRNKYNGMEKS-RKDXNWHRSA-N 1 2 259.296 2.482 20 10 CECDLO COc1ccc([N@H+](CC(C)C)CC2(CO)COC2)cc1 ZINC000756823028 644696652 /nfs/dbraw/zinc/69/66/52/644696652.db2.gz HBJGYRDLBVEXFX-UHFFFAOYSA-N 1 2 279.380 2.167 20 10 CECDLO COc1ccc([N@@H+](CC(C)C)CC2(CO)COC2)cc1 ZINC000756823028 644696653 /nfs/dbraw/zinc/69/66/53/644696653.db2.gz HBJGYRDLBVEXFX-UHFFFAOYSA-N 1 2 279.380 2.167 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000857875947 644993363 /nfs/dbraw/zinc/99/33/63/644993363.db2.gz IKTDFZPCJFACLK-UHFFFAOYSA-N 1 2 263.728 2.327 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCc2n[nH]cc2C1 ZINC000857875947 644993368 /nfs/dbraw/zinc/99/33/68/644993368.db2.gz IKTDFZPCJFACLK-UHFFFAOYSA-N 1 2 263.728 2.327 20 10 CECDLO C[C@H]([NH2+]CCC1CC(O)C1)c1cc(F)cc(F)c1O ZINC000762650315 645433731 /nfs/dbraw/zinc/43/37/31/645433731.db2.gz QFCNITDJOJDRMY-SILCLGDVSA-N 1 2 271.307 2.482 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+]2CCc3c[nH]nc3C2)c1 ZINC000769469131 646273668 /nfs/dbraw/zinc/27/36/68/646273668.db2.gz TYNKJYZRNYSHNL-UHFFFAOYSA-N 1 2 273.336 2.072 20 10 CECDLO CCOc1ccc(O)c(C[N@H+]2CCc3c[nH]nc3C2)c1 ZINC000769469131 646273671 /nfs/dbraw/zinc/27/36/71/646273671.db2.gz TYNKJYZRNYSHNL-UHFFFAOYSA-N 1 2 273.336 2.072 20 10 CECDLO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)cc(F)c1O ZINC000863547656 646754013 /nfs/dbraw/zinc/75/40/13/646754013.db2.gz RGXLXGCSXXABFV-KKZNHRDASA-N 1 2 270.323 2.462 20 10 CECDLO CCN(C)c1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000773756762 646773566 /nfs/dbraw/zinc/77/35/66/646773566.db2.gz ZLIJHKILJRYDPR-YRVVQQKDSA-N 1 2 294.464 2.484 20 10 CECDLO CCN(C)c1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1 ZINC000773756762 646773570 /nfs/dbraw/zinc/77/35/70/646773570.db2.gz ZLIJHKILJRYDPR-YRVVQQKDSA-N 1 2 294.464 2.484 20 10 CECDLO C[C@]1(O)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775734150 646985937 /nfs/dbraw/zinc/98/59/37/646985937.db2.gz LUHDCBKXQDPUJB-LBPRGKRZSA-N 1 2 259.708 2.141 20 10 CECDLO COC(=O)[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1C ZINC000775723453 646985054 /nfs/dbraw/zinc/98/50/54/646985054.db2.gz HJEXRYYCTDKAES-ONGXEEELSA-N 1 2 283.755 2.287 20 10 CECDLO COC(=O)[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1C ZINC000775723453 646985057 /nfs/dbraw/zinc/98/50/57/646985057.db2.gz HJEXRYYCTDKAES-ONGXEEELSA-N 1 2 283.755 2.287 20 10 CECDLO C[C@]1(O)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775734150 646985933 /nfs/dbraw/zinc/98/59/33/646985933.db2.gz LUHDCBKXQDPUJB-LBPRGKRZSA-N 1 2 259.708 2.141 20 10 CECDLO COCC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776175442 647032537 /nfs/dbraw/zinc/03/25/37/647032537.db2.gz LNQYLXQTXYGAEV-ZDUSSCGKSA-N 1 2 291.750 2.062 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)[C@@H]1CO ZINC000785984684 647975523 /nfs/dbraw/zinc/97/55/23/647975523.db2.gz RGYPHHHNCDBFSM-PRHODGIISA-N 1 2 273.735 2.387 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)[C@@H]1CO ZINC000785984684 647975528 /nfs/dbraw/zinc/97/55/28/647975528.db2.gz RGYPHHHNCDBFSM-PRHODGIISA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)[C@H]1CO ZINC000785984686 647975720 /nfs/dbraw/zinc/97/57/20/647975720.db2.gz RGYPHHHNCDBFSM-UFBFGSQYSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)[C@H]1CO ZINC000785984686 647975721 /nfs/dbraw/zinc/97/57/21/647975721.db2.gz RGYPHHHNCDBFSM-UFBFGSQYSA-N 1 2 273.735 2.387 20 10 CECDLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000789594204 648321003 /nfs/dbraw/zinc/32/10/03/648321003.db2.gz ZLCOLGUXZGVLBI-MRVPVSSYSA-N 1 2 288.750 2.141 20 10 CECDLO COCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715711581 814987323 /nfs/dbraw/zinc/98/73/23/814987323.db2.gz GITGANZKRUAUPH-UHFFFAOYSA-N 1 2 278.121 2.030 20 10 CECDLO COC(=O)[C@@H]([NH2+]Cc1cc(C)ccc1O)C(C)(C)C ZINC000136869251 804452700 /nfs/dbraw/zinc/45/27/00/804452700.db2.gz OMJZDVKCVHIIKD-CYBMUJFWSA-N 1 2 265.353 2.378 20 10 CECDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)cccc1F ZINC001137831494 815690803 /nfs/dbraw/zinc/69/08/03/815690803.db2.gz BSKAWFCZDUSMCM-UHFFFAOYSA-N 1 2 298.358 2.488 20 10 CECDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)cccc1F ZINC001137831494 815690807 /nfs/dbraw/zinc/69/08/07/815690807.db2.gz BSKAWFCZDUSMCM-UHFFFAOYSA-N 1 2 298.358 2.488 20 10 CECDLO Cc1cc(C[N@H+]2CC(=O)NC[C@H]2C)c(C)n1-c1ccccc1 ZINC001137859064 815698274 /nfs/dbraw/zinc/69/82/74/815698274.db2.gz HGZYRPGFKCTSNI-CQSZACIVSA-N 1 2 297.402 2.414 20 10 CECDLO Cc1cc(C[N@@H+]2CC(=O)NC[C@H]2C)c(C)n1-c1ccccc1 ZINC001137859064 815698279 /nfs/dbraw/zinc/69/82/79/815698279.db2.gz HGZYRPGFKCTSNI-CQSZACIVSA-N 1 2 297.402 2.414 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCc2cnccc2C1 ZINC001138122462 815730597 /nfs/dbraw/zinc/73/05/97/815730597.db2.gz GVPSXYFACKISLB-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO CCN1C[C@@H](C)[N@H+](Cc2ccc(N(C)C)c(C)c2)CC1=O ZINC001139674047 816077860 /nfs/dbraw/zinc/07/78/60/816077860.db2.gz PALVNNWAWZHOOU-CQSZACIVSA-N 1 2 289.423 2.114 20 10 CECDLO CCN1C[C@@H](C)[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1=O ZINC001139674047 816077869 /nfs/dbraw/zinc/07/78/69/816077869.db2.gz PALVNNWAWZHOOU-CQSZACIVSA-N 1 2 289.423 2.114 20 10 CECDLO Cc1ccc(C)c(C[N@@H+]2Cc3cnn(C)c3C2)c1O ZINC001140181441 816206190 /nfs/dbraw/zinc/20/61/90/816206190.db2.gz BNQDKXMPLLFMHX-UHFFFAOYSA-N 1 2 257.337 2.258 20 10 CECDLO Cc1ccc(C)c(C[N@H+]2Cc3cnn(C)c3C2)c1O ZINC001140181441 816206199 /nfs/dbraw/zinc/20/61/99/816206199.db2.gz BNQDKXMPLLFMHX-UHFFFAOYSA-N 1 2 257.337 2.258 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001140342520 816238031 /nfs/dbraw/zinc/23/80/31/816238031.db2.gz MZBDXUDZTMOJLP-NXEZZACHSA-N 1 2 253.729 2.409 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001140342520 816238038 /nfs/dbraw/zinc/23/80/38/816238038.db2.gz MZBDXUDZTMOJLP-NXEZZACHSA-N 1 2 253.729 2.409 20 10 CECDLO Cn1cc2c(n1)CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465652 816262825 /nfs/dbraw/zinc/26/28/25/816262825.db2.gz PUUFZMRDURCYFI-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Cn1cc2c(n1)CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465652 816262833 /nfs/dbraw/zinc/26/28/33/816262833.db2.gz PUUFZMRDURCYFI-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO C[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CCC[C@H]1O ZINC001140582812 816290836 /nfs/dbraw/zinc/29/08/36/816290836.db2.gz NFJXKMWRVIESNT-TVQRCGJNSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CCC[C@H]1O ZINC001140582812 816290842 /nfs/dbraw/zinc/29/08/42/816290842.db2.gz NFJXKMWRVIESNT-TVQRCGJNSA-N 1 2 271.307 2.263 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCCC[C@@H](O)C1 ZINC001140582785 816291408 /nfs/dbraw/zinc/29/14/08/816291408.db2.gz MXNQRXGIAAMEJF-SNVBAGLBSA-N 1 2 257.280 2.017 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001140582785 816291412 /nfs/dbraw/zinc/29/14/12/816291412.db2.gz MXNQRXGIAAMEJF-SNVBAGLBSA-N 1 2 257.280 2.017 20 10 CECDLO Oc1cc(F)cc(F)c1C[NH+]1CCC(n2cnnc2)CC1 ZINC001140584303 816293847 /nfs/dbraw/zinc/29/38/47/816293847.db2.gz MGXMPNYHKLYMKA-UHFFFAOYSA-N 1 2 294.305 2.099 20 10 CECDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141159959 816492472 /nfs/dbraw/zinc/49/24/72/816492472.db2.gz NILADMYMNQOMLR-CYBMUJFWSA-N 1 2 279.336 2.015 20 10 CECDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1O ZINC001141159959 816492473 /nfs/dbraw/zinc/49/24/73/816492473.db2.gz NILADMYMNQOMLR-CYBMUJFWSA-N 1 2 279.336 2.015 20 10 CECDLO Oc1cc(F)c(F)cc1C[NH+]1CC2(CSC2)C1 ZINC001142531404 816680759 /nfs/dbraw/zinc/68/07/59/816680759.db2.gz WNFDIZZOJKVUBL-UHFFFAOYSA-N 1 2 257.305 2.219 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3cc(C)on3)CC2)cc1 ZINC000060993042 343665151 /nfs/dbraw/zinc/66/51/51/343665151.db2.gz AZHNFTWATCHHMZ-UHFFFAOYSA-N 1 2 287.363 2.314 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCOCC2)c1O ZINC000061919907 362699504 /nfs/dbraw/zinc/69/95/04/362699504.db2.gz AMNDITUPHSAPSR-UHFFFAOYSA-N 1 2 283.755 2.471 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCOCC2)c1O ZINC000061919907 362699508 /nfs/dbraw/zinc/69/95/08/362699508.db2.gz AMNDITUPHSAPSR-UHFFFAOYSA-N 1 2 283.755 2.471 20 10 CECDLO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000019881622 361564020 /nfs/dbraw/zinc/56/40/20/361564020.db2.gz RUZJIPYYLNJFGP-UHFFFAOYSA-N 1 2 250.125 2.435 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC000092675996 364096087 /nfs/dbraw/zinc/09/60/87/364096087.db2.gz XQPZFCRITQUONV-QGZVFWFLSA-N 1 2 296.370 2.374 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC000092675996 364096093 /nfs/dbraw/zinc/09/60/93/364096093.db2.gz XQPZFCRITQUONV-QGZVFWFLSA-N 1 2 296.370 2.374 20 10 CECDLO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2O)C1 ZINC000187761307 369217849 /nfs/dbraw/zinc/21/78/49/369217849.db2.gz HXFPLFGTRYUNIV-NXEZZACHSA-N 1 2 298.333 2.332 20 10 CECDLO CCOC(=O)[C@H]([NH2+]Cc1ccccc1O)[C@@H](C)CC ZINC000187863514 369239097 /nfs/dbraw/zinc/23/90/97/369239097.db2.gz DEDJBZWAOAFMOE-SMDDNHRTSA-N 1 2 265.353 2.460 20 10 CECDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271200518 373177276 /nfs/dbraw/zinc/17/72/76/373177276.db2.gz PSPXTASXTPLJFS-HTGLOVNISA-N 1 2 298.427 2.233 20 10 CECDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271200518 373177283 /nfs/dbraw/zinc/17/72/83/373177283.db2.gz PSPXTASXTPLJFS-HTGLOVNISA-N 1 2 298.427 2.233 20 10 CECDLO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@](=O)C1 ZINC000277434140 374517872 /nfs/dbraw/zinc/51/78/72/374517872.db2.gz JRAZDKYESPOOOZ-YUNKPMOVSA-N 1 2 298.427 2.092 20 10 CECDLO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@](=O)C1 ZINC000277434140 374517879 /nfs/dbraw/zinc/51/78/79/374517879.db2.gz JRAZDKYESPOOOZ-YUNKPMOVSA-N 1 2 298.427 2.092 20 10 CECDLO CC[N@H+](C[C@@H]1CCCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000284264219 375825422 /nfs/dbraw/zinc/82/54/22/375825422.db2.gz XDGBUZJPLCMFOT-ZDUSSCGKSA-N 1 2 297.420 2.346 20 10 CECDLO CC[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000284264219 375825425 /nfs/dbraw/zinc/82/54/25/375825425.db2.gz XDGBUZJPLCMFOT-ZDUSSCGKSA-N 1 2 297.420 2.346 20 10 CECDLO CC(C)NC(=O)OC1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000297281846 378679392 /nfs/dbraw/zinc/67/93/92/378679392.db2.gz AACUOZASTHHDTR-UHFFFAOYSA-N 1 2 291.395 2.071 20 10 CECDLO CCOC1C[NH+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000297355617 378682072 /nfs/dbraw/zinc/68/20/72/378682072.db2.gz GIKAZXFJZLJLGJ-UHFFFAOYSA-N 1 2 252.333 2.112 20 10 CECDLO CCn1nncc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000529638615 380181327 /nfs/dbraw/zinc/18/13/27/380181327.db2.gz MGHRGBCLYLGZAU-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO CC[C@@H]([NH2+]C[C@H]1COCCN1)c1cccc(Cl)c1O ZINC000530227848 380198371 /nfs/dbraw/zinc/19/83/71/380198371.db2.gz WIABLARZVLYOSI-GXFFZTMASA-N 1 2 284.787 2.075 20 10 CECDLO CN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2cc(F)ccc21 ZINC000492808601 380695561 /nfs/dbraw/zinc/69/55/61/380695561.db2.gz DGGAQZLTOZXDCZ-HWKANZROSA-N 1 2 286.310 2.045 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3ccon3)CC2)cc1F ZINC000122100022 394809549 /nfs/dbraw/zinc/80/95/49/394809549.db2.gz VESKLNHMJPWCNC-UHFFFAOYSA-N 1 2 291.326 2.145 20 10 CECDLO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)c1 ZINC000275726737 326944267 /nfs/dbraw/zinc/94/42/67/326944267.db2.gz OLTQNXVOBFZMKX-WDEREUQCSA-N 1 2 260.341 2.241 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000124816412 329574184 /nfs/dbraw/zinc/57/41/84/329574184.db2.gz GYQQTCQGVWIHJC-VXGBXAGGSA-N 1 2 255.745 2.439 20 10 CECDLO CCOCc1nc([C@H](C)[NH2+]Cc2cc(F)ccc2O)no1 ZINC000290966845 520219167 /nfs/dbraw/zinc/21/91/67/520219167.db2.gz RZSYVXCIMVNVGN-VIFPVBQESA-N 1 2 295.314 2.302 20 10 CECDLO CN(C)c1ccc(NCc2cc3c(cc2O)OCO3)c[nH+]1 ZINC000042879898 522236591 /nfs/dbraw/zinc/23/65/91/522236591.db2.gz PCCUYCKRODQPFP-UHFFFAOYSA-N 1 2 287.319 2.194 20 10 CECDLO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187762157 522805199 /nfs/dbraw/zinc/80/51/99/522805199.db2.gz BDOQAQKOLXGGRJ-IUCAKERBSA-N 1 2 259.296 2.482 20 10 CECDLO COC(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000276426026 523632255 /nfs/dbraw/zinc/63/22/55/523632255.db2.gz GWOQKKWIRHLDBV-LBPRGKRZSA-N 1 2 299.754 2.095 20 10 CECDLO CCn1ncnc1C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000365856319 523749928 /nfs/dbraw/zinc/74/99/28/523749928.db2.gz ZPTGSXPWPPFXTQ-UHFFFAOYSA-N 1 2 297.406 2.263 20 10 CECDLO CCn1ncnc1C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000365856319 523749934 /nfs/dbraw/zinc/74/99/34/523749934.db2.gz ZPTGSXPWPPFXTQ-UHFFFAOYSA-N 1 2 297.406 2.263 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(F)c(F)c1O ZINC000276896660 525625287 /nfs/dbraw/zinc/62/52/87/525625287.db2.gz INBQECQIBGRBQX-SFYZADRCSA-N 1 2 282.294 2.211 20 10 CECDLO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(F)c(F)c1O ZINC000276894757 525626034 /nfs/dbraw/zinc/62/60/34/525626034.db2.gz IGBWSPNDGRUOPH-LAEOZQHASA-N 1 2 257.280 2.498 20 10 CECDLO Cc1ccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)c(O)c1O ZINC000753014327 575317827 /nfs/dbraw/zinc/31/78/27/575317827.db2.gz CVDBSFPJIJJMAQ-UHFFFAOYSA-N 1 2 287.319 2.120 20 10 CECDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(F)c1O ZINC000894969981 629773259 /nfs/dbraw/zinc/77/32/59/629773259.db2.gz OQETZBVOJIECHU-PHIMTYICSA-N 1 2 267.275 2.366 20 10 CECDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(F)c1O ZINC000894969981 629773262 /nfs/dbraw/zinc/77/32/62/629773262.db2.gz OQETZBVOJIECHU-PHIMTYICSA-N 1 2 267.275 2.366 20 10 CECDLO Oc1ccccc1C[NH2+]Cc1nc(C(F)F)no1 ZINC000895727144 630317896 /nfs/dbraw/zinc/31/78/96/630317896.db2.gz PGCUIZPAQKDZNQ-UHFFFAOYSA-N 1 2 255.224 2.003 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCCn2nncc2C1 ZINC000895756138 630331697 /nfs/dbraw/zinc/33/16/97/630331697.db2.gz CQLQWUQLXJHETM-UHFFFAOYSA-N 1 2 278.743 2.043 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCCn2nncc2C1 ZINC000895756138 630331699 /nfs/dbraw/zinc/33/16/99/630331699.db2.gz CQLQWUQLXJHETM-UHFFFAOYSA-N 1 2 278.743 2.043 20 10 CECDLO C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(F)cc(F)c1O ZINC000806664393 631764004 /nfs/dbraw/zinc/76/40/04/631764004.db2.gz OXHYBIWWMRJMGV-SECBINFHSA-N 1 2 289.322 2.109 20 10 CECDLO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000898214570 632092192 /nfs/dbraw/zinc/09/21/92/632092192.db2.gz DTWPSHDNRBDMGH-INTQDDNPSA-N 1 2 283.755 2.333 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c(Cl)c1 ZINC000898187912 632101356 /nfs/dbraw/zinc/10/13/56/632101356.db2.gz JGYUBWLXTUJALV-NEPJUHHUSA-N 1 2 273.735 2.259 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CC[C@H](O)[C@H](F)C2)c(Cl)c1 ZINC000898187912 632101357 /nfs/dbraw/zinc/10/13/57/632101357.db2.gz JGYUBWLXTUJALV-NEPJUHHUSA-N 1 2 273.735 2.259 20 10 CECDLO CCOCc1cc(C[NH2+]Cc2nonc2C)ccc1OC ZINC000809744576 632138785 /nfs/dbraw/zinc/13/87/85/632138785.db2.gz RWXHLHDKYZWTHV-UHFFFAOYSA-N 1 2 291.351 2.213 20 10 CECDLO CCOC(=O)C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815031608 632950895 /nfs/dbraw/zinc/95/08/95/632950895.db2.gz YGCCNGUYXCULDB-UHFFFAOYSA-N 1 2 264.369 2.056 20 10 CECDLO CCOC(=O)C[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815031608 632950898 /nfs/dbraw/zinc/95/08/98/632950898.db2.gz YGCCNGUYXCULDB-UHFFFAOYSA-N 1 2 264.369 2.056 20 10 CECDLO C[C@H](C[NH2+]Cc1cccc(Br)c1O)N(C)C ZINC000042412575 633973912 /nfs/dbraw/zinc/97/39/12/633973912.db2.gz SHFJPBAUINXIAC-SECBINFHSA-N 1 2 287.201 2.194 20 10 CECDLO CCc1nc(C[NH2+]Cc2ccc3c(c2)CCO3)co1 ZINC000825050631 635550048 /nfs/dbraw/zinc/55/00/48/635550048.db2.gz OQLOQSACCKWSEE-UHFFFAOYSA-N 1 2 258.321 2.462 20 10 CECDLO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000827501107 636339182 /nfs/dbraw/zinc/33/91/82/636339182.db2.gz QOXJQFTULMZBLY-WKFQBHICSA-N 1 2 287.718 2.226 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@]1(C)CO ZINC000827699848 636397453 /nfs/dbraw/zinc/39/74/53/636397453.db2.gz MYSLQCFPNLNUAT-QMTHXVAHSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@]1(C)CO ZINC000827699848 636397456 /nfs/dbraw/zinc/39/74/56/636397456.db2.gz MYSLQCFPNLNUAT-QMTHXVAHSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ncn(C)n1 ZINC000835045724 638036331 /nfs/dbraw/zinc/03/63/31/638036331.db2.gz PFQFCOVFAXUCOB-GFUIURDCSA-N 1 2 285.395 2.245 20 10 CECDLO C[C@H](CC[NH2+]Cc1cccc(Cl)c1O)[S@](C)=O ZINC000165398710 639429582 /nfs/dbraw/zinc/42/95/82/639429582.db2.gz RCAGFZMYYCJWME-VVVCHXIZSA-N 1 2 275.801 2.292 20 10 CECDLO Cc1cc(O)c(C[NH2+]Cc2nnc3n2CCC3)c(Cl)c1 ZINC000840876568 639569250 /nfs/dbraw/zinc/56/92/50/639569250.db2.gz WSABIBYHXCXSMQ-UHFFFAOYSA-N 1 2 292.770 2.182 20 10 CECDLO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000228938868 639665321 /nfs/dbraw/zinc/66/53/21/639665321.db2.gz IXNAETFYOJTDNK-SECBINFHSA-N 1 2 270.760 2.048 20 10 CECDLO CCn1c[nH+]cc1CN1CCc2cc(OC)ccc21 ZINC000841831171 639876251 /nfs/dbraw/zinc/87/62/51/639876251.db2.gz RSLRUYQIAKGZPU-UHFFFAOYSA-N 1 2 257.337 2.474 20 10 CECDLO CN(C)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000841890100 639900629 /nfs/dbraw/zinc/90/06/29/639900629.db2.gz LBGYPDTVGIUQTD-UHFFFAOYSA-N 1 2 272.751 2.369 20 10 CECDLO CCc1cccc(C[N@H+](C)Cc2nnc3n2CCC3)c1O ZINC000848881422 642167981 /nfs/dbraw/zinc/16/79/81/642167981.db2.gz OYQLUDPBDJSHIL-UHFFFAOYSA-N 1 2 286.379 2.124 20 10 CECDLO CCc1cccc(C[N@@H+](C)Cc2nnc3n2CCC3)c1O ZINC000848881422 642167987 /nfs/dbraw/zinc/16/79/87/642167987.db2.gz OYQLUDPBDJSHIL-UHFFFAOYSA-N 1 2 286.379 2.124 20 10 CECDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)[C@H]1C ZINC000877465851 650732840 /nfs/dbraw/zinc/73/28/40/650732840.db2.gz BWDSSCRGXJQJRZ-WCBMZHEXSA-N 1 2 285.290 2.054 20 10 CECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)[C@H]1C ZINC000877465851 650732843 /nfs/dbraw/zinc/73/28/43/650732843.db2.gz BWDSSCRGXJQJRZ-WCBMZHEXSA-N 1 2 285.290 2.054 20 10 CECDLO Cc1cc(C[N@H+](C)Cc2cnc[nH]2)ccc1N(C)C ZINC000852287790 643380116 /nfs/dbraw/zinc/38/01/16/643380116.db2.gz GBXBVXZYHATGPR-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO Cc1cc(C[N@@H+](C)Cc2cnc[nH]2)ccc1N(C)C ZINC000852287790 643380120 /nfs/dbraw/zinc/38/01/20/643380120.db2.gz GBXBVXZYHATGPR-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO COc1ncc(C[N@@H+]2Cc3cccc(O)c3C2)s1 ZINC000877702802 650859379 /nfs/dbraw/zinc/85/93/79/650859379.db2.gz IBFDATANPYHELY-UHFFFAOYSA-N 1 2 262.334 2.373 20 10 CECDLO COc1ncc(C[N@H+]2Cc3cccc(O)c3C2)s1 ZINC000877702802 650859383 /nfs/dbraw/zinc/85/93/83/650859383.db2.gz IBFDATANPYHELY-UHFFFAOYSA-N 1 2 262.334 2.373 20 10 CECDLO COc1cncc(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC000877702998 650859496 /nfs/dbraw/zinc/85/94/96/650859496.db2.gz NUVYELDRAVPEOS-UHFFFAOYSA-N 1 2 256.305 2.312 20 10 CECDLO COc1cncc(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC000877702998 650859500 /nfs/dbraw/zinc/85/95/00/650859500.db2.gz NUVYELDRAVPEOS-UHFFFAOYSA-N 1 2 256.305 2.312 20 10 CECDLO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877751493 650894623 /nfs/dbraw/zinc/89/46/23/650894623.db2.gz BSQPLRFIOJOIRQ-SNVBAGLBSA-N 1 2 271.307 2.263 20 10 CECDLO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877751493 650894628 /nfs/dbraw/zinc/89/46/28/650894628.db2.gz BSQPLRFIOJOIRQ-SNVBAGLBSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@H]1CCN(C(=O)C2=CC(=O)CS2)C[C@H]1n1cc[nH+]c1 ZINC000759469549 645031167 /nfs/dbraw/zinc/03/11/67/645031167.db2.gz LQYUCGXBKDZYHD-CMPLNLGQSA-N 1 2 291.376 2.374 20 10 CECDLO C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C[C@H]1n1cc[nH+]c1 ZINC000759469552 645031220 /nfs/dbraw/zinc/03/12/20/645031220.db2.gz LQYUCGXBKDZYHD-ZYHUDNBSSA-N 1 2 291.376 2.374 20 10 CECDLO COC(=O)[C@@H]([NH2+]Cc1cccc(C)c1O)C(C)(C)C ZINC000768524743 646136097 /nfs/dbraw/zinc/13/60/97/646136097.db2.gz PQOBLNYNEUNOFH-CYBMUJFWSA-N 1 2 265.353 2.378 20 10 CECDLO CN(C)c1ccc(C[N@H+](C)Cc2nnc3ccccn32)cc1 ZINC000769204004 646223867 /nfs/dbraw/zinc/22/38/67/646223867.db2.gz QRBWFHPDYAWAOC-UHFFFAOYSA-N 1 2 295.390 2.427 20 10 CECDLO CN(C)c1ccc(C[N@@H+](C)Cc2nnc3ccccn32)cc1 ZINC000769204004 646223871 /nfs/dbraw/zinc/22/38/71/646223871.db2.gz QRBWFHPDYAWAOC-UHFFFAOYSA-N 1 2 295.390 2.427 20 10 CECDLO CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c1 ZINC000769465539 646272436 /nfs/dbraw/zinc/27/24/36/646272436.db2.gz HCWIHTXLNDEAIQ-PVUDRZGPSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)c1 ZINC000769465539 646272438 /nfs/dbraw/zinc/27/24/38/646272438.db2.gz HCWIHTXLNDEAIQ-PVUDRZGPSA-N 1 2 297.420 2.132 20 10 CECDLO CN(C)c1cc(F)c(C[NH+]2CC3(C2)CCOC3)cc1F ZINC000862380215 646426518 /nfs/dbraw/zinc/42/65/18/646426518.db2.gz CDCFLZRPAGGEGJ-UHFFFAOYSA-N 1 2 282.334 2.253 20 10 CECDLO COC[C@]1(C)C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000862552417 646496125 /nfs/dbraw/zinc/49/61/25/646496125.db2.gz YGTNHCWJVVDNGM-INIZCTEOSA-N 1 2 296.386 2.129 20 10 CECDLO COC[C@]1(C)C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000862552417 646496133 /nfs/dbraw/zinc/49/61/33/646496133.db2.gz YGTNHCWJVVDNGM-INIZCTEOSA-N 1 2 296.386 2.129 20 10 CECDLO C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[NH2+]1 ZINC000863484977 646740180 /nfs/dbraw/zinc/74/01/80/646740180.db2.gz QYBXZOCMPDWUHV-GZMMTYOYSA-N 1 2 299.758 2.184 20 10 CECDLO CCN(C)c1ccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)cc1 ZINC000773887627 646784487 /nfs/dbraw/zinc/78/44/87/646784487.db2.gz GFZFLPFDHYJZJE-KBPBESRZSA-N 1 2 294.464 2.484 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000775638526 646975228 /nfs/dbraw/zinc/97/52/28/646975228.db2.gz JNVRLOSADIINSY-SNVBAGLBSA-N 1 2 259.708 2.141 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000775638526 646975231 /nfs/dbraw/zinc/97/52/31/646975231.db2.gz JNVRLOSADIINSY-SNVBAGLBSA-N 1 2 259.708 2.141 20 10 CECDLO OCC[N@H+](Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000775652779 646976116 /nfs/dbraw/zinc/97/61/16/646976116.db2.gz TUSLNGKUDWVBDU-UHFFFAOYSA-N 1 2 259.708 2.141 20 10 CECDLO OCC[N@@H+](Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000775652779 646976120 /nfs/dbraw/zinc/97/61/20/646976120.db2.gz TUSLNGKUDWVBDU-UHFFFAOYSA-N 1 2 259.708 2.141 20 10 CECDLO OCCC1([NH2+]Cc2cccc(Cl)c2O)CCOCC1 ZINC000775759306 646989009 /nfs/dbraw/zinc/98/90/09/646989009.db2.gz SWOUNPDVXDKIAO-UHFFFAOYSA-N 1 2 285.771 2.067 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000777219165 647121386 /nfs/dbraw/zinc/12/13/86/647121386.db2.gz CXHUEAZMHUOKTD-NSHDSACASA-N 1 2 296.733 2.223 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000777219165 647121387 /nfs/dbraw/zinc/12/13/87/647121387.db2.gz CXHUEAZMHUOKTD-NSHDSACASA-N 1 2 296.733 2.223 20 10 CECDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)CC1CC(O)C1 ZINC000785984108 647975631 /nfs/dbraw/zinc/97/56/31/647975631.db2.gz FNIYFIAGLSFLNI-UHFFFAOYSA-N 1 2 273.735 2.387 20 10 CECDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)CC1CC(O)C1 ZINC000785984108 647975633 /nfs/dbraw/zinc/97/56/33/647975633.db2.gz FNIYFIAGLSFLNI-UHFFFAOYSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000788270791 648168319 /nfs/dbraw/zinc/16/83/19/648168319.db2.gz RURAHZQUSDUWCY-OIBJUYFYSA-N 1 2 259.708 2.140 20 10 CECDLO C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000788270791 648168322 /nfs/dbraw/zinc/16/83/22/648168322.db2.gz RURAHZQUSDUWCY-OIBJUYFYSA-N 1 2 259.708 2.140 20 10 CECDLO Cc1cnc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)o1 ZINC000789559698 648317279 /nfs/dbraw/zinc/31/72/79/648317279.db2.gz WLAWESJLXDSZJP-UHFFFAOYSA-N 1 2 263.316 2.478 20 10 CECDLO C[C@H](CC(=O)N1Cc2cccc(O)c2C1)n1cc[nH+]c1 ZINC000871206234 649033209 /nfs/dbraw/zinc/03/32/09/649033209.db2.gz WZRHGOUNUFDXOX-LLVKDONJSA-N 1 2 271.320 2.082 20 10 CECDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CN1C1CC1 ZINC000883034213 652337068 /nfs/dbraw/zinc/33/70/68/652337068.db2.gz ODQGWYBMIXXTFQ-JOYOIKCWSA-N 1 2 282.334 2.385 20 10 CECDLO Cn1c[nH+]c2ccc(NCCc3cc(O)c(O)cc3O)cc21 ZINC001168010690 805693232 /nfs/dbraw/zinc/69/32/32/805693232.db2.gz YXHDCMQYDJMDEK-UHFFFAOYSA-N 1 2 299.330 2.345 20 10 CECDLO Cn1ncc2c1C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140465851 802951854 /nfs/dbraw/zinc/95/18/54/802951854.db2.gz SDYJOQKLYUZNHG-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Cn1ncc2c1C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140465851 802951857 /nfs/dbraw/zinc/95/18/57/802951857.db2.gz SDYJOQKLYUZNHG-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(Cl)c1 ZINC001140921971 803606572 /nfs/dbraw/zinc/60/65/72/803606572.db2.gz YNXJPKBVGBMZJV-YPMHNXCESA-N 1 2 286.778 2.311 20 10 CECDLO CN(C)c1ccc(C[N@H+]2C[C@H](F)C[C@H]2CO)c(Cl)c1 ZINC001140921971 803606575 /nfs/dbraw/zinc/60/65/75/803606575.db2.gz YNXJPKBVGBMZJV-YPMHNXCESA-N 1 2 286.778 2.311 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236297098 808054502 /nfs/dbraw/zinc/05/45/02/808054502.db2.gz ZHRZRJQRWVQGEL-LDYMZIIASA-N 1 2 273.163 2.103 20 10 CECDLO COCCOC1C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001117814123 809325452 /nfs/dbraw/zinc/32/54/52/809325452.db2.gz VGBHCMJIVFBWQU-UHFFFAOYSA-N 1 2 290.407 2.134 20 10 CECDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)C[C@H]1[NH+](C)C ZINC000703501955 809652789 /nfs/dbraw/zinc/65/27/89/809652789.db2.gz MGRKGCBPXCSPRJ-BXKDBHETSA-N 1 2 270.323 2.052 20 10 CECDLO Oc1cccc(Br)c1CNCC[NH+]1CCCC1 ZINC000706851951 809857584 /nfs/dbraw/zinc/85/75/84/809857584.db2.gz AYOIHGUUCJETTH-UHFFFAOYSA-N 1 2 299.212 2.340 20 10 CECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000707134668 809881562 /nfs/dbraw/zinc/88/15/62/809881562.db2.gz JMWZIVIRXKIQSD-SECBINFHSA-N 1 2 286.169 2.375 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000707134668 809881565 /nfs/dbraw/zinc/88/15/65/809881565.db2.gz JMWZIVIRXKIQSD-SECBINFHSA-N 1 2 286.169 2.375 20 10 CECDLO Cc1nnc([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)[nH]1 ZINC000392476194 813306254 /nfs/dbraw/zinc/30/62/54/813306254.db2.gz SNECNECVGWHZMR-ZETCQYMHSA-N 1 2 266.732 2.323 20 10 CECDLO CN1CC[N@H+](Cc2c(O)cccc2F)CC1(C)C ZINC001137839256 815694097 /nfs/dbraw/zinc/69/40/97/815694097.db2.gz YLZQSEUHBIPGFB-UHFFFAOYSA-N 1 2 252.333 2.057 20 10 CECDLO CN1CC[N@@H+](Cc2c(O)cccc2F)CC1(C)C ZINC001137839256 815694102 /nfs/dbraw/zinc/69/41/02/815694102.db2.gz YLZQSEUHBIPGFB-UHFFFAOYSA-N 1 2 252.333 2.057 20 10 CECDLO CN1CCC[C@H]2C[N@H+](Cc3c(O)cccc3F)C[C@H]21 ZINC001137840245 815695553 /nfs/dbraw/zinc/69/55/53/815695553.db2.gz UKTRTTVWNATNAY-SMDDNHRTSA-N 1 2 264.344 2.057 20 10 CECDLO CN1CCC[C@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@H]21 ZINC001137840245 815695557 /nfs/dbraw/zinc/69/55/57/815695557.db2.gz UKTRTTVWNATNAY-SMDDNHRTSA-N 1 2 264.344 2.057 20 10 CECDLO Oc1c(F)cccc1C[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001138128566 815734881 /nfs/dbraw/zinc/73/48/81/815734881.db2.gz RSNRTELFXMARGU-UHFFFAOYSA-N 1 2 286.297 2.057 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H](F)C1 ZINC001139127411 815965380 /nfs/dbraw/zinc/96/53/80/815965380.db2.gz VWYTZOUVJADLEC-SNVBAGLBSA-N 1 2 277.295 2.351 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H](F)C1 ZINC001139127411 815965385 /nfs/dbraw/zinc/96/53/85/815965385.db2.gz VWYTZOUVJADLEC-SNVBAGLBSA-N 1 2 277.295 2.351 20 10 CECDLO CN(C)c1ccc(C[NH+]2CCN(CCF)CC2)c(Cl)c1 ZINC001140925608 816412609 /nfs/dbraw/zinc/41/26/09/816412609.db2.gz SRHYYXYMLZKUCK-UHFFFAOYSA-N 1 2 299.821 2.493 20 10 CECDLO COC(=O)CC1C[NH+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924408 816412634 /nfs/dbraw/zinc/41/26/34/816412634.db2.gz IWDWGMWDFZUQCA-UHFFFAOYSA-N 1 2 296.798 2.401 20 10 CECDLO Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)CO3)c(O)c1 ZINC001140958014 816425626 /nfs/dbraw/zinc/42/56/26/816425626.db2.gz PUJMIGWLBWLZGE-UHFFFAOYSA-N 1 2 269.291 2.311 20 10 CECDLO CCN(C)c1ccc([C@H](C)[NH2+]Cc2ncn(C)n2)cc1 ZINC000090970133 364069455 /nfs/dbraw/zinc/06/94/55/364069455.db2.gz ZPHVFBDWVCNTCX-LBPRGKRZSA-N 1 2 273.384 2.122 20 10 CECDLO NC(=O)CC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179720305 368349270 /nfs/dbraw/zinc/34/92/70/368349270.db2.gz GIRZUARAGUFXEG-UHFFFAOYSA-N 1 2 282.771 2.133 20 10 CECDLO Cc1cn2c([nH+]1)CN(Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000359892439 371492656 /nfs/dbraw/zinc/49/26/56/371492656.db2.gz BLPSFGSNCLHFEK-UHFFFAOYSA-N 1 2 288.370 2.412 20 10 CECDLO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000189412272 284302589 /nfs/dbraw/zinc/30/25/89/284302589.db2.gz QAVQWWOZQSWLPO-DTWKUNHWSA-N 1 2 286.322 2.188 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1 ZINC000271192904 373172117 /nfs/dbraw/zinc/17/21/17/373172117.db2.gz MLPKOTCCMZCGIQ-HTGLOVNISA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(O)c(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c1 ZINC000271192904 373172126 /nfs/dbraw/zinc/17/21/26/373172126.db2.gz MLPKOTCCMZCGIQ-HTGLOVNISA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(O)c(C[N@H+](C)Cc2nccn2C)c1 ZINC000273770004 373770887 /nfs/dbraw/zinc/77/08/87/373770887.db2.gz QPAWMNFTEYCQCJ-UHFFFAOYSA-N 1 2 275.352 2.156 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2nccn2C)c1 ZINC000273770004 373770892 /nfs/dbraw/zinc/77/08/92/373770892.db2.gz QPAWMNFTEYCQCJ-UHFFFAOYSA-N 1 2 275.352 2.156 20 10 CECDLO C[C@H]([NH2+]Cc1ccn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273557679 373765059 /nfs/dbraw/zinc/76/50/59/373765059.db2.gz HFAPTJLNYDBUFA-JTQLQIEISA-N 1 2 275.308 2.490 20 10 CECDLO COc1ccc(O)c([C@@H](C)[N@@H+]2CCn3cc(C)nc3C2)c1 ZINC000375253657 374649384 /nfs/dbraw/zinc/64/93/84/374649384.db2.gz UUMYYFUKSSVAJP-GFCCVEGCSA-N 1 2 287.363 2.483 20 10 CECDLO COc1ccc(O)c([C@@H](C)[N@H+]2CCn3cc(C)nc3C2)c1 ZINC000375253657 374649388 /nfs/dbraw/zinc/64/93/88/374649388.db2.gz UUMYYFUKSSVAJP-GFCCVEGCSA-N 1 2 287.363 2.483 20 10 CECDLO Cc1cccc(C[NH+]2CC(OC(=O)NC(C)C)C2)c1O ZINC000297524473 378686608 /nfs/dbraw/zinc/68/66/08/378686608.db2.gz YQCZQPFCHOPVJM-UHFFFAOYSA-N 1 2 278.352 2.019 20 10 CECDLO COc1ccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)c(OC)c1 ZINC000492769421 380682723 /nfs/dbraw/zinc/68/27/23/380682723.db2.gz PTTBAJXFBVROIX-QPJJXVBHSA-N 1 2 287.319 2.103 20 10 CECDLO COc1cccc(C[N@H+](C)Cc2cscn2)c1O ZINC000120245136 394777406 /nfs/dbraw/zinc/77/74/06/394777406.db2.gz YKSKRQLYXRUNRU-UHFFFAOYSA-N 1 2 264.350 2.489 20 10 CECDLO COc1cccc(C[N@@H+](C)Cc2cscn2)c1O ZINC000120245136 394777409 /nfs/dbraw/zinc/77/74/09/394777409.db2.gz YKSKRQLYXRUNRU-UHFFFAOYSA-N 1 2 264.350 2.489 20 10 CECDLO CO[C@@H]1Cc2ccccc2N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000282869274 394926151 /nfs/dbraw/zinc/92/61/51/394926151.db2.gz UMHLHFVZOBFAJP-PSKZRQQASA-N 1 2 283.331 2.027 20 10 CECDLO Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)c(O)c1O ZINC000373311381 395058372 /nfs/dbraw/zinc/05/83/72/395058372.db2.gz PZAQWKLVDAOFME-LLVKDONJSA-N 1 2 287.319 2.107 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC3(CCC3)C2)c1O ZINC000154210116 261089303 /nfs/dbraw/zinc/08/93/03/261089303.db2.gz GOKHSASNRHTOQR-UHFFFAOYSA-N 1 2 293.338 2.489 20 10 CECDLO C[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000130748081 288348226 /nfs/dbraw/zinc/34/82/26/288348226.db2.gz JIOKCISZVGQDFV-LLVKDONJSA-N 1 2 252.333 2.112 20 10 CECDLO C[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000130748081 288348228 /nfs/dbraw/zinc/34/82/28/288348228.db2.gz JIOKCISZVGQDFV-LLVKDONJSA-N 1 2 252.333 2.112 20 10 CECDLO CC(C)C(=O)N1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271860431 328198325 /nfs/dbraw/zinc/19/83/25/328198325.db2.gz YQIPCDYBXPINEC-UHFFFAOYSA-N 1 2 296.798 2.346 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377709675 329026246 /nfs/dbraw/zinc/02/62/46/329026246.db2.gz ZGDGDKWTMBQIAX-HIFRSBDPSA-N 1 2 297.782 2.425 20 10 CECDLO COc1cc(Cl)cc(C[N@H+](C)Cc2nccn2C)c1O ZINC000228677714 329059344 /nfs/dbraw/zinc/05/93/44/329059344.db2.gz GPEDJIHGGKQYEE-UHFFFAOYSA-N 1 2 295.770 2.420 20 10 CECDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2nccn2C)c1O ZINC000228677714 329059346 /nfs/dbraw/zinc/05/93/46/329059346.db2.gz GPEDJIHGGKQYEE-UHFFFAOYSA-N 1 2 295.770 2.420 20 10 CECDLO C[N@H+](Cc1cccc(F)c1O)[C@H]1CC[C@H](O)CC1 ZINC000275916917 523315099 /nfs/dbraw/zinc/31/50/99/523315099.db2.gz GADAKOXWJGJHLV-HAQNSBGRSA-N 1 2 253.317 2.267 20 10 CECDLO C[N@@H+](Cc1cccc(F)c1O)[C@H]1CC[C@H](O)CC1 ZINC000275916917 523315107 /nfs/dbraw/zinc/31/51/07/523315107.db2.gz GADAKOXWJGJHLV-HAQNSBGRSA-N 1 2 253.317 2.267 20 10 CECDLO COCCOCCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276203656 523997314 /nfs/dbraw/zinc/99/73/14/523997314.db2.gz NZHKSVLBHDPKGG-SNVBAGLBSA-N 1 2 289.322 2.374 20 10 CECDLO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000286904571 524569844 /nfs/dbraw/zinc/56/98/44/524569844.db2.gz DSDSCKYWPNMUST-IUCAKERBSA-N 1 2 258.312 2.271 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(F)c(F)c1O ZINC000276638284 525624376 /nfs/dbraw/zinc/62/43/76/525624376.db2.gz OLDWWKVVJGZBAD-SFYZADRCSA-N 1 2 282.294 2.211 20 10 CECDLO C/C=C/C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726629958 574428172 /nfs/dbraw/zinc/42/81/72/574428172.db2.gz FNHAWTSZQLFAEL-ONEGZZNKSA-N 1 2 274.364 2.356 20 10 CECDLO O=C(C1CC1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000728299124 574463881 /nfs/dbraw/zinc/46/38/81/574463881.db2.gz BMUQYLSUIQPFHW-UHFFFAOYSA-N 1 2 294.782 2.100 20 10 CECDLO Cc1cccn2cc(CNC(=O)C3=CC(=O)CS3)[nH+]c12 ZINC000736673033 574794316 /nfs/dbraw/zinc/79/43/16/574794316.db2.gz DONQZNBBTNHSPE-UHFFFAOYSA-N 1 2 287.344 2.340 20 10 CECDLO COCC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000811517665 622586367 /nfs/dbraw/zinc/58/63/67/622586367.db2.gz YOMURKBQBBAPMY-NSHDSACASA-N 1 2 291.750 2.326 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@H](CF)C1 ZINC000840955822 628877738 /nfs/dbraw/zinc/87/77/38/628877738.db2.gz ZZMHWBOJRTYCOS-SECBINFHSA-N 1 2 259.708 2.216 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H](CF)C1 ZINC000840955822 628877740 /nfs/dbraw/zinc/87/77/40/628877740.db2.gz ZZMHWBOJRTYCOS-SECBINFHSA-N 1 2 259.708 2.216 20 10 CECDLO CN(Cc1cc(F)cc(F)c1O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000894003500 629083663 /nfs/dbraw/zinc/08/36/63/629083663.db2.gz LTSKINZNXPDJIB-ZDUSSCGKSA-N 1 2 282.334 2.339 20 10 CECDLO CN(Cc1cc(F)cc(F)c1O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000894003500 629083666 /nfs/dbraw/zinc/08/36/66/629083666.db2.gz LTSKINZNXPDJIB-ZDUSSCGKSA-N 1 2 282.334 2.339 20 10 CECDLO CCCCC[N@@H+](CC(N)=O)Cc1cc(F)cc(F)c1O ZINC000894430986 629456224 /nfs/dbraw/zinc/45/62/24/629456224.db2.gz IHVPTGYWFPOGJD-UHFFFAOYSA-N 1 2 286.322 2.148 20 10 CECDLO CCCCC[N@H+](CC(N)=O)Cc1cc(F)cc(F)c1O ZINC000894430986 629456222 /nfs/dbraw/zinc/45/62/22/629456222.db2.gz IHVPTGYWFPOGJD-UHFFFAOYSA-N 1 2 286.322 2.148 20 10 CECDLO CC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)C(=O)OC ZINC000895120912 629924279 /nfs/dbraw/zinc/92/42/79/629924279.db2.gz CMZGISSZFLIXOM-VIFPVBQESA-N 1 2 271.744 2.334 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895699996 630306461 /nfs/dbraw/zinc/30/64/61/630306461.db2.gz OZHKGPLUKYHYOB-UHFFFAOYSA-N 1 2 299.317 2.052 20 10 CECDLO COc1ccc(C[NH+]2CC(OC(C)(C)C)C2)c(O)c1OC ZINC000895871480 630380498 /nfs/dbraw/zinc/38/04/98/630380498.db2.gz XGFSEHCTPTWPHE-UHFFFAOYSA-N 1 2 295.379 2.409 20 10 CECDLO C[C@H]1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1C ZINC000896558645 630598180 /nfs/dbraw/zinc/59/81/80/630598180.db2.gz PNDUIWNEKIMWKE-QPUJVOFHSA-N 1 2 272.751 2.367 20 10 CECDLO CC1(C)CC[N@H+](Cc2cccc(F)c2O)CC[S@@]1=O ZINC000322101101 631723049 /nfs/dbraw/zinc/72/30/49/631723049.db2.gz JFZJLATVLMETIR-IBGZPJMESA-N 1 2 285.384 2.264 20 10 CECDLO CCOc1ccc(C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c(O)c1 ZINC000897621507 631826149 /nfs/dbraw/zinc/82/61/49/631826149.db2.gz FHHWAJULNNFTRX-WMLDXEAASA-N 1 2 290.407 2.174 20 10 CECDLO CCOc1ccc(C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)c(O)c1 ZINC000897621507 631826156 /nfs/dbraw/zinc/82/61/56/631826156.db2.gz FHHWAJULNNFTRX-WMLDXEAASA-N 1 2 290.407 2.174 20 10 CECDLO CCOc1ccc(C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c(O)c1 ZINC000897621507 631826161 /nfs/dbraw/zinc/82/61/61/631826161.db2.gz FHHWAJULNNFTRX-WMLDXEAASA-N 1 2 290.407 2.174 20 10 CECDLO CCOc1ccc(C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)c(O)c1 ZINC000897621507 631826165 /nfs/dbraw/zinc/82/61/65/631826165.db2.gz FHHWAJULNNFTRX-WMLDXEAASA-N 1 2 290.407 2.174 20 10 CECDLO Cc1nonc1C[NH2+]Cc1cccc(Br)c1O ZINC000809744758 632138407 /nfs/dbraw/zinc/13/84/07/632138407.db2.gz BNWPKTUJDMQCGZ-UHFFFAOYSA-N 1 2 298.140 2.136 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH+]1CC2(C1)CCOC2 ZINC000816668930 633460320 /nfs/dbraw/zinc/46/03/20/633460320.db2.gz BZDGVNBSJLWPTH-UHFFFAOYSA-N 1 2 271.719 2.407 20 10 CECDLO C[C@H]([NH2+]C1CC(CCO)C1)c1cc(F)cc(F)c1O ZINC000903330565 635077808 /nfs/dbraw/zinc/07/78/08/635077808.db2.gz RSJMJQLNZKGLAL-SILCLGDVSA-N 1 2 271.307 2.482 20 10 CECDLO CCOC(=O)C[N@H+](CCOC(C)C)Cc1ccccc1O ZINC000823576454 635218602 /nfs/dbraw/zinc/21/86/02/635218602.db2.gz OQFIJSBQMKFIJG-UHFFFAOYSA-N 1 2 295.379 2.182 20 10 CECDLO CCOC(=O)C[N@@H+](CCOC(C)C)Cc1ccccc1O ZINC000823576454 635218609 /nfs/dbraw/zinc/21/86/09/635218609.db2.gz OQFIJSBQMKFIJG-UHFFFAOYSA-N 1 2 295.379 2.182 20 10 CECDLO O=C1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3O)CC[C@H]2N1 ZINC000827133051 636228473 /nfs/dbraw/zinc/22/84/73/636228473.db2.gz QVWZBCKVDCVYCV-GXFFZTMASA-N 1 2 294.782 2.146 20 10 CECDLO O=C1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CC[C@H]2N1 ZINC000827133051 636228479 /nfs/dbraw/zinc/22/84/79/636228479.db2.gz QVWZBCKVDCVYCV-GXFFZTMASA-N 1 2 294.782 2.146 20 10 CECDLO C[C@@H]([NH2+]CCC1(CO)CC1)c1cc(F)cc(F)c1O ZINC000834896866 637980312 /nfs/dbraw/zinc/98/03/12/637980312.db2.gz OPNBYZBYPAHLEE-SECBINFHSA-N 1 2 271.307 2.484 20 10 CECDLO Cc1ccc(C[N@H+](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC000876659301 650384344 /nfs/dbraw/zinc/38/43/44/650384344.db2.gz SQFZCSDHQZCSAC-UHFFFAOYSA-N 1 2 265.353 2.474 20 10 CECDLO Cc1ccc(C[N@@H+](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC000876659301 650384346 /nfs/dbraw/zinc/38/43/46/650384346.db2.gz SQFZCSDHQZCSAC-UHFFFAOYSA-N 1 2 265.353 2.474 20 10 CECDLO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)c(O)c1 ZINC000876662672 650385738 /nfs/dbraw/zinc/38/57/38/650385738.db2.gz QDCXBPNLKXBXKG-GFCCVEGCSA-N 1 2 259.309 2.421 20 10 CECDLO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)c(O)c1 ZINC000876662672 650385740 /nfs/dbraw/zinc/38/57/40/650385740.db2.gz QDCXBPNLKXBXKG-GFCCVEGCSA-N 1 2 259.309 2.421 20 10 CECDLO Cc1cnc(CC[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000835061529 638044834 /nfs/dbraw/zinc/04/48/34/638044834.db2.gz MQWGOTPHXMQXAP-UHFFFAOYSA-N 1 2 277.755 2.476 20 10 CECDLO O=C1[C@H]([NH2+]Cc2cccc(Cl)c2O)C[C@@H]2CCCCN12 ZINC000835075664 638049776 /nfs/dbraw/zinc/04/97/76/638049776.db2.gz ZLUYKQGAFLDRRI-WCQYABFASA-N 1 2 294.782 2.289 20 10 CECDLO Cc1cc(C)c(C(=O)NCc2ccc(O)cc2O)c(C)[nH+]1 ZINC000910957198 638195940 /nfs/dbraw/zinc/19/59/40/638195940.db2.gz PYJHYRPGSYRBTJ-UHFFFAOYSA-N 1 2 286.331 2.348 20 10 CECDLO CCc1cc(C[NH2+]Cc2ccc(F)c(F)c2O)[nH]n1 ZINC000877033450 650540300 /nfs/dbraw/zinc/54/03/00/650540300.db2.gz AEKOIQWHKAJPEZ-UHFFFAOYSA-N 1 2 267.279 2.246 20 10 CECDLO COc1ncncc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000843390960 640415210 /nfs/dbraw/zinc/41/52/10/640415210.db2.gz JYCDDVRZYJESPS-UHFFFAOYSA-N 1 2 286.379 2.183 20 10 CECDLO COc1ncncc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000843390960 640415211 /nfs/dbraw/zinc/41/52/11/640415211.db2.gz JYCDDVRZYJESPS-UHFFFAOYSA-N 1 2 286.379 2.183 20 10 CECDLO CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)[C@H](O)C(F)(F)F ZINC000877126452 650585083 /nfs/dbraw/zinc/58/50/83/650585083.db2.gz KWVNPEURDKKJLG-KCJUWKMLSA-N 1 2 299.239 2.462 20 10 CECDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1cc(C)ccc1O ZINC000768230040 642090463 /nfs/dbraw/zinc/09/04/63/642090463.db2.gz PYZPBQQEVYJDLC-ZDUSSCGKSA-N 1 2 295.404 2.181 20 10 CECDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1cc(C)ccc1O ZINC000768230040 642090469 /nfs/dbraw/zinc/09/04/69/642090469.db2.gz PYZPBQQEVYJDLC-ZDUSSCGKSA-N 1 2 295.404 2.181 20 10 CECDLO COc1ccc(O)c(C[N@H+](C)[C@H](C)c2nc(C)no2)c1 ZINC000848925951 642197155 /nfs/dbraw/zinc/19/71/55/642197155.db2.gz OETYUFRNBXOXSZ-SECBINFHSA-N 1 2 277.324 2.285 20 10 CECDLO COc1ccc(O)c(C[N@@H+](C)[C@H](C)c2nc(C)no2)c1 ZINC000848925951 642197161 /nfs/dbraw/zinc/19/71/61/642197161.db2.gz OETYUFRNBXOXSZ-SECBINFHSA-N 1 2 277.324 2.285 20 10 CECDLO CC[C@H]([NH2+]C[C@](C)(O)COC)c1cccc(Cl)c1O ZINC000806140720 644423116 /nfs/dbraw/zinc/42/31/16/644423116.db2.gz ZOSPYCBZKMWRLU-JSGCOSHPSA-N 1 2 287.787 2.484 20 10 CECDLO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(F)cc(F)c1O ZINC000756534701 644659746 /nfs/dbraw/zinc/65/97/46/644659746.db2.gz NAEKDOUHCWCKMU-SCZZXKLOSA-N 1 2 256.296 2.025 20 10 CECDLO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(F)cc(F)c1O ZINC000756662188 644680808 /nfs/dbraw/zinc/68/08/08/644680808.db2.gz XSORIFYIGLAILM-WCABBAIRSA-N 1 2 269.291 2.258 20 10 CECDLO COC(=O)C[N@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000768465311 646127767 /nfs/dbraw/zinc/12/77/67/646127767.db2.gz ZLTGIWAOGPNQKU-UHFFFAOYSA-N 1 2 289.375 2.408 20 10 CECDLO COC(=O)C[N@@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000768465311 646127769 /nfs/dbraw/zinc/12/77/69/646127769.db2.gz ZLTGIWAOGPNQKU-UHFFFAOYSA-N 1 2 289.375 2.408 20 10 CECDLO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)cc(F)c1O ZINC000863547655 646754168 /nfs/dbraw/zinc/75/41/68/646754168.db2.gz RGXLXGCSXXABFV-FXPVBKGRSA-N 1 2 270.323 2.462 20 10 CECDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cccc(F)c1O ZINC000775985478 647013787 /nfs/dbraw/zinc/01/37/87/647013787.db2.gz LRNNQKJFXGFKBJ-GHMZBOCLSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cccc(F)c1O ZINC000775985478 647013789 /nfs/dbraw/zinc/01/37/89/647013789.db2.gz LRNNQKJFXGFKBJ-GHMZBOCLSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)[C@H](C)CN1C ZINC000775985478 647013791 /nfs/dbraw/zinc/01/37/91/647013791.db2.gz LRNNQKJFXGFKBJ-GHMZBOCLSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)[C@H](C)CN1C ZINC000775985478 647013794 /nfs/dbraw/zinc/01/37/94/647013794.db2.gz LRNNQKJFXGFKBJ-GHMZBOCLSA-N 1 2 252.333 2.056 20 10 CECDLO CN1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776041399 647018776 /nfs/dbraw/zinc/01/87/76/647018776.db2.gz LEDLEHZEMWOONC-LLVKDONJSA-N 1 2 272.751 2.369 20 10 CECDLO COCC[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCOC1 ZINC000787334132 648100638 /nfs/dbraw/zinc/10/06/38/648100638.db2.gz DWNSPBPUYFAEOY-LBPRGKRZSA-N 1 2 285.771 2.283 20 10 CECDLO COCC[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCOC1 ZINC000787334132 648100646 /nfs/dbraw/zinc/10/06/46/648100646.db2.gz DWNSPBPUYFAEOY-LBPRGKRZSA-N 1 2 285.771 2.283 20 10 CECDLO C[N@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000792167655 648618225 /nfs/dbraw/zinc/61/82/25/648618225.db2.gz NWFVTDSFSRAJBC-MRVPVSSYSA-N 1 2 259.708 2.405 20 10 CECDLO C[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000792167655 648618229 /nfs/dbraw/zinc/61/82/29/648618229.db2.gz NWFVTDSFSRAJBC-MRVPVSSYSA-N 1 2 259.708 2.405 20 10 CECDLO C[N@@H+]1CCN(C(=O)C2=CC(=O)CS2)C[C@@H]1C(C)(C)C ZINC000880614029 651472245 /nfs/dbraw/zinc/47/22/45/651472245.db2.gz PIQPEYIVSRCQBV-GFCCVEGCSA-N 1 2 282.409 2.256 20 10 CECDLO C[N@H+]1CCN(C(=O)C2=CC(=O)CS2)C[C@@H]1C(C)(C)C ZINC000880614029 651472248 /nfs/dbraw/zinc/47/22/48/651472248.db2.gz PIQPEYIVSRCQBV-GFCCVEGCSA-N 1 2 282.409 2.256 20 10 CECDLO C[NH2+][C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000128855405 651614116 /nfs/dbraw/zinc/61/41/16/651614116.db2.gz SXYDKHGXGPQPKQ-JTQLQIEISA-N 1 2 275.179 2.493 20 10 CECDLO Cc1cc(C[C@H](C)[NH2+]Cc2cc(F)cc(F)c2O)[nH]n1 ZINC000883049581 652346792 /nfs/dbraw/zinc/34/67/92/652346792.db2.gz QDTFIRHLWNRMLV-QMMMGPOBSA-N 1 2 281.306 2.423 20 10 CECDLO Cc1cc(C[C@H](C)[NH2+]Cc2cc(F)cc(F)c2O)n[nH]1 ZINC000883049581 652346794 /nfs/dbraw/zinc/34/67/94/652346794.db2.gz QDTFIRHLWNRMLV-QMMMGPOBSA-N 1 2 281.306 2.423 20 10 CECDLO C[C@@H]([NH2+]CCO)c1cc(Br)cc(Cl)c1O ZINC000134911153 652887420 /nfs/dbraw/zinc/88/74/20/652887420.db2.gz VFPRFTVLSLWCJS-ZCFIWIBFSA-N 1 2 294.576 2.451 20 10 CECDLO FC1(F)C[NH2+]CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001210814803 802740674 /nfs/dbraw/zinc/74/06/74/802740674.db2.gz KIFKPEZLERSLBZ-UHFFFAOYSA-N 1 2 295.377 2.327 20 10 CECDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724918114 803347547 /nfs/dbraw/zinc/34/75/47/803347547.db2.gz QFTYDTNDQMQABK-DMLGSKKGSA-N 1 2 298.180 2.158 20 10 CECDLO C[C@@H](CCO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715719975 814987465 /nfs/dbraw/zinc/98/74/65/814987465.db2.gz HWLBEHWLPBOUSZ-ZETCQYMHSA-N 1 2 292.148 2.154 20 10 CECDLO COC(=O)CC[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685940 804455989 /nfs/dbraw/zinc/45/59/89/804455989.db2.gz GOZLZJHPQMZAJC-JTQLQIEISA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)CC[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685940 804455994 /nfs/dbraw/zinc/45/59/94/804455994.db2.gz GOZLZJHPQMZAJC-JTQLQIEISA-N 1 2 299.317 2.446 20 10 CECDLO CC[N@H+](Cc1cccc(Cl)c1O)C1CN(C)C1 ZINC001231914174 807198086 /nfs/dbraw/zinc/19/80/86/807198086.db2.gz GQIWVKNLEWPCSO-UHFFFAOYSA-N 1 2 254.761 2.182 20 10 CECDLO CC[N@@H+](Cc1cccc(Cl)c1O)C1CN(C)C1 ZINC001231914174 807198090 /nfs/dbraw/zinc/19/80/90/807198090.db2.gz GQIWVKNLEWPCSO-UHFFFAOYSA-N 1 2 254.761 2.182 20 10 CECDLO CC(=O)c1cc(O)c(O)cc1OC1CC[NH+](CCF)CC1 ZINC001234474359 807672220 /nfs/dbraw/zinc/67/22/20/807672220.db2.gz RNLAGVPYZHKMQO-UHFFFAOYSA-N 1 2 297.326 2.113 20 10 CECDLO C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143110796 809021391 /nfs/dbraw/zinc/02/13/91/809021391.db2.gz PLFUUILOPDXEPU-NSHDSACASA-N 1 2 276.380 2.010 20 10 CECDLO C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143110796 809021398 /nfs/dbraw/zinc/02/13/98/809021398.db2.gz PLFUUILOPDXEPU-NSHDSACASA-N 1 2 276.380 2.010 20 10 CECDLO COCCC[N@H+](CCOC)Cc1ccc(F)c(F)c1O ZINC000703528218 809658945 /nfs/dbraw/zinc/65/89/45/809658945.db2.gz FQMANFRCKREUBZ-UHFFFAOYSA-N 1 2 289.322 2.155 20 10 CECDLO COCCC[N@@H+](CCOC)Cc1ccc(F)c(F)c1O ZINC000703528218 809658949 /nfs/dbraw/zinc/65/89/49/809658949.db2.gz FQMANFRCKREUBZ-UHFFFAOYSA-N 1 2 289.322 2.155 20 10 CECDLO OCC1([NH2+]Cc2cc(F)cc(F)c2O)CCCC1 ZINC000708559863 809945129 /nfs/dbraw/zinc/94/51/29/809945129.db2.gz VRFAFDIUKQEOPL-UHFFFAOYSA-N 1 2 257.280 2.065 20 10 CECDLO Oc1ccc(CNc2cc(N3CCCC3)nc[nH+]2)cc1O ZINC001169990444 811851032 /nfs/dbraw/zinc/85/10/32/811851032.db2.gz FWQWFJYKIQCAHS-UHFFFAOYSA-N 1 2 286.335 2.100 20 10 CECDLO Oc1ccc(CNc2cc(N3CCCC3)[nH+]cn2)cc1O ZINC001169990444 811851042 /nfs/dbraw/zinc/85/10/42/811851042.db2.gz FWQWFJYKIQCAHS-UHFFFAOYSA-N 1 2 286.335 2.100 20 10 CECDLO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)F ZINC000389952159 813257737 /nfs/dbraw/zinc/25/77/37/813257737.db2.gz XSPDLHPHGWBCTJ-NSHDSACASA-N 1 2 270.323 2.266 20 10 CECDLO Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc[nH+]1 ZINC001146680198 814308687 /nfs/dbraw/zinc/30/86/87/814308687.db2.gz ZMOJNPFDPSGFIV-UHFFFAOYSA-N 1 2 283.291 2.227 20 10 CECDLO Oc1cccc(F)c1C[NH+]1CC2(C1)CCCCO2 ZINC001137833161 815692429 /nfs/dbraw/zinc/69/24/29/815692429.db2.gz VNWDRWUVDZMJML-UHFFFAOYSA-N 1 2 251.301 2.286 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c(OC)c1 ZINC001138386025 815784677 /nfs/dbraw/zinc/78/46/77/815784677.db2.gz FAXOEGGKBLKKQY-LSDHHAIUSA-N 1 2 296.386 2.056 20 10 CECDLO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](F)C2)c(OC)c1 ZINC001138386025 815784679 /nfs/dbraw/zinc/78/46/79/815784679.db2.gz FAXOEGGKBLKKQY-LSDHHAIUSA-N 1 2 296.386 2.056 20 10 CECDLO CCN(CC)c1ccc(C[NH+]2CCN(C)CC2)c(OC)c1 ZINC001138387773 815786670 /nfs/dbraw/zinc/78/66/70/815786670.db2.gz KXYIXXVBDBMUNG-UHFFFAOYSA-N 1 2 291.439 2.289 20 10 CECDLO C[C@@]1(O)CCCC[N@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685637 816081714 /nfs/dbraw/zinc/08/17/14/816081714.db2.gz QXZHKCHEMPXCJQ-CQSZACIVSA-N 1 2 271.307 2.407 20 10 CECDLO C[C@@]1(O)CCCC[N@@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685637 816081718 /nfs/dbraw/zinc/08/17/18/816081718.db2.gz QXZHKCHEMPXCJQ-CQSZACIVSA-N 1 2 271.307 2.407 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3ccnnc3)CC2)c(C)c1 ZINC001139986787 816158525 /nfs/dbraw/zinc/15/85/25/816158525.db2.gz RRYIBDKTYWRPSA-UHFFFAOYSA-N 1 2 298.390 2.116 20 10 CECDLO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140582991 816290432 /nfs/dbraw/zinc/29/04/32/816290432.db2.gz SINMDMYTGJSODZ-WPRPVWTQSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140582991 816290439 /nfs/dbraw/zinc/29/04/39/816290439.db2.gz SINMDMYTGJSODZ-WPRPVWTQSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@@]1(O)CCC[N@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583051 816290590 /nfs/dbraw/zinc/29/05/90/816290590.db2.gz VAQNTGDTJBNBHM-CQSZACIVSA-N 1 2 271.307 2.407 20 10 CECDLO C[C@@]1(O)CCC[N@@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583051 816290596 /nfs/dbraw/zinc/29/05/96/816290596.db2.gz VAQNTGDTJBNBHM-CQSZACIVSA-N 1 2 271.307 2.407 20 10 CECDLO C[C@@]1(O)CCCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582432 816291082 /nfs/dbraw/zinc/29/10/82/816291082.db2.gz IZJDSZFKIQGGKM-CQSZACIVSA-N 1 2 271.307 2.407 20 10 CECDLO C[C@@]1(O)CCCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582432 816291087 /nfs/dbraw/zinc/29/10/87/816291087.db2.gz IZJDSZFKIQGGKM-CQSZACIVSA-N 1 2 271.307 2.407 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@H](O)CC1 ZINC001140582103 816291756 /nfs/dbraw/zinc/29/17/56/816291756.db2.gz DDIVMCZXAKSIAW-JTQLQIEISA-N 1 2 257.280 2.017 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@H](O)CC1 ZINC001140582103 816291758 /nfs/dbraw/zinc/29/17/58/816291758.db2.gz DDIVMCZXAKSIAW-JTQLQIEISA-N 1 2 257.280 2.017 20 10 CECDLO CCO[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584180 816292714 /nfs/dbraw/zinc/29/27/14/816292714.db2.gz HIHFZNPDFZSCNA-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO CCO[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584180 816292720 /nfs/dbraw/zinc/29/27/20/816292720.db2.gz HIHFZNPDFZSCNA-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)CCC1=O ZINC001142508880 816677427 /nfs/dbraw/zinc/67/74/27/816677427.db2.gz OTUPBLLWNWBAAB-SECBINFHSA-N 1 2 269.291 2.471 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)CCC1=O ZINC001142508880 816677432 /nfs/dbraw/zinc/67/74/32/816677432.db2.gz OTUPBLLWNWBAAB-SECBINFHSA-N 1 2 269.291 2.471 20 10 CECDLO OC[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCC1(F)F ZINC001142508568 816677996 /nfs/dbraw/zinc/67/79/96/816677996.db2.gz CZFRKVCKAZBHBF-VIFPVBQESA-N 1 2 293.260 2.120 20 10 CECDLO OC[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCC1(F)F ZINC001142508568 816678000 /nfs/dbraw/zinc/67/80/00/816678000.db2.gz CZFRKVCKAZBHBF-VIFPVBQESA-N 1 2 293.260 2.120 20 10 CECDLO CCN1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC1=O ZINC001143112312 816785774 /nfs/dbraw/zinc/78/57/74/816785774.db2.gz PSVAWVSPPTUZCT-UHFFFAOYSA-N 1 2 290.407 2.354 20 10 CECDLO CCN1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC1=O ZINC001143112312 816785780 /nfs/dbraw/zinc/78/57/80/816785780.db2.gz PSVAWVSPPTUZCT-UHFFFAOYSA-N 1 2 290.407 2.354 20 10 CECDLO CC(=O)OC1C[NH+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110298 816787112 /nfs/dbraw/zinc/78/71/12/816787112.db2.gz BWWXNGLOWIGWEI-UHFFFAOYSA-N 1 2 277.364 2.437 20 10 CECDLO COC(=O)C[N@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143111516 816787807 /nfs/dbraw/zinc/78/78/07/816787807.db2.gz CGQGGDRYVGCSEP-UHFFFAOYSA-N 1 2 265.353 2.295 20 10 CECDLO COC(=O)C[N@@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143111516 816787809 /nfs/dbraw/zinc/78/78/09/816787809.db2.gz CGQGGDRYVGCSEP-UHFFFAOYSA-N 1 2 265.353 2.295 20 10 CECDLO CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc(Cl)c1O ZINC000287277823 376193327 /nfs/dbraw/zinc/19/33/27/376193327.db2.gz BHZBZNGUVSUQDP-OCCSQVGLSA-N 1 2 285.771 2.238 20 10 CECDLO CCOC(=O)[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H](C)CC ZINC000187870789 369240931 /nfs/dbraw/zinc/24/09/31/369240931.db2.gz JXCIEGJQKHQGIH-BXUZGUMPSA-N 1 2 295.379 2.468 20 10 CECDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000188918375 369429391 /nfs/dbraw/zinc/42/93/91/369429391.db2.gz WZCVOAPYSPTTCA-ZDUSSCGKSA-N 1 2 296.798 2.392 20 10 CECDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000188918375 369429394 /nfs/dbraw/zinc/42/93/94/369429394.db2.gz WZCVOAPYSPTTCA-ZDUSSCGKSA-N 1 2 296.798 2.392 20 10 CECDLO CN1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000263722334 371947048 /nfs/dbraw/zinc/94/70/48/371947048.db2.gz KKPBKLOUFNMWJW-VIFPVBQESA-N 1 2 289.162 2.019 20 10 CECDLO C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400634 373755974 /nfs/dbraw/zinc/75/59/74/373755974.db2.gz MXGRHPVSZJUZHW-CMPLNLGQSA-N 1 2 279.340 2.045 20 10 CECDLO C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400634 373755978 /nfs/dbraw/zinc/75/59/78/373755978.db2.gz MXGRHPVSZJUZHW-CMPLNLGQSA-N 1 2 279.340 2.045 20 10 CECDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(Cl)c1O)CCO2 ZINC000279702514 374957750 /nfs/dbraw/zinc/95/77/50/374957750.db2.gz RITZWNCYFBFARK-IAQYHMDHSA-N 1 2 297.782 2.425 20 10 CECDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Cl)c1O)CCO2 ZINC000279702514 374957756 /nfs/dbraw/zinc/95/77/56/374957756.db2.gz RITZWNCYFBFARK-IAQYHMDHSA-N 1 2 297.782 2.425 20 10 CECDLO C[C@H](O)CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294743685 378017562 /nfs/dbraw/zinc/01/75/62/378017562.db2.gz QYLFCQZTRWFQBX-QMMMGPOBSA-N 1 2 261.724 2.435 20 10 CECDLO CCN(CC)c1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000194442622 395435553 /nfs/dbraw/zinc/43/55/53/395435553.db2.gz YXOMCAAQQQNTAZ-UHFFFAOYSA-N 1 2 298.452 2.009 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000194442622 395435558 /nfs/dbraw/zinc/43/55/58/395435558.db2.gz YXOMCAAQQQNTAZ-UHFFFAOYSA-N 1 2 298.452 2.009 20 10 CECDLO C[C@H](O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000035601757 172291152 /nfs/dbraw/zinc/29/11/52/172291152.db2.gz CCVJLHZVJCVBFG-LURJTMIESA-N 1 2 250.125 2.169 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000090906622 260263739 /nfs/dbraw/zinc/26/37/39/260263739.db2.gz MDHSSOJYOLDTPN-BETUJISGSA-N 1 2 279.311 2.097 20 10 CECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000280752753 263064096 /nfs/dbraw/zinc/06/40/96/263064096.db2.gz DWIUNGQDFSDODX-SECBINFHSA-N 1 2 271.744 2.347 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000280752753 263064097 /nfs/dbraw/zinc/06/40/97/263064097.db2.gz DWIUNGQDFSDODX-SECBINFHSA-N 1 2 271.744 2.347 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000370687150 267340210 /nfs/dbraw/zinc/34/02/10/267340210.db2.gz BLOYNWHAWDFCPD-NSHDSACASA-N 1 2 271.719 2.141 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000370687150 267340212 /nfs/dbraw/zinc/34/02/12/267340212.db2.gz BLOYNWHAWDFCPD-NSHDSACASA-N 1 2 271.719 2.141 20 10 CECDLO CC[C@H]([NH2+]Cc1cnnn1C)c1cccc(Cl)c1O ZINC000287178678 288051315 /nfs/dbraw/zinc/05/13/15/288051315.db2.gz CNQZKNFIYMZLNB-LBPRGKRZSA-N 1 2 280.759 2.415 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377701410 329025581 /nfs/dbraw/zinc/02/55/81/329025581.db2.gz PAYAPZAMFKAIPG-KGLIPLIRSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377701410 329025583 /nfs/dbraw/zinc/02/55/83/329025583.db2.gz PAYAPZAMFKAIPG-KGLIPLIRSA-N 1 2 297.782 2.425 20 10 CECDLO COC(=O)[C@H](C)[N@H+](C)Cc1c(O)cccc1Cl ZINC000280997354 523876342 /nfs/dbraw/zinc/87/63/42/523876342.db2.gz XKWYXVJNBNQTMG-QMMMGPOBSA-N 1 2 257.717 2.039 20 10 CECDLO COC(=O)[C@H](C)[N@@H+](C)Cc1c(O)cccc1Cl ZINC000280997354 523876347 /nfs/dbraw/zinc/87/63/47/523876347.db2.gz XKWYXVJNBNQTMG-QMMMGPOBSA-N 1 2 257.717 2.039 20 10 CECDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000274895484 523988207 /nfs/dbraw/zinc/98/82/07/523988207.db2.gz FSDKHJHPBZQUHO-ZWNOBZJWSA-N 1 2 281.327 2.305 20 10 CECDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(F)ccc1O ZINC000274895484 523988212 /nfs/dbraw/zinc/98/82/12/523988212.db2.gz FSDKHJHPBZQUHO-ZWNOBZJWSA-N 1 2 281.327 2.305 20 10 CECDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)c(O)cc1C ZINC000160409605 623281124 /nfs/dbraw/zinc/28/11/24/623281124.db2.gz QAXFWRMQFZCMHB-LBPRGKRZSA-N 1 2 295.379 2.481 20 10 CECDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c(O)cc1C ZINC000160409605 623281129 /nfs/dbraw/zinc/28/11/29/623281129.db2.gz QAXFWRMQFZCMHB-LBPRGKRZSA-N 1 2 295.379 2.481 20 10 CECDLO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[NH2+]1 ZINC000088058650 623966133 /nfs/dbraw/zinc/96/61/33/623966133.db2.gz KYANWGKAFGISSF-MRVPVSSYSA-N 1 2 275.179 2.493 20 10 CECDLO COCC1(C)C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000894980730 629781158 /nfs/dbraw/zinc/78/11/58/629781158.db2.gz YWFSFPAKOBQIPW-UHFFFAOYSA-N 1 2 257.280 2.139 20 10 CECDLO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000895388855 630159593 /nfs/dbraw/zinc/15/95/93/630159593.db2.gz AULMIHYRICBRHK-LLVKDONJSA-N 1 2 283.274 2.022 20 10 CECDLO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cccc(Cl)c1O ZINC000895747916 630323318 /nfs/dbraw/zinc/32/33/18/630323318.db2.gz JIYRVDLMPJOPAD-VXGBXAGGSA-N 1 2 285.771 2.065 20 10 CECDLO COc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)nc1 ZINC000895784663 630344125 /nfs/dbraw/zinc/34/41/25/630344125.db2.gz KUBPDWRSTAVPGM-UHFFFAOYSA-N 1 2 256.305 2.312 20 10 CECDLO COc1ccc(C[N@H+]2Cc3cccc(O)c3C2)nc1 ZINC000895784663 630344126 /nfs/dbraw/zinc/34/41/26/630344126.db2.gz KUBPDWRSTAVPGM-UHFFFAOYSA-N 1 2 256.305 2.312 20 10 CECDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000896959571 630837091 /nfs/dbraw/zinc/83/70/91/630837091.db2.gz BZPJNFRBVABWMY-LLVKDONJSA-N 1 2 283.755 2.431 20 10 CECDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000896959571 630837095 /nfs/dbraw/zinc/83/70/95/630837095.db2.gz BZPJNFRBVABWMY-LLVKDONJSA-N 1 2 283.755 2.431 20 10 CECDLO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cccc(Cl)c1O)C2 ZINC000897624067 631829368 /nfs/dbraw/zinc/82/93/68/631829368.db2.gz RNHBACSRYIOBDW-NHYWBVRUSA-N 1 2 294.782 2.133 20 10 CECDLO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000897624067 631829373 /nfs/dbraw/zinc/82/93/73/631829373.db2.gz RNHBACSRYIOBDW-NHYWBVRUSA-N 1 2 294.782 2.133 20 10 CECDLO CN(C)c1cc(F)c(C[NH2+]Cc2cn(C)cn2)cc1F ZINC000898042389 632033392 /nfs/dbraw/zinc/03/33/92/632033392.db2.gz OVJWNCBEELGAQD-UHFFFAOYSA-N 1 2 280.322 2.054 20 10 CECDLO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000898214568 632091141 /nfs/dbraw/zinc/09/11/41/632091141.db2.gz DTWPSHDNRBDMGH-DVVUODLYSA-N 1 2 283.755 2.333 20 10 CECDLO Nc1nc(NCCc2ccc(O)c(O)c2)[nH+]c2ccccc12 ZINC000811810795 632449386 /nfs/dbraw/zinc/44/93/86/632449386.db2.gz COTXCFZRGVGOGR-UHFFFAOYSA-N 1 2 296.330 2.278 20 10 CECDLO Cn1ncc(CCC[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC000816637746 633454058 /nfs/dbraw/zinc/45/40/58/633454058.db2.gz NDTXADMJSXHHFI-UHFFFAOYSA-N 1 2 298.749 2.036 20 10 CECDLO CON1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000817418312 633656281 /nfs/dbraw/zinc/65/62/81/633656281.db2.gz KGWZPMCMIMOXOZ-UHFFFAOYSA-N 1 2 288.750 2.300 20 10 CECDLO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1O ZINC000817949367 633795153 /nfs/dbraw/zinc/79/51/53/633795153.db2.gz JWHPXMIDSRLWTH-JQWIXIFHSA-N 1 2 252.333 2.324 20 10 CECDLO C[C@@H]([NH2+][C@H](CN)C1CC1)c1cc(Cl)ccc1O ZINC000817959427 633801898 /nfs/dbraw/zinc/80/18/98/633801898.db2.gz FWPAWXKWAIFRKX-PRHODGIISA-N 1 2 254.761 2.434 20 10 CECDLO C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817966319 633809287 /nfs/dbraw/zinc/80/92/87/633809287.db2.gz LIVYJOMIDLPOCU-HTQZYQBOSA-N 1 2 262.275 2.409 20 10 CECDLO CCOC(=O)C[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824556003 635449983 /nfs/dbraw/zinc/44/99/83/635449983.db2.gz KTZJWQXEOHIMHW-UHFFFAOYSA-N 1 2 271.744 2.349 20 10 CECDLO CCOC(=O)C[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824556003 635449986 /nfs/dbraw/zinc/44/99/86/635449986.db2.gz KTZJWQXEOHIMHW-UHFFFAOYSA-N 1 2 271.744 2.349 20 10 CECDLO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000825129688 635574334 /nfs/dbraw/zinc/57/43/34/635574334.db2.gz ATCAKFWQASLBTA-GXFFZTMASA-N 1 2 285.771 2.017 20 10 CECDLO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000825129688 635574338 /nfs/dbraw/zinc/57/43/38/635574338.db2.gz ATCAKFWQASLBTA-GXFFZTMASA-N 1 2 285.771 2.017 20 10 CECDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000825316040 635613771 /nfs/dbraw/zinc/61/37/71/635613771.db2.gz JHAADFNKKPCWMR-KCJUWKMLSA-N 1 2 273.735 2.387 20 10 CECDLO CCc1cccc(C[N@H+](C)Cc2nnc(C)o2)c1O ZINC000827039502 636196358 /nfs/dbraw/zinc/19/63/58/636196358.db2.gz WXSBEACEYOURFW-UHFFFAOYSA-N 1 2 261.325 2.278 20 10 CECDLO CCc1cccc(C[N@@H+](C)Cc2nnc(C)o2)c1O ZINC000827039502 636196362 /nfs/dbraw/zinc/19/63/62/636196362.db2.gz WXSBEACEYOURFW-UHFFFAOYSA-N 1 2 261.325 2.278 20 10 CECDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876510087 650296248 /nfs/dbraw/zinc/29/62/48/650296248.db2.gz OJHFEQDCFJASBK-LLVKDONJSA-N 1 2 299.317 2.446 20 10 CECDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876510087 650296249 /nfs/dbraw/zinc/29/62/49/650296249.db2.gz OJHFEQDCFJASBK-LLVKDONJSA-N 1 2 299.317 2.446 20 10 CECDLO Cc1cc(CNC(=O)Cc2ccc(N)cc2)cc(C)[nH+]1 ZINC000831739799 637422935 /nfs/dbraw/zinc/42/29/35/637422935.db2.gz CHZMWEOJYXJQFU-UHFFFAOYSA-N 1 2 269.348 2.140 20 10 CECDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000876765206 650424571 /nfs/dbraw/zinc/42/45/71/650424571.db2.gz VRTRKQNODMHPAC-JTQLQIEISA-N 1 2 285.290 2.198 20 10 CECDLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000876765206 650424573 /nfs/dbraw/zinc/42/45/73/650424573.db2.gz VRTRKQNODMHPAC-JTQLQIEISA-N 1 2 285.290 2.198 20 10 CECDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000841044623 639630965 /nfs/dbraw/zinc/63/09/65/639630965.db2.gz FSWWMIVXBYNODF-VIFPVBQESA-N 1 2 261.152 2.151 20 10 CECDLO [O-]c1c(Br)cccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841089113 639653569 /nfs/dbraw/zinc/65/35/69/639653569.db2.gz DROVTMHBAHRNTH-NSHDSACASA-N 1 2 299.212 2.386 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841893234 639901751 /nfs/dbraw/zinc/90/17/51/639901751.db2.gz BYPSNPSGLSHUMX-JTQLQIEISA-N 1 2 290.741 2.475 20 10 CECDLO CCOCc1nc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)no1 ZINC000877541099 650776824 /nfs/dbraw/zinc/77/68/24/650776824.db2.gz LJOPKRGXGMHEKP-LLVKDONJSA-N 1 2 291.351 2.471 20 10 CECDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](O)C(F)(F)F ZINC000877693646 650853873 /nfs/dbraw/zinc/85/38/73/650853873.db2.gz MRBRHINHQSCMRF-QUBYGPBYSA-N 1 2 283.677 2.447 20 10 CECDLO CCCNC(=O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756459478 644651305 /nfs/dbraw/zinc/65/13/05/644651305.db2.gz NQHRGLWBCHWEPV-VIFPVBQESA-N 1 2 286.322 2.237 20 10 CECDLO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1=O ZINC000756736545 644688210 /nfs/dbraw/zinc/68/82/10/644688210.db2.gz IFGVPYXYCHFSMH-ONGXEEELSA-N 1 2 298.333 2.330 20 10 CECDLO COc1cc2c(c(OC)c1)N(Cc1c[nH+]cn1C)CCC2 ZINC000839656775 644763791 /nfs/dbraw/zinc/76/37/91/644763791.db2.gz SFEOWPHIEPQZAM-UHFFFAOYSA-N 1 2 287.363 2.390 20 10 CECDLO CC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cccc(Cl)c1O ZINC000858494170 645180708 /nfs/dbraw/zinc/18/07/08/645180708.db2.gz FIIBALDYUBPKLV-AUTRQRHGSA-N 1 2 282.771 2.350 20 10 CECDLO CC[N@@H+]1C[C@H](C)N(C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000766251669 645863795 /nfs/dbraw/zinc/86/37/95/645863795.db2.gz XHBONJZCOXNXCB-UWVGGRQHSA-N 1 2 268.382 2.008 20 10 CECDLO CC[N@H+]1C[C@H](C)N(C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000766251669 645863799 /nfs/dbraw/zinc/86/37/99/645863799.db2.gz XHBONJZCOXNXCB-UWVGGRQHSA-N 1 2 268.382 2.008 20 10 CECDLO COc1ccc(N(C)CCCn2cc[nH+]c2)cc1OC ZINC000775948186 647010113 /nfs/dbraw/zinc/01/01/13/647010113.db2.gz HRIKVAAUAHEUEQ-UHFFFAOYSA-N 1 2 275.352 2.427 20 10 CECDLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000779190733 647295658 /nfs/dbraw/zinc/29/56/58/647295658.db2.gz GVRYDSKRUQBOKO-GHMZBOCLSA-N 1 2 273.735 2.434 20 10 CECDLO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000783603307 647736128 /nfs/dbraw/zinc/73/61/28/647736128.db2.gz YEQAVMHVYKIVMC-HTQZYQBOSA-N 1 2 261.724 2.434 20 10 CECDLO CCCOc1ccc(C[NH2+]Cc2cnn[nH]2)cc1C ZINC000873140638 649568088 /nfs/dbraw/zinc/56/80/88/649568088.db2.gz RTBSWCZQURQSCC-UHFFFAOYSA-N 1 2 260.341 2.192 20 10 CECDLO Oc1c(Cl)cccc1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873229663 649601351 /nfs/dbraw/zinc/60/13/51/649601351.db2.gz DJSZTBUOWGYTCR-TZMCWYRMSA-N 1 2 266.772 2.420 20 10 CECDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)c2ncnn21 ZINC000883165674 652385174 /nfs/dbraw/zinc/38/51/74/652385174.db2.gz JKMVINKPDROBHI-HQJQHLMTSA-N 1 2 280.278 2.058 20 10 CECDLO CCN(CC)C(=O)C[NH2+]Cc1cccc(Cl)c1O ZINC000135763440 652989838 /nfs/dbraw/zinc/98/98/38/652989838.db2.gz YNGUPIDITOGBLR-UHFFFAOYSA-N 1 2 270.760 2.004 20 10 CECDLO O=C1C[N@@H+](Cc2ccc(Cl)cc2O)CC2(CCCC2)N1 ZINC001140468654 802964018 /nfs/dbraw/zinc/96/40/18/802964018.db2.gz SRZVNNIMINAITD-UHFFFAOYSA-N 1 2 294.782 2.290 20 10 CECDLO O=C1C[N@H+](Cc2ccc(Cl)cc2O)CC2(CCCC2)N1 ZINC001140468654 802964025 /nfs/dbraw/zinc/96/40/25/802964025.db2.gz SRZVNNIMINAITD-UHFFFAOYSA-N 1 2 294.782 2.290 20 10 CECDLO Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001203558315 808726265 /nfs/dbraw/zinc/72/62/65/808726265.db2.gz DDAMJOMXEDGIPK-JBLDHEPKSA-N 1 2 273.254 2.296 20 10 CECDLO Oc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001203558315 808726271 /nfs/dbraw/zinc/72/62/71/808726271.db2.gz DDAMJOMXEDGIPK-JBLDHEPKSA-N 1 2 273.254 2.296 20 10 CECDLO Cc1cccc(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c1O ZINC000705019631 809765610 /nfs/dbraw/zinc/76/56/10/809765610.db2.gz ODABOJQOARSKCT-NSHDSACASA-N 1 2 275.270 2.464 20 10 CECDLO Cc1cccc(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c1O ZINC000705019631 809765613 /nfs/dbraw/zinc/76/56/13/809765613.db2.gz ODABOJQOARSKCT-NSHDSACASA-N 1 2 275.270 2.464 20 10 CECDLO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137837623 809781075 /nfs/dbraw/zinc/78/10/75/809781075.db2.gz NYPSEDPXZAKZPZ-CQSZACIVSA-N 1 2 294.370 2.412 20 10 CECDLO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137837623 809781078 /nfs/dbraw/zinc/78/10/78/809781078.db2.gz NYPSEDPXZAKZPZ-CQSZACIVSA-N 1 2 294.370 2.412 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCCCC12COC2 ZINC001137837781 809781930 /nfs/dbraw/zinc/78/19/30/809781930.db2.gz UTPZYTYNSGFNRK-UHFFFAOYSA-N 1 2 251.301 2.286 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCCCC12COC2 ZINC001137837781 809781934 /nfs/dbraw/zinc/78/19/34/809781934.db2.gz UTPZYTYNSGFNRK-UHFFFAOYSA-N 1 2 251.301 2.286 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCOCC12CCC2 ZINC001137839078 809809920 /nfs/dbraw/zinc/80/99/20/809809920.db2.gz QLKBOTZOVNLNHK-UHFFFAOYSA-N 1 2 251.301 2.286 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCOCC12CCC2 ZINC001137839078 809809923 /nfs/dbraw/zinc/80/99/23/809809923.db2.gz QLKBOTZOVNLNHK-UHFFFAOYSA-N 1 2 251.301 2.286 20 10 CECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCS1 ZINC001137840079 809857638 /nfs/dbraw/zinc/85/76/38/809857638.db2.gz RISXFOWVLWJFKD-ZDUSSCGKSA-N 1 2 299.367 2.012 20 10 CECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCS1 ZINC001137840079 809857642 /nfs/dbraw/zinc/85/76/42/809857642.db2.gz RISXFOWVLWJFKD-ZDUSSCGKSA-N 1 2 299.367 2.012 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000708381437 809928586 /nfs/dbraw/zinc/92/85/86/809928586.db2.gz AUVITDCDMHHUTB-AWEZNQCLSA-N 1 2 269.291 2.283 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000708381437 809928589 /nfs/dbraw/zinc/92/85/89/809928589.db2.gz AUVITDCDMHHUTB-AWEZNQCLSA-N 1 2 269.291 2.283 20 10 CECDLO CCC(CC)(CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708440970 809930863 /nfs/dbraw/zinc/93/08/63/809930863.db2.gz GGKNTBIBVYHPTP-UHFFFAOYSA-N 1 2 259.296 2.311 20 10 CECDLO COC(=O)C[N@H+](Cc1c(O)cccc1F)C1CCCC1 ZINC001137839249 815694457 /nfs/dbraw/zinc/69/44/57/815694457.db2.gz YIUPVJRVLXTZHG-UHFFFAOYSA-N 1 2 281.327 2.449 20 10 CECDLO COC(=O)C[N@@H+](Cc1c(O)cccc1F)C1CCCC1 ZINC001137839249 815694462 /nfs/dbraw/zinc/69/44/62/815694462.db2.gz YIUPVJRVLXTZHG-UHFFFAOYSA-N 1 2 281.327 2.449 20 10 CECDLO CCN1CC[N@H+](Cc2c(C)n(C)c3ccccc23)CC1=O ZINC001138257915 815755830 /nfs/dbraw/zinc/75/58/30/815755830.db2.gz CSFLZPYDQXNTJD-UHFFFAOYSA-N 1 2 285.391 2.151 20 10 CECDLO CCN1CC[N@@H+](Cc2c(C)n(C)c3ccccc23)CC1=O ZINC001138257915 815755831 /nfs/dbraw/zinc/75/58/31/815755831.db2.gz CSFLZPYDQXNTJD-UHFFFAOYSA-N 1 2 285.391 2.151 20 10 CECDLO CC(C)C[NH+]1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139681600 816079124 /nfs/dbraw/zinc/07/91/24/816079124.db2.gz UPJILNQUKKDWSZ-UHFFFAOYSA-N 1 2 284.350 2.444 20 10 CECDLO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@H]1C ZINC001140464180 816259577 /nfs/dbraw/zinc/25/95/77/816259577.db2.gz FLXGSFSQOIZVBR-SNVBAGLBSA-N 1 2 282.771 2.098 20 10 CECDLO CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1C ZINC001140464180 816259582 /nfs/dbraw/zinc/25/95/82/816259582.db2.gz FLXGSFSQOIZVBR-SNVBAGLBSA-N 1 2 282.771 2.098 20 10 CECDLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140583285 816290566 /nfs/dbraw/zinc/29/05/66/816290566.db2.gz CUYGHWGOFAGTGA-PSASIEDQSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140583285 816290568 /nfs/dbraw/zinc/29/05/68/816290568.db2.gz CUYGHWGOFAGTGA-PSASIEDQSA-N 1 2 257.280 2.016 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001140582226 816291624 /nfs/dbraw/zinc/29/16/24/816291624.db2.gz FERDCYFBJOKJSZ-CQSZACIVSA-N 1 2 269.291 2.425 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001140582226 816291630 /nfs/dbraw/zinc/29/16/30/816291630.db2.gz FERDCYFBJOKJSZ-CQSZACIVSA-N 1 2 269.291 2.425 20 10 CECDLO C[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@@]1(C)O ZINC001140582361 816291679 /nfs/dbraw/zinc/29/16/79/816291679.db2.gz HBWWBBJBUDHFDN-LKFCYVNXSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@@]1(C)O ZINC001140582361 816291685 /nfs/dbraw/zinc/29/16/85/816291685.db2.gz HBWWBBJBUDHFDN-LKFCYVNXSA-N 1 2 271.307 2.263 20 10 CECDLO COC(=O)CC[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583866 816292903 /nfs/dbraw/zinc/29/29/03/816292903.db2.gz WQSYCEIZHDBTCF-JTQLQIEISA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)CC[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583866 816292904 /nfs/dbraw/zinc/29/29/04/816292904.db2.gz WQSYCEIZHDBTCF-JTQLQIEISA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)C1(C)CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583511 816293244 /nfs/dbraw/zinc/29/32/44/816293244.db2.gz JEPSAOXKMTWMMS-UHFFFAOYSA-N 1 2 299.317 2.446 20 10 CECDLO CC(=O)C1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583583 816293916 /nfs/dbraw/zinc/29/39/16/816293916.db2.gz MHWLDDUJJWMMMS-UHFFFAOYSA-N 1 2 269.291 2.471 20 10 CECDLO Cc1c(O)ccc(C[N@H+](C)Cc2cscn2)c1O ZINC001140748829 816343997 /nfs/dbraw/zinc/34/39/97/816343997.db2.gz LCCHRIIIMQSFRE-UHFFFAOYSA-N 1 2 264.350 2.495 20 10 CECDLO Cc1c(O)ccc(C[N@@H+](C)Cc2cscn2)c1O ZINC001140748829 816343999 /nfs/dbraw/zinc/34/39/99/816343999.db2.gz LCCHRIIIMQSFRE-UHFFFAOYSA-N 1 2 264.350 2.495 20 10 CECDLO C[N@H+](Cc1ncco1)Cc1ccc(N2CCOCC2)cc1 ZINC001141008900 816441404 /nfs/dbraw/zinc/44/14/04/816441404.db2.gz PSLIYMLLUOGQML-UHFFFAOYSA-N 1 2 287.363 2.143 20 10 CECDLO C[N@@H+](Cc1ncco1)Cc1ccc(N2CCOCC2)cc1 ZINC001141008900 816441410 /nfs/dbraw/zinc/44/14/10/816441410.db2.gz PSLIYMLLUOGQML-UHFFFAOYSA-N 1 2 287.363 2.143 20 10 CECDLO OC[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCC1(F)F ZINC001142508567 816677840 /nfs/dbraw/zinc/67/78/40/816677840.db2.gz CZFRKVCKAZBHBF-SECBINFHSA-N 1 2 293.260 2.120 20 10 CECDLO OC[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCC1(F)F ZINC001142508567 816677843 /nfs/dbraw/zinc/67/78/43/816677843.db2.gz CZFRKVCKAZBHBF-SECBINFHSA-N 1 2 293.260 2.120 20 10 CECDLO Cn1ncnc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000176992506 368256258 /nfs/dbraw/zinc/25/62/58/368256258.db2.gz XLUKTUMCZJDCNW-UHFFFAOYSA-N 1 2 299.422 2.437 20 10 CECDLO Cn1ncnc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000176992506 368256261 /nfs/dbraw/zinc/25/62/61/368256261.db2.gz XLUKTUMCZJDCNW-UHFFFAOYSA-N 1 2 299.422 2.437 20 10 CECDLO CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180219679 368373517 /nfs/dbraw/zinc/37/35/17/368373517.db2.gz CFRKFZZMEGCYQO-NSHDSACASA-N 1 2 282.771 2.004 20 10 CECDLO CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180219679 368373519 /nfs/dbraw/zinc/37/35/19/368373519.db2.gz CFRKFZZMEGCYQO-NSHDSACASA-N 1 2 282.771 2.004 20 10 CECDLO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187707420 369206669 /nfs/dbraw/zinc/20/66/69/369206669.db2.gz BSOQFDXMXDRJKB-OQPBUACISA-N 1 2 259.296 2.482 20 10 CECDLO Cc1cc(O)c(C[N@H+](CCO)CC(F)F)cc1C ZINC000193028034 369883758 /nfs/dbraw/zinc/88/37/58/369883758.db2.gz NAANANXBXGXYKD-UHFFFAOYSA-N 1 2 259.296 2.068 20 10 CECDLO Cc1cc(O)c(C[N@@H+](CCO)CC(F)F)cc1C ZINC000193028034 369883761 /nfs/dbraw/zinc/88/37/61/369883761.db2.gz NAANANXBXGXYKD-UHFFFAOYSA-N 1 2 259.296 2.068 20 10 CECDLO COc1ccc(CNc2cccc(-n3cc[nH+]c3)n2)c(O)c1 ZINC000366503645 373073492 /nfs/dbraw/zinc/07/34/92/373073492.db2.gz FKSWTEFVOCNMFA-UHFFFAOYSA-N 1 2 296.330 2.016 20 10 CECDLO CC[N@H+](C[C@@H]1CCNC(=O)CC1)c1ccc(OC)cc1 ZINC000295635281 378245531 /nfs/dbraw/zinc/24/55/31/378245531.db2.gz CQCUDAVSYWZCRN-ZDUSSCGKSA-N 1 2 276.380 2.438 20 10 CECDLO CC[N@@H+](C[C@@H]1CCNC(=O)CC1)c1ccc(OC)cc1 ZINC000295635281 378245536 /nfs/dbraw/zinc/24/55/36/378245536.db2.gz CQCUDAVSYWZCRN-ZDUSSCGKSA-N 1 2 276.380 2.438 20 10 CECDLO CCN(C)c1ccc([C@@H](C)[NH2+]CC(F)(F)CO)cc1 ZINC000184693568 262025817 /nfs/dbraw/zinc/02/58/17/262025817.db2.gz OAHSBNADKUJCNH-LLVKDONJSA-N 1 2 272.339 2.421 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373270483 395057900 /nfs/dbraw/zinc/05/79/00/395057900.db2.gz KZAWGORHWCGYJJ-CQSZACIVSA-N 1 2 267.756 2.392 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373270483 395057902 /nfs/dbraw/zinc/05/79/02/395057902.db2.gz KZAWGORHWCGYJJ-CQSZACIVSA-N 1 2 267.756 2.392 20 10 CECDLO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187913481 395308112 /nfs/dbraw/zinc/30/81/12/395308112.db2.gz GUHHQVJEYKRRLL-PUERIAAYSA-N 1 2 277.336 2.088 20 10 CECDLO Nc1ccc(NC(=O)C[N@@H+]2CCc3sccc3C2)cc1 ZINC000022155221 171361620 /nfs/dbraw/zinc/36/16/20/171361620.db2.gz SEDAQFWDWSARHA-UHFFFAOYSA-N 1 2 287.388 2.327 20 10 CECDLO Nc1ccc(NC(=O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000022155221 171361621 /nfs/dbraw/zinc/36/16/21/171361621.db2.gz SEDAQFWDWSARHA-UHFFFAOYSA-N 1 2 287.388 2.327 20 10 CECDLO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187707403 287395228 /nfs/dbraw/zinc/39/52/28/287395228.db2.gz BSOQFDXMXDRJKB-ISVAXAHUSA-N 1 2 259.296 2.482 20 10 CECDLO C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000154403558 261091268 /nfs/dbraw/zinc/09/12/68/261091268.db2.gz LNMZQBZRKSLUEU-UHFFFAOYSA-N 1 2 275.179 2.446 20 10 CECDLO Cc1[nH]ncc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155199357 261099342 /nfs/dbraw/zinc/09/93/42/261099342.db2.gz RCLPSAHMKKNFRB-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO Cc1[nH]ncc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155199357 261099343 /nfs/dbraw/zinc/09/93/43/261099343.db2.gz RCLPSAHMKKNFRB-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO CCCn1c(C)nnc1C[N@H+](C)Cc1ccccc1O ZINC000163003508 261302661 /nfs/dbraw/zinc/30/26/61/261302661.db2.gz SKPARWOPNKKRGZ-UHFFFAOYSA-N 1 2 274.368 2.334 20 10 CECDLO CCCn1c(C)nnc1C[N@@H+](C)Cc1ccccc1O ZINC000163003508 261302663 /nfs/dbraw/zinc/30/26/63/261302663.db2.gz SKPARWOPNKKRGZ-UHFFFAOYSA-N 1 2 274.368 2.334 20 10 CECDLO Cc1nc(N[C@@H](C)Cc2ccc(O)c(O)c2)cc[nH+]1 ZINC000184146991 262010926 /nfs/dbraw/zinc/01/09/26/262010926.db2.gz HTJATJHIRQPMEN-VIFPVBQESA-N 1 2 259.309 2.239 20 10 CECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000184500514 262021220 /nfs/dbraw/zinc/02/12/20/262021220.db2.gz LMVBMBMJBQKUCB-GFCCVEGCSA-N 1 2 292.291 2.107 20 10 CECDLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000493591916 262199421 /nfs/dbraw/zinc/19/94/21/262199421.db2.gz QUXYEVZQKBZQSX-ZADCQDASSA-N 1 2 269.304 2.237 20 10 CECDLO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(F)c(F)c1O ZINC000277001781 263039019 /nfs/dbraw/zinc/03/90/19/263039019.db2.gz ZHYXHIVFHXKJBE-QMMMGPOBSA-N 1 2 294.305 2.059 20 10 CECDLO CC[C@H]([NH2+][C@@H](CO)CCOC)c1cccc(Cl)c1O ZINC000287055936 288063993 /nfs/dbraw/zinc/06/39/93/288063993.db2.gz NENGKEULSVCQFM-MFKMUULPSA-N 1 2 287.787 2.484 20 10 CECDLO CN1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1=O ZINC000263722332 327517871 /nfs/dbraw/zinc/51/78/71/327517871.db2.gz KKPBKLOUFNMWJW-SECBINFHSA-N 1 2 289.162 2.019 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CO)C2)c1O ZINC000050132057 518280087 /nfs/dbraw/zinc/28/00/87/518280087.db2.gz JSYNLUSTSCKCJR-LLVKDONJSA-N 1 2 297.782 2.453 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CO)C2)c1O ZINC000050132057 518280079 /nfs/dbraw/zinc/28/00/79/518280079.db2.gz JSYNLUSTSCKCJR-LLVKDONJSA-N 1 2 297.782 2.453 20 10 CECDLO CC(C)(O)C1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000297535381 519339718 /nfs/dbraw/zinc/33/97/18/519339718.db2.gz ZPPNHERXSQBBSN-UHFFFAOYSA-N 1 2 255.745 2.248 20 10 CECDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1OC ZINC000274934354 520371957 /nfs/dbraw/zinc/37/19/57/520371957.db2.gz PCDRQVPXHKPIER-YRGRVCCFSA-N 1 2 285.771 2.328 20 10 CECDLO CC1(C)C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC000280379345 520482126 /nfs/dbraw/zinc/48/21/26/520482126.db2.gz FFGFTUMHNLVSEJ-LLVKDONJSA-N 1 2 255.745 2.248 20 10 CECDLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1O ZINC000280379345 520482132 /nfs/dbraw/zinc/48/21/32/520482132.db2.gz FFGFTUMHNLVSEJ-LLVKDONJSA-N 1 2 255.745 2.248 20 10 CECDLO CCOc1ccc([N@H+](CC)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000279914068 521027908 /nfs/dbraw/zinc/02/79/08/521027908.db2.gz FLWIVNCVHQAVBM-CYBMUJFWSA-N 1 2 297.420 2.346 20 10 CECDLO CCOc1ccc([N@@H+](CC)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000279914068 521027917 /nfs/dbraw/zinc/02/79/17/521027917.db2.gz FLWIVNCVHQAVBM-CYBMUJFWSA-N 1 2 297.420 2.346 20 10 CECDLO CCOc1cccc(C[NH2+][C@H](CC(C)C)C(=O)OC)c1O ZINC000036980916 521376560 /nfs/dbraw/zinc/37/65/60/521376560.db2.gz NTJULCKFPVFIPI-CYBMUJFWSA-N 1 2 295.379 2.468 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](O)C1 ZINC000128161552 526324522 /nfs/dbraw/zinc/32/45/22/526324522.db2.gz SDHOORRBDVREIC-VIFPVBQESA-N 1 2 262.136 2.266 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000128161552 526324527 /nfs/dbraw/zinc/32/45/27/526324527.db2.gz SDHOORRBDVREIC-VIFPVBQESA-N 1 2 262.136 2.266 20 10 CECDLO Oc1ccccc1CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277351576 526373935 /nfs/dbraw/zinc/37/39/35/526373935.db2.gz GJVSHAGXSSZIMT-UHFFFAOYSA-N 1 2 270.336 2.395 20 10 CECDLO Oc1ccccc1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277351576 526373942 /nfs/dbraw/zinc/37/39/42/526373942.db2.gz GJVSHAGXSSZIMT-UHFFFAOYSA-N 1 2 270.336 2.395 20 10 CECDLO O=C(CCc1[nH]cc[nH+]1)NCc1c(O)ccc2c1CCCC2 ZINC000280726921 526659883 /nfs/dbraw/zinc/65/98/83/526659883.db2.gz HWEWTFDBXKQCSD-UHFFFAOYSA-N 1 2 299.374 2.243 20 10 CECDLO C[C@H]([NH2+]CCc1ccnn1C)c1cc(F)cc(F)c1O ZINC000762778804 574528151 /nfs/dbraw/zinc/52/81/51/574528151.db2.gz PYOYZYGXPGYPGQ-VIFPVBQESA-N 1 2 281.306 2.297 20 10 CECDLO Cc1cc(N(C)C)ccc1CNc1[nH+]cnc2c1cnn2C ZINC000734483136 574715297 /nfs/dbraw/zinc/71/52/97/574715297.db2.gz MIHKOJHHOZDQIE-UHFFFAOYSA-N 1 2 296.378 2.350 20 10 CECDLO CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1cccc(Cl)c1O ZINC000806135429 623107512 /nfs/dbraw/zinc/10/75/12/623107512.db2.gz JUOPRHZHKAMQSO-NEPJUHHUSA-N 1 2 282.771 2.365 20 10 CECDLO COc1ccc(C[NH2+]CC(C)(F)F)c(O)c1OC ZINC000894623542 629562602 /nfs/dbraw/zinc/56/26/02/629562602.db2.gz GCKGIZTWALYOHK-UHFFFAOYSA-N 1 2 261.268 2.154 20 10 CECDLO CC1=NO[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000895306201 630092036 /nfs/dbraw/zinc/09/20/36/630092036.db2.gz AVGIYVIQRPPAHY-SNVBAGLBSA-N 1 2 254.717 2.300 20 10 CECDLO CC1=NO[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000895306933 630093796 /nfs/dbraw/zinc/09/37/96/630093796.db2.gz LDPQULFQBNAARS-JTQLQIEISA-N 1 2 272.707 2.439 20 10 CECDLO OC[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895407122 630171422 /nfs/dbraw/zinc/17/14/22/630171422.db2.gz ZQVDSWMTEQOIEG-XHDPSFHLSA-N 1 2 283.318 2.265 20 10 CECDLO OC[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895407122 630171429 /nfs/dbraw/zinc/17/14/29/630171429.db2.gz ZQVDSWMTEQOIEG-XHDPSFHLSA-N 1 2 283.318 2.265 20 10 CECDLO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cccc(Cl)c1O ZINC000895747915 630323428 /nfs/dbraw/zinc/32/34/28/630323428.db2.gz JIYRVDLMPJOPAD-RYUDHWBXSA-N 1 2 285.771 2.065 20 10 CECDLO Cc1cc(O)c(C[NH+]2CC(OC(F)F)C2)cc1C ZINC000797821111 630761616 /nfs/dbraw/zinc/76/16/16/630761616.db2.gz DBDWNAOCKPSYPN-UHFFFAOYSA-N 1 2 257.280 2.432 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726283 635485779 /nfs/dbraw/zinc/48/57/79/635485779.db2.gz KLTZETNTESIQED-GFCCVEGCSA-N 1 2 295.688 2.387 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726283 635485783 /nfs/dbraw/zinc/48/57/83/635485783.db2.gz KLTZETNTESIQED-GFCCVEGCSA-N 1 2 295.688 2.387 20 10 CECDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](C)O ZINC000824920866 635525119 /nfs/dbraw/zinc/52/51/19/635525119.db2.gz ADRZYUWHBNIKJF-HQJQHLMTSA-N 1 2 261.724 2.434 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000809739596 632135339 /nfs/dbraw/zinc/13/53/39/632135339.db2.gz PCKVETCTYDDRMK-NSHDSACASA-N 1 2 259.708 2.045 20 10 CECDLO CC(C)OC[C@H](CO)[N@H+](C)Cc1cccc(Cl)c1O ZINC000809768728 632143816 /nfs/dbraw/zinc/14/38/16/632143816.db2.gz VIZICQVTKKPPPM-LBPRGKRZSA-N 1 2 287.787 2.263 20 10 CECDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000809768728 632143817 /nfs/dbraw/zinc/14/38/17/632143817.db2.gz VIZICQVTKKPPPM-LBPRGKRZSA-N 1 2 287.787 2.263 20 10 CECDLO Cn1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000816559405 633413140 /nfs/dbraw/zinc/41/31/40/633413140.db2.gz JIDJOWJHJWXXAR-UHFFFAOYSA-N 1 2 269.707 2.208 20 10 CECDLO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000817411570 633650518 /nfs/dbraw/zinc/65/05/18/633650518.db2.gz UZBCJLMBHCTPBD-XYPYZODXSA-N 1 2 296.798 2.427 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817950028 633794812 /nfs/dbraw/zinc/79/48/12/633794812.db2.gz QHEMOVVKBSBLIT-QWRGUYRKSA-N 1 2 279.340 2.093 20 10 CECDLO CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817959608 633801818 /nfs/dbraw/zinc/80/18/18/633801818.db2.gz DIXCFWLTUAJYIB-OLZOCXBDSA-N 1 2 252.333 2.309 20 10 CECDLO COc1nn(C)cc1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000903346732 635074352 /nfs/dbraw/zinc/07/43/52/635074352.db2.gz WCNRUFRXNJMIRJ-VIFPVBQESA-N 1 2 279.315 2.124 20 10 CECDLO CC(=O)N1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824484270 635435347 /nfs/dbraw/zinc/43/53/47/635435347.db2.gz ANIAONWCBQZLGK-UHFFFAOYSA-N 1 2 282.771 2.018 20 10 CECDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1(CO)CC1 ZINC000826991266 636176969 /nfs/dbraw/zinc/17/69/69/636176969.db2.gz XTPVRRDNZFZNKF-QMMMGPOBSA-N 1 2 273.735 2.435 20 10 CECDLO Cc1cc(O)c(C[N@@H+](C)Cc2cn(C)nn2)cc1Cl ZINC000827305765 636287256 /nfs/dbraw/zinc/28/72/56/636287256.db2.gz ZHUXTGLOPRYCOE-UHFFFAOYSA-N 1 2 280.759 2.115 20 10 CECDLO Cc1cc(O)c(C[N@H+](C)Cc2cn(C)nn2)cc1Cl ZINC000827305765 636287261 /nfs/dbraw/zinc/28/72/61/636287261.db2.gz ZHUXTGLOPRYCOE-UHFFFAOYSA-N 1 2 280.759 2.115 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@]1(C)CO ZINC000827699849 636397862 /nfs/dbraw/zinc/39/78/62/636397862.db2.gz MYSLQCFPNLNUAT-YGRLFVJLSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]1(C)CO ZINC000827699849 636397870 /nfs/dbraw/zinc/39/78/70/636397870.db2.gz MYSLQCFPNLNUAT-YGRLFVJLSA-N 1 2 269.772 2.496 20 10 CECDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)c(O)c1 ZINC000876651876 650377375 /nfs/dbraw/zinc/37/73/75/650377375.db2.gz IGOISYRCPKXNEX-KRWDZBQOSA-N 1 2 296.370 2.374 20 10 CECDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)c(O)c1 ZINC000876651876 650377378 /nfs/dbraw/zinc/37/73/78/650377378.db2.gz IGOISYRCPKXNEX-KRWDZBQOSA-N 1 2 296.370 2.374 20 10 CECDLO CC[C@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911660663 638341290 /nfs/dbraw/zinc/34/12/90/638341290.db2.gz MODSIXCEWUJTQW-LSDHHAIUSA-N 1 2 291.395 2.097 20 10 CECDLO CC[C@H](C(=O)Nc1ccc(N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911660663 638341303 /nfs/dbraw/zinc/34/13/03/638341303.db2.gz MODSIXCEWUJTQW-LSDHHAIUSA-N 1 2 291.395 2.097 20 10 CECDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2c(C)cccc2O)n1 ZINC000876795515 650435983 /nfs/dbraw/zinc/43/59/83/650435983.db2.gz PTNBFNSNTICQAQ-NSHDSACASA-N 1 2 291.351 2.423 20 10 CECDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2c(C)cccc2O)n1 ZINC000876795515 650435985 /nfs/dbraw/zinc/43/59/85/650435985.db2.gz PTNBFNSNTICQAQ-NSHDSACASA-N 1 2 291.351 2.423 20 10 CECDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1c(C)cccc1O ZINC000876810689 650441753 /nfs/dbraw/zinc/44/17/53/650441753.db2.gz BYTOMLHQTXHIAJ-CQSZACIVSA-N 1 2 295.379 2.099 20 10 CECDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1c(C)cccc1O ZINC000876810689 650441756 /nfs/dbraw/zinc/44/17/56/650441756.db2.gz BYTOMLHQTXHIAJ-CQSZACIVSA-N 1 2 295.379 2.099 20 10 CECDLO CN1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000224570441 639455034 /nfs/dbraw/zinc/45/50/34/639455034.db2.gz MJWVCCBGHYJFBQ-NSHDSACASA-N 1 2 254.761 2.229 20 10 CECDLO C[C@H](O)CCC[NH2+]Cc1cccc(Br)c1O ZINC000227958399 639610375 /nfs/dbraw/zinc/61/03/75/639610375.db2.gz OCDFVZVZWCJQNV-VIFPVBQESA-N 1 2 288.185 2.405 20 10 CECDLO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(F)cc(F)c1O ZINC000841760684 639859690 /nfs/dbraw/zinc/85/96/90/639859690.db2.gz XWIDFNQFFVVEPU-DXVIDONBSA-N 1 2 257.280 2.234 20 10 CECDLO CCOC(=O)[C@@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399762 640708548 /nfs/dbraw/zinc/70/85/48/640708548.db2.gz OCSQCFLAXDFFDM-CYBMUJFWSA-N 1 2 294.395 2.015 20 10 CECDLO CCOC(=O)[C@@H](C)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399762 640708550 /nfs/dbraw/zinc/70/85/50/640708550.db2.gz OCSQCFLAXDFFDM-CYBMUJFWSA-N 1 2 294.395 2.015 20 10 CECDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877407469 650710013 /nfs/dbraw/zinc/71/00/13/650710013.db2.gz RHHIUNXDXKYXAW-VHSXEESVSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877407469 650710016 /nfs/dbraw/zinc/71/00/16/650710016.db2.gz RHHIUNXDXKYXAW-VHSXEESVSA-N 1 2 270.323 2.195 20 10 CECDLO O=C1O[C@H](C[NH2+]Cc2cccc(Cl)c2O)CN1C1CC1 ZINC000848928142 642197427 /nfs/dbraw/zinc/19/74/27/642197427.db2.gz ADUQBQVLVGDOCH-LLVKDONJSA-N 1 2 296.754 2.118 20 10 CECDLO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ncnn21 ZINC000850351936 642677889 /nfs/dbraw/zinc/67/78/89/642677889.db2.gz KBILEQHKKGGHNQ-GWCFXTLKSA-N 1 2 289.358 2.279 20 10 CECDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](O)C(F)(F)F ZINC000877693647 650853959 /nfs/dbraw/zinc/85/39/59/650853959.db2.gz MRBRHINHQSCMRF-WKEGUHRASA-N 1 2 283.677 2.447 20 10 CECDLO C[C@@H]([NH2+]CCn1ccnc1)c1cc(F)cc(F)c1O ZINC000756371625 644637255 /nfs/dbraw/zinc/63/72/55/644637255.db2.gz MDKZOSJXZGITFM-SECBINFHSA-N 1 2 267.279 2.218 20 10 CECDLO C[C@H]([NH2+]CCn1cccn1)c1cc(F)cc(F)c1O ZINC000756685550 644683285 /nfs/dbraw/zinc/68/32/85/644683285.db2.gz NELKFSLJCXLCRH-VIFPVBQESA-N 1 2 267.279 2.218 20 10 CECDLO C[C@@H]([NH2+][C@H](CCO)C1CC1)c1cc(F)cc(F)c1O ZINC000756739383 644688078 /nfs/dbraw/zinc/68/80/78/644688078.db2.gz MUAOXPLCMGQPJT-AMIZOPFISA-N 1 2 271.307 2.482 20 10 CECDLO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cc(F)cc(F)c1O ZINC000756768348 644690244 /nfs/dbraw/zinc/69/02/44/644690244.db2.gz CZSJFVBBQRGMGH-KCJUWKMLSA-N 1 2 271.307 2.482 20 10 CECDLO CC[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cccc(Cl)c1O ZINC000858602236 645217782 /nfs/dbraw/zinc/21/77/82/645217782.db2.gz UNHMCWKLSXZDRE-SMDDNHRTSA-N 1 2 298.814 2.153 20 10 CECDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1cccc(C)c1O ZINC000775648721 646975865 /nfs/dbraw/zinc/97/58/65/646975865.db2.gz WLLLXYWHNPRXOD-CYBMUJFWSA-N 1 2 295.404 2.181 20 10 CECDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1cccc(C)c1O ZINC000775648721 646975868 /nfs/dbraw/zinc/97/58/68/646975868.db2.gz WLLLXYWHNPRXOD-CYBMUJFWSA-N 1 2 295.404 2.181 20 10 CECDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cccc(F)c1O ZINC000775983267 647013468 /nfs/dbraw/zinc/01/34/68/647013468.db2.gz BZEZUVMFZCQNKK-GHMZBOCLSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cccc(F)c1O ZINC000775983267 647013473 /nfs/dbraw/zinc/01/34/73/647013473.db2.gz BZEZUVMFZCQNKK-GHMZBOCLSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1[C@@H](C)[N@H+](Cc2cccc(F)c2O)CCN1C ZINC000775983267 647013476 /nfs/dbraw/zinc/01/34/76/647013476.db2.gz BZEZUVMFZCQNKK-GHMZBOCLSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(F)c2O)CCN1C ZINC000775983267 647013481 /nfs/dbraw/zinc/01/34/81/647013481.db2.gz BZEZUVMFZCQNKK-GHMZBOCLSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@H]([NH2+]CC1(CCO)CC1)c1cc(F)cc(F)c1O ZINC000779086074 647286290 /nfs/dbraw/zinc/28/62/90/647286290.db2.gz ULTNRAPGVVKLFK-VIFPVBQESA-N 1 2 271.307 2.484 20 10 CECDLO CNC(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(C)C ZINC000787325164 648098567 /nfs/dbraw/zinc/09/85/67/648098567.db2.gz XLDBWHRPLWRRAY-NSHDSACASA-N 1 2 288.750 2.045 20 10 CECDLO CCOc1ccc(O)c(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)c1 ZINC000792192393 648622385 /nfs/dbraw/zinc/62/23/85/648622385.db2.gz NSNZZGXENNLVQK-VXGBXAGGSA-N 1 2 297.420 2.132 20 10 CECDLO CN(C)c1nc(C[NH2+]Cc2cc(F)cc(F)c2O)cs1 ZINC000883027969 652332488 /nfs/dbraw/zinc/33/24/88/652332488.db2.gz WBKDUCVHYFZSEV-UHFFFAOYSA-N 1 2 299.346 2.483 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000883131672 652372485 /nfs/dbraw/zinc/37/24/85/652372485.db2.gz MPPBRWTWXYPKJI-LLVKDONJSA-N 1 2 265.263 2.102 20 10 CECDLO Oc1cc(Cl)ccc1C[N@@H+]1CCc2ncncc2C1 ZINC001140466188 802957903 /nfs/dbraw/zinc/95/79/03/802957903.db2.gz AOEFCKJKOUOIFZ-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO Oc1cc(Cl)ccc1C[N@H+]1CCc2ncncc2C1 ZINC001140466188 802957905 /nfs/dbraw/zinc/95/79/05/802957905.db2.gz AOEFCKJKOUOIFZ-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140583964 803183000 /nfs/dbraw/zinc/18/30/00/803183000.db2.gz ZVHBJPRVTPKOKL-JTQLQIEISA-N 1 2 285.290 2.198 20 10 CECDLO COC(=O)C[C@@H]1CCC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140583964 803183007 /nfs/dbraw/zinc/18/30/07/803183007.db2.gz ZVHBJPRVTPKOKL-JTQLQIEISA-N 1 2 285.290 2.198 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3cc(C)n[nH]3)CC2)cc1 ZINC000196387361 803753387 /nfs/dbraw/zinc/75/33/87/803753387.db2.gz KBXDXBUIBUDICE-UHFFFAOYSA-N 1 2 286.379 2.049 20 10 CECDLO COC(=O)[C@@H]([NH2+]Cc1ccccc1O)C(C)(C)C ZINC000136868613 804450345 /nfs/dbraw/zinc/45/03/45/804450345.db2.gz ZQQGSKXYYJWDPA-GFCCVEGCSA-N 1 2 251.326 2.070 20 10 CECDLO C[C@@H]1CNC(=O)C[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143112123 809020793 /nfs/dbraw/zinc/02/07/93/809020793.db2.gz LNHCDDPNNOQFLH-LLVKDONJSA-N 1 2 276.380 2.010 20 10 CECDLO C[C@@H]1CNC(=O)C[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143112123 809020799 /nfs/dbraw/zinc/02/07/99/809020799.db2.gz LNHCDDPNNOQFLH-LLVKDONJSA-N 1 2 276.380 2.010 20 10 CECDLO [O-]c1c(F)c(F)ccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000703417735 809648963 /nfs/dbraw/zinc/64/89/63/809648963.db2.gz PAWJKRGBEFMZIB-UHFFFAOYSA-N 1 2 267.279 2.047 20 10 CECDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@H]1CCCO1 ZINC000703586852 809666981 /nfs/dbraw/zinc/66/69/81/809666981.db2.gz STYOEOFXHJMZAW-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO C[N@H+](Cc1ccc(F)c(F)c1O)C[C@H]1CCCO1 ZINC000703586852 809666986 /nfs/dbraw/zinc/66/69/86/809666986.db2.gz STYOEOFXHJMZAW-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2O)CCCO1 ZINC000703592379 809667649 /nfs/dbraw/zinc/66/76/49/809667649.db2.gz IDJVZYLKMLCJGU-VIFPVBQESA-N 1 2 257.280 2.281 20 10 CECDLO C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2O)CCCO1 ZINC000703592379 809667654 /nfs/dbraw/zinc/66/76/54/809667654.db2.gz IDJVZYLKMLCJGU-VIFPVBQESA-N 1 2 257.280 2.281 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+]CCN1CCCCC1 ZINC000708505585 809943634 /nfs/dbraw/zinc/94/36/34/809943634.db2.gz XOUUHDLCBJNLDH-UHFFFAOYSA-N 1 2 270.323 2.246 20 10 CECDLO C[NH+](C)C[C@@H]1CCCN1Cc1c(F)ccc(F)c1O ZINC001139682764 814727021 /nfs/dbraw/zinc/72/70/21/814727021.db2.gz BVZDRLQKYLWKBG-JTQLQIEISA-N 1 2 270.323 2.196 20 10 CECDLO Oc1cccc(F)c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC001137831495 815691467 /nfs/dbraw/zinc/69/14/67/815691467.db2.gz BTBGIYBWABTMSP-UHFFFAOYSA-N 1 2 293.260 2.421 20 10 CECDLO CC(C)(C)C(=O)N1CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137839599 815695304 /nfs/dbraw/zinc/69/53/04/815695304.db2.gz FGPXBSMQOGWSAC-UHFFFAOYSA-N 1 2 294.370 2.222 20 10 CECDLO Cc1cc(C[N@H+](C)Cc2cccc(F)c2O)n(C)n1 ZINC001138127635 815735032 /nfs/dbraw/zinc/73/50/32/815735032.db2.gz JDKSEVLIIPPCER-UHFFFAOYSA-N 1 2 263.316 2.205 20 10 CECDLO Cc1cc(C[N@@H+](C)Cc2cccc(F)c2O)n(C)n1 ZINC001138127635 815735035 /nfs/dbraw/zinc/73/50/35/815735035.db2.gz JDKSEVLIIPPCER-UHFFFAOYSA-N 1 2 263.316 2.205 20 10 CECDLO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1C ZINC001140464179 816260120 /nfs/dbraw/zinc/26/01/20/816260120.db2.gz FLXGSFSQOIZVBR-JTQLQIEISA-N 1 2 282.771 2.098 20 10 CECDLO CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1C ZINC001140464179 816260123 /nfs/dbraw/zinc/26/01/23/816260123.db2.gz FLXGSFSQOIZVBR-JTQLQIEISA-N 1 2 282.771 2.098 20 10 CECDLO CCN(CC[NH+](C)C)Cc1c(O)cc(F)cc1F ZINC001140580341 816289709 /nfs/dbraw/zinc/28/97/09/816289709.db2.gz YMLIZXHBIQDNGX-UHFFFAOYSA-N 1 2 258.312 2.054 20 10 CECDLO CO[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140579982 816289244 /nfs/dbraw/zinc/28/92/44/816289244.db2.gz NCUIAKBODYFJKR-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO CC[N@H+](CCCC(=O)OC)Cc1c(O)cc(F)cc1F ZINC001140582429 816291129 /nfs/dbraw/zinc/29/11/29/816291129.db2.gz IXXBLRFXRIADSU-UHFFFAOYSA-N 1 2 287.306 2.446 20 10 CECDLO CC[N@@H+](CCCC(=O)OC)Cc1c(O)cc(F)cc1F ZINC001140582429 816291136 /nfs/dbraw/zinc/29/11/36/816291136.db2.gz IXXBLRFXRIADSU-UHFFFAOYSA-N 1 2 287.306 2.446 20 10 CECDLO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585460 816295297 /nfs/dbraw/zinc/29/52/97/816295297.db2.gz JGPLTGMHSACRFE-CQSZACIVSA-N 1 2 285.290 2.055 20 10 CECDLO COC(=O)[C@]1(C)CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585460 816295300 /nfs/dbraw/zinc/29/53/00/816295300.db2.gz JGPLTGMHSACRFE-CQSZACIVSA-N 1 2 285.290 2.055 20 10 CECDLO CC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CCO1 ZINC000037323499 361903505 /nfs/dbraw/zinc/90/35/05/361903505.db2.gz QAFYVDCFSZNTKI-ZDUSSCGKSA-N 1 2 281.327 2.345 20 10 CECDLO CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CCO1 ZINC000037323499 361903510 /nfs/dbraw/zinc/90/35/10/361903510.db2.gz QAFYVDCFSZNTKI-ZDUSSCGKSA-N 1 2 281.327 2.345 20 10 CECDLO COCC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1O ZINC000093005883 344211578 /nfs/dbraw/zinc/21/15/78/344211578.db2.gz LSIJMSSMPUZBDA-UHFFFAOYSA-N 1 2 294.178 2.140 20 10 CECDLO COCC[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1O ZINC000093005883 344211580 /nfs/dbraw/zinc/21/15/80/344211580.db2.gz LSIJMSSMPUZBDA-UHFFFAOYSA-N 1 2 294.178 2.140 20 10 CECDLO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191215172 295901108 /nfs/dbraw/zinc/90/11/08/295901108.db2.gz QDYJKTWPJSHELR-UWVGGRQHSA-N 1 2 298.333 2.332 20 10 CECDLO Cn1cc(C[N@H+](C)Cc2cccc(Cl)c2O)cn1 ZINC000179601845 368344533 /nfs/dbraw/zinc/34/45/33/368344533.db2.gz GDXLKPKKXJSXGG-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO Cn1cc(C[N@@H+](C)Cc2cccc(Cl)c2O)cn1 ZINC000179601845 368344536 /nfs/dbraw/zinc/34/45/36/368344536.db2.gz GDXLKPKKXJSXGG-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO C[C@]1(O)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180377807 368378772 /nfs/dbraw/zinc/37/87/72/368378772.db2.gz BPLXGSMLMWUMDY-ZDUSSCGKSA-N 1 2 255.745 2.392 20 10 CECDLO C[C@]1(O)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180377807 368378777 /nfs/dbraw/zinc/37/87/77/368378777.db2.gz BPLXGSMLMWUMDY-ZDUSSCGKSA-N 1 2 255.745 2.392 20 10 CECDLO CC1(C[NH2+]Cc2cccc(Cl)c2O)OCCCO1 ZINC000190839250 369655124 /nfs/dbraw/zinc/65/51/24/369655124.db2.gz FBWCREYRHQSMSZ-UHFFFAOYSA-N 1 2 271.744 2.288 20 10 CECDLO OCC[N@H+](Cc1cccnc1)Cc1cccc(Cl)c1O ZINC000271706618 373197715 /nfs/dbraw/zinc/19/77/15/373197715.db2.gz FQQRKAAMOHXAOV-UHFFFAOYSA-N 1 2 292.766 2.435 20 10 CECDLO OCC[N@@H+](Cc1cccnc1)Cc1cccc(Cl)c1O ZINC000271706618 373197725 /nfs/dbraw/zinc/19/77/25/373197725.db2.gz FQQRKAAMOHXAOV-UHFFFAOYSA-N 1 2 292.766 2.435 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1c(O)ccc2c1CCCC2 ZINC000284245834 375825641 /nfs/dbraw/zinc/82/56/41/375825641.db2.gz CKGPYVVRGVXVPI-SOFGYWHQSA-N 1 2 297.358 2.324 20 10 CECDLO O=C1OCC[C@]12CCC[N@H+]2Cc1cc(Cl)c(F)cc1O ZINC000294566664 377997452 /nfs/dbraw/zinc/99/74/52/377997452.db2.gz GEEWYARLKDDYLM-CQSZACIVSA-N 1 2 299.729 2.466 20 10 CECDLO O=C1OCC[C@]12CCC[N@@H+]2Cc1cc(Cl)c(F)cc1O ZINC000294566664 377997457 /nfs/dbraw/zinc/99/74/57/377997457.db2.gz GEEWYARLKDDYLM-CQSZACIVSA-N 1 2 299.729 2.466 20 10 CECDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000373018846 395051872 /nfs/dbraw/zinc/05/18/72/395051872.db2.gz MDDXSFSSJXANQY-MGNBDDOMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000373018846 395051875 /nfs/dbraw/zinc/05/18/75/395051875.db2.gz MDDXSFSSJXANQY-MGNBDDOMSA-N 1 2 287.812 2.389 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1COCCO1 ZINC000038060443 174070828 /nfs/dbraw/zinc/07/08/28/174070828.db2.gz CYFHUOLOKUALBO-JTQLQIEISA-N 1 2 292.162 2.204 20 10 CECDLO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276869364 279863310 /nfs/dbraw/zinc/86/33/10/279863310.db2.gz DOHPLEDVFPOVPL-LDYMZIIASA-N 1 2 259.296 2.338 20 10 CECDLO CN(C)c1ccc(CN(C)C(=O)CCc2[nH]cc[nH+]2)cc1 ZINC000279214844 522165371 /nfs/dbraw/zinc/16/53/71/522165371.db2.gz OFFWSCODSIBCAL-UHFFFAOYSA-N 1 2 286.379 2.067 20 10 CECDLO Cc1cc(Cl)cc(C[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000276170743 524874824 /nfs/dbraw/zinc/87/48/24/524874824.db2.gz HDMHFYLSHJOTBB-SECBINFHSA-N 1 2 280.759 2.333 20 10 CECDLO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1nnc2n1CCC2 ZINC000083551783 525508568 /nfs/dbraw/zinc/50/85/68/525508568.db2.gz VFDNEJNHKPCRPK-SECBINFHSA-N 1 2 292.770 2.434 20 10 CECDLO Cc1nc(NCc2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC000266106658 527351296 /nfs/dbraw/zinc/35/12/96/527351296.db2.gz JCFVZXHBIRYNPN-UHFFFAOYSA-N 1 2 284.363 2.234 20 10 CECDLO Cn1c[nH+]cc1CCC(=O)NCc1cccc(Cl)c1O ZINC000890759067 622930536 /nfs/dbraw/zinc/93/05/36/622930536.db2.gz BKUOQCXKGXORPV-UHFFFAOYSA-N 1 2 293.754 2.028 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000894671501 629582349 /nfs/dbraw/zinc/58/23/49/629582349.db2.gz QASGVHWEHXVVGZ-UHFFFAOYSA-N 1 2 269.291 2.425 20 10 CECDLO C[N@H+](Cc1cc(F)cc(F)c1O)CC1(C)COC1 ZINC000895391994 630160899 /nfs/dbraw/zinc/16/08/99/630160899.db2.gz IWPJETDBOGELCB-UHFFFAOYSA-N 1 2 257.280 2.139 20 10 CECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)CC1(C)COC1 ZINC000895391994 630160905 /nfs/dbraw/zinc/16/09/05/630160905.db2.gz IWPJETDBOGELCB-UHFFFAOYSA-N 1 2 257.280 2.139 20 10 CECDLO C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1C ZINC000896558644 630598300 /nfs/dbraw/zinc/59/83/00/630598300.db2.gz PNDUIWNEKIMWKE-PRHODGIISA-N 1 2 272.751 2.367 20 10 CECDLO CN(C)CC[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CCCO1 ZINC000809737616 632135718 /nfs/dbraw/zinc/13/57/18/632135718.db2.gz JTUDDZYAFZERQR-HNNXBMFYSA-N 1 2 296.386 2.074 20 10 CECDLO CN(C)CC[N@H+](Cc1cc(F)ccc1O)C[C@@H]1CCCO1 ZINC000809737616 632135720 /nfs/dbraw/zinc/13/57/20/632135720.db2.gz JTUDDZYAFZERQR-HNNXBMFYSA-N 1 2 296.386 2.074 20 10 CECDLO Cc1cc(C[N@@H+]2CC[S@@](=O)CC2(C)C)ccc1N(C)C ZINC000815098628 632959037 /nfs/dbraw/zinc/95/90/37/632959037.db2.gz KPZNPLIPPYAZKM-HXUWFJFHSA-N 1 2 294.464 2.404 20 10 CECDLO Cc1cc(C[N@H+]2CC[S@@](=O)CC2(C)C)ccc1N(C)C ZINC000815098628 632959040 /nfs/dbraw/zinc/95/90/40/632959040.db2.gz KPZNPLIPPYAZKM-HXUWFJFHSA-N 1 2 294.464 2.404 20 10 CECDLO Oc1c(Cl)cccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817865083 633746609 /nfs/dbraw/zinc/74/66/09/633746609.db2.gz GIROQLOFHAGGMF-UHFFFAOYSA-N 1 2 266.772 2.374 20 10 CECDLO C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817966320 633808110 /nfs/dbraw/zinc/80/81/10/633808110.db2.gz LIVYJOMIDLPOCU-SFYZADRCSA-N 1 2 262.275 2.409 20 10 CECDLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2O)n1 ZINC000818347426 633915006 /nfs/dbraw/zinc/91/50/06/633915006.db2.gz ZQKKYORZLQYPEX-SECBINFHSA-N 1 2 278.331 2.302 20 10 CECDLO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)c2ncnn21 ZINC000826888583 635872537 /nfs/dbraw/zinc/87/25/37/635872537.db2.gz IWSBJGTVOUHZMX-GZMMTYOYSA-N 1 2 278.743 2.433 20 10 CECDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1(CO)CC1 ZINC000826990278 636179436 /nfs/dbraw/zinc/17/94/36/636179436.db2.gz CVYWUEBCRTVOOQ-QMMMGPOBSA-N 1 2 273.735 2.435 20 10 CECDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1COCCO1 ZINC000827141558 636232866 /nfs/dbraw/zinc/23/28/66/636232866.db2.gz UKNXCXWXBKELKG-LLVKDONJSA-N 1 2 289.734 2.032 20 10 CECDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H]1COCCO1 ZINC000827141558 636232871 /nfs/dbraw/zinc/23/28/71/636232871.db2.gz UKNXCXWXBKELKG-LLVKDONJSA-N 1 2 289.734 2.032 20 10 CECDLO C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1O ZINC000827930821 636462338 /nfs/dbraw/zinc/46/23/38/636462338.db2.gz ROAWMATUVGUJDC-VXGBXAGGSA-N 1 2 285.347 2.029 20 10 CECDLO C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1O ZINC000827941457 636464870 /nfs/dbraw/zinc/46/48/70/636464870.db2.gz SAFJLXRTESGFGY-NEPJUHHUSA-N 1 2 285.347 2.029 20 10 CECDLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1ccccc1O ZINC000827952600 636469318 /nfs/dbraw/zinc/46/93/18/636469318.db2.gz YGNIEGWPDLIQTH-WDEREUQCSA-N 1 2 273.336 2.171 20 10 CECDLO C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1ccccc1O ZINC000827952600 636469319 /nfs/dbraw/zinc/46/93/19/636469319.db2.gz YGNIEGWPDLIQTH-WDEREUQCSA-N 1 2 273.336 2.171 20 10 CECDLO Cc1cccc(O)c1C[N@H+](C)CC(=O)OC(C)(C)C ZINC000876659087 650382672 /nfs/dbraw/zinc/38/26/72/650382672.db2.gz MZCVGEYYJNRRDN-UHFFFAOYSA-N 1 2 265.353 2.474 20 10 CECDLO Cc1cccc(O)c1C[N@@H+](C)CC(=O)OC(C)(C)C ZINC000876659087 650382676 /nfs/dbraw/zinc/38/26/76/650382676.db2.gz MZCVGEYYJNRRDN-UHFFFAOYSA-N 1 2 265.353 2.474 20 10 CECDLO C[C@H]([NH2+]Cc1cnsn1)c1ccc(N(C)C)cc1 ZINC000846861204 641458043 /nfs/dbraw/zinc/45/80/43/641458043.db2.gz PBLNBOFVBKGQTK-JTQLQIEISA-N 1 2 262.382 2.455 20 10 CECDLO OCC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccco1 ZINC000877397064 650705371 /nfs/dbraw/zinc/70/53/71/650705371.db2.gz CTFODBSNKOWKPT-LLVKDONJSA-N 1 2 283.274 2.477 20 10 CECDLO CCc1cccc(C[N@@H+]2CCN(CC(C)C)C(=O)C2)c1O ZINC000848904351 642181840 /nfs/dbraw/zinc/18/18/40/642181840.db2.gz RDFKWCMBIYJQEP-UHFFFAOYSA-N 1 2 290.407 2.255 20 10 CECDLO CCc1cccc(C[N@H+]2CCN(CC(C)C)C(=O)C2)c1O ZINC000848904351 642181843 /nfs/dbraw/zinc/18/18/43/642181843.db2.gz RDFKWCMBIYJQEP-UHFFFAOYSA-N 1 2 290.407 2.255 20 10 CECDLO CN1CCC[NH+]=C1NCc1cc(Cl)cc(Cl)c1O ZINC000849028507 642240907 /nfs/dbraw/zinc/24/09/07/642240907.db2.gz LHNWOFAXBWHCMN-UHFFFAOYSA-N 1 2 288.178 2.480 20 10 CECDLO CCNC(=[NH2+])NCc1cc(Cl)cc(Cl)c1O ZINC000849028281 642241026 /nfs/dbraw/zinc/24/10/26/642241026.db2.gz GSDULBZESNMDCG-UHFFFAOYSA-N 1 2 262.140 2.333 20 10 CECDLO COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000850548442 642749110 /nfs/dbraw/zinc/74/91/10/642749110.db2.gz RLPRULVRYNMTPG-QMMMGPOBSA-N 1 2 288.294 2.019 20 10 CECDLO OC[C@H]1CSCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000877780391 650908253 /nfs/dbraw/zinc/90/82/53/650908253.db2.gz OWZDNYCFRKLOIU-VIFPVBQESA-N 1 2 291.775 2.094 20 10 CECDLO OC[C@H]1CSCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000877780391 650908255 /nfs/dbraw/zinc/90/82/55/650908255.db2.gz OWZDNYCFRKLOIU-VIFPVBQESA-N 1 2 291.775 2.094 20 10 CECDLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1cc(F)cc(F)c1O ZINC000756552610 644663358 /nfs/dbraw/zinc/66/33/58/644663358.db2.gz GPDITJOTOVVDQG-SSDOTTSWSA-N 1 2 253.252 2.244 20 10 CECDLO C[C@@H]([NH2+]CC1(O)CCC1)c1cc(F)cc(F)c1O ZINC000756565672 644668480 /nfs/dbraw/zinc/66/84/80/644668480.db2.gz XTJXUEFAIUPBOO-MRVPVSSYSA-N 1 2 257.280 2.236 20 10 CECDLO CCC[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756576134 644670219 /nfs/dbraw/zinc/67/02/19/644670219.db2.gz JYDQYJQVOWMQDW-WPRPVWTQSA-N 1 2 259.296 2.482 20 10 CECDLO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756642310 644678300 /nfs/dbraw/zinc/67/83/00/644678300.db2.gz MMIBKTMCRZEVPG-QPUJVOFHSA-N 1 2 259.296 2.338 20 10 CECDLO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2O)C1 ZINC000756656597 644679793 /nfs/dbraw/zinc/67/97/93/644679793.db2.gz YVQSTACGGQTFPW-KOLCDFICSA-N 1 2 298.333 2.332 20 10 CECDLO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(F)cc(F)c1O ZINC000756735939 644688218 /nfs/dbraw/zinc/68/82/18/644688218.db2.gz JHKXQDRYNJWPEL-WPRPVWTQSA-N 1 2 296.317 2.084 20 10 CECDLO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cc(F)cc(F)c1O ZINC000756768346 644690326 /nfs/dbraw/zinc/69/03/26/644690326.db2.gz CZSJFVBBQRGMGH-GZMMTYOYSA-N 1 2 271.307 2.482 20 10 CECDLO C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000843058859 644774637 /nfs/dbraw/zinc/77/46/37/644774637.db2.gz ZPQHOUWNHZZWPV-IUCAKERBSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000843058859 644774634 /nfs/dbraw/zinc/77/46/34/644774634.db2.gz ZPQHOUWNHZZWPV-IUCAKERBSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000843058859 644774639 /nfs/dbraw/zinc/77/46/39/644774639.db2.gz ZPQHOUWNHZZWPV-IUCAKERBSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1CO ZINC000857061312 644806329 /nfs/dbraw/zinc/80/63/29/644806329.db2.gz OGTNMWXQUPEDFZ-ZYHUDNBSSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1CO ZINC000857061312 644806333 /nfs/dbraw/zinc/80/63/33/644806333.db2.gz OGTNMWXQUPEDFZ-ZYHUDNBSSA-N 1 2 269.772 2.496 20 10 CECDLO CC[N@H+](CC[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000760850883 645201036 /nfs/dbraw/zinc/20/10/36/645201036.db2.gz IDDJSYSNNYSLQZ-CYBMUJFWSA-N 1 2 297.420 2.346 20 10 CECDLO CC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000760850883 645201039 /nfs/dbraw/zinc/20/10/39/645201039.db2.gz IDDJSYSNNYSLQZ-CYBMUJFWSA-N 1 2 297.420 2.346 20 10 CECDLO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769305108 646240418 /nfs/dbraw/zinc/24/04/18/646240418.db2.gz HSVLVXCBRNJRMO-UHFFFAOYSA-N 1 2 282.359 2.275 20 10 CECDLO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769305108 646240421 /nfs/dbraw/zinc/24/04/21/646240421.db2.gz HSVLVXCBRNJRMO-UHFFFAOYSA-N 1 2 282.359 2.275 20 10 CECDLO CC(=O)N1CC[N@H+](Cc2cc(Cl)ccc2O)[C@H](C)C1 ZINC000769447754 646267561 /nfs/dbraw/zinc/26/75/61/646267561.db2.gz KWLPMHXQTNDLPB-SNVBAGLBSA-N 1 2 282.771 2.098 20 10 CECDLO CC(=O)N1CC[N@@H+](Cc2cc(Cl)ccc2O)[C@H](C)C1 ZINC000769447754 646267565 /nfs/dbraw/zinc/26/75/65/646267565.db2.gz KWLPMHXQTNDLPB-SNVBAGLBSA-N 1 2 282.771 2.098 20 10 CECDLO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1O ZINC000863546636 646754059 /nfs/dbraw/zinc/75/40/59/646754059.db2.gz MBVUPWOYGJDFRM-FOGDFJRCSA-N 1 2 252.333 2.322 20 10 CECDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc(F)c1O ZINC000775985485 647013722 /nfs/dbraw/zinc/01/37/22/647013722.db2.gz LRNNQKJFXGFKBJ-WDEREUQCSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cccc(F)c1O ZINC000775985485 647013724 /nfs/dbraw/zinc/01/37/24/647013724.db2.gz LRNNQKJFXGFKBJ-WDEREUQCSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1cccc(F)c1O ZINC000775985485 647013727 /nfs/dbraw/zinc/01/37/27/647013727.db2.gz LRNNQKJFXGFKBJ-WDEREUQCSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1cccc(F)c1O ZINC000775985485 647013729 /nfs/dbraw/zinc/01/37/29/647013729.db2.gz LRNNQKJFXGFKBJ-WDEREUQCSA-N 1 2 252.333 2.056 20 10 CECDLO CSC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776208939 647036812 /nfs/dbraw/zinc/03/68/12/647036812.db2.gz FDDXGTTYQDBSHA-GFCCVEGCSA-N 1 2 293.791 2.388 20 10 CECDLO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000776251976 647042630 /nfs/dbraw/zinc/04/26/30/647042630.db2.gz GFOGXGKWVBTWTB-CMPLNLGQSA-N 1 2 282.771 2.050 20 10 CECDLO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000788270797 648167994 /nfs/dbraw/zinc/16/79/94/648167994.db2.gz RURAHZQUSDUWCY-XVKPBYJWSA-N 1 2 259.708 2.140 20 10 CECDLO C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000788270797 648167996 /nfs/dbraw/zinc/16/79/96/648167996.db2.gz RURAHZQUSDUWCY-XVKPBYJWSA-N 1 2 259.708 2.140 20 10 CECDLO C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(F)cc(F)c1O ZINC000788606333 648206952 /nfs/dbraw/zinc/20/69/52/648206952.db2.gz XOFITZHPJKYWDZ-DTWKUNHWSA-N 1 2 259.296 2.482 20 10 CECDLO CO[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792164645 648617319 /nfs/dbraw/zinc/61/73/19/648617319.db2.gz BRMYKRGGJPPAKD-MRVPVSSYSA-N 1 2 259.708 2.405 20 10 CECDLO CO[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792164645 648617321 /nfs/dbraw/zinc/61/73/21/648617321.db2.gz BRMYKRGGJPPAKD-MRVPVSSYSA-N 1 2 259.708 2.405 20 10 CECDLO CCCOc1ccc(C[NH2+]Cc2cnn(C)n2)cc1C ZINC000873126814 649564628 /nfs/dbraw/zinc/56/46/28/649564628.db2.gz LKGZREVDUPNWKO-UHFFFAOYSA-N 1 2 274.368 2.202 20 10 CECDLO Cc1[nH+]cccc1NCCc1cc(O)c(O)cc1O ZINC001168005467 805657564 /nfs/dbraw/zinc/65/75/64/805657564.db2.gz HSUCFXBAYIOOKD-UHFFFAOYSA-N 1 2 260.293 2.161 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001140581688 803176504 /nfs/dbraw/zinc/17/65/04/803176504.db2.gz XPHPVBOYRGOIJW-OTYXRUKQSA-N 1 2 269.291 2.281 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001140581688 803176507 /nfs/dbraw/zinc/17/65/07/803176507.db2.gz XPHPVBOYRGOIJW-OTYXRUKQSA-N 1 2 269.291 2.281 20 10 CECDLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140582128 803177891 /nfs/dbraw/zinc/17/78/91/803177891.db2.gz DLOXZHMPERDWKH-PSASIEDQSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140582128 803177894 /nfs/dbraw/zinc/17/78/94/803177894.db2.gz DLOXZHMPERDWKH-PSASIEDQSA-N 1 2 257.280 2.016 20 10 CECDLO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)[C@H]1C ZINC001140583948 803183060 /nfs/dbraw/zinc/18/30/60/803183060.db2.gz ZQKNGUKDZDVGNK-ONGXEEELSA-N 1 2 299.317 2.444 20 10 CECDLO COC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)[C@H]1C ZINC001140583948 803183066 /nfs/dbraw/zinc/18/30/66/803183066.db2.gz ZQKNGUKDZDVGNK-ONGXEEELSA-N 1 2 299.317 2.444 20 10 CECDLO CON1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000692186653 808395130 /nfs/dbraw/zinc/39/51/30/808395130.db2.gz CUMMBBZXSDEQPS-UHFFFAOYSA-N 1 2 270.760 2.161 20 10 CECDLO c1cn(-c2ccccc2-c2noc(-c3csnn3)n2)c[nH+]1 ZINC001212362703 808659846 /nfs/dbraw/zinc/65/98/46/808659846.db2.gz XNQAFVBXVKCGRJ-UHFFFAOYSA-N 1 2 296.315 2.441 20 10 CECDLO C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(F)c(F)c3[O-])C[C@]2(C)C1 ZINC000703489664 809652486 /nfs/dbraw/zinc/65/24/86/809652486.db2.gz HGIVWJFMDBAQOX-ABAIWWIYSA-N 1 2 282.334 2.054 20 10 CECDLO C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@]2(C)C1 ZINC000703489664 809652500 /nfs/dbraw/zinc/65/25/00/809652500.db2.gz HGIVWJFMDBAQOX-ABAIWWIYSA-N 1 2 282.334 2.054 20 10 CECDLO CO[C@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139125061 812087613 /nfs/dbraw/zinc/08/76/13/812087613.db2.gz KGQFTRJEOOAJKJ-NSHDSACASA-N 1 2 289.331 2.028 20 10 CECDLO CO[C@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139125061 812087617 /nfs/dbraw/zinc/08/76/17/812087617.db2.gz KGQFTRJEOOAJKJ-NSHDSACASA-N 1 2 289.331 2.028 20 10 CECDLO COC[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000714476452 814907303 /nfs/dbraw/zinc/90/73/03/814907303.db2.gz FWBQDGJFHYMVII-DKTWLAJQSA-N 1 2 257.280 2.185 20 10 CECDLO Oc1cccc(F)c1CN1CCN(c2cc[nH+]cc2)CC1 ZINC001137831705 815690395 /nfs/dbraw/zinc/69/03/95/815690395.db2.gz KPKBFTYRIKEVJU-UHFFFAOYSA-N 1 2 287.338 2.249 20 10 CECDLO CCOC(=O)[C@H]1C[N@H+](Cc2cccc(F)c2O)CCS1 ZINC001138129863 815735131 /nfs/dbraw/zinc/73/51/31/815735131.db2.gz XDGNFDREDKVOOI-GFCCVEGCSA-N 1 2 299.367 2.012 20 10 CECDLO CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCS1 ZINC001138129863 815735134 /nfs/dbraw/zinc/73/51/34/815735134.db2.gz XDGNFDREDKVOOI-GFCCVEGCSA-N 1 2 299.367 2.012 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CC[NH+](C2CCC2)CC1 ZINC001139685600 816081123 /nfs/dbraw/zinc/08/11/23/816081123.db2.gz PHBFNFNPUNPRSV-UHFFFAOYSA-N 1 2 282.334 2.341 20 10 CECDLO Cc1ccc(C)c(C[N@@H+]2C[C@H](CO)CC(F)(F)C2)c1O ZINC001140178399 816203876 /nfs/dbraw/zinc/20/38/76/816203876.db2.gz KOFJFFVTAZRMIJ-GFCCVEGCSA-N 1 2 285.334 2.459 20 10 CECDLO Cc1ccc(C)c(C[N@H+]2C[C@H](CO)CC(F)(F)C2)c1O ZINC001140178399 816203881 /nfs/dbraw/zinc/20/38/81/816203881.db2.gz KOFJFFVTAZRMIJ-GFCCVEGCSA-N 1 2 285.334 2.459 20 10 CECDLO CO[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1F ZINC001140337820 816238335 /nfs/dbraw/zinc/23/83/35/816238335.db2.gz GYNHYKUMGYBDSZ-JQWIXIFHSA-N 1 2 259.708 2.214 20 10 CECDLO CO[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1F ZINC001140337820 816238342 /nfs/dbraw/zinc/23/83/42/816238342.db2.gz GYNHYKUMGYBDSZ-JQWIXIFHSA-N 1 2 259.708 2.214 20 10 CECDLO CCOC(=O)C[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140463111 816260546 /nfs/dbraw/zinc/26/05/46/816260546.db2.gz SQTXIYDGFCQHLN-UHFFFAOYSA-N 1 2 257.717 2.041 20 10 CECDLO CCOC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001140463111 816260552 /nfs/dbraw/zinc/26/05/52/816260552.db2.gz SQTXIYDGFCQHLN-UHFFFAOYSA-N 1 2 257.717 2.041 20 10 CECDLO C[N@H+](Cc1c(O)cc(F)cc1F)CC1(C)COC1 ZINC001140583574 816292329 /nfs/dbraw/zinc/29/23/29/816292329.db2.gz LROGKTPDMQLVAU-UHFFFAOYSA-N 1 2 257.280 2.139 20 10 CECDLO C[N@@H+](Cc1c(O)cc(F)cc1F)CC1(C)COC1 ZINC001140583574 816292331 /nfs/dbraw/zinc/29/23/31/816292331.db2.gz LROGKTPDMQLVAU-UHFFFAOYSA-N 1 2 257.280 2.139 20 10 CECDLO CC(C)[N@H+](CCCO)Cc1c(O)cc(F)cc1F ZINC001140583887 816293334 /nfs/dbraw/zinc/29/33/34/816293334.db2.gz XPBQMYKJEBLCAJ-UHFFFAOYSA-N 1 2 259.296 2.263 20 10 CECDLO CC(C)[N@@H+](CCCO)Cc1c(O)cc(F)cc1F ZINC001140583887 816293335 /nfs/dbraw/zinc/29/33/35/816293335.db2.gz XPBQMYKJEBLCAJ-UHFFFAOYSA-N 1 2 259.296 2.263 20 10 CECDLO O=C1CCC[C@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@H]12 ZINC001140584864 816294733 /nfs/dbraw/zinc/29/47/33/816294733.db2.gz HRLDVVDQBMDTME-ONGXEEELSA-N 1 2 281.302 2.471 20 10 CECDLO O=C1CCC[C@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@H]12 ZINC001140584864 816294738 /nfs/dbraw/zinc/29/47/38/816294738.db2.gz HRLDVVDQBMDTME-ONGXEEELSA-N 1 2 281.302 2.471 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2C[C@@H](CO)CC(F)(F)C2)c1 ZINC001140619684 816305434 /nfs/dbraw/zinc/30/54/34/816305434.db2.gz KJDKNBMAUYLLBL-NSHDSACASA-N 1 2 271.307 2.150 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2C[C@@H](CO)CC(F)(F)C2)c1 ZINC001140619684 816305441 /nfs/dbraw/zinc/30/54/41/816305441.db2.gz KJDKNBMAUYLLBL-NSHDSACASA-N 1 2 271.307 2.150 20 10 CECDLO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H](F)C1 ZINC001140660036 816314734 /nfs/dbraw/zinc/31/47/34/816314734.db2.gz CYBZNZVNZPFNHJ-ZDUSSCGKSA-N 1 2 282.334 2.206 20 10 CECDLO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](F)C1 ZINC001140660036 816314742 /nfs/dbraw/zinc/31/47/42/816314742.db2.gz CYBZNZVNZPFNHJ-ZDUSSCGKSA-N 1 2 282.334 2.206 20 10 CECDLO CCOC(=O)C1C[NH+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140924711 816411009 /nfs/dbraw/zinc/41/10/09/816411009.db2.gz NMBZDXVZCALPKY-UHFFFAOYSA-N 1 2 296.798 2.401 20 10 CECDLO CCOC1(C)C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000839145082 816563798 /nfs/dbraw/zinc/56/37/98/816563798.db2.gz XPYBINUOBHPSPC-UHFFFAOYSA-N 1 2 281.352 2.020 20 10 CECDLO O=C1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CN1C1CC1 ZINC001177972195 816646791 /nfs/dbraw/zinc/64/67/91/816646791.db2.gz FFHJYWWNEVXRAX-JTQLQIEISA-N 1 2 298.745 2.038 20 10 CECDLO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCCC1=O ZINC001142508500 816677800 /nfs/dbraw/zinc/67/78/00/816677800.db2.gz AYIGFWKKHFQYCB-VIFPVBQESA-N 1 2 269.291 2.471 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCCC1=O ZINC001142508500 816677807 /nfs/dbraw/zinc/67/78/07/816677807.db2.gz AYIGFWKKHFQYCB-VIFPVBQESA-N 1 2 269.291 2.471 20 10 CECDLO COC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000053139074 343571180 /nfs/dbraw/zinc/57/11/80/343571180.db2.gz GIJOLPFWHFZWFD-UHFFFAOYSA-N 1 2 276.380 2.282 20 10 CECDLO COC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000053139074 343571181 /nfs/dbraw/zinc/57/11/81/343571181.db2.gz GIJOLPFWHFZWFD-UHFFFAOYSA-N 1 2 276.380 2.282 20 10 CECDLO NC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000157148771 366840736 /nfs/dbraw/zinc/84/07/36/366840736.db2.gz ZAPPRWWUAOZYCG-ZETCQYMHSA-N 1 2 289.162 2.006 20 10 CECDLO NC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000157148771 366840745 /nfs/dbraw/zinc/84/07/45/366840745.db2.gz ZAPPRWWUAOZYCG-ZETCQYMHSA-N 1 2 289.162 2.006 20 10 CECDLO Cn1c(C[N@H+](C)Cc2ccccc2O)nnc1C1CC1 ZINC000111235538 364724586 /nfs/dbraw/zinc/72/45/86/364724586.db2.gz DPMQSIJLFJFQLU-UHFFFAOYSA-N 1 2 272.352 2.030 20 10 CECDLO COc1ccc(O)c(C[N@H+](C)Cc2nccs2)c1 ZINC000180371058 368377976 /nfs/dbraw/zinc/37/79/76/368377976.db2.gz HDIIOGPPHQJLIB-UHFFFAOYSA-N 1 2 264.350 2.489 20 10 CECDLO COc1ccc(O)c(C[N@@H+](C)Cc2nccs2)c1 ZINC000180371058 368377982 /nfs/dbraw/zinc/37/79/82/368377982.db2.gz HDIIOGPPHQJLIB-UHFFFAOYSA-N 1 2 264.350 2.489 20 10 CECDLO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)[C@@H]1CO ZINC000191179892 369688442 /nfs/dbraw/zinc/68/84/42/369688442.db2.gz HGRYPUCGNJFJLF-JOYOIKCWSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)[C@@H]1CO ZINC000191179892 369688444 /nfs/dbraw/zinc/68/84/44/369688444.db2.gz HGRYPUCGNJFJLF-JOYOIKCWSA-N 1 2 255.745 2.248 20 10 CECDLO COC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000193094968 369892133 /nfs/dbraw/zinc/89/21/33/369892133.db2.gz DWAYQPVXKQSDQV-MRVPVSSYSA-N 1 2 257.717 2.005 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000195010955 370096262 /nfs/dbraw/zinc/09/62/62/370096262.db2.gz RHDMFLNQNWVICW-AWEZNQCLSA-N 1 2 283.755 2.037 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000195010955 370096266 /nfs/dbraw/zinc/09/62/66/370096266.db2.gz RHDMFLNQNWVICW-AWEZNQCLSA-N 1 2 283.755 2.037 20 10 CECDLO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000189412311 284302763 /nfs/dbraw/zinc/30/27/63/284302763.db2.gz QAVQWWOZQSWLPO-RKDXNWHRSA-N 1 2 286.322 2.188 20 10 CECDLO CCOc1cccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000271175576 373164652 /nfs/dbraw/zinc/16/46/52/373164652.db2.gz FUUNDNFJQPIYJU-ZBUHCNDUSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1cccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000271175576 373164660 /nfs/dbraw/zinc/16/46/60/373164660.db2.gz FUUNDNFJQPIYJU-ZBUHCNDUSA-N 1 2 297.420 2.132 20 10 CECDLO COC(=O)[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000272963233 373733998 /nfs/dbraw/zinc/73/39/98/373733998.db2.gz AYJNRQRCCPDSKZ-LKFCYVNXSA-N 1 2 279.336 2.003 20 10 CECDLO CC[C@H]([NH2+][C@H](C)c1ncn(C)n1)c1ccc(F)cc1O ZINC000287375846 376218544 /nfs/dbraw/zinc/21/85/44/376218544.db2.gz HZGHJHJULFOYJD-SKDRFNHKSA-N 1 2 278.331 2.462 20 10 CECDLO CC(C)OC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000372123957 395035047 /nfs/dbraw/zinc/03/50/47/395035047.db2.gz GRCJXIBKOMHWRU-CQSZACIVSA-N 1 2 283.343 2.157 20 10 CECDLO CC(C)OC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000372123957 395035049 /nfs/dbraw/zinc/03/50/49/395035049.db2.gz GRCJXIBKOMHWRU-CQSZACIVSA-N 1 2 283.343 2.157 20 10 CECDLO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293547722 395238749 /nfs/dbraw/zinc/23/87/49/395238749.db2.gz GRFRKLDWIGOXOB-JGVFFNPUSA-N 1 2 261.724 2.291 20 10 CECDLO COC(=O)[C@H]([NH2+]Cc1cc(C)c(C)cc1O)C1CC1 ZINC000276451520 263036771 /nfs/dbraw/zinc/03/67/71/263036771.db2.gz JWBWAIXNPGMHJI-CQSZACIVSA-N 1 2 263.337 2.050 20 10 CECDLO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000276947822 263038827 /nfs/dbraw/zinc/03/88/27/263038827.db2.gz QJPSZPUQWBWUON-YLWLKBPMSA-N 1 2 285.212 2.244 20 10 CECDLO CC[C@H]([NH2+]C[C@H](O)COC)c1cccc(Cl)c1O ZINC000287854331 263102950 /nfs/dbraw/zinc/10/29/50/263102950.db2.gz WYYXHHFUTZBPCL-CABZTGNLSA-N 1 2 273.760 2.094 20 10 CECDLO c1cn(C2C[NH+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000370070771 267289438 /nfs/dbraw/zinc/28/94/38/267289438.db2.gz CKWFHGKDKZCRAQ-UHFFFAOYSA-N 1 2 297.406 2.325 20 10 CECDLO CC[N@H+](CCCN1CCOC1=O)c1ccc(OC)cc1 ZINC000746107484 575148377 /nfs/dbraw/zinc/14/83/77/575148377.db2.gz IMHFKYRXQSGKSP-UHFFFAOYSA-N 1 2 278.352 2.364 20 10 CECDLO CC[N@@H+](CCCN1CCOC1=O)c1ccc(OC)cc1 ZINC000746107484 575148378 /nfs/dbraw/zinc/14/83/78/575148378.db2.gz IMHFKYRXQSGKSP-UHFFFAOYSA-N 1 2 278.352 2.364 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000753436315 575326349 /nfs/dbraw/zinc/32/63/49/575326349.db2.gz ZQSZOHIEPWQXKI-VIFPVBQESA-N 1 2 263.322 2.154 20 10 CECDLO COc1cc(C[N@H+](C)CC(=O)OC(C)(C)C)c(O)cc1C ZINC000160240747 622594232 /nfs/dbraw/zinc/59/42/32/622594232.db2.gz WOROEPQTLJCOOA-UHFFFAOYSA-N 1 2 295.379 2.483 20 10 CECDLO COc1cc(C[N@@H+](C)CC(=O)OC(C)(C)C)c(O)cc1C ZINC000160240747 622594236 /nfs/dbraw/zinc/59/42/36/622594236.db2.gz WOROEPQTLJCOOA-UHFFFAOYSA-N 1 2 295.379 2.483 20 10 CECDLO CN(C)c1ccc(CNc2cc(N(C)C)nc[nH+]2)cc1 ZINC000891579420 623800995 /nfs/dbraw/zinc/80/09/95/623800995.db2.gz XYOWWUZFTLEACF-UHFFFAOYSA-N 1 2 271.368 2.221 20 10 CECDLO CN(C)c1ccc(CNc2cc(N(C)C)[nH+]cn2)cc1 ZINC000891579420 623801000 /nfs/dbraw/zinc/80/10/00/623801000.db2.gz XYOWWUZFTLEACF-UHFFFAOYSA-N 1 2 271.368 2.221 20 10 CECDLO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000178849388 629186414 /nfs/dbraw/zinc/18/64/14/629186414.db2.gz HLSDAADPQQENMK-INIZCTEOSA-N 1 2 297.354 2.492 20 10 CECDLO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1O ZINC000178849388 629186415 /nfs/dbraw/zinc/18/64/15/629186415.db2.gz HLSDAADPQQENMK-INIZCTEOSA-N 1 2 297.354 2.492 20 10 CECDLO CCOc1cccc(C[N@H+](C)Cc2ncc[nH]2)c1O ZINC000894583726 629545383 /nfs/dbraw/zinc/54/53/83/629545383.db2.gz LCDAMUHNWVABTO-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO CCOc1cccc(C[N@@H+](C)Cc2ncc[nH]2)c1O ZINC000894583726 629545384 /nfs/dbraw/zinc/54/53/84/629545384.db2.gz LCDAMUHNWVABTO-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO CC[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)OC ZINC000895120763 629923552 /nfs/dbraw/zinc/92/35/52/629923552.db2.gz BHWIDYAPHJUFDK-MRVPVSSYSA-N 1 2 289.734 2.474 20 10 CECDLO COc1cc(C)cc(C[N@H+](C)Cc2cnc[nH]2)c1O ZINC000895224647 630042203 /nfs/dbraw/zinc/04/22/03/630042203.db2.gz KYJCYNPJJCHYIH-UHFFFAOYSA-N 1 2 261.325 2.064 20 10 CECDLO COc1cc(C)cc(C[N@@H+](C)Cc2cnc[nH]2)c1O ZINC000895224647 630042208 /nfs/dbraw/zinc/04/22/08/630042208.db2.gz KYJCYNPJJCHYIH-UHFFFAOYSA-N 1 2 261.325 2.064 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896385290 630549211 /nfs/dbraw/zinc/54/92/11/630549211.db2.gz GADCWVSSYHDCTQ-NSHDSACASA-N 1 2 283.755 2.240 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896385290 630549212 /nfs/dbraw/zinc/54/92/12/630549212.db2.gz GADCWVSSYHDCTQ-NSHDSACASA-N 1 2 283.755 2.240 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824725940 635486342 /nfs/dbraw/zinc/48/63/42/635486342.db2.gz AJRGTJJTONKCDG-GFCCVEGCSA-N 1 2 295.688 2.387 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000824725940 635486344 /nfs/dbraw/zinc/48/63/44/635486344.db2.gz AJRGTJJTONKCDG-GFCCVEGCSA-N 1 2 295.688 2.387 20 10 CECDLO CC1(C)CC[N@H+](Cc2cccc(F)c2O)CC[S@]1=O ZINC000322101099 631723479 /nfs/dbraw/zinc/72/34/79/631723479.db2.gz JFZJLATVLMETIR-LJQANCHMSA-N 1 2 285.384 2.264 20 10 CECDLO C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000807274221 631826432 /nfs/dbraw/zinc/82/64/32/631826432.db2.gz LPGNEFTWEGOZKO-GFCCVEGCSA-N 1 2 286.379 2.286 20 10 CECDLO C[N@@H+]1CC[C@@H]2CN(Cc3c(O)ccc4ccncc43)C[C@@H]21 ZINC000840132337 631942315 /nfs/dbraw/zinc/94/23/15/631942315.db2.gz LAIYNKZXDXANRB-CJNGLKHVSA-N 1 2 283.375 2.076 20 10 CECDLO C[N@H+]1CC[C@@H]2CN(Cc3c(O)ccc4ccncc43)C[C@@H]21 ZINC000840132337 631942319 /nfs/dbraw/zinc/94/23/19/631942319.db2.gz LAIYNKZXDXANRB-CJNGLKHVSA-N 1 2 283.375 2.076 20 10 CECDLO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ncn(C)n2)c1O ZINC000808709100 632003924 /nfs/dbraw/zinc/00/39/24/632003924.db2.gz BUPMDPKCYGONHE-SECBINFHSA-N 1 2 280.759 2.333 20 10 CECDLO C[N@@H+]1C[C@@H]2CCN(Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000814172933 632798249 /nfs/dbraw/zinc/79/82/49/632798249.db2.gz DGZFOBPURPOYIF-GXFFZTMASA-N 1 2 266.772 2.182 20 10 CECDLO C[N@H+]1C[C@@H]2CCN(Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000814172933 632798254 /nfs/dbraw/zinc/79/82/54/632798254.db2.gz DGZFOBPURPOYIF-GXFFZTMASA-N 1 2 266.772 2.182 20 10 CECDLO COC(=O)C[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000815060537 632953411 /nfs/dbraw/zinc/95/34/11/632953411.db2.gz QTOQIGJFVQMZJI-UHFFFAOYSA-N 1 2 276.380 2.198 20 10 CECDLO COC(=O)C[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000815060537 632953413 /nfs/dbraw/zinc/95/34/13/632953413.db2.gz QTOQIGJFVQMZJI-UHFFFAOYSA-N 1 2 276.380 2.198 20 10 CECDLO Cc1cc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)ccc1N(C)C ZINC000815100073 632958955 /nfs/dbraw/zinc/95/89/55/632958955.db2.gz BXDAEJGITCJHQE-ZIAGYGMSSA-N 1 2 294.464 2.402 20 10 CECDLO OCC(F)(F)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816570680 633415092 /nfs/dbraw/zinc/41/50/92/633415092.db2.gz CRPGGOULBOVZCY-UHFFFAOYSA-N 1 2 267.275 2.263 20 10 CECDLO CN1CCC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000042412599 633974929 /nfs/dbraw/zinc/97/49/29/633974929.db2.gz XOJTUUBHFDOJAB-LLVKDONJSA-N 1 2 299.212 2.339 20 10 CECDLO Cc1[nH]c(/C=C2/SC(N3CCCCC3)=NC2=O)[nH+]c1C ZINC000901436732 634113531 /nfs/dbraw/zinc/11/35/31/634113531.db2.gz ZHIJWACZFLZVOF-DHZHZOJOSA-N 1 2 290.392 2.483 20 10 CECDLO COC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000824835926 635507087 /nfs/dbraw/zinc/50/70/87/635507087.db2.gz CSDVTPLSVNNDRU-LBPRGKRZSA-N 1 2 285.771 2.201 20 10 CECDLO COC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000824835926 635507095 /nfs/dbraw/zinc/50/70/95/635507095.db2.gz CSDVTPLSVNNDRU-LBPRGKRZSA-N 1 2 285.771 2.201 20 10 CECDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@]1(C)CO ZINC000827699847 636398355 /nfs/dbraw/zinc/39/83/55/636398355.db2.gz MYSLQCFPNLNUAT-IINYFYTJSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@]1(C)CO ZINC000827699847 636398359 /nfs/dbraw/zinc/39/83/59/636398359.db2.gz MYSLQCFPNLNUAT-IINYFYTJSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H](CC(=O)N[C@H](C)c1ccccc1O)n1cc[nH+]c1 ZINC000827952375 636468289 /nfs/dbraw/zinc/46/82/89/636468289.db2.gz PWLZQQSKUFKFQT-VXGBXAGGSA-N 1 2 273.336 2.417 20 10 CECDLO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(F)cc(F)c1O ZINC000834906627 637983468 /nfs/dbraw/zinc/98/34/68/637983468.db2.gz QTRUYLNGDTZSDN-VYUIOLGVSA-N 1 2 271.307 2.482 20 10 CECDLO Cc1cc(O)c(C[N@H+](C)CC(=O)NC2CC2)c(Cl)c1 ZINC000840909702 639582785 /nfs/dbraw/zinc/58/27/85/639582785.db2.gz KXFLOGMDPUSGOR-UHFFFAOYSA-N 1 2 282.771 2.064 20 10 CECDLO Cc1cc(O)c(C[N@@H+](C)CC(=O)NC2CC2)c(Cl)c1 ZINC000840909702 639582793 /nfs/dbraw/zinc/58/27/93/639582793.db2.gz KXFLOGMDPUSGOR-UHFFFAOYSA-N 1 2 282.771 2.064 20 10 CECDLO C[C@H]([NH2+]CC(F)(F)CO)c1ccc(Cl)cc1O ZINC000841751226 639858381 /nfs/dbraw/zinc/85/83/81/639858381.db2.gz GFEPPBSCEAJADI-ZETCQYMHSA-N 1 2 265.687 2.324 20 10 CECDLO Cc1nc(CC[NH2+][C@H](C)c2ccc(Cl)cc2O)n[nH]1 ZINC000841753982 639858595 /nfs/dbraw/zinc/85/85/95/639858595.db2.gz OWGXGICWCBKZIO-MRVPVSSYSA-N 1 2 280.759 2.365 20 10 CECDLO Cc1nnc(CC[NH2+][C@H](C)c2ccc(Cl)cc2O)[nH]1 ZINC000841753982 639858600 /nfs/dbraw/zinc/85/86/00/639858600.db2.gz OWGXGICWCBKZIO-MRVPVSSYSA-N 1 2 280.759 2.365 20 10 CECDLO C[C@@H](CC(=O)N(C)c1ccc(N)cc1)n1cc[nH+]c1 ZINC000877075988 650561196 /nfs/dbraw/zinc/56/11/96/650561196.db2.gz KSZHOMUESCYEGR-NSHDSACASA-N 1 2 258.325 2.079 20 10 CECDLO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000843048406 640252916 /nfs/dbraw/zinc/25/29/16/640252916.db2.gz QKSJRUQPOLCGNI-JTQLQIEISA-N 1 2 299.212 2.244 20 10 CECDLO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000843048406 640252920 /nfs/dbraw/zinc/25/29/20/640252920.db2.gz QKSJRUQPOLCGNI-JTQLQIEISA-N 1 2 299.212 2.244 20 10 CECDLO Cc1cc(Br)c(O)c(CN2CC[C@@H](C[NH3+])C2)c1 ZINC000843048406 640252924 /nfs/dbraw/zinc/25/29/24/640252924.db2.gz QKSJRUQPOLCGNI-JTQLQIEISA-N 1 2 299.212 2.244 20 10 CECDLO C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000843058857 640260950 /nfs/dbraw/zinc/26/09/50/640260950.db2.gz ZPQHOUWNHZZWPV-BDAKNGLRSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000843058857 640260953 /nfs/dbraw/zinc/26/09/53/640260953.db2.gz ZPQHOUWNHZZWPV-BDAKNGLRSA-N 1 2 272.751 2.354 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CCN(C)C(=O)C2)cc1C(C)C ZINC000844729829 640819408 /nfs/dbraw/zinc/81/94/08/640819408.db2.gz UXZAIDUCXBDGAG-UHFFFAOYSA-N 1 2 276.380 2.098 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CCN(C)C(=O)C2)cc1C(C)C ZINC000844729829 640819416 /nfs/dbraw/zinc/81/94/16/640819416.db2.gz UXZAIDUCXBDGAG-UHFFFAOYSA-N 1 2 276.380 2.098 20 10 CECDLO COc1ccc(N2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000846745891 641408607 /nfs/dbraw/zinc/40/86/07/641408607.db2.gz SYOJPJGEIVNFRL-UHFFFAOYSA-N 1 2 299.374 2.425 20 10 CECDLO Cc1ccc(C[N@H+](C)Cc2ncnn2CC(F)F)c(O)c1 ZINC000877483210 650743714 /nfs/dbraw/zinc/74/37/14/650743714.db2.gz PURCPAFZBNJVOQ-UHFFFAOYSA-N 1 2 296.321 2.189 20 10 CECDLO Cc1ccc(C[N@@H+](C)Cc2ncnn2CC(F)F)c(O)c1 ZINC000877483210 650743716 /nfs/dbraw/zinc/74/37/16/650743716.db2.gz PURCPAFZBNJVOQ-UHFFFAOYSA-N 1 2 296.321 2.189 20 10 CECDLO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(F)cc1O ZINC000850499710 642732818 /nfs/dbraw/zinc/73/28/18/642732818.db2.gz VUHAXVKXIJVWJF-HOTUBEGUSA-N 1 2 276.315 2.479 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000877700868 650858384 /nfs/dbraw/zinc/85/83/84/650858384.db2.gz GAFAZDIQEAKLGH-QWRGUYRKSA-N 1 2 259.708 2.188 20 10 CECDLO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756488216 644654384 /nfs/dbraw/zinc/65/43/84/644654384.db2.gz MAHVFNOXUOSGGL-IUCAKERBSA-N 1 2 282.294 2.001 20 10 CECDLO CCn1cnnc1CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756731807 644687269 /nfs/dbraw/zinc/68/72/69/644687269.db2.gz DCFKUPKZGCZNJC-SECBINFHSA-N 1 2 296.321 2.175 20 10 CECDLO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(F)cc(F)c1O ZINC000858545457 645195840 /nfs/dbraw/zinc/19/58/40/645195840.db2.gz OUTWVBPHLORUOG-MRTMQBJTSA-N 1 2 257.280 2.092 20 10 CECDLO O=C(NCc1ccn2cc[nH+]c2c1)C1=CC(=O)CS1 ZINC000762579825 645428027 /nfs/dbraw/zinc/42/80/27/645428027.db2.gz VTEPVFXNZIJBPP-UHFFFAOYSA-N 1 2 273.317 2.031 20 10 CECDLO C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000863546647 646753574 /nfs/dbraw/zinc/75/35/74/646753574.db2.gz MFHWZEHNOQRTKA-VWYCJHECSA-N 1 2 279.340 2.092 20 10 CECDLO CCC[N@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775644008 646974800 /nfs/dbraw/zinc/97/48/00/646974800.db2.gz ZNMBOBQVTRNDTC-UHFFFAOYSA-N 1 2 261.724 2.389 20 10 CECDLO CCC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775644008 646974803 /nfs/dbraw/zinc/97/48/03/646974803.db2.gz ZNMBOBQVTRNDTC-UHFFFAOYSA-N 1 2 261.724 2.389 20 10 CECDLO OCC[C@@H]1CSCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775737496 646985584 /nfs/dbraw/zinc/98/55/84/646985584.db2.gz NHWCIVDHVUGFTE-LLVKDONJSA-N 1 2 287.812 2.345 20 10 CECDLO OCC[C@@H]1CSCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775737496 646985585 /nfs/dbraw/zinc/98/55/85/646985585.db2.gz NHWCIVDHVUGFTE-LLVKDONJSA-N 1 2 287.812 2.345 20 10 CECDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000864422621 646997622 /nfs/dbraw/zinc/99/76/22/646997622.db2.gz AIAFELICPOQROZ-NEPJUHHUSA-N 1 2 288.351 2.038 20 10 CECDLO CN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776099454 647022850 /nfs/dbraw/zinc/02/28/50/647022850.db2.gz RMSWKDUSGKIJKY-LLVKDONJSA-N 1 2 272.751 2.369 20 10 CECDLO C[S@](=O)CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776208366 647036077 /nfs/dbraw/zinc/03/60/77/647036077.db2.gz ABZMQJWMWMKPDK-KRWDZBQOSA-N 1 2 279.764 2.043 20 10 CECDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521224 647067884 /nfs/dbraw/zinc/06/78/84/647067884.db2.gz MTEGTTYOVKBNKL-DCXZOGHSSA-N 1 2 293.791 2.384 20 10 CECDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521224 647067890 /nfs/dbraw/zinc/06/78/90/647067890.db2.gz MTEGTTYOVKBNKL-DCXZOGHSSA-N 1 2 293.791 2.384 20 10 CECDLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000779190735 647295876 /nfs/dbraw/zinc/29/58/76/647295876.db2.gz GVRYDSKRUQBOKO-QWRGUYRKSA-N 1 2 273.735 2.434 20 10 CECDLO CCCNC(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000124724892 649730703 /nfs/dbraw/zinc/73/07/03/649730703.db2.gz OWJYEQUGQSMZLJ-UHFFFAOYSA-N 1 2 270.760 2.052 20 10 CECDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1=O ZINC000127210448 651135724 /nfs/dbraw/zinc/13/57/24/651135724.db2.gz ACBVJIXORQTBLR-MRXNPFEDSA-N 1 2 288.391 2.424 20 10 CECDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCOC1=O ZINC000127210448 651135727 /nfs/dbraw/zinc/13/57/27/651135727.db2.gz ACBVJIXORQTBLR-MRXNPFEDSA-N 1 2 288.391 2.424 20 10 CECDLO CCn1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1=O ZINC000883106448 652365028 /nfs/dbraw/zinc/36/50/28/652365028.db2.gz SQGFMHKKEZSROM-UHFFFAOYSA-N 1 2 294.301 2.142 20 10 CECDLO Oc1cccc2c1C[N@H+](Cc1ccc(Cl)nn1)CC2 ZINC001142073360 806098023 /nfs/dbraw/zinc/09/80/23/806098023.db2.gz JMZDQZVUEOHQHP-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO Oc1cccc2c1C[N@@H+](Cc1ccc(Cl)nn1)CC2 ZINC001142073360 806098033 /nfs/dbraw/zinc/09/80/33/806098033.db2.gz JMZDQZVUEOHQHP-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)CCO1 ZINC000707134669 809881515 /nfs/dbraw/zinc/88/15/15/809881515.db2.gz JMWZIVIRXKIQSD-VIFPVBQESA-N 1 2 286.169 2.375 20 10 CECDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Br)CCO1 ZINC000707134669 809881510 /nfs/dbraw/zinc/88/15/10/809881510.db2.gz JMWZIVIRXKIQSD-VIFPVBQESA-N 1 2 286.169 2.375 20 10 CECDLO CN(C)CC(C)(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708444643 809931269 /nfs/dbraw/zinc/93/12/69/809931269.db2.gz SVWCNXRQYOEAJY-UHFFFAOYSA-N 1 2 258.312 2.100 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000388201523 813230619 /nfs/dbraw/zinc/23/06/19/813230619.db2.gz SETBJLIDWUZGBW-AMIZOPFISA-N 1 2 283.755 2.061 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000388201523 813230634 /nfs/dbraw/zinc/23/06/34/813230634.db2.gz SETBJLIDWUZGBW-AMIZOPFISA-N 1 2 283.755 2.061 20 10 CECDLO Cc1nnc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)[nH]1 ZINC000392476192 813305468 /nfs/dbraw/zinc/30/54/68/813305468.db2.gz SNECNECVGWHZMR-SSDOTTSWSA-N 1 2 266.732 2.323 20 10 CECDLO Cc1cc(C[N@@H+]2CCn3nccc3C2)ccc1N(C)C ZINC001139673150 814635071 /nfs/dbraw/zinc/63/50/71/814635071.db2.gz AHJJUNWOBAOTAX-UHFFFAOYSA-N 1 2 270.380 2.273 20 10 CECDLO Cc1cc(C[N@H+]2CCn3nccc3C2)ccc1N(C)C ZINC001139673150 814635077 /nfs/dbraw/zinc/63/50/77/814635077.db2.gz AHJJUNWOBAOTAX-UHFFFAOYSA-N 1 2 270.380 2.273 20 10 CECDLO C[C@H]1C[N@H+](Cc2c(O)cccc2F)CCCC1=O ZINC001137832014 815691008 /nfs/dbraw/zinc/69/10/08/815691008.db2.gz XBFLLEUTIRLWGD-JTQLQIEISA-N 1 2 251.301 2.332 20 10 CECDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCCC1=O ZINC001137832014 815691016 /nfs/dbraw/zinc/69/10/16/815691016.db2.gz XBFLLEUTIRLWGD-JTQLQIEISA-N 1 2 251.301 2.332 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2c(O)cccc2F)CCC1=O ZINC001137832977 815693297 /nfs/dbraw/zinc/69/32/97/815693297.db2.gz OIZCUQYNXLVCMP-SNVBAGLBSA-N 1 2 251.301 2.332 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2F)CCC1=O ZINC001137832977 815693301 /nfs/dbraw/zinc/69/33/01/815693301.db2.gz OIZCUQYNXLVCMP-SNVBAGLBSA-N 1 2 251.301 2.332 20 10 CECDLO O=C1CC[N@H+](Cc2c(O)cccc2F)CC[C@@H]1F ZINC001137833216 815693350 /nfs/dbraw/zinc/69/33/50/815693350.db2.gz XIDCJXXIIKDSQD-NSHDSACASA-N 1 2 255.264 2.034 20 10 CECDLO O=C1CC[N@@H+](Cc2c(O)cccc2F)CC[C@@H]1F ZINC001137833216 815693354 /nfs/dbraw/zinc/69/33/54/815693354.db2.gz XIDCJXXIIKDSQD-NSHDSACASA-N 1 2 255.264 2.034 20 10 CECDLO CN(C1CC1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060181 816181259 /nfs/dbraw/zinc/18/12/59/816181259.db2.gz ODAUKIYAXXXXBD-CQSZACIVSA-N 1 2 264.344 2.200 20 10 CECDLO CN(C1CC1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140060181 816181266 /nfs/dbraw/zinc/18/12/66/816181266.db2.gz ODAUKIYAXXXXBD-CQSZACIVSA-N 1 2 264.344 2.200 20 10 CECDLO C[N@@H+](Cc1ccc(Cl)cc1O)Cc1ncccn1 ZINC001140461834 816259782 /nfs/dbraw/zinc/25/97/82/816259782.db2.gz UTJQSBNIMZOOLW-UHFFFAOYSA-N 1 2 263.728 2.468 20 10 CECDLO C[N@H+](Cc1ccc(Cl)cc1O)Cc1ncccn1 ZINC001140461834 816259784 /nfs/dbraw/zinc/25/97/84/816259784.db2.gz UTJQSBNIMZOOLW-UHFFFAOYSA-N 1 2 263.728 2.468 20 10 CECDLO C[C@H]1COCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583025 816290622 /nfs/dbraw/zinc/29/06/22/816290622.db2.gz UHUQMNHFZPMHGB-SECBINFHSA-N 1 2 257.280 2.139 20 10 CECDLO C[C@H]1COCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583025 816290628 /nfs/dbraw/zinc/29/06/28/816290628.db2.gz UHUQMNHFZPMHGB-SECBINFHSA-N 1 2 257.280 2.139 20 10 CECDLO C[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CCCO1 ZINC001140582867 816291457 /nfs/dbraw/zinc/29/14/57/816291457.db2.gz OFQSZPHRGAECNF-VIFPVBQESA-N 1 2 257.280 2.281 20 10 CECDLO C[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CCCO1 ZINC001140582867 816291462 /nfs/dbraw/zinc/29/14/62/816291462.db2.gz OFQSZPHRGAECNF-VIFPVBQESA-N 1 2 257.280 2.281 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C[C@@]1(C)O ZINC001140583088 816292096 /nfs/dbraw/zinc/29/20/96/816292096.db2.gz VZBAJBXGVQRYKH-YMTOWFKASA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C[C@@]1(C)O ZINC001140583088 816292102 /nfs/dbraw/zinc/29/21/02/816292102.db2.gz VZBAJBXGVQRYKH-YMTOWFKASA-N 1 2 271.307 2.263 20 10 CECDLO O=C1CC[C@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)O1 ZINC001140584007 816293388 /nfs/dbraw/zinc/29/33/88/816293388.db2.gz BYRAJCYSUYHPNQ-HNNXBMFYSA-N 1 2 297.301 2.342 20 10 CECDLO O=C1CC[C@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)O1 ZINC001140584007 816293390 /nfs/dbraw/zinc/29/33/90/816293390.db2.gz BYRAJCYSUYHPNQ-HNNXBMFYSA-N 1 2 297.301 2.342 20 10 CECDLO Oc1cc(F)cc(F)c1CN1CCC([NH+]2CCC2)CC1 ZINC001140585769 816295340 /nfs/dbraw/zinc/29/53/40/816295340.db2.gz UEVLLJJCQLGXJA-UHFFFAOYSA-N 1 2 282.334 2.341 20 10 CECDLO CN1CCOc2cc(C[N@H+]3CCC(=O)[C@H](F)CC3)ccc21 ZINC001141140378 816484157 /nfs/dbraw/zinc/48/41/57/816484157.db2.gz LIGRUAIFTCJCQH-CYBMUJFWSA-N 1 2 292.354 2.018 20 10 CECDLO CN1CCOc2cc(C[N@@H+]3CCC(=O)[C@H](F)CC3)ccc21 ZINC001141140378 816484162 /nfs/dbraw/zinc/48/41/62/816484162.db2.gz LIGRUAIFTCJCQH-CYBMUJFWSA-N 1 2 292.354 2.018 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)CCCC1=O ZINC001142508499 816677687 /nfs/dbraw/zinc/67/76/87/816677687.db2.gz AYIGFWKKHFQYCB-SECBINFHSA-N 1 2 269.291 2.471 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)CCCC1=O ZINC001142508499 816677692 /nfs/dbraw/zinc/67/76/92/816677692.db2.gz AYIGFWKKHFQYCB-SECBINFHSA-N 1 2 269.291 2.471 20 10 CECDLO [NH3+]C[C@@]1(F)CCCCN(Cc2c(F)ccc(F)c2O)C1 ZINC001206352144 816807621 /nfs/dbraw/zinc/80/76/21/816807621.db2.gz PGDUFCXEKMFVDQ-AWEZNQCLSA-N 1 2 288.313 2.323 20 10 CECDLO CCOC(=O)[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](C)CC ZINC000187865100 369239118 /nfs/dbraw/zinc/23/91/18/369239118.db2.gz KZSYQQLQFCSVTC-XHDPSFHLSA-N 1 2 295.379 2.468 20 10 CECDLO CCOC(=O)[C@H]([NH2+]Cc1ccccc1O)[C@H](C)CC ZINC000187863487 369239790 /nfs/dbraw/zinc/23/97/90/369239790.db2.gz DEDJBZWAOAFMOE-BXUZGUMPSA-N 1 2 265.353 2.460 20 10 CECDLO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191215186 369690582 /nfs/dbraw/zinc/69/05/82/369690582.db2.gz QDYJKTWPJSHELR-ZJUUUORDSA-N 1 2 298.333 2.332 20 10 CECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000268838973 372248118 /nfs/dbraw/zinc/24/81/18/372248118.db2.gz MTBSYKMQTRBGFK-LBPRGKRZSA-N 1 2 288.307 2.191 20 10 CECDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000271879116 373202993 /nfs/dbraw/zinc/20/29/93/373202993.db2.gz UODSFTNXRYJYDO-CYBMUJFWSA-N 1 2 287.718 2.133 20 10 CECDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271879116 373203001 /nfs/dbraw/zinc/20/30/01/373203001.db2.gz UODSFTNXRYJYDO-CYBMUJFWSA-N 1 2 287.718 2.133 20 10 CECDLO C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1O)N(C)C ZINC000276969772 374363566 /nfs/dbraw/zinc/36/35/66/374363566.db2.gz UBDMWVIXOLRKBY-BDAKNGLRSA-N 1 2 258.312 2.271 20 10 CECDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(Cl)c1O)CCO2 ZINC000279702517 374957850 /nfs/dbraw/zinc/95/78/50/374957850.db2.gz RITZWNCYFBFARK-NHYWBVRUSA-N 1 2 297.782 2.425 20 10 CECDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cccc(Cl)c1O)CCO2 ZINC000279702517 374957858 /nfs/dbraw/zinc/95/78/58/374957858.db2.gz RITZWNCYFBFARK-NHYWBVRUSA-N 1 2 297.782 2.425 20 10 CECDLO C[S@@](=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CCC1 ZINC000281685045 375392856 /nfs/dbraw/zinc/39/28/56/375392856.db2.gz BAHORAOOBDRKHX-GOSISDBHSA-N 1 2 287.812 2.436 20 10 CECDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ncnn1C ZINC000294662999 378005032 /nfs/dbraw/zinc/00/50/32/378005032.db2.gz LOCSFSUBSGVBOY-ZETCQYMHSA-N 1 2 284.722 2.164 20 10 CECDLO O=C(CCn1cc[nH+]c1)NCc1c(O)ccc2c1CCCC2 ZINC000266448577 394665134 /nfs/dbraw/zinc/66/51/34/394665134.db2.gz CHORSPWXIPOOPP-UHFFFAOYSA-N 1 2 299.374 2.174 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000124849314 394839985 /nfs/dbraw/zinc/83/99/85/394839985.db2.gz WQJAUNNIOAANEU-SKDRFNHKSA-N 1 2 255.745 2.296 20 10 CECDLO COC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372798866 395047410 /nfs/dbraw/zinc/04/74/10/395047410.db2.gz GNOSYMPCCFFREF-LBPRGKRZSA-N 1 2 274.364 2.013 20 10 CECDLO COC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372798866 395047413 /nfs/dbraw/zinc/04/74/13/395047413.db2.gz GNOSYMPCCFFREF-LBPRGKRZSA-N 1 2 274.364 2.013 20 10 CECDLO C[C@@H](CCCO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293499265 395237633 /nfs/dbraw/zinc/23/76/33/395237633.db2.gz BHSYGKZXJYEQPW-QMMMGPOBSA-N 1 2 261.724 2.435 20 10 CECDLO CCCC[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)OC ZINC000154566451 261092861 /nfs/dbraw/zinc/09/28/61/261092861.db2.gz WHHNFODDGNJQLS-LBPRGKRZSA-N 1 2 269.316 2.353 20 10 CECDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1cc(Cl)ccc1O ZINC000186214046 262084724 /nfs/dbraw/zinc/08/47/24/262084724.db2.gz ROMWEEJVIWZENA-MRVPVSSYSA-N 1 2 266.732 2.025 20 10 CECDLO CCCOc1ccc(C[N@H+](C)[C@H](C)C(=O)OC)c(O)c1 ZINC000280748202 328236527 /nfs/dbraw/zinc/23/65/27/328236527.db2.gz DPOCVMUBOCGEFX-LLVKDONJSA-N 1 2 281.352 2.174 20 10 CECDLO CCCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)OC)c(O)c1 ZINC000280748202 328236529 /nfs/dbraw/zinc/23/65/29/328236529.db2.gz DPOCVMUBOCGEFX-LLVKDONJSA-N 1 2 281.352 2.174 20 10 CECDLO CCCN1CCC[N@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000189209347 329377098 /nfs/dbraw/zinc/37/70/98/329377098.db2.gz LOZSJIUSRQQCHL-UHFFFAOYSA-N 1 2 296.798 2.490 20 10 CECDLO CCCN1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000189209347 329377100 /nfs/dbraw/zinc/37/71/00/329377100.db2.gz LOZSJIUSRQQCHL-UHFFFAOYSA-N 1 2 296.798 2.490 20 10 CECDLO CCn1ncc(C[NH2+]Cc2c(O)cc(C)cc2Cl)n1 ZINC000527736060 330278799 /nfs/dbraw/zinc/27/87/99/330278799.db2.gz QFCYCBQTXRVMIK-UHFFFAOYSA-N 1 2 280.759 2.255 20 10 CECDLO COc1ccc2c(c1)CCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492855988 332416370 /nfs/dbraw/zinc/41/63/70/332416370.db2.gz AXZGYEUAWRPZRC-GORDUTHDSA-N 1 2 269.304 2.021 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000245918348 334224037 /nfs/dbraw/zinc/22/40/37/334224037.db2.gz GRVFWLADEFWJFN-AWEZNQCLSA-N 1 2 264.344 2.201 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCN2CCCC[C@H]2C1 ZINC000245918348 334224038 /nfs/dbraw/zinc/22/40/38/334224038.db2.gz GRVFWLADEFWJFN-AWEZNQCLSA-N 1 2 264.344 2.201 20 10 CECDLO CC[C@H]([NH2+]CC(F)(F)CO)c1ccc(C)cc1O ZINC000280128254 522570505 /nfs/dbraw/zinc/57/05/05/522570505.db2.gz OSPUVZKGLDUSOF-NSHDSACASA-N 1 2 259.296 2.369 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1O ZINC000043426176 518286788 /nfs/dbraw/zinc/28/67/88/518286788.db2.gz HEHKYMDNPCEWQI-GJZGRUSLSA-N 1 2 293.338 2.487 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1O ZINC000043426176 518286793 /nfs/dbraw/zinc/28/67/93/518286793.db2.gz HEHKYMDNPCEWQI-GJZGRUSLSA-N 1 2 293.338 2.487 20 10 CECDLO CC(C)c1nnc(C[N@H+](C)Cc2ccccc2O)[nH]1 ZINC000293052487 519861914 /nfs/dbraw/zinc/86/19/14/519861914.db2.gz FWWFCZKNVUKWLS-UHFFFAOYSA-N 1 2 260.341 2.266 20 10 CECDLO CC(C)c1nnc(C[N@@H+](C)Cc2ccccc2O)[nH]1 ZINC000293052487 519861916 /nfs/dbraw/zinc/86/19/16/519861916.db2.gz FWWFCZKNVUKWLS-UHFFFAOYSA-N 1 2 260.341 2.266 20 10 CECDLO CCOCc1nc([C@H](C)[NH2+]Cc2cc(C)ccc2O)no1 ZINC000290836888 520219194 /nfs/dbraw/zinc/21/91/94/520219194.db2.gz IAGIOFPFPJKPTG-NSHDSACASA-N 1 2 291.351 2.471 20 10 CECDLO CCN(CC)c1ccc(C[NH2+]Cc2cnn(C)n2)cc1F ZINC000290117598 520909040 /nfs/dbraw/zinc/90/90/40/520909040.db2.gz LTMKWLBKAGPZJG-UHFFFAOYSA-N 1 2 291.374 2.090 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000289586350 526329869 /nfs/dbraw/zinc/32/98/69/526329869.db2.gz KEWDFEHEZWOYBJ-JTQLQIEISA-N 1 2 275.270 2.387 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000289586350 526329874 /nfs/dbraw/zinc/32/98/74/526329874.db2.gz KEWDFEHEZWOYBJ-JTQLQIEISA-N 1 2 275.270 2.387 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@@]2(CCOC2)O1 ZINC000894629669 629565833 /nfs/dbraw/zinc/56/58/33/629565833.db2.gz MCJNWNWTFJDRBZ-MEBBXXQBSA-N 1 2 299.317 2.050 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@@]2(CCOC2)O1 ZINC000894629669 629565836 /nfs/dbraw/zinc/56/58/36/629565836.db2.gz MCJNWNWTFJDRBZ-MEBBXXQBSA-N 1 2 299.317 2.050 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC000801560056 631288579 /nfs/dbraw/zinc/28/85/79/631288579.db2.gz NQHVFNYBASFHOV-ZDUSSCGKSA-N 1 2 270.323 2.219 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC000801560056 631288581 /nfs/dbraw/zinc/28/85/81/631288581.db2.gz NQHVFNYBASFHOV-ZDUSSCGKSA-N 1 2 270.323 2.219 20 10 CECDLO CCOc1cccc(C[NH2+]C2(c3nc(C)no3)CC2)c1O ZINC000897897616 631966751 /nfs/dbraw/zinc/96/67/51/631966751.db2.gz CDBWTKZSSCFKBL-UHFFFAOYSA-N 1 2 289.335 2.261 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)cc1Cl ZINC000898187328 632100786 /nfs/dbraw/zinc/10/07/86/632100786.db2.gz FFVNTXIVCLNDAZ-NWDGAFQWSA-N 1 2 273.735 2.259 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)cc1Cl ZINC000898187328 632100790 /nfs/dbraw/zinc/10/07/90/632100790.db2.gz FFVNTXIVCLNDAZ-NWDGAFQWSA-N 1 2 273.735 2.259 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000809739595 632135578 /nfs/dbraw/zinc/13/55/78/632135578.db2.gz PCKVETCTYDDRMK-LLVKDONJSA-N 1 2 259.708 2.045 20 10 CECDLO COCC[C@@H](COC)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000810257266 632200207 /nfs/dbraw/zinc/20/02/07/632200207.db2.gz OUGOYVOVYPCUMN-KOLCDFICSA-N 1 2 289.322 2.373 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCCOCC1 ZINC000816493170 633399897 /nfs/dbraw/zinc/39/98/97/633399897.db2.gz RQVUOXDVGVFABU-UHFFFAOYSA-N 1 2 259.708 2.407 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCCOCC1 ZINC000816493170 633399901 /nfs/dbraw/zinc/39/99/01/633399901.db2.gz RQVUOXDVGVFABU-UHFFFAOYSA-N 1 2 259.708 2.407 20 10 CECDLO COC[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000816636823 633453583 /nfs/dbraw/zinc/45/35/83/633453583.db2.gz IXPCYKMJZKOBKB-SNVBAGLBSA-N 1 2 259.708 2.405 20 10 CECDLO COC[C@H]1CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000816636823 633453589 /nfs/dbraw/zinc/45/35/89/633453589.db2.gz IXPCYKMJZKOBKB-SNVBAGLBSA-N 1 2 259.708 2.405 20 10 CECDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H](C)CO ZINC000816653874 633457714 /nfs/dbraw/zinc/45/77/14/633457714.db2.gz LKJVRCKRANDPPO-QMMMGPOBSA-N 1 2 261.724 2.387 20 10 CECDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H](C)CO ZINC000816653874 633457716 /nfs/dbraw/zinc/45/77/16/633457716.db2.gz LKJVRCKRANDPPO-QMMMGPOBSA-N 1 2 261.724 2.387 20 10 CECDLO CCN(CC)c1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC000900260354 633624127 /nfs/dbraw/zinc/62/41/27/633624127.db2.gz DDKRWBWLRJBNOW-UHFFFAOYSA-N 1 2 286.379 2.115 20 10 CECDLO CCn1c[nH+]cc1/C=C1/SC(=S)N(CC)C1=O ZINC000901415092 634100097 /nfs/dbraw/zinc/10/00/97/634100097.db2.gz CTOMQCNNUVINJW-WEVVVXLNSA-N 1 2 267.379 2.124 20 10 CECDLO C[C@H]([NH2+]Cc1cn(C)cn1)c1cc(F)cc(F)c1O ZINC000903352987 635081608 /nfs/dbraw/zinc/08/16/08/635081608.db2.gz YAXOTVWAQHWHGS-QMMMGPOBSA-N 1 2 267.279 2.255 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+](C1CC1)C1COC1 ZINC000824472231 635433678 /nfs/dbraw/zinc/43/36/78/635433678.db2.gz NRJVRMFYPSLPQX-UHFFFAOYSA-N 1 2 253.729 2.409 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+](C1CC1)C1COC1 ZINC000824472231 635433683 /nfs/dbraw/zinc/43/36/83/635433683.db2.gz NRJVRMFYPSLPQX-UHFFFAOYSA-N 1 2 253.729 2.409 20 10 CECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825745377 635706103 /nfs/dbraw/zinc/70/61/03/635706103.db2.gz ZUKWEIROZXBPON-SECBINFHSA-N 1 2 271.744 2.347 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825745377 635706107 /nfs/dbraw/zinc/70/61/07/635706107.db2.gz ZUKWEIROZXBPON-SECBINFHSA-N 1 2 271.744 2.347 20 10 CECDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)c2ncnn21 ZINC000826888585 635871998 /nfs/dbraw/zinc/87/19/98/635871998.db2.gz IWSBJGTVOUHZMX-KCJUWKMLSA-N 1 2 278.743 2.433 20 10 CECDLO C[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@H]1COCCO1 ZINC000827140092 636232944 /nfs/dbraw/zinc/23/29/44/636232944.db2.gz HRGZVZMZLOMLEG-VIFPVBQESA-N 1 2 289.734 2.032 20 10 CECDLO C[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@H]1COCCO1 ZINC000827140092 636232949 /nfs/dbraw/zinc/23/29/49/636232949.db2.gz HRGZVZMZLOMLEG-VIFPVBQESA-N 1 2 289.734 2.032 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)C1(CO)CCC1 ZINC000827903982 636456550 /nfs/dbraw/zinc/45/65/50/636456550.db2.gz RYGCRDXQQIEBMX-UHFFFAOYSA-N 1 2 255.745 2.392 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)C1(CO)CCC1 ZINC000827903982 636456552 /nfs/dbraw/zinc/45/65/52/636456552.db2.gz RYGCRDXQQIEBMX-UHFFFAOYSA-N 1 2 255.745 2.392 20 10 CECDLO C[C@H](CC(=O)N[C@@H](C)c1ccccc1O)n1cc[nH+]c1 ZINC000827960489 636470841 /nfs/dbraw/zinc/47/08/41/636470841.db2.gz PWLZQQSKUFKFQT-NEPJUHHUSA-N 1 2 273.336 2.417 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000876693963 650403605 /nfs/dbraw/zinc/40/36/05/650403605.db2.gz LPOBFSMHFMXALC-NSHDSACASA-N 1 2 294.305 2.099 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000876693963 650403607 /nfs/dbraw/zinc/40/36/07/650403607.db2.gz LPOBFSMHFMXALC-NSHDSACASA-N 1 2 294.305 2.099 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1O ZINC000166462303 639466011 /nfs/dbraw/zinc/46/60/11/639466011.db2.gz VTBQXRCTSKGYLT-XPTSAGLGSA-N 1 2 297.782 2.451 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1O ZINC000166462303 639466017 /nfs/dbraw/zinc/46/60/17/639466017.db2.gz VTBQXRCTSKGYLT-XPTSAGLGSA-N 1 2 297.782 2.451 20 10 CECDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@H](CF)C2)cc1 ZINC000840955450 639600202 /nfs/dbraw/zinc/60/02/02/639600202.db2.gz VCWDLTBVKCQLCJ-MJSXRHKHSA-N 1 2 278.371 2.436 20 10 CECDLO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@H](CF)C2)cc1 ZINC000840955450 639600209 /nfs/dbraw/zinc/60/02/09/639600209.db2.gz VCWDLTBVKCQLCJ-MJSXRHKHSA-N 1 2 278.371 2.436 20 10 CECDLO CN(C)c1ccc2c(c1)OCCN2Cc1ccc(N)[nH+]c1 ZINC000843065055 640265418 /nfs/dbraw/zinc/26/54/18/640265418.db2.gz CEQKEJYTINYLSH-UHFFFAOYSA-N 1 2 284.363 2.129 20 10 CECDLO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CO1 ZINC000843432998 640429450 /nfs/dbraw/zinc/42/94/50/640429450.db2.gz TUZPDRZHDCLMPA-XCBNKYQSSA-N 1 2 259.708 2.452 20 10 CECDLO CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)[C@@H](O)C(F)(F)F ZINC000877126454 650585365 /nfs/dbraw/zinc/58/53/65/650585365.db2.gz KWVNPEURDKKJLG-LDYMZIIASA-N 1 2 299.239 2.462 20 10 CECDLO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877145758 650594058 /nfs/dbraw/zinc/59/40/58/650594058.db2.gz BVWUZNQZRTXMMO-DTWKUNHWSA-N 1 2 286.322 2.063 20 10 CECDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877145760 650594068 /nfs/dbraw/zinc/59/40/68/650594068.db2.gz BVWUZNQZRTXMMO-RKDXNWHRSA-N 1 2 286.322 2.063 20 10 CECDLO COC(=O)[C@H]([NH2+]Cc1cc(C)ccc1O)C(C)(C)C ZINC000083482118 642161973 /nfs/dbraw/zinc/16/19/73/642161973.db2.gz OMJZDVKCVHIIKD-ZDUSSCGKSA-N 1 2 265.353 2.378 20 10 CECDLO Cc1noc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000848927611 642198268 /nfs/dbraw/zinc/19/82/68/642198268.db2.gz JCCWTEVLFZJNKM-UHFFFAOYSA-N 1 2 274.368 2.384 20 10 CECDLO Cc1noc(C[N@H+](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000848927611 642198271 /nfs/dbraw/zinc/19/82/71/642198271.db2.gz JCCWTEVLFZJNKM-UHFFFAOYSA-N 1 2 274.368 2.384 20 10 CECDLO Oc1c(C[NH+]2CC([C@H]3CCOC3)C2)ccc(F)c1F ZINC000877488247 650746335 /nfs/dbraw/zinc/74/63/35/650746335.db2.gz CYWCDZWZPKKHBK-JTQLQIEISA-N 1 2 269.291 2.139 20 10 CECDLO CC(=O)N1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756365759 644636179 /nfs/dbraw/zinc/63/61/79/644636179.db2.gz ZMTJRHUGSGUMMI-SECBINFHSA-N 1 2 298.333 2.332 20 10 CECDLO CCc1nncn1CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756618432 644674529 /nfs/dbraw/zinc/67/45/29/644674529.db2.gz BPPVSSRPRSKZBG-SECBINFHSA-N 1 2 296.321 2.175 20 10 CECDLO C[C@H]([NH2+]CCc1cnccn1)c1cc(F)cc(F)c1O ZINC000756787076 644692013 /nfs/dbraw/zinc/69/20/13/644692013.db2.gz NXFFABMVXLXVIS-VIFPVBQESA-N 1 2 279.290 2.354 20 10 CECDLO CC[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cccc(Cl)c1O ZINC000858549188 645198312 /nfs/dbraw/zinc/19/83/12/645198312.db2.gz UNHMCWKLSXZDRE-BXUZGUMPSA-N 1 2 298.814 2.153 20 10 CECDLO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cccc(Cl)c1O ZINC000858551586 645199331 /nfs/dbraw/zinc/19/93/31/645199331.db2.gz KABPOSSDUACCHQ-YNEHKIRRSA-N 1 2 285.771 2.236 20 10 CECDLO COc1ccc(N(C)Cc2ccc(N)[nH+]c2)cc1OC ZINC000843064365 645434483 /nfs/dbraw/zinc/43/44/83/645434483.db2.gz AKXJIDMEZDIOQV-UHFFFAOYSA-N 1 2 273.336 2.317 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000770304366 646378122 /nfs/dbraw/zinc/37/81/22/646378122.db2.gz MLNIWOYNVCCFIS-GJZGRUSLSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000770304366 646378139 /nfs/dbraw/zinc/37/81/39/646378139.db2.gz MLNIWOYNVCCFIS-GJZGRUSLSA-N 1 2 297.782 2.425 20 10 CECDLO CCOC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000862502177 646482315 /nfs/dbraw/zinc/48/23/15/646482315.db2.gz CQIURWSZJSLOMX-AWEZNQCLSA-N 1 2 296.386 2.129 20 10 CECDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000862502177 646482323 /nfs/dbraw/zinc/48/23/23/646482323.db2.gz CQIURWSZJSLOMX-AWEZNQCLSA-N 1 2 296.386 2.129 20 10 CECDLO C[C@@H](NC(=O)CCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000773005962 646695037 /nfs/dbraw/zinc/69/50/37/646695037.db2.gz DTEVNPFQJDQEHZ-CYBMUJFWSA-N 1 2 286.379 2.217 20 10 CECDLO CC[C@@H]1[NH2+]CC[C@H]1NCc1cccc(Br)c1O ZINC000863482298 646739599 /nfs/dbraw/zinc/73/95/99/646739599.db2.gz YELJAZQGMPSNBQ-NWDGAFQWSA-N 1 2 299.212 2.385 20 10 CECDLO CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000863482298 646739605 /nfs/dbraw/zinc/73/96/05/646739605.db2.gz YELJAZQGMPSNBQ-NWDGAFQWSA-N 1 2 299.212 2.385 20 10 CECDLO C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[NH2+]1 ZINC000863484979 646740303 /nfs/dbraw/zinc/74/03/03/646740303.db2.gz QYBXZOCMPDWUHV-KWQFWETISA-N 1 2 299.758 2.184 20 10 CECDLO CCC[N@H+](CC(=O)NC)Cc1cc(Cl)cc(F)c1O ZINC000775664106 646977516 /nfs/dbraw/zinc/97/75/16/646977516.db2.gz SDZKOOTYBJTJKH-UHFFFAOYSA-N 1 2 288.750 2.143 20 10 CECDLO CCC[N@@H+](CC(=O)NC)Cc1cc(Cl)cc(F)c1O ZINC000775664106 646977520 /nfs/dbraw/zinc/97/75/20/646977520.db2.gz SDZKOOTYBJTJKH-UHFFFAOYSA-N 1 2 288.750 2.143 20 10 CECDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1cccc(C)c1O ZINC000775741366 646986063 /nfs/dbraw/zinc/98/60/63/646986063.db2.gz ODVPPQVSGGZNSL-AWEZNQCLSA-N 1 2 295.379 2.099 20 10 CECDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1cccc(C)c1O ZINC000775741366 646986065 /nfs/dbraw/zinc/98/60/65/646986065.db2.gz ODVPPQVSGGZNSL-AWEZNQCLSA-N 1 2 295.379 2.099 20 10 CECDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccccc1O ZINC000783524553 647724618 /nfs/dbraw/zinc/72/46/18/647724618.db2.gz OTVNCONICZMHTG-LBPRGKRZSA-N 1 2 287.363 2.389 20 10 CECDLO COC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000784668569 647873550 /nfs/dbraw/zinc/87/35/50/647873550.db2.gz QLZGUCKJTKYALC-TZMCWYRMSA-N 1 2 296.386 2.127 20 10 CECDLO COC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000784668569 647873560 /nfs/dbraw/zinc/87/35/60/647873560.db2.gz QLZGUCKJTKYALC-TZMCWYRMSA-N 1 2 296.386 2.127 20 10 CECDLO CCOc1ccc(O)c(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)c1 ZINC000792192392 648622266 /nfs/dbraw/zinc/62/22/66/648622266.db2.gz NSNZZGXENNLVQK-RYUDHWBXSA-N 1 2 297.420 2.132 20 10 CECDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1=O ZINC000127210646 651135714 /nfs/dbraw/zinc/13/57/14/651135714.db2.gz ACBVJIXORQTBLR-INIZCTEOSA-N 1 2 288.391 2.424 20 10 CECDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@H]1CCOC1=O ZINC000127210646 651135717 /nfs/dbraw/zinc/13/57/17/651135717.db2.gz ACBVJIXORQTBLR-INIZCTEOSA-N 1 2 288.391 2.424 20 10 CECDLO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000883355818 652440489 /nfs/dbraw/zinc/44/04/89/652440489.db2.gz YMHBIUJUFSLHBA-GXSJLCMTSA-N 1 2 270.323 2.415 20 10 CECDLO CC(C)(O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715745040 814990543 /nfs/dbraw/zinc/99/05/43/814990543.db2.gz NFNAEAUTORUATE-UHFFFAOYSA-N 1 2 292.148 2.154 20 10 CECDLO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137837622 809780962 /nfs/dbraw/zinc/78/09/62/809780962.db2.gz NYPSEDPXZAKZPZ-AWEZNQCLSA-N 1 2 294.370 2.412 20 10 CECDLO CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137837622 809780966 /nfs/dbraw/zinc/78/09/66/809780966.db2.gz NYPSEDPXZAKZPZ-AWEZNQCLSA-N 1 2 294.370 2.412 20 10 CECDLO CCCN1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708516730 809944194 /nfs/dbraw/zinc/94/41/94/809944194.db2.gz KXAGALSYMMIXNF-GFCCVEGCSA-N 1 2 270.323 2.244 20 10 CECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]([NH3+])C(F)F ZINC001121946105 815369818 /nfs/dbraw/zinc/36/98/18/815369818.db2.gz MMCFNRRNHOBYIO-ZDUSSCGKSA-N 1 2 299.365 2.084 20 10 CECDLO O=C1CC[N@H+](Cc2cccc(F)c2O)CC[C@@H]1F ZINC001138124089 815734907 /nfs/dbraw/zinc/73/49/07/815734907.db2.gz YYRNKMLNDLAJDJ-JTQLQIEISA-N 1 2 255.264 2.034 20 10 CECDLO O=C1CC[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1F ZINC001138124089 815734910 /nfs/dbraw/zinc/73/49/10/815734910.db2.gz YYRNKMLNDLAJDJ-JTQLQIEISA-N 1 2 255.264 2.034 20 10 CECDLO CC(=O)OC1C[NH+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138256729 815756573 /nfs/dbraw/zinc/75/65/73/815756573.db2.gz IFWIAGPUCMGNNT-UHFFFAOYSA-N 1 2 272.348 2.234 20 10 CECDLO CCOC(=O)C1C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140466959 816262460 /nfs/dbraw/zinc/26/24/60/816262460.db2.gz NPYSWTBRXTZIPX-UHFFFAOYSA-N 1 2 269.728 2.041 20 10 CECDLO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140582066 816291203 /nfs/dbraw/zinc/29/12/03/816291203.db2.gz BDSCGPRTSVUOQL-VHSXEESVSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140582066 816291207 /nfs/dbraw/zinc/29/12/07/816291207.db2.gz BDSCGPRTSVUOQL-VHSXEESVSA-N 1 2 271.307 2.263 20 10 CECDLO O=c1[nH]ccc2c1CC[N@@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140584274 816292559 /nfs/dbraw/zinc/29/25/59/816292559.db2.gz LJGZITQGCJGUHO-UHFFFAOYSA-N 1 2 292.285 2.329 20 10 CECDLO O=c1[nH]ccc2c1CC[N@H+](Cc1c(O)cc(F)cc1F)C2 ZINC001140584274 816292565 /nfs/dbraw/zinc/29/25/65/816292565.db2.gz LJGZITQGCJGUHO-UHFFFAOYSA-N 1 2 292.285 2.329 20 10 CECDLO COC(=O)CC[N@H+](Cc1c(O)cc(F)cc1F)C1CC1 ZINC001140585357 816294414 /nfs/dbraw/zinc/29/44/14/816294414.db2.gz GPJJZBMSSSWPKX-UHFFFAOYSA-N 1 2 285.290 2.198 20 10 CECDLO COC(=O)CC[N@@H+](Cc1c(O)cc(F)cc1F)C1CC1 ZINC001140585357 816294418 /nfs/dbraw/zinc/29/44/18/816294418.db2.gz GPJJZBMSSSWPKX-UHFFFAOYSA-N 1 2 285.290 2.198 20 10 CECDLO CCCCOC1C[NH+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028628 816450421 /nfs/dbraw/zinc/45/04/21/816450421.db2.gz XOEHDVSHJZORPE-UHFFFAOYSA-N 1 2 295.379 2.410 20 10 CECDLO c1c(C[N@@H+]2CCO[C@H]3C[C@H]32)cc2c3c1CCCN3CCC2 ZINC001141077855 816471917 /nfs/dbraw/zinc/47/19/17/816471917.db2.gz CKELBMLKOAFBNR-SJORKVTESA-N 1 2 284.403 2.359 20 10 CECDLO c1c(C[N@H+]2CCO[C@H]3C[C@H]32)cc2c3c1CCCN3CCC2 ZINC001141077855 816471924 /nfs/dbraw/zinc/47/19/24/816471924.db2.gz CKELBMLKOAFBNR-SJORKVTESA-N 1 2 284.403 2.359 20 10 CECDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)C(=O)NC(C)(C)C ZINC000135761279 366474028 /nfs/dbraw/zinc/47/40/28/366474028.db2.gz IMGHVVWGPISACA-VIFPVBQESA-N 1 2 284.787 2.438 20 10 CECDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179894038 368357338 /nfs/dbraw/zinc/35/73/38/368357338.db2.gz MHHAVFGDDMERFO-LBPRGKRZSA-N 1 2 267.300 2.059 20 10 CECDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000179894038 368357339 /nfs/dbraw/zinc/35/73/39/368357339.db2.gz MHHAVFGDDMERFO-LBPRGKRZSA-N 1 2 267.300 2.059 20 10 CECDLO O=C1C[N@@H+](Cc2cccc(Cl)c2O)[C@H]2CCCC[C@H]2N1 ZINC000179921996 368358659 /nfs/dbraw/zinc/35/86/59/368358659.db2.gz KRHPVMARWYUDDK-OLZOCXBDSA-N 1 2 294.782 2.289 20 10 CECDLO O=C1C[N@H+](Cc2cccc(Cl)c2O)[C@H]2CCCC[C@H]2N1 ZINC000179921996 368358662 /nfs/dbraw/zinc/35/86/62/368358662.db2.gz KRHPVMARWYUDDK-OLZOCXBDSA-N 1 2 294.782 2.289 20 10 CECDLO COc1ccc(O)c(C[N@H+](C)CC(=O)OC(C)(C)C)c1 ZINC000179945755 368360477 /nfs/dbraw/zinc/36/04/77/368360477.db2.gz ILJCFLVVXYFTAL-UHFFFAOYSA-N 1 2 281.352 2.174 20 10 CECDLO COc1ccc(O)c(C[N@@H+](C)CC(=O)OC(C)(C)C)c1 ZINC000179945755 368360480 /nfs/dbraw/zinc/36/04/80/368360480.db2.gz ILJCFLVVXYFTAL-UHFFFAOYSA-N 1 2 281.352 2.174 20 10 CECDLO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187913394 369248878 /nfs/dbraw/zinc/24/88/78/369248878.db2.gz GUHHQVJEYKRRLL-KEJSXXJDSA-N 1 2 277.336 2.088 20 10 CECDLO CCOC(=O)[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](C)CC ZINC000187870764 369240262 /nfs/dbraw/zinc/24/02/62/369240262.db2.gz JXCIEGJQKHQGIH-FZMZJTMJSA-N 1 2 295.379 2.468 20 10 CECDLO Oc1cc2c(cc1C[N@@H+]1CCC=C(F)C1)OCO2 ZINC000274478632 373937091 /nfs/dbraw/zinc/93/70/91/373937091.db2.gz LYXAOAVBJWZOJX-UHFFFAOYSA-N 1 2 251.257 2.180 20 10 CECDLO Oc1cc2c(cc1C[N@H+]1CCC=C(F)C1)OCO2 ZINC000274478632 373937096 /nfs/dbraw/zinc/93/70/96/373937096.db2.gz LYXAOAVBJWZOJX-UHFFFAOYSA-N 1 2 251.257 2.180 20 10 CECDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c(O)c1 ZINC000275745776 374220789 /nfs/dbraw/zinc/22/07/89/374220789.db2.gz REHAIFVPOQNDRA-MNOVXSKESA-N 1 2 260.341 2.241 20 10 CECDLO CCC(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000373224177 374299444 /nfs/dbraw/zinc/29/94/44/374299444.db2.gz PXIVSABFMCCCLR-UHFFFAOYSA-N 1 2 296.798 2.490 20 10 CECDLO CCCCN(Cc1ccccc1O)C(=O)Cn1cc[nH+]c1 ZINC000282516959 375505400 /nfs/dbraw/zinc/50/54/00/375505400.db2.gz PBRWSKHXEPICPS-UHFFFAOYSA-N 1 2 287.363 2.418 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000294706582 378014058 /nfs/dbraw/zinc/01/40/58/378014058.db2.gz OMUXVOCNVGYDRY-WCBMZHEXSA-N 1 2 273.735 2.435 20 10 CECDLO CN(Cc1ccccc1O)c1nc[nH+]c(N)c1Cl ZINC000302855278 379464075 /nfs/dbraw/zinc/46/40/75/379464075.db2.gz RNKDZWHUDCVSCP-UHFFFAOYSA-N 1 2 264.716 2.054 20 10 CECDLO CN(Cc1ccccc1O)c1[nH+]cnc(N)c1Cl ZINC000302855278 379464086 /nfs/dbraw/zinc/46/40/86/379464086.db2.gz RNKDZWHUDCVSCP-UHFFFAOYSA-N 1 2 264.716 2.054 20 10 CECDLO CN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2cc(F)ccc21 ZINC000492808602 380695989 /nfs/dbraw/zinc/69/59/89/380695989.db2.gz DGGAQZLTOZXDCZ-HYXAFXHYSA-N 1 2 286.310 2.045 20 10 CECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@H](C)C2)c1O ZINC000184676723 262026133 /nfs/dbraw/zinc/02/61/33/262026133.db2.gz BXVAPMYPBKIWHZ-SECBINFHSA-N 1 2 271.744 2.275 20 10 CECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@H](C)C2)c1O ZINC000184676723 262026134 /nfs/dbraw/zinc/02/61/34/262026134.db2.gz BXVAPMYPBKIWHZ-SECBINFHSA-N 1 2 271.744 2.275 20 10 CECDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271200515 394752754 /nfs/dbraw/zinc/75/27/54/394752754.db2.gz PSPXTASXTPLJFS-FKANQGBASA-N 1 2 298.427 2.233 20 10 CECDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271200515 394752756 /nfs/dbraw/zinc/75/27/56/394752756.db2.gz PSPXTASXTPLJFS-FKANQGBASA-N 1 2 298.427 2.233 20 10 CECDLO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(F)c(F)c1O ZINC000293741343 263148441 /nfs/dbraw/zinc/14/84/41/263148441.db2.gz PFRSFEIKXLXHCP-SECBINFHSA-N 1 2 296.321 2.082 20 10 CECDLO Cn1nccc1C[NH2+]Cc1cccc(Cl)c1O ZINC000124700564 329573023 /nfs/dbraw/zinc/57/30/23/329573023.db2.gz NSUOTIYZHJIKCH-UHFFFAOYSA-N 1 2 251.717 2.069 20 10 CECDLO CCCn1ncnc1C[N@H+](C)Cc1ccccc1O ZINC000279091766 519891768 /nfs/dbraw/zinc/89/17/68/519891768.db2.gz NOUNJSMUEJOWMQ-UHFFFAOYSA-N 1 2 260.341 2.026 20 10 CECDLO CCCn1ncnc1C[N@@H+](C)Cc1ccccc1O ZINC000279091766 519891772 /nfs/dbraw/zinc/89/17/72/519891772.db2.gz NOUNJSMUEJOWMQ-UHFFFAOYSA-N 1 2 260.341 2.026 20 10 CECDLO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2nc(C)no2)c1 ZINC000729684201 574490600 /nfs/dbraw/zinc/49/06/00/574490600.db2.gz LTLRCQRXLAMGJD-VIFPVBQESA-N 1 2 277.324 2.333 20 10 CECDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC000733328465 574664269 /nfs/dbraw/zinc/66/42/69/574664269.db2.gz RRZHMUUBGVDTLJ-VIFPVBQESA-N 1 2 278.331 2.434 20 10 CECDLO CCC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)OCC ZINC000743474272 575105009 /nfs/dbraw/zinc/10/50/09/575105009.db2.gz JRPVEXJUPRBWQS-CQSZACIVSA-N 1 2 277.364 2.443 20 10 CECDLO Cc1ccn2cc(CNC(=O)Cc3ccc(N)cc3)[nH+]c2c1 ZINC000746319387 575154429 /nfs/dbraw/zinc/15/44/29/575154429.db2.gz WVPQGYTWNKFBMY-UHFFFAOYSA-N 1 2 294.358 2.084 20 10 CECDLO C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)n1cc[nH+]c1 ZINC000752510097 575311214 /nfs/dbraw/zinc/31/12/14/575311214.db2.gz RKYDPYRIELGHSK-CYBMUJFWSA-N 1 2 286.379 2.217 20 10 CECDLO COC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893877977 629027222 /nfs/dbraw/zinc/02/72/22/629027222.db2.gz OLYFFZFMSKIUFU-UHFFFAOYSA-N 1 2 285.290 2.055 20 10 CECDLO COC(OC)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895793401 630348074 /nfs/dbraw/zinc/34/80/74/630348074.db2.gz HAVSQLRJNGRCTJ-ZETCQYMHSA-N 1 2 277.723 2.282 20 10 CECDLO Cc1cc(N(C)C)ccc1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000806870323 631784662 /nfs/dbraw/zinc/78/46/62/631784662.db2.gz PDLGMRHCROTUAS-UHFFFAOYSA-N 1 2 286.379 2.033 20 10 CECDLO C[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1ccc(N(C)C)cc1 ZINC000807274222 631826154 /nfs/dbraw/zinc/82/61/54/631826154.db2.gz LPGNEFTWEGOZKO-LBPRGKRZSA-N 1 2 286.379 2.286 20 10 CECDLO Cc1nonc1C[NH2+]Cc1c(O)cccc1Cl ZINC000809744752 632138395 /nfs/dbraw/zinc/13/83/95/632138395.db2.gz BGIXYNUZPJAVBO-UHFFFAOYSA-N 1 2 253.689 2.027 20 10 CECDLO Cn1cc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816537051 633409457 /nfs/dbraw/zinc/40/94/57/633409457.db2.gz QZUFARMQUANOMO-UHFFFAOYSA-N 1 2 283.734 2.251 20 10 CECDLO C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817950029 633795275 /nfs/dbraw/zinc/79/52/75/633795275.db2.gz QHEMOVVKBSBLIT-WDEREUQCSA-N 1 2 279.340 2.093 20 10 CECDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C1=CC(=O)CS1 ZINC000823310330 635134747 /nfs/dbraw/zinc/13/47/47/635134747.db2.gz BLSTZAGYBRFSPR-LBPRGKRZSA-N 1 2 293.392 2.495 20 10 CECDLO O=C1CC[C@H]2C[N@H+](Cc3cccc(Cl)c3O)CC[C@@H]2N1 ZINC000827133049 636228832 /nfs/dbraw/zinc/22/88/32/636228832.db2.gz QVWZBCKVDCVYCV-GWCFXTLKSA-N 1 2 294.782 2.146 20 10 CECDLO O=C1CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CC[C@@H]2N1 ZINC000827133049 636228833 /nfs/dbraw/zinc/22/88/33/636228833.db2.gz QVWZBCKVDCVYCV-GWCFXTLKSA-N 1 2 294.782 2.146 20 10 CECDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1COCCO1 ZINC000827141559 636233339 /nfs/dbraw/zinc/23/33/39/636233339.db2.gz UKNXCXWXBKELKG-NSHDSACASA-N 1 2 289.734 2.032 20 10 CECDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H]1COCCO1 ZINC000827141559 636233346 /nfs/dbraw/zinc/23/33/46/636233346.db2.gz UKNXCXWXBKELKG-NSHDSACASA-N 1 2 289.734 2.032 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CCCc3[nH]ncc3C2)c1 ZINC000828013374 636486740 /nfs/dbraw/zinc/48/67/40/636486740.db2.gz BSZQXKBCHVJXHA-UHFFFAOYSA-N 1 2 257.337 2.372 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CCCc3[nH]ncc3C2)c1 ZINC000828013374 636486743 /nfs/dbraw/zinc/48/67/43/636486743.db2.gz BSZQXKBCHVJXHA-UHFFFAOYSA-N 1 2 257.337 2.372 20 10 CECDLO C[C@@H]1c2nncn2CC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835050957 638039916 /nfs/dbraw/zinc/03/99/16/638039916.db2.gz UGWHANUYIITNFI-ZRUQZJFASA-N 1 2 297.406 2.434 20 10 CECDLO C[C@@H]1c2nncn2CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835050957 638039926 /nfs/dbraw/zinc/03/99/26/638039926.db2.gz UGWHANUYIITNFI-ZRUQZJFASA-N 1 2 297.406 2.434 20 10 CECDLO Cc1ccc2[nH+]cc(C=C3SC(=S)NC3=O)n2c1 ZINC000151375835 639287005 /nfs/dbraw/zinc/28/70/05/639287005.db2.gz BFICMHCXAPIUEW-RUDMXATFSA-N 1 2 275.358 2.132 20 10 CECDLO C[C@@H](O)C[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000164498783 639378644 /nfs/dbraw/zinc/37/86/44/639378644.db2.gz JRKIYGVWWQLXSL-DTWKUNHWSA-N 1 2 288.185 2.404 20 10 CECDLO COC(=O)N1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840911504 639582497 /nfs/dbraw/zinc/58/24/97/639582497.db2.gz DSNCXEDQXUCBRO-UHFFFAOYSA-N 1 2 298.770 2.238 20 10 CECDLO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000840939290 639593487 /nfs/dbraw/zinc/59/34/87/639593487.db2.gz MPAFADJQXQXURI-GFCCVEGCSA-N 1 2 273.384 2.040 20 10 CECDLO C[C@@H](CC(=O)N(C)Cc1ccccc1O)n1cc[nH+]c1 ZINC000845790835 641091448 /nfs/dbraw/zinc/09/14/48/641091448.db2.gz DMPORNSHBIRJLB-LBPRGKRZSA-N 1 2 273.336 2.198 20 10 CECDLO COc1ccc(N(C)CC[N@H+](C)Cc2[nH]ncc2C)cc1 ZINC000846051056 641164855 /nfs/dbraw/zinc/16/48/55/641164855.db2.gz BEGPSDPJDGTGLD-UHFFFAOYSA-N 1 2 288.395 2.295 20 10 CECDLO COc1ccc(N(C)CC[N@@H+](C)Cc2[nH]ncc2C)cc1 ZINC000846051056 641164864 /nfs/dbraw/zinc/16/48/64/641164864.db2.gz BEGPSDPJDGTGLD-UHFFFAOYSA-N 1 2 288.395 2.295 20 10 CECDLO CCc1cccc(C[NH+]2CC(OC(F)F)C2)c1O ZINC000848917412 642191093 /nfs/dbraw/zinc/19/10/93/642191093.db2.gz SSCVEPNWGDCNAN-UHFFFAOYSA-N 1 2 257.280 2.378 20 10 CECDLO [NH2+]=C(NCc1cc(Cl)cc(Cl)c1O)NC1CC1 ZINC000849028661 642241341 /nfs/dbraw/zinc/24/13/41/642241341.db2.gz UATYWAUKNJBLFH-UHFFFAOYSA-N 1 2 274.151 2.475 20 10 CECDLO Oc1c(C[NH2+][C@H]2CCn3ccnc32)ccc(F)c1F ZINC000877556752 650786919 /nfs/dbraw/zinc/78/69/19/650786919.db2.gz JDPMVVGKTSOURK-JTQLQIEISA-N 1 2 265.263 2.102 20 10 CECDLO C[C@@H](O)c1ncc(C[N@@H+]2Cc3cccc(O)c3C2)s1 ZINC000877702586 650859965 /nfs/dbraw/zinc/85/99/65/650859965.db2.gz CNHVWMHWXMQBNF-SECBINFHSA-N 1 2 276.361 2.418 20 10 CECDLO C[C@@H](O)c1ncc(C[N@H+]2Cc3cccc(O)c3C2)s1 ZINC000877702586 650859966 /nfs/dbraw/zinc/85/99/66/650859966.db2.gz CNHVWMHWXMQBNF-SECBINFHSA-N 1 2 276.361 2.418 20 10 CECDLO C[NH2+]C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000853249365 643722269 /nfs/dbraw/zinc/72/22/69/643722269.db2.gz QCLAAEYIPKWGDN-ZETCQYMHSA-N 1 2 263.168 2.397 20 10 CECDLO Cc1nc(NCc2ccc(N3CCC(O)CC3)cc2)cc[nH+]1 ZINC000853956617 643955838 /nfs/dbraw/zinc/95/58/38/643955838.db2.gz XOBVFZMOBLLTHY-UHFFFAOYSA-N 1 2 298.390 2.358 20 10 CECDLO C[C@H]([NH2+]Cc1nccn1C)c1cc(F)cc(F)c1O ZINC000756539717 644661274 /nfs/dbraw/zinc/66/12/74/644661274.db2.gz SIKLBMXVPVUUFF-QMMMGPOBSA-N 1 2 267.279 2.255 20 10 CECDLO C[C@@H](CCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756617649 644674803 /nfs/dbraw/zinc/67/48/03/644674803.db2.gz JRUHXBIIIRDWKG-IUCAKERBSA-N 1 2 259.296 2.340 20 10 CECDLO C[C@@H](CCCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756648727 644678996 /nfs/dbraw/zinc/67/89/96/644678996.db2.gz YZVBRNKYNGMEKS-IUCAKERBSA-N 1 2 259.296 2.482 20 10 CECDLO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756732543 644687299 /nfs/dbraw/zinc/68/72/99/644687299.db2.gz JCGCIAWPGMKELQ-UWVGGRQHSA-N 1 2 289.322 2.373 20 10 CECDLO C[C@@H]([NH2+]CCN1CCC1)c1cc(F)cc(F)c1O ZINC000756769188 644690479 /nfs/dbraw/zinc/69/04/79/644690479.db2.gz OSQAOKNGCPTWMR-SECBINFHSA-N 1 2 256.296 2.027 20 10 CECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cocn2)c1 ZINC000756830969 644697342 /nfs/dbraw/zinc/69/73/42/644697342.db2.gz JOOWTTUKQFUSTM-SECBINFHSA-N 1 2 276.292 2.018 20 10 CECDLO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@H]1CO ZINC000857061310 644805876 /nfs/dbraw/zinc/80/58/76/644805876.db2.gz OGTNMWXQUPEDFZ-JQWIXIFHSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1CO ZINC000857061310 644805881 /nfs/dbraw/zinc/80/58/81/644805881.db2.gz OGTNMWXQUPEDFZ-JQWIXIFHSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000757655790 644831514 /nfs/dbraw/zinc/83/15/14/644831514.db2.gz KZOSECAAQBWSSE-HRDYMLBCSA-N 1 2 259.296 2.480 20 10 CECDLO CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cccc(Cl)c1O ZINC000858549190 645198104 /nfs/dbraw/zinc/19/81/04/645198104.db2.gz UNHMCWKLSXZDRE-RISCZKNCSA-N 1 2 298.814 2.153 20 10 CECDLO OCC[C@H]([NH2+]Cc1cccc(Cl)c1O)C1CCOCC1 ZINC000764677109 645674017 /nfs/dbraw/zinc/67/40/17/645674017.db2.gz FRSKBYBLMLLMAB-AWEZNQCLSA-N 1 2 299.798 2.313 20 10 CECDLO Cc1cc(NC(=O)NCc2ccccc2O)c(C)c[nH+]1 ZINC000767944992 646059233 /nfs/dbraw/zinc/05/92/33/646059233.db2.gz AYCFJRAQBQEZFU-UHFFFAOYSA-N 1 2 271.320 2.148 20 10 CECDLO CC(C)C(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000768184425 646094100 /nfs/dbraw/zinc/09/41/00/646094100.db2.gz HLNCHIBYZGDLEZ-UHFFFAOYSA-N 1 2 296.798 2.346 20 10 CECDLO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)cc(F)c1O ZINC000863547664 646753960 /nfs/dbraw/zinc/75/39/60/646753960.db2.gz RGXLXGCSXXABFV-YWVKMMECSA-N 1 2 270.323 2.462 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(O)CC1 ZINC000775643924 646974890 /nfs/dbraw/zinc/97/48/90/646974890.db2.gz YOQAPZGDYOSXMY-UHFFFAOYSA-N 1 2 259.708 2.141 20 10 CECDLO CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000775890652 647003490 /nfs/dbraw/zinc/00/34/90/647003490.db2.gz HEGATTIYSZWQKX-GFCCVEGCSA-N 1 2 261.724 2.435 20 10 CECDLO COCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776175441 647032454 /nfs/dbraw/zinc/03/24/54/647032454.db2.gz LNQYLXQTXYGAEV-CYBMUJFWSA-N 1 2 291.750 2.062 20 10 CECDLO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776254548 647043485 /nfs/dbraw/zinc/04/34/85/647043485.db2.gz ZCGSXDNBTHGVQL-ZETCQYMHSA-N 1 2 261.724 2.434 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOCC3(CC3)C2)c1O ZINC000782533977 647634565 /nfs/dbraw/zinc/63/45/65/647634565.db2.gz ANDGYFBCAPIYBK-UHFFFAOYSA-N 1 2 293.338 2.346 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOCC3(CC3)C2)c1O ZINC000782533977 647634568 /nfs/dbraw/zinc/63/45/68/647634568.db2.gz ANDGYFBCAPIYBK-UHFFFAOYSA-N 1 2 293.338 2.346 20 10 CECDLO CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1c(O)cccc1Cl ZINC000783727734 647752359 /nfs/dbraw/zinc/75/23/59/647752359.db2.gz FKKSYNLLGIEJCA-ZDUSSCGKSA-N 1 2 296.798 2.392 20 10 CECDLO CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000783727734 647752362 /nfs/dbraw/zinc/75/23/62/647752362.db2.gz FKKSYNLLGIEJCA-ZDUSSCGKSA-N 1 2 296.798 2.392 20 10 CECDLO C[C@]1(CO)CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000789558305 648312082 /nfs/dbraw/zinc/31/20/82/648312082.db2.gz WEUSHSXRUIHFDF-CYBMUJFWSA-N 1 2 255.745 2.392 20 10 CECDLO C[C@]1(CO)CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000789558305 648312087 /nfs/dbraw/zinc/31/20/87/648312087.db2.gz WEUSHSXRUIHFDF-CYBMUJFWSA-N 1 2 255.745 2.392 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CC[S@@](=O)CC2(C)C)cc1 ZINC000794569684 648885420 /nfs/dbraw/zinc/88/54/20/648885420.db2.gz ZPNQFOITNVUGNL-LJQANCHMSA-N 1 2 280.437 2.096 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CC[S@@](=O)CC2(C)C)cc1 ZINC000794569684 648885424 /nfs/dbraw/zinc/88/54/24/648885424.db2.gz ZPNQFOITNVUGNL-LJQANCHMSA-N 1 2 280.437 2.096 20 10 CECDLO CN1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124730352 649731225 /nfs/dbraw/zinc/73/12/25/649731225.db2.gz QNQXMLGTJSJOQT-LLVKDONJSA-N 1 2 254.761 2.229 20 10 CECDLO C[N@@H+]1CCN(C(=O)C2=CC(=O)CS2)C[C@H]1C(C)(C)C ZINC000880614030 651472213 /nfs/dbraw/zinc/47/22/13/651472213.db2.gz PIQPEYIVSRCQBV-LBPRGKRZSA-N 1 2 282.409 2.256 20 10 CECDLO C[N@H+]1CCN(C(=O)C2=CC(=O)CS2)C[C@H]1C(C)(C)C ZINC000880614030 651472218 /nfs/dbraw/zinc/47/22/18/651472218.db2.gz PIQPEYIVSRCQBV-LBPRGKRZSA-N 1 2 282.409 2.256 20 10 CECDLO CC[C@H](O)CC[NH2+]Cc1cccc(Br)c1O ZINC000131681792 652451779 /nfs/dbraw/zinc/45/17/79/652451779.db2.gz IGUGLUBSQFZVOJ-JTQLQIEISA-N 1 2 288.185 2.405 20 10 CECDLO Cc1cc[nH+]cc1NCCc1cc(O)c(O)cc1O ZINC001168005549 805656836 /nfs/dbraw/zinc/65/68/36/805656836.db2.gz JQGJAWOEXMMLQB-UHFFFAOYSA-N 1 2 260.293 2.161 20 10 CECDLO CC[C@@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715723938 814988403 /nfs/dbraw/zinc/98/84/03/814988403.db2.gz XTECINJZVBVNTF-SECBINFHSA-N 1 2 292.148 2.154 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000698954000 807505780 /nfs/dbraw/zinc/50/57/80/807505780.db2.gz VWUICFJHYPAUAQ-LBPRGKRZSA-N 1 2 275.270 2.464 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000698954000 807505785 /nfs/dbraw/zinc/50/57/85/807505785.db2.gz VWUICFJHYPAUAQ-LBPRGKRZSA-N 1 2 275.270 2.464 20 10 CECDLO Cc1cc(F)cc(C[N@@H+]2CCC(=O)[C@H](C)C2)c1O ZINC001238057326 808292821 /nfs/dbraw/zinc/29/28/21/808292821.db2.gz KGEBHXWGMWTQFV-SNVBAGLBSA-N 1 2 251.301 2.251 20 10 CECDLO Cc1cc(F)cc(C[N@H+]2CCC(=O)[C@H](C)C2)c1O ZINC001238057326 808292827 /nfs/dbraw/zinc/29/28/27/808292827.db2.gz KGEBHXWGMWTQFV-SNVBAGLBSA-N 1 2 251.301 2.251 20 10 CECDLO c1cn(-c2ccc(-c3noc(-c4csnn4)n3)cc2)c[nH+]1 ZINC001212362465 808659428 /nfs/dbraw/zinc/65/94/28/808659428.db2.gz WDCKFKCJVKMYIK-UHFFFAOYSA-N 1 2 296.315 2.441 20 10 CECDLO CN(c1ccc(N)cc1)c1ccc[nH+]c1N1CCOCC1 ZINC001212364884 808664674 /nfs/dbraw/zinc/66/46/74/808664674.db2.gz XWPOUCGSMMRIQN-UHFFFAOYSA-N 1 2 284.363 2.268 20 10 CECDLO COC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000701687392 809452849 /nfs/dbraw/zinc/45/28/49/809452849.db2.gz JTFATCSKYLDHBQ-UHFFFAOYSA-N 1 2 298.770 2.366 20 10 CECDLO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)c(F)c1O ZINC000703457313 809650608 /nfs/dbraw/zinc/65/06/08/809650608.db2.gz CNZPWXQEOSMULM-JQWIXIFHSA-N 1 2 282.334 2.339 20 10 CECDLO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(F)c(F)c1O ZINC000703457313 809650611 /nfs/dbraw/zinc/65/06/11/809650611.db2.gz CNZPWXQEOSMULM-JQWIXIFHSA-N 1 2 282.334 2.339 20 10 CECDLO C[C@@H]1COCCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000703518015 809653960 /nfs/dbraw/zinc/65/39/60/809653960.db2.gz OIERIRVEXLUALV-SECBINFHSA-N 1 2 257.280 2.281 20 10 CECDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)C[C@H](C)[N@@H+]1C ZINC000703518818 809653995 /nfs/dbraw/zinc/65/39/95/809653995.db2.gz SIUARLPXXXWDSE-AOOOYVTPSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@H]1COCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703558471 809662830 /nfs/dbraw/zinc/66/28/30/809662830.db2.gz YKBUIRYCSDTGDV-SECBINFHSA-N 1 2 257.280 2.139 20 10 CECDLO C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)CC1(F)F ZINC001144504331 814092722 /nfs/dbraw/zinc/09/27/22/814092722.db2.gz PRZBFHIAPHWEDO-QMMMGPOBSA-N 1 2 273.279 2.281 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC1(F)F ZINC001144504331 814092728 /nfs/dbraw/zinc/09/27/28/814092728.db2.gz PRZBFHIAPHWEDO-QMMMGPOBSA-N 1 2 273.279 2.281 20 10 CECDLO CCN(CC)c1ccc(C[N@H+](C)C2COC2)c(OC)c1 ZINC001138389281 815786412 /nfs/dbraw/zinc/78/64/12/815786412.db2.gz IIOHEZDWHSVFLJ-UHFFFAOYSA-N 1 2 278.396 2.372 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+](C)C2COC2)c(OC)c1 ZINC001138389281 815786416 /nfs/dbraw/zinc/78/64/16/815786416.db2.gz IIOHEZDWHSVFLJ-UHFFFAOYSA-N 1 2 278.396 2.372 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001139683062 816081668 /nfs/dbraw/zinc/08/16/68/816081668.db2.gz FSRFINMXAJPIQX-NSHDSACASA-N 1 2 282.334 2.341 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001139683062 816081669 /nfs/dbraw/zinc/08/16/69/816081669.db2.gz FSRFINMXAJPIQX-NSHDSACASA-N 1 2 282.334 2.341 20 10 CECDLO Cn1cnc2c1C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140342587 816238130 /nfs/dbraw/zinc/23/81/30/816238130.db2.gz PWOYDICGODMZNE-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Cn1cnc2c1C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140342587 816238137 /nfs/dbraw/zinc/23/81/37/816238137.db2.gz PWOYDICGODMZNE-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Oc1cc(Cl)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001140461019 816258476 /nfs/dbraw/zinc/25/84/76/816258476.db2.gz BIJKITLOQVBMIP-TXEJJXNPSA-N 1 2 253.729 2.409 20 10 CECDLO Oc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001140461019 816258481 /nfs/dbraw/zinc/25/84/81/816258481.db2.gz BIJKITLOQVBMIP-TXEJJXNPSA-N 1 2 253.729 2.409 20 10 CECDLO Oc1cc(Cl)ccc1C[N@@H+]1CCOCC12CC2 ZINC001140464231 816260747 /nfs/dbraw/zinc/26/07/47/816260747.db2.gz HQGNDVJTIZYKLE-UHFFFAOYSA-N 1 2 253.729 2.410 20 10 CECDLO Oc1cc(Cl)ccc1C[N@H+]1CCOCC12CC2 ZINC001140464231 816260751 /nfs/dbraw/zinc/26/07/51/816260751.db2.gz HQGNDVJTIZYKLE-UHFFFAOYSA-N 1 2 253.729 2.410 20 10 CECDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(Cl)cc3O)[C@@H]2C1 ZINC001140463085 816261026 /nfs/dbraw/zinc/26/10/26/816261026.db2.gz SBFLZAIFJFICIW-PSOPSSQASA-N 1 2 297.782 2.017 20 10 CECDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccc(Cl)cc3O)[C@@H]2C1 ZINC001140463085 816261033 /nfs/dbraw/zinc/26/10/33/816261033.db2.gz SBFLZAIFJFICIW-PSOPSSQASA-N 1 2 297.782 2.017 20 10 CECDLO C[N@@H+]1C[C@H]2CCCN(Cc3c(O)cc(F)cc3F)[C@@H]2C1 ZINC001140583411 816293559 /nfs/dbraw/zinc/29/35/59/816293559.db2.gz FQEPTFNIWRDENK-QMTHXVAHSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1C[C@H]2CCCN(Cc3c(O)cc(F)cc3F)[C@@H]2C1 ZINC001140583411 816293565 /nfs/dbraw/zinc/29/35/65/816293565.db2.gz FQEPTFNIWRDENK-QMTHXVAHSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+](Cc1c(O)cc(F)cc1F)[C@H]1CCC2(C1)OCCO2 ZINC001140585517 816294403 /nfs/dbraw/zinc/29/44/03/816294403.db2.gz LWMUXMXBZVLUNU-NSHDSACASA-N 1 2 299.317 2.398 20 10 CECDLO C[N@@H+](Cc1c(O)cc(F)cc1F)[C@H]1CCC2(C1)OCCO2 ZINC001140585517 816294405 /nfs/dbraw/zinc/29/44/05/816294405.db2.gz LWMUXMXBZVLUNU-NSHDSACASA-N 1 2 299.317 2.398 20 10 CECDLO C[N@@H+]1CCC[C@H]2CN(Cc3c(O)cc(F)cc3F)C[C@@H]21 ZINC001140585256 816295228 /nfs/dbraw/zinc/29/52/28/816295228.db2.gz BUMAKRPKSAXAAI-HZMBPMFUSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1CCC[C@H]2CN(Cc3c(O)cc(F)cc3F)C[C@@H]21 ZINC001140585256 816295231 /nfs/dbraw/zinc/29/52/31/816295231.db2.gz BUMAKRPKSAXAAI-HZMBPMFUSA-N 1 2 282.334 2.196 20 10 CECDLO O=C1NC(=S)S/C1=C\c1ccc(N2CCCC2)[nH+]c1 ZINC000123331400 365637087 /nfs/dbraw/zinc/63/70/87/365637087.db2.gz VUWQRQZDIGYKRL-YFHOEESVSA-N 1 2 291.401 2.171 20 10 CECDLO CCCC[C@H]([NH2+]Cc1cc(OC)ccc1O)C(=O)OC ZINC000154619357 366782132 /nfs/dbraw/zinc/78/21/32/366782132.db2.gz YGJVCTVTTIFGNQ-ZDUSSCGKSA-N 1 2 281.352 2.222 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1cn[nH]c1 ZINC000273531997 299345302 /nfs/dbraw/zinc/34/53/02/299345302.db2.gz WMIBIIURXLJGQY-IUCAKERBSA-N 1 2 276.296 2.435 20 10 CECDLO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2O)C1=O ZINC000187784391 369221079 /nfs/dbraw/zinc/22/10/79/369221079.db2.gz VREDKPUJCTVFGL-CABZTGNLSA-N 1 2 298.333 2.330 20 10 CECDLO Cc1cccc(C[N@@H+]2CCC[C@H]2c2ncon2)c1O ZINC000362045257 372183757 /nfs/dbraw/zinc/18/37/57/372183757.db2.gz LOUCYLGMSALRCB-LBPRGKRZSA-N 1 2 259.309 2.421 20 10 CECDLO Cc1cccc(C[N@H+]2CCC[C@H]2c2ncon2)c1O ZINC000362045257 372183763 /nfs/dbraw/zinc/18/37/63/372183763.db2.gz LOUCYLGMSALRCB-LBPRGKRZSA-N 1 2 259.309 2.421 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1 ZINC000271192908 373170744 /nfs/dbraw/zinc/17/07/44/373170744.db2.gz MLPKOTCCMZCGIQ-PVUDRZGPSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(O)c(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1 ZINC000271192908 373170754 /nfs/dbraw/zinc/17/07/54/373170754.db2.gz MLPKOTCCMZCGIQ-PVUDRZGPSA-N 1 2 297.420 2.132 20 10 CECDLO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)n(C)n1 ZINC000284281519 375826495 /nfs/dbraw/zinc/82/64/95/375826495.db2.gz JUWOBELYKLAJHC-SNVBAGLBSA-N 1 2 290.323 2.193 20 10 CECDLO COC[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000295308962 378098013 /nfs/dbraw/zinc/09/80/13/378098013.db2.gz KLPOJLKWQCWFGZ-JTQLQIEISA-N 1 2 289.734 2.032 20 10 CECDLO COC[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000295308962 378098022 /nfs/dbraw/zinc/09/80/22/378098022.db2.gz KLPOJLKWQCWFGZ-JTQLQIEISA-N 1 2 289.734 2.032 20 10 CECDLO Cc1cc(NCc2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000301232624 379227534 /nfs/dbraw/zinc/22/75/34/379227534.db2.gz IMEAKIKOYNSLDK-UHFFFAOYSA-N 1 2 284.363 2.234 20 10 CECDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(OC)cc1 ZINC000492807013 380695691 /nfs/dbraw/zinc/69/56/91/380695691.db2.gz ARGZBNSIZAYJCS-WTKPLQERSA-N 1 2 271.320 2.485 20 10 CECDLO CC[C@@H]([NH2+]CC(F)(F)CO)c1ccc(N(C)C)cc1 ZINC000184715293 262026802 /nfs/dbraw/zinc/02/68/02/262026802.db2.gz ZFRMKHANPGGVQQ-CYBMUJFWSA-N 1 2 272.339 2.421 20 10 CECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nccs2)c1 ZINC000273379330 292013905 /nfs/dbraw/zinc/01/39/05/292013905.db2.gz HWBKCCHPXSWKFM-SECBINFHSA-N 1 2 292.360 2.486 20 10 CECDLO CCCc1nc(C[N@H+](C)Cc2ccccc2O)no1 ZINC000109771163 394735544 /nfs/dbraw/zinc/73/55/44/394735544.db2.gz PISMOCAIAQDFGP-UHFFFAOYSA-N 1 2 261.325 2.360 20 10 CECDLO Oc1c(Cl)cccc1CN1CC[NH+](C2CC2)CC1 ZINC000179670715 261808297 /nfs/dbraw/zinc/80/82/97/261808297.db2.gz CKBSMJJAGOLZFD-UHFFFAOYSA-N 1 2 266.772 2.326 20 10 CECDLO Oc1c(Cl)cccc1C[NH+]1CCN(C2CC2)CC1 ZINC000179670715 261808299 /nfs/dbraw/zinc/80/82/99/261808299.db2.gz CKBSMJJAGOLZFD-UHFFFAOYSA-N 1 2 266.772 2.326 20 10 CECDLO C[C@@H]([NH2+]Cc1nccn1C)c1ccc(F)c(F)c1O ZINC000276992280 263039101 /nfs/dbraw/zinc/03/91/01/263039101.db2.gz XTUGKTCEKFANLA-MRVPVSSYSA-N 1 2 267.279 2.255 20 10 CECDLO COC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000280840393 293113325 /nfs/dbraw/zinc/11/33/25/293113325.db2.gz AMUACHAAKABINP-SFYZADRCSA-N 1 2 294.178 2.357 20 10 CECDLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1cccc(OC)c1O ZINC000036980935 523569614 /nfs/dbraw/zinc/56/96/14/523569614.db2.gz YIVNAWLTWXWHPQ-GFCCVEGCSA-N 1 2 281.352 2.078 20 10 CECDLO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)CC[S@]1=O ZINC000277601070 524295666 /nfs/dbraw/zinc/29/56/66/524295666.db2.gz LEKKNYUEPPUNOO-YPMLDQLKSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)CC[S@]1=O ZINC000277601070 524295671 /nfs/dbraw/zinc/29/56/71/524295671.db2.gz LEKKNYUEPPUNOO-YPMLDQLKSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(F)c(F)c1O ZINC000276986867 525587859 /nfs/dbraw/zinc/58/78/59/525587859.db2.gz WUASNRXCRZVGJP-WHGOUJPWSA-N 1 2 271.307 2.480 20 10 CECDLO Cc1cccn2c(C=C3SC(=S)NC3=O)c[nH+]c12 ZINC000125218288 649873314 /nfs/dbraw/zinc/87/33/14/649873314.db2.gz OSEZLZXHTPZHHU-UITAMQMPSA-N 1 2 275.358 2.132 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CCC(n2cc[nH+]c2)CC1 ZINC000731872826 574604628 /nfs/dbraw/zinc/60/46/28/574604628.db2.gz SALLKMMQUYDBKJ-UHFFFAOYSA-N 1 2 277.349 2.128 20 10 CECDLO O=C(CCn1cc[nH+]c1)NCCCSc1nccs1 ZINC000733971744 574696080 /nfs/dbraw/zinc/69/60/80/574696080.db2.gz DOSFDKGEHJQARS-UHFFFAOYSA-N 1 2 296.421 2.028 20 10 CECDLO CC(C)Cn1cc[nH+]c1CNC(=O)C1=CC(=O)CS1 ZINC000743560483 575106380 /nfs/dbraw/zinc/10/63/80/575106380.db2.gz BGGDUEVSVYZDII-UHFFFAOYSA-N 1 2 279.365 2.236 20 10 CECDLO CCNC(=O)C(C)(C)[NH2+]Cc1cccc(Cl)c1O ZINC000312879185 628549035 /nfs/dbraw/zinc/54/90/35/628549035.db2.gz NJZBBULMUBVBAO-UHFFFAOYSA-N 1 2 270.760 2.050 20 10 CECDLO OCC[N@H+](Cc1cccnc1)Cc1cc(F)cc(F)c1O ZINC000894000731 629081693 /nfs/dbraw/zinc/08/16/93/629081693.db2.gz ABXSLKBKHDXGKR-UHFFFAOYSA-N 1 2 294.301 2.060 20 10 CECDLO OCC[N@@H+](Cc1cccnc1)Cc1cc(F)cc(F)c1O ZINC000894000731 629081696 /nfs/dbraw/zinc/08/16/96/629081696.db2.gz ABXSLKBKHDXGKR-UHFFFAOYSA-N 1 2 294.301 2.060 20 10 CECDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(F)cc(F)c1O)CCO2 ZINC000894603522 629549226 /nfs/dbraw/zinc/54/92/26/629549226.db2.gz ZJNMPHYIKJQCKE-BONVTDFDSA-N 1 2 299.317 2.050 20 10 CECDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(F)cc(F)c1O)CCO2 ZINC000894603522 629549229 /nfs/dbraw/zinc/54/92/29/629549229.db2.gz ZJNMPHYIKJQCKE-BONVTDFDSA-N 1 2 299.317 2.050 20 10 CECDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000896958706 630845230 /nfs/dbraw/zinc/84/52/30/630845230.db2.gz MWRQJWUFSPKOKI-SNVBAGLBSA-N 1 2 285.290 2.055 20 10 CECDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000896958706 630845234 /nfs/dbraw/zinc/84/52/34/630845234.db2.gz MWRQJWUFSPKOKI-SNVBAGLBSA-N 1 2 285.290 2.055 20 10 CECDLO C[C@@H]1C[C@H](O)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000825315458 635610094 /nfs/dbraw/zinc/61/00/94/635610094.db2.gz BCQXUVZOKMDZFD-KOLCDFICSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000825315458 635610099 /nfs/dbraw/zinc/61/00/99/635610099.db2.gz BCQXUVZOKMDZFD-KOLCDFICSA-N 1 2 255.745 2.248 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOCC12CC2 ZINC000802658849 631441607 /nfs/dbraw/zinc/44/16/07/631441607.db2.gz RXQCNGFGEIBNKH-UHFFFAOYSA-N 1 2 253.729 2.410 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCOCC12CC2 ZINC000802658849 631441610 /nfs/dbraw/zinc/44/16/10/631441610.db2.gz RXQCNGFGEIBNKH-UHFFFAOYSA-N 1 2 253.729 2.410 20 10 CECDLO C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841059356 632361226 /nfs/dbraw/zinc/36/12/26/632361226.db2.gz QECAYFCMCGQIMS-KWQFWETISA-N 1 2 299.758 2.041 20 10 CECDLO OCC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816553072 633411846 /nfs/dbraw/zinc/41/18/46/633411846.db2.gz HWGDIRXKCKUHAS-GFCCVEGCSA-N 1 2 273.735 2.435 20 10 CECDLO CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817959607 633800537 /nfs/dbraw/zinc/80/05/37/633800537.db2.gz DIXCFWLTUAJYIB-CHWSQXEVSA-N 1 2 252.333 2.309 20 10 CECDLO CC[C@@H]([NH2+]CC(F)(F)CN)c1ccc(C)cc1O ZINC000817968134 633811980 /nfs/dbraw/zinc/81/19/80/633811980.db2.gz PRAGMROLHHFTAI-LLVKDONJSA-N 1 2 258.312 2.335 20 10 CECDLO Oc1c(Br)cccc1C[NH2+]CCN1CCCC1 ZINC000042411778 633967734 /nfs/dbraw/zinc/96/77/34/633967734.db2.gz IQMAVGSIJJLFFM-UHFFFAOYSA-N 1 2 299.212 2.340 20 10 CECDLO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cccc(Cl)c1O ZINC000825045439 635549014 /nfs/dbraw/zinc/54/90/14/635549014.db2.gz DMHSZPKNGJSVJL-SNVBAGLBSA-N 1 2 279.771 2.500 20 10 CECDLO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000825129689 635574953 /nfs/dbraw/zinc/57/49/53/635574953.db2.gz ATCAKFWQASLBTA-MFKMUULPSA-N 1 2 285.771 2.017 20 10 CECDLO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000825129689 635574992 /nfs/dbraw/zinc/57/49/92/635574992.db2.gz ATCAKFWQASLBTA-MFKMUULPSA-N 1 2 285.771 2.017 20 10 CECDLO CCOc1ccc(O)c(C[N@H+](C)Cc2nnc(C)o2)c1 ZINC000827039290 636194541 /nfs/dbraw/zinc/19/45/41/636194541.db2.gz NCPWPNDZWMPGOL-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2nnc(C)o2)c1 ZINC000827039290 636194547 /nfs/dbraw/zinc/19/45/47/636194547.db2.gz NCPWPNDZWMPGOL-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827292330 636282777 /nfs/dbraw/zinc/28/27/77/636282777.db2.gz PZBFGGHSKRFCRE-ISVAXAHUSA-N 1 2 271.719 2.141 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827292330 636282781 /nfs/dbraw/zinc/28/27/81/636282781.db2.gz PZBFGGHSKRFCRE-ISVAXAHUSA-N 1 2 271.719 2.141 20 10 CECDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000827941114 636465161 /nfs/dbraw/zinc/46/51/61/636465161.db2.gz MNXMENAECRSRHQ-VXGBXAGGSA-N 1 2 285.347 2.029 20 10 CECDLO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ncn(C)n1 ZINC000835045723 638036277 /nfs/dbraw/zinc/03/62/77/638036277.db2.gz PFQFCOVFAXUCOB-CFHLNLSMSA-N 1 2 285.395 2.245 20 10 CECDLO Cc1cc(C)c(CNC(=O)c2ccc(C)c(O)c2O)c[nH+]1 ZINC000837106165 639055764 /nfs/dbraw/zinc/05/57/64/639055764.db2.gz WWMSLXQEEBDIMJ-UHFFFAOYSA-N 1 2 286.331 2.348 20 10 CECDLO CCc1cc(C[N@@H+]2CCNC(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000058593170 639518544 /nfs/dbraw/zinc/51/85/44/639518544.db2.gz YMFOYAYQEOCGJP-UHFFFAOYSA-N 1 2 290.407 2.184 20 10 CECDLO CCc1cc(C[N@H+]2CCNC(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000058593170 639518550 /nfs/dbraw/zinc/51/85/50/639518550.db2.gz YMFOYAYQEOCGJP-UHFFFAOYSA-N 1 2 290.407 2.184 20 10 CECDLO Cc1cc(Br)c([O-])c(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000841027502 639620315 /nfs/dbraw/zinc/62/03/15/639620315.db2.gz CLNRNMTYPFUAIN-GFCCVEGCSA-N 1 2 299.212 2.290 20 10 CECDLO C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841059271 639636275 /nfs/dbraw/zinc/63/62/75/639636275.db2.gz OYQJRYCULCYWPR-JOYOIKCWSA-N 1 2 254.761 2.133 20 10 CECDLO CC(C)(C[NH2+]Cc1cccc(Cl)c1O)[C@@]1(O)CCOC1 ZINC000843429236 640427706 /nfs/dbraw/zinc/42/77/06/640427706.db2.gz XSWWSNAQMINPNY-OAHLLOKOSA-N 1 2 299.798 2.313 20 10 CECDLO C[C@@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccccc1O ZINC000848557410 642052388 /nfs/dbraw/zinc/05/23/88/642052388.db2.gz JSOCVNZBEIDQRM-MFKMUULPSA-N 1 2 288.351 2.213 20 10 CECDLO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(F)cc1O ZINC000850499712 642732768 /nfs/dbraw/zinc/73/27/68/642732768.db2.gz VUHAXVKXIJVWJF-VDDIYKPWSA-N 1 2 276.315 2.479 20 10 CECDLO OC1CCN(c2ccc(C[NH2+]C(CF)CF)cc2)CC1 ZINC000877556642 650787039 /nfs/dbraw/zinc/78/70/39/650787039.db2.gz VIWDZSWOFMBBGG-UHFFFAOYSA-N 1 2 284.350 2.045 20 10 CECDLO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cn(C)nn1 ZINC000922635341 643173530 /nfs/dbraw/zinc/17/35/30/643173530.db2.gz QLTJYZQCASCVLL-ZETCQYMHSA-N 1 2 284.722 2.164 20 10 CECDLO COC(=O)c1ccc(C[N@@H+]2Cc3cccc(O)c3C2)n1C ZINC000877703060 650859854 /nfs/dbraw/zinc/85/98/54/650859854.db2.gz PPNYCVABAQHRTQ-UHFFFAOYSA-N 1 2 286.331 2.033 20 10 CECDLO COC(=O)c1ccc(C[N@H+]2Cc3cccc(O)c3C2)n1C ZINC000877703060 650859859 /nfs/dbraw/zinc/85/98/59/650859859.db2.gz PPNYCVABAQHRTQ-UHFFFAOYSA-N 1 2 286.331 2.033 20 10 CECDLO OC[C@H]1CSCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000877779872 650907622 /nfs/dbraw/zinc/90/76/22/650907622.db2.gz GUTXJNXJHQMXEY-QMMMGPOBSA-N 1 2 291.775 2.094 20 10 CECDLO OC[C@H]1CSCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000877779872 650907624 /nfs/dbraw/zinc/90/76/24/650907624.db2.gz GUTXJNXJHQMXEY-QMMMGPOBSA-N 1 2 291.775 2.094 20 10 CECDLO CO[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1OC ZINC000754153938 644332096 /nfs/dbraw/zinc/33/20/96/644332096.db2.gz KOZKFRXMHGFMCZ-TXEJJXNPSA-N 1 2 289.734 2.030 20 10 CECDLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1OC ZINC000754153938 644332101 /nfs/dbraw/zinc/33/21/01/644332101.db2.gz KOZKFRXMHGFMCZ-TXEJJXNPSA-N 1 2 289.734 2.030 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000877811504 650918261 /nfs/dbraw/zinc/91/82/61/650918261.db2.gz MDSWHBPPFZZODJ-XWEPSHTISA-N 1 2 259.708 2.045 20 10 CECDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(F)cc1O ZINC000756380292 644639055 /nfs/dbraw/zinc/63/90/55/644639055.db2.gz GRDCNQWIGYEZNL-MEBBXXQBSA-N 1 2 288.322 2.409 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1nncn1C ZINC000756531719 644659880 /nfs/dbraw/zinc/65/98/80/644659880.db2.gz BKZSRBIOODAJTN-YUMQZZPRSA-N 1 2 282.294 2.211 20 10 CECDLO C[C@H]([NH2+]CCNc1cnccn1)c1cc(F)cc(F)c1O ZINC000756644943 644677984 /nfs/dbraw/zinc/67/79/84/644677984.db2.gz DGXKRKIEENXHAD-VIFPVBQESA-N 1 2 294.305 2.223 20 10 CECDLO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756782650 644692745 /nfs/dbraw/zinc/69/27/45/644692745.db2.gz SUFZQAURHCSUGF-QMMMGPOBSA-N 1 2 286.322 2.093 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+]2CCN(CC)C(=O)C2)cc1 ZINC000758016422 644871636 /nfs/dbraw/zinc/87/16/36/644871636.db2.gz VGLOYVNCLBBNLK-UHFFFAOYSA-N 1 2 289.423 2.197 20 10 CECDLO CCN(CC)c1ccc(C[N@H+]2CCN(CC)C(=O)C2)cc1 ZINC000758016422 644871646 /nfs/dbraw/zinc/87/16/46/644871646.db2.gz VGLOYVNCLBBNLK-UHFFFAOYSA-N 1 2 289.423 2.197 20 10 CECDLO OC[C@@H](CC(F)F)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000763539053 645555954 /nfs/dbraw/zinc/55/59/54/645555954.db2.gz PXDQCZBLJQBHOQ-MRVPVSSYSA-N 1 2 283.677 2.290 20 10 CECDLO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C[NH2+]1 ZINC000863483990 646739436 /nfs/dbraw/zinc/73/94/36/646739436.db2.gz GECSVRRHAJEBPY-MWLCHTKSSA-N 1 2 254.761 2.276 20 10 CECDLO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775702285 646982545 /nfs/dbraw/zinc/98/25/45/646982545.db2.gz NLKMLUOZKVJBPG-JTQLQIEISA-N 1 2 259.708 2.405 20 10 CECDLO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775702285 646982547 /nfs/dbraw/zinc/98/25/47/646982547.db2.gz NLKMLUOZKVJBPG-JTQLQIEISA-N 1 2 259.708 2.405 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000775791382 646993082 /nfs/dbraw/zinc/99/30/82/646993082.db2.gz HCYCYUQDAGZZCF-SNVBAGLBSA-N 1 2 259.708 2.453 20 10 CECDLO NC(=O)c1coc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000779195191 647296665 /nfs/dbraw/zinc/29/66/65/647296665.db2.gz AKIFCPMKLHONIY-UHFFFAOYSA-N 1 2 298.701 2.166 20 10 CECDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)CC1(CO)CC1 ZINC000783734567 647752440 /nfs/dbraw/zinc/75/24/40/647752440.db2.gz UFLQUJQTNRDAAH-UHFFFAOYSA-N 1 2 273.735 2.389 20 10 CECDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)CC1(CO)CC1 ZINC000783734567 647752442 /nfs/dbraw/zinc/75/24/42/647752442.db2.gz UFLQUJQTNRDAAH-UHFFFAOYSA-N 1 2 273.735 2.389 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cocn1 ZINC000790961492 648464942 /nfs/dbraw/zinc/46/49/42/648464942.db2.gz WDTAJSYFGXKFAR-UHFFFAOYSA-N 1 2 256.664 2.463 20 10 CECDLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140582129 803177511 /nfs/dbraw/zinc/17/75/11/803177511.db2.gz DLOXZHMPERDWKH-SCZZXKLOSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140582129 803177516 /nfs/dbraw/zinc/17/75/16/803177516.db2.gz DLOXZHMPERDWKH-SCZZXKLOSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@H](CCO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715719973 814986838 /nfs/dbraw/zinc/98/68/38/814986838.db2.gz HWLBEHWLPBOUSZ-SSDOTTSWSA-N 1 2 292.148 2.154 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236296993 808053572 /nfs/dbraw/zinc/05/35/72/808053572.db2.gz ZHRZRJQRWVQGEL-KWQFWETISA-N 1 2 273.163 2.103 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3cncnc3)CC2)c(C)c1 ZINC001137671545 814855312 /nfs/dbraw/zinc/85/53/12/814855312.db2.gz QEINXEVLOADQLU-UHFFFAOYSA-N 1 2 298.390 2.116 20 10 CECDLO Cc1cc(N(c2ccc(N)cc2)S(C)(=O)=O)cc[nH+]1 ZINC001174656811 816067476 /nfs/dbraw/zinc/06/74/76/816067476.db2.gz ILDXPNMQKITLFQ-UHFFFAOYSA-N 1 2 277.349 2.070 20 10 CECDLO Cn1ncc2c1CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140341805 816237616 /nfs/dbraw/zinc/23/76/16/816237616.db2.gz IAFJHRXBZMGRST-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Cn1ncc2c1CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140341805 816237620 /nfs/dbraw/zinc/23/76/20/816237620.db2.gz IAFJHRXBZMGRST-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001140582638 816291254 /nfs/dbraw/zinc/29/12/54/816291254.db2.gz LCRXJMIWDHAGSQ-AWEZNQCLSA-N 1 2 289.297 2.357 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001140582638 816291257 /nfs/dbraw/zinc/29/12/57/816291257.db2.gz LCRXJMIWDHAGSQ-AWEZNQCLSA-N 1 2 289.297 2.357 20 10 CECDLO Cc1c(O)ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CF)c1O ZINC001140742020 816338219 /nfs/dbraw/zinc/33/82/19/816338219.db2.gz HJUUVTLRHVFWBC-QWRGUYRKSA-N 1 2 257.280 2.288 20 10 CECDLO Cc1c(O)ccc(C[N@H+]2C[C@@H](F)C[C@H]2CF)c1O ZINC001140742020 816338224 /nfs/dbraw/zinc/33/82/24/816338224.db2.gz HJUUVTLRHVFWBC-QWRGUYRKSA-N 1 2 257.280 2.288 20 10 CECDLO Oc1cc2c(cc1O)C[N@H+](Cc1cnco1)CCC2 ZINC001140933988 816415889 /nfs/dbraw/zinc/41/58/89/816415889.db2.gz PFERMCAUNQPUKL-UHFFFAOYSA-N 1 2 260.293 2.034 20 10 CECDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cnco1)CCC2 ZINC001140933988 816415892 /nfs/dbraw/zinc/41/58/92/816415892.db2.gz PFERMCAUNQPUKL-UHFFFAOYSA-N 1 2 260.293 2.034 20 10 CECDLO COc1cc(O)c(C[NH+]2CC(OC(C)C)C2)c(OC)c1 ZINC001141030884 816450656 /nfs/dbraw/zinc/45/06/56/816450656.db2.gz PBUUXBJSWVFGOG-UHFFFAOYSA-N 1 2 281.352 2.019 20 10 CECDLO CN1CCOc2cc(C[N@H+]3CCC(=O)[C@@H](F)CC3)ccc21 ZINC001141140379 816483616 /nfs/dbraw/zinc/48/36/16/816483616.db2.gz LIGRUAIFTCJCQH-ZDUSSCGKSA-N 1 2 292.354 2.018 20 10 CECDLO CN1CCOc2cc(C[N@@H+]3CCC(=O)[C@@H](F)CC3)ccc21 ZINC001141140379 816483621 /nfs/dbraw/zinc/48/36/21/816483621.db2.gz LIGRUAIFTCJCQH-ZDUSSCGKSA-N 1 2 292.354 2.018 20 10 CECDLO Cc1[nH+]cc2n1CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142512990 816678626 /nfs/dbraw/zinc/67/86/26/816678626.db2.gz RTMKHEZOTFXRLT-UHFFFAOYSA-N 1 2 279.290 2.191 20 10 CECDLO Cc1cc(C)c(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(O)c1 ZINC001178122009 816690682 /nfs/dbraw/zinc/69/06/82/816690682.db2.gz PKQHKZVDALYPIP-CYBMUJFWSA-N 1 2 299.374 2.084 20 10 CECDLO CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000180226799 368373597 /nfs/dbraw/zinc/37/35/97/368373597.db2.gz YFSOWALBJXJPGW-JTQLQIEISA-N 1 2 269.316 2.303 20 10 CECDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1cc(F)ccc1O ZINC000180226799 368373600 /nfs/dbraw/zinc/37/36/00/368373600.db2.gz YFSOWALBJXJPGW-JTQLQIEISA-N 1 2 269.316 2.303 20 10 CECDLO CC[C@H]1C(=O)NCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000180037578 368364298 /nfs/dbraw/zinc/36/42/98/368364298.db2.gz GSBPWYSENOXXGZ-LBPRGKRZSA-N 1 2 282.771 2.064 20 10 CECDLO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000180037578 368364306 /nfs/dbraw/zinc/36/43/06/368364306.db2.gz GSBPWYSENOXXGZ-LBPRGKRZSA-N 1 2 282.771 2.064 20 10 CECDLO COc1ccc(O)c(C[N@H+](C)[C@H](C)C(=O)OC(C)C)c1 ZINC000180557495 368386899 /nfs/dbraw/zinc/38/68/99/368386899.db2.gz JDUHFADQGBVSNY-LLVKDONJSA-N 1 2 281.352 2.173 20 10 CECDLO COc1ccc(O)c(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)c1 ZINC000180557495 368386904 /nfs/dbraw/zinc/38/69/04/368386904.db2.gz JDUHFADQGBVSNY-LLVKDONJSA-N 1 2 281.352 2.173 20 10 CECDLO CC[N@H+](CC1CCS(=O)(=O)CC1)c1ccc(OC)cc1 ZINC000271306364 373187571 /nfs/dbraw/zinc/18/75/71/373187571.db2.gz PZUNGSAWJHIXPQ-UHFFFAOYSA-N 1 2 297.420 2.346 20 10 CECDLO CC[N@@H+](CC1CCS(=O)(=O)CC1)c1ccc(OC)cc1 ZINC000271306364 373187578 /nfs/dbraw/zinc/18/75/78/373187578.db2.gz PZUNGSAWJHIXPQ-UHFFFAOYSA-N 1 2 297.420 2.346 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000272217371 373365521 /nfs/dbraw/zinc/36/55/21/373365521.db2.gz BJLXRWOJAKGRRB-CYBMUJFWSA-N 1 2 251.301 2.142 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000272217371 373365531 /nfs/dbraw/zinc/36/55/31/373365531.db2.gz BJLXRWOJAKGRRB-CYBMUJFWSA-N 1 2 251.301 2.142 20 10 CECDLO Cc1c(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cnn1C ZINC000273477835 373759918 /nfs/dbraw/zinc/75/99/18/373759918.db2.gz LGPLXNGDKRTGAF-SECBINFHSA-N 1 2 290.323 2.193 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000371514270 373907456 /nfs/dbraw/zinc/90/74/56/373907456.db2.gz LPVDWWQIARPLJJ-SWLSCSKDSA-N 1 2 297.782 2.473 20 10 CECDLO CCN(CC)C(=O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000124495849 394838932 /nfs/dbraw/zinc/83/89/32/394838932.db2.gz ACULZUROSIOEFR-UHFFFAOYSA-N 1 2 284.787 2.346 20 10 CECDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000124495849 394838933 /nfs/dbraw/zinc/83/89/33/394838933.db2.gz ACULZUROSIOEFR-UHFFFAOYSA-N 1 2 284.787 2.346 20 10 CECDLO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276896454 298465999 /nfs/dbraw/zinc/46/59/99/298465999.db2.gz IIGAOVKVBSVUIF-MGOSUKFUSA-N 1 2 291.363 2.478 20 10 CECDLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccc(F)cc2O1 ZINC000493502157 262178914 /nfs/dbraw/zinc/17/89/14/262178914.db2.gz XKKXAMKUTDSZRZ-ATPLWMGHSA-N 1 2 287.294 2.376 20 10 CECDLO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000224857296 295635897 /nfs/dbraw/zinc/63/58/97/295635897.db2.gz YIZRZCDUJWIREW-KWQFWETISA-N 1 2 275.801 2.248 20 10 CECDLO CN(Cc1ccccc1O)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377644679 329022692 /nfs/dbraw/zinc/02/26/92/329022692.db2.gz RVJKMXVTOWOYLK-GFCCVEGCSA-N 1 2 285.347 2.194 20 10 CECDLO Oc1c(Cl)cccc1C[NH+]1CCC(n2cncn2)CC1 ZINC000179902503 329213258 /nfs/dbraw/zinc/21/32/58/329213258.db2.gz BSXHUPSVVWAENH-UHFFFAOYSA-N 1 2 292.770 2.474 20 10 CECDLO O=C1OCC[C@@]12CCC[N@H+]2Cc1cc(Cl)ccc1O ZINC000190041536 329392069 /nfs/dbraw/zinc/39/20/69/329392069.db2.gz YQJAWSBKJNDSLQ-AWEZNQCLSA-N 1 2 281.739 2.327 20 10 CECDLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cc(Cl)ccc1O ZINC000190041536 329392070 /nfs/dbraw/zinc/39/20/70/329392070.db2.gz YQJAWSBKJNDSLQ-AWEZNQCLSA-N 1 2 281.739 2.327 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)c1O ZINC000156367406 518287210 /nfs/dbraw/zinc/28/72/10/518287210.db2.gz RFURAEGLFNIJKG-KOLCDFICSA-N 1 2 281.327 2.343 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c1O ZINC000156367406 518287216 /nfs/dbraw/zinc/28/72/16/518287216.db2.gz RFURAEGLFNIJKG-KOLCDFICSA-N 1 2 281.327 2.343 20 10 CECDLO C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000276852725 525467505 /nfs/dbraw/zinc/46/75/05/525467505.db2.gz BEPSZNRAQINZFZ-SECBINFHSA-N 1 2 281.306 2.297 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCC1(O)CCOCC1 ZINC000289674906 526326441 /nfs/dbraw/zinc/32/64/41/526326441.db2.gz ZIDIUKXKBXOFKK-UHFFFAOYSA-N 1 2 285.771 2.067 20 10 CECDLO C/C=C\C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726629956 574428202 /nfs/dbraw/zinc/42/82/02/574428202.db2.gz FNHAWTSZQLFAEL-ARJAWSKDSA-N 1 2 274.364 2.356 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000732279007 574617694 /nfs/dbraw/zinc/61/76/94/574617694.db2.gz BZSANWOOEFZIII-UHFFFAOYSA-N 1 2 277.349 2.197 20 10 CECDLO CCn1cc[nH+]c1CN1CCc2cc(OC)ccc21 ZINC000750521500 575266863 /nfs/dbraw/zinc/26/68/63/575266863.db2.gz ANPOEUPUTCFLJM-UHFFFAOYSA-N 1 2 257.337 2.474 20 10 CECDLO C[C@H](CCO)[NH2+]Cc1cccc(Br)c1O ZINC000096811393 628956104 /nfs/dbraw/zinc/95/61/04/628956104.db2.gz URSMHZLDUYXHGP-MRVPVSSYSA-N 1 2 274.158 2.015 20 10 CECDLO Cc1nonc1[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924901324 629236025 /nfs/dbraw/zinc/23/60/25/629236025.db2.gz RWWOJQDQSCGIAW-VIFPVBQESA-N 1 2 259.309 2.164 20 10 CECDLO C[C@H]1C[NH+](Cc2ccc(N(C)C)cc2)C[C@H](C)S1=O ZINC000792192762 629601256 /nfs/dbraw/zinc/60/12/56/629601256.db2.gz PZVQJSHNUOKZRV-STQMWFEESA-N 1 2 280.437 2.094 20 10 CECDLO CC[C@@H]([NH2+]Cc1ncnn1CC)c1ccc(F)cc1O ZINC000796986634 630095456 /nfs/dbraw/zinc/09/54/56/630095456.db2.gz YSNYDYXLVZYZOI-GFCCVEGCSA-N 1 2 278.331 2.384 20 10 CECDLO COCCOc1ccc(C[NH2+]Cc2c(O)cccc2F)o1 ZINC000896638669 630621809 /nfs/dbraw/zinc/62/18/09/630621809.db2.gz KLRXKPUUXQEMET-UHFFFAOYSA-N 1 2 295.310 2.439 20 10 CECDLO CCOC(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000896959572 630836906 /nfs/dbraw/zinc/83/69/06/630836906.db2.gz BZPJNFRBVABWMY-NSHDSACASA-N 1 2 283.755 2.431 20 10 CECDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000896959572 630836912 /nfs/dbraw/zinc/83/69/12/630836912.db2.gz BZPJNFRBVABWMY-NSHDSACASA-N 1 2 283.755 2.431 20 10 CECDLO CCn1cnc2c1CC[N@H+](Cc1cc(OC)ccc1O)C2 ZINC000897334492 631135895 /nfs/dbraw/zinc/13/58/95/631135895.db2.gz VAVGTVMDPRVMRN-UHFFFAOYSA-N 1 2 287.363 2.176 20 10 CECDLO CCn1cnc2c1CC[N@@H+](Cc1cc(OC)ccc1O)C2 ZINC000897334492 631135898 /nfs/dbraw/zinc/13/58/98/631135898.db2.gz VAVGTVMDPRVMRN-UHFFFAOYSA-N 1 2 287.363 2.176 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC000801560055 631288717 /nfs/dbraw/zinc/28/87/17/631288717.db2.gz NQHVFNYBASFHOV-CYBMUJFWSA-N 1 2 270.323 2.219 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC000801560055 631288718 /nfs/dbraw/zinc/28/87/18/631288718.db2.gz NQHVFNYBASFHOV-CYBMUJFWSA-N 1 2 270.323 2.219 20 10 CECDLO C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(F)cc(F)c1O ZINC000806664394 631763927 /nfs/dbraw/zinc/76/39/27/631763927.db2.gz OXHYBIWWMRJMGV-VIFPVBQESA-N 1 2 289.322 2.109 20 10 CECDLO Cc1noc(C2([NH2+]Cc3cc(F)ccc3O)CC2)n1 ZINC000897898057 631967610 /nfs/dbraw/zinc/96/76/10/631967610.db2.gz WPMACOPGHCRMIM-UHFFFAOYSA-N 1 2 263.272 2.002 20 10 CECDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)C1CC1 ZINC000809752981 632141148 /nfs/dbraw/zinc/14/11/48/632141148.db2.gz YPCNARFXRBFGFG-GFCCVEGCSA-N 1 2 273.735 2.387 20 10 CECDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)C1CC1 ZINC000809752981 632141150 /nfs/dbraw/zinc/14/11/50/632141150.db2.gz YPCNARFXRBFGFG-GFCCVEGCSA-N 1 2 273.735 2.387 20 10 CECDLO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000810257268 632200355 /nfs/dbraw/zinc/20/03/55/632200355.db2.gz OUGOYVOVYPCUMN-ONGXEEELSA-N 1 2 289.322 2.373 20 10 CECDLO O=C1C[C@]2([NH2+]Cc3cccc(Cl)c3O)CCCC[C@@H]2N1 ZINC000898463541 632506420 /nfs/dbraw/zinc/50/64/20/632506420.db2.gz UJXQFPNSYJNSTE-SWLSCSKDSA-N 1 2 294.782 2.337 20 10 CECDLO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000814180448 632802304 /nfs/dbraw/zinc/80/23/04/632802304.db2.gz OKQJLLSZTZUWDK-ZDUSSCGKSA-N 1 2 293.363 2.317 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)c1 ZINC000814180448 632802310 /nfs/dbraw/zinc/80/23/10/632802310.db2.gz OKQJLLSZTZUWDK-ZDUSSCGKSA-N 1 2 293.363 2.317 20 10 CECDLO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1cc(F)cc(F)c1O ZINC000815639773 633041550 /nfs/dbraw/zinc/04/15/50/633041550.db2.gz GWFIPQKFHXCFLF-SECBINFHSA-N 1 2 296.321 2.082 20 10 CECDLO CN(C)c1ccc(CN(C)C(=O)CNc2cccc[nH+]2)cc1 ZINC000900026137 633196222 /nfs/dbraw/zinc/19/62/22/633196222.db2.gz JSTCADIIXOTFGX-UHFFFAOYSA-N 1 2 298.390 2.218 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccon1 ZINC000816556024 633411929 /nfs/dbraw/zinc/41/19/29/633411929.db2.gz XHXHDYWFNLUPOC-UHFFFAOYSA-N 1 2 256.664 2.463 20 10 CECDLO CCOC(=O)C[N@H+](CCSC)Cc1ccccc1O ZINC000823576272 635219431 /nfs/dbraw/zinc/21/94/31/635219431.db2.gz KMTTVDYLFIVDNY-UHFFFAOYSA-N 1 2 283.393 2.120 20 10 CECDLO CCOC(=O)C[N@@H+](CCSC)Cc1ccccc1O ZINC000823576272 635219439 /nfs/dbraw/zinc/21/94/39/635219439.db2.gz KMTTVDYLFIVDNY-UHFFFAOYSA-N 1 2 283.393 2.120 20 10 CECDLO Cc1nnc(C[N@@H+](C)Cc2cc(Cl)ccc2O)o1 ZINC000827039180 636194599 /nfs/dbraw/zinc/19/45/99/636194599.db2.gz JNWZOKFUMQDRKF-UHFFFAOYSA-N 1 2 267.716 2.369 20 10 CECDLO Cc1nnc(C[N@H+](C)Cc2cc(Cl)ccc2O)o1 ZINC000827039180 636194604 /nfs/dbraw/zinc/19/46/04/636194604.db2.gz JNWZOKFUMQDRKF-UHFFFAOYSA-N 1 2 267.716 2.369 20 10 CECDLO Cc1nnc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)o1 ZINC000827039233 636195014 /nfs/dbraw/zinc/19/50/14/636195014.db2.gz LGHCDCRVYPISAH-UHFFFAOYSA-N 1 2 261.325 2.332 20 10 CECDLO Cc1nnc(C[N@H+](C)Cc2cc(C)c(C)cc2O)o1 ZINC000827039233 636195024 /nfs/dbraw/zinc/19/50/24/636195024.db2.gz LGHCDCRVYPISAH-UHFFFAOYSA-N 1 2 261.325 2.332 20 10 CECDLO COc1ccc2c(c1)CCC[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC000827377782 636310368 /nfs/dbraw/zinc/31/03/68/636310368.db2.gz FLBJGBAGIHSXMD-ZDUSSCGKSA-N 1 2 288.391 2.364 20 10 CECDLO COc1ccc2c(c1)CCC[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC000827377782 636310373 /nfs/dbraw/zinc/31/03/73/636310373.db2.gz FLBJGBAGIHSXMD-ZDUSSCGKSA-N 1 2 288.391 2.364 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(F)cc(F)c1O ZINC000834906626 637983865 /nfs/dbraw/zinc/98/38/65/637983865.db2.gz QTRUYLNGDTZSDN-MWODSPESSA-N 1 2 271.307 2.482 20 10 CECDLO CCOC(=O)C[N@H+](Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000164243888 639355255 /nfs/dbraw/zinc/35/52/55/639355255.db2.gz GHEDSWRBBGVRNX-UHFFFAOYSA-N 1 2 293.363 2.237 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000164243888 639355258 /nfs/dbraw/zinc/35/52/58/639355258.db2.gz GHEDSWRBBGVRNX-UHFFFAOYSA-N 1 2 293.363 2.237 20 10 CECDLO C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000841890516 639900568 /nfs/dbraw/zinc/90/05/68/639900568.db2.gz BZMPRVQNCPYAEO-LYWQIFSTSA-N 1 2 259.708 2.188 20 10 CECDLO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)[C@@H]2COC[C@H]2O1 ZINC000846119174 641192564 /nfs/dbraw/zinc/19/25/64/641192564.db2.gz YEGKYTXBWFZDLB-TZMCWYRMSA-N 1 2 297.782 2.424 20 10 CECDLO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2O)[C@@H]2COC[C@H]2O1 ZINC000846119174 641192571 /nfs/dbraw/zinc/19/25/71/641192571.db2.gz YEGKYTXBWFZDLB-TZMCWYRMSA-N 1 2 297.782 2.424 20 10 CECDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(Cl)ccc1O ZINC000848242439 641932573 /nfs/dbraw/zinc/93/25/73/641932573.db2.gz GJOBKTXHIUXQRK-VIFPVBQESA-N 1 2 293.754 2.264 20 10 CECDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(Cl)ccc1O ZINC000848242439 641932577 /nfs/dbraw/zinc/93/25/77/641932577.db2.gz GJOBKTXHIUXQRK-VIFPVBQESA-N 1 2 293.754 2.264 20 10 CECDLO CC[N@@H+](Cc1ccc(F)c(F)c1O)C[C@H](O)C(F)(F)F ZINC000877427945 650716436 /nfs/dbraw/zinc/71/64/36/650716436.db2.gz DPOIPMXAQOGEQB-VIFPVBQESA-N 1 2 299.239 2.416 20 10 CECDLO CC[N@H+](Cc1ccc(F)c(F)c1O)C[C@H](O)C(F)(F)F ZINC000877427945 650716438 /nfs/dbraw/zinc/71/64/38/650716438.db2.gz DPOIPMXAQOGEQB-VIFPVBQESA-N 1 2 299.239 2.416 20 10 CECDLO CCc1cccc(C[N@H+](CC(=O)OC)C2CC2)c1O ZINC000848891520 642174626 /nfs/dbraw/zinc/17/46/26/642174626.db2.gz ZQWPWDZBFJTSPS-UHFFFAOYSA-N 1 2 263.337 2.092 20 10 CECDLO CCc1cccc(C[N@@H+](CC(=O)OC)C2CC2)c1O ZINC000848891520 642174628 /nfs/dbraw/zinc/17/46/28/642174628.db2.gz ZQWPWDZBFJTSPS-UHFFFAOYSA-N 1 2 263.337 2.092 20 10 CECDLO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877464916 650731587 /nfs/dbraw/zinc/73/15/87/650731587.db2.gz OVNZDJOPHVVIBJ-CQSZACIVSA-N 1 2 271.307 2.407 20 10 CECDLO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877464916 650731588 /nfs/dbraw/zinc/73/15/88/650731588.db2.gz OVNZDJOPHVVIBJ-CQSZACIVSA-N 1 2 271.307 2.407 20 10 CECDLO CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cccc(Cl)c1O ZINC000850547002 642748780 /nfs/dbraw/zinc/74/87/80/642748780.db2.gz QJXAIFVHKKUSNA-CABZTGNLSA-N 1 2 282.771 2.365 20 10 CECDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nnnn1C1CC1 ZINC000922054096 642857642 /nfs/dbraw/zinc/85/76/42/642857642.db2.gz XYMNJAWMACZBPA-NSHDSACASA-N 1 2 299.378 2.184 20 10 CECDLO CCOC1C[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000839130768 644168251 /nfs/dbraw/zinc/16/82/51/644168251.db2.gz GPNVDPBOQDWRBK-WAYWQWQTSA-N 1 2 260.381 2.487 20 10 CECDLO C[C@H]([NH2+]CCSCCCO)c1cc(F)cc(F)c1O ZINC000756542679 644660869 /nfs/dbraw/zinc/66/08/69/644660869.db2.gz LGUDWILLZAPJOR-VIFPVBQESA-N 1 2 291.363 2.437 20 10 CECDLO C[N@H+](Cc1nc(CC2CC2)no1)Cc1ccccc1O ZINC000878242328 651044314 /nfs/dbraw/zinc/04/43/14/651044314.db2.gz OSCSDBJBSOMGRF-UHFFFAOYSA-N 1 2 273.336 2.360 20 10 CECDLO C[N@@H+](Cc1nc(CC2CC2)no1)Cc1ccccc1O ZINC000878242328 651044315 /nfs/dbraw/zinc/04/43/15/651044315.db2.gz OSCSDBJBSOMGRF-UHFFFAOYSA-N 1 2 273.336 2.360 20 10 CECDLO CN1C[C@H]([N@H+](C)Cc2cccc(Cl)c2O)CCC1=O ZINC000862428941 646456829 /nfs/dbraw/zinc/45/68/29/646456829.db2.gz XNHUVEWCJWPJKD-LLVKDONJSA-N 1 2 282.771 2.098 20 10 CECDLO CN1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2O)CCC1=O ZINC000862428941 646456838 /nfs/dbraw/zinc/45/68/38/646456838.db2.gz XNHUVEWCJWPJKD-LLVKDONJSA-N 1 2 282.771 2.098 20 10 CECDLO COC(=O)C(C)(C)[N@H+](C)Cc1cccc(Cl)c1O ZINC000775675236 646979188 /nfs/dbraw/zinc/97/91/88/646979188.db2.gz UXFIUSRIXCSUTJ-UHFFFAOYSA-N 1 2 271.744 2.429 20 10 CECDLO COC(=O)C(C)(C)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000775675236 646979191 /nfs/dbraw/zinc/97/91/91/646979191.db2.gz UXFIUSRIXCSUTJ-UHFFFAOYSA-N 1 2 271.744 2.429 20 10 CECDLO C[C@@H]1[C@H](C)N(Cc2cccc(F)c2O)CC[N@H+]1C ZINC000775983270 647013886 /nfs/dbraw/zinc/01/38/86/647013886.db2.gz BZEZUVMFZCQNKK-MNOVXSKESA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1[C@H](C)N(Cc2cccc(F)c2O)CC[N@@H+]1C ZINC000775983270 647013891 /nfs/dbraw/zinc/01/38/91/647013891.db2.gz BZEZUVMFZCQNKK-MNOVXSKESA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1[C@H](C)[N@H+](Cc2cccc(F)c2O)CCN1C ZINC000775983270 647013895 /nfs/dbraw/zinc/01/38/95/647013895.db2.gz BZEZUVMFZCQNKK-MNOVXSKESA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1[C@H](C)[N@@H+](Cc2cccc(F)c2O)CCN1C ZINC000775983270 647013898 /nfs/dbraw/zinc/01/38/98/647013898.db2.gz BZEZUVMFZCQNKK-MNOVXSKESA-N 1 2 252.333 2.056 20 10 CECDLO OCC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000776232501 647040576 /nfs/dbraw/zinc/04/05/76/647040576.db2.gz ZEPLEVZPZVKBSG-UHFFFAOYSA-N 1 2 259.708 2.047 20 10 CECDLO COc1cc(O)c(C[NH+]2CC(OC(C)(C)C)C2)cc1OC ZINC000872752019 649476807 /nfs/dbraw/zinc/47/68/07/649476807.db2.gz SQANTXAUHYRVPA-UHFFFAOYSA-N 1 2 295.379 2.409 20 10 CECDLO Cc1cc([NH2+]CCc2cc(O)c(O)cc2O)ccc1N ZINC001168005956 805661116 /nfs/dbraw/zinc/66/11/16/805661116.db2.gz PXUOZTOERCNPBB-UHFFFAOYSA-N 1 2 274.320 2.349 20 10 CECDLO CC(=O)N1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1C ZINC001140341909 802840590 /nfs/dbraw/zinc/84/05/90/802840590.db2.gz KCYWKCAJRCHAFG-SNVBAGLBSA-N 1 2 282.771 2.098 20 10 CECDLO CC(=O)N1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1C ZINC001140341909 802840596 /nfs/dbraw/zinc/84/05/96/802840596.db2.gz KCYWKCAJRCHAFG-SNVBAGLBSA-N 1 2 282.771 2.098 20 10 CECDLO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c(O)cc(F)cc2F)C1 ZINC001140585930 803187997 /nfs/dbraw/zinc/18/79/97/803187997.db2.gz WMBQPMHUSUGZGB-GFCCVEGCSA-N 1 2 298.333 2.113 20 10 CECDLO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c(O)cc(F)cc2F)C1 ZINC001140585930 803188002 /nfs/dbraw/zinc/18/80/02/803188002.db2.gz WMBQPMHUSUGZGB-GFCCVEGCSA-N 1 2 298.333 2.113 20 10 CECDLO CC(=O)N1CCC[C@H]([N@H+](C)Cc2c(O)cc(F)cc2F)C1 ZINC001140585931 803189032 /nfs/dbraw/zinc/18/90/32/803189032.db2.gz WMBQPMHUSUGZGB-LBPRGKRZSA-N 1 2 298.333 2.113 20 10 CECDLO Oc1c(F)cc(Br)cc1C[NH2+]C1CSC1 ZINC000715724199 814988176 /nfs/dbraw/zinc/98/81/76/814988176.db2.gz ZJXWSDBRPIVJQE-UHFFFAOYSA-N 1 2 292.173 2.499 20 10 CECDLO CCO[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703517063 809653860 /nfs/dbraw/zinc/65/38/60/809653860.db2.gz IFYMMLSOJULWJO-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO CCO[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703517063 809653864 /nfs/dbraw/zinc/65/38/64/809653864.db2.gz IFYMMLSOJULWJO-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO Cc1cc(C[NH2+]Cc2cc(F)cc(F)c2O)on1 ZINC000708536003 809945962 /nfs/dbraw/zinc/94/59/62/809945962.db2.gz SNJAEGLXBJZPBW-UHFFFAOYSA-N 1 2 254.236 2.257 20 10 CECDLO Oc1ccc(CNc2ccc(Cn3cc[nH+]c3)cn2)cc1O ZINC001169991081 811852336 /nfs/dbraw/zinc/85/23/36/811852336.db2.gz YJCXJBGDIMLERL-UHFFFAOYSA-N 1 2 296.330 2.350 20 10 CECDLO O=C(CNc1ccn2cc[nH+]c2c1)c1ccc(O)c(O)c1 ZINC001170314491 812385127 /nfs/dbraw/zinc/38/51/27/812385127.db2.gz ARPSNVSCMACFNB-UHFFFAOYSA-N 1 2 283.287 2.040 20 10 CECDLO CCN1CC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000712596102 814755790 /nfs/dbraw/zinc/75/57/90/814755790.db2.gz SQYXZMMRRZXMNU-NSHDSACASA-N 1 2 254.761 2.229 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCc2cccnc2C1 ZINC001137840218 815694731 /nfs/dbraw/zinc/69/47/31/815694731.db2.gz TUYOPECSMLEQGF-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCc2cccnc2C1 ZINC001137840218 815694733 /nfs/dbraw/zinc/69/47/33/815694733.db2.gz TUYOPECSMLEQGF-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CCC([NH+]2CCC2)CC1 ZINC001139690330 816085448 /nfs/dbraw/zinc/08/54/48/816085448.db2.gz USJPCJPYFQSNMA-UHFFFAOYSA-N 1 2 282.334 2.341 20 10 CECDLO COCc1noc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC001140054632 816177905 /nfs/dbraw/zinc/17/79/05/816177905.db2.gz UIKBRIWVURKSLJ-UHFFFAOYSA-N 1 2 292.310 2.224 20 10 CECDLO COCc1noc2c1C[N@@H+](Cc1cc(F)ccc1O)CC2 ZINC001140054632 816177907 /nfs/dbraw/zinc/17/79/07/816177907.db2.gz UIKBRIWVURKSLJ-UHFFFAOYSA-N 1 2 292.310 2.224 20 10 CECDLO O=C1CC[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1F ZINC001140058187 816180664 /nfs/dbraw/zinc/18/06/64/816180664.db2.gz TVPMZZMGQZBBDB-NSHDSACASA-N 1 2 255.264 2.034 20 10 CECDLO O=C1CC[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1F ZINC001140058187 816180666 /nfs/dbraw/zinc/18/06/66/816180666.db2.gz TVPMZZMGQZBBDB-NSHDSACASA-N 1 2 255.264 2.034 20 10 CECDLO CCOc1ccc(N2CC[NH+](Cc3ccncn3)CC2)cc1 ZINC001140348598 816241716 /nfs/dbraw/zinc/24/17/16/816241716.db2.gz CMVRNFDFFBWEKL-UHFFFAOYSA-N 1 2 298.390 2.198 20 10 CECDLO CO[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140579938 816288914 /nfs/dbraw/zinc/28/89/14/816288914.db2.gz NCUIAKBODYFJKR-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@@H](O)CC1 ZINC001140582104 816290699 /nfs/dbraw/zinc/29/06/99/816290699.db2.gz DDIVMCZXAKSIAW-SNVBAGLBSA-N 1 2 257.280 2.017 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001140582104 816290704 /nfs/dbraw/zinc/29/07/04/816290704.db2.gz DDIVMCZXAKSIAW-SNVBAGLBSA-N 1 2 257.280 2.017 20 10 CECDLO OC[C@]1(F)CCC[N@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140582651 816291338 /nfs/dbraw/zinc/29/13/38/816291338.db2.gz LQYQZKBFRIBUSZ-AWEZNQCLSA-N 1 2 289.297 2.357 20 10 CECDLO OC[C@]1(F)CCC[N@@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140582651 816291341 /nfs/dbraw/zinc/29/13/41/816291341.db2.gz LQYQZKBFRIBUSZ-AWEZNQCLSA-N 1 2 289.297 2.357 20 10 CECDLO CC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583460 816292393 /nfs/dbraw/zinc/29/23/93/816292393.db2.gz HRTCQKQJJWNTAP-JTQLQIEISA-N 1 2 269.291 2.471 20 10 CECDLO CC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583460 816292400 /nfs/dbraw/zinc/29/24/00/816292400.db2.gz HRTCQKQJJWNTAP-JTQLQIEISA-N 1 2 269.291 2.471 20 10 CECDLO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140584350 816292503 /nfs/dbraw/zinc/29/25/03/816292503.db2.gz OEJHAAKZTBBESF-CYBMUJFWSA-N 1 2 271.307 2.406 20 10 CECDLO CC(C)(O)[C@H]1CCC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140584350 816292505 /nfs/dbraw/zinc/29/25/05/816292505.db2.gz OEJHAAKZTBBESF-CYBMUJFWSA-N 1 2 271.307 2.406 20 10 CECDLO Oc1cc(F)cc(F)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001140584426 816293436 /nfs/dbraw/zinc/29/34/36/816293436.db2.gz QMZOLIGWNUHLCT-LBPRGKRZSA-N 1 2 282.334 2.341 20 10 CECDLO CCCOC1C[NH+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028587 816450606 /nfs/dbraw/zinc/45/06/06/816450606.db2.gz VXFOCZDHCLVGBF-UHFFFAOYSA-N 1 2 281.352 2.020 20 10 CECDLO CCOc1cccc(C[NH+]2CC(OC(F)F)C2)c1O ZINC000839145383 816563609 /nfs/dbraw/zinc/56/36/09/816563609.db2.gz SFKCBRKIPNSQDJ-UHFFFAOYSA-N 1 2 273.279 2.214 20 10 CECDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142526928 816680601 /nfs/dbraw/zinc/68/06/01/816680601.db2.gz CAZLWFCWHIUVNY-HZMBPMFUSA-N 1 2 269.291 2.424 20 10 CECDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142526928 816680605 /nfs/dbraw/zinc/68/06/05/816680605.db2.gz CAZLWFCWHIUVNY-HZMBPMFUSA-N 1 2 269.291 2.424 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@]12CCOC2 ZINC001142531062 816681233 /nfs/dbraw/zinc/68/12/33/816681233.db2.gz OJZAWZUYWXMHRS-CYBMUJFWSA-N 1 2 255.264 2.035 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@]12CCOC2 ZINC001142531062 816681236 /nfs/dbraw/zinc/68/12/36/816681236.db2.gz OJZAWZUYWXMHRS-CYBMUJFWSA-N 1 2 255.264 2.035 20 10 CECDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179637633 368346581 /nfs/dbraw/zinc/34/65/81/368346581.db2.gz BPBOKTMEHGSCOV-GFCCVEGCSA-N 1 2 282.771 2.098 20 10 CECDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179637633 368346586 /nfs/dbraw/zinc/34/65/86/368346586.db2.gz BPBOKTMEHGSCOV-GFCCVEGCSA-N 1 2 282.771 2.098 20 10 CECDLO Cn1ncc(Cl)c1C[N@H+](C)Cc1ccccc1O ZINC000189740241 369565666 /nfs/dbraw/zinc/56/56/66/369565666.db2.gz AFDMEGMENFPSIO-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO Cn1ncc(Cl)c1C[N@@H+](C)Cc1ccccc1O ZINC000189740241 369565667 /nfs/dbraw/zinc/56/56/67/369565667.db2.gz AFDMEGMENFPSIO-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(F)c1[O-] ZINC000191184766 369689332 /nfs/dbraw/zinc/68/93/32/369689332.db2.gz GIAYEDMPVXBXQW-SECBINFHSA-N 1 2 267.279 2.218 20 10 CECDLO COC[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000191381076 369707998 /nfs/dbraw/zinc/70/79/98/369707998.db2.gz JOKLGXRMIVOUQD-SECBINFHSA-N 1 2 289.734 2.032 20 10 CECDLO COC[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000191381076 369708002 /nfs/dbraw/zinc/70/80/02/369708002.db2.gz JOKLGXRMIVOUQD-SECBINFHSA-N 1 2 289.734 2.032 20 10 CECDLO C[N@H+](Cc1cocn1)Cc1ccc(N2CCOCC2)cc1 ZINC000191923297 369754299 /nfs/dbraw/zinc/75/42/99/369754299.db2.gz VMDQNPAOQPARDB-UHFFFAOYSA-N 1 2 287.363 2.143 20 10 CECDLO C[N@@H+](Cc1cocn1)Cc1ccc(N2CCOCC2)cc1 ZINC000191923297 369754303 /nfs/dbraw/zinc/75/43/03/369754303.db2.gz VMDQNPAOQPARDB-UHFFFAOYSA-N 1 2 287.363 2.143 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2CCOC[C@H]21 ZINC000366495800 373071197 /nfs/dbraw/zinc/07/11/97/373071197.db2.gz HLQVSQIXWPTQQA-TZMCWYRMSA-N 1 2 283.755 2.035 20 10 CECDLO CC[C@H]([NH2+][C@@H](CCO)COC)c1cccc(Cl)c1O ZINC000287740472 376305113 /nfs/dbraw/zinc/30/51/13/376305113.db2.gz PQLNGJJXAPRRGW-GWCFXTLKSA-N 1 2 287.787 2.484 20 10 CECDLO Cn1nncc1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000288385402 376375937 /nfs/dbraw/zinc/37/59/37/376375937.db2.gz GKQUNZJKCMLBOW-UHFFFAOYSA-N 1 2 287.150 2.117 20 10 CECDLO COc1cccc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000093773211 394669365 /nfs/dbraw/zinc/66/93/65/394669365.db2.gz ZSLLAHXSDQNXOE-NSHDSACASA-N 1 2 281.352 2.173 20 10 CECDLO COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000093773211 394669369 /nfs/dbraw/zinc/66/93/69/394669369.db2.gz ZSLLAHXSDQNXOE-NSHDSACASA-N 1 2 281.352 2.173 20 10 CECDLO C[C@H]([NH2+]CCOCC1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000273591900 394788248 /nfs/dbraw/zinc/78/82/48/394788248.db2.gz PLDADYFHHNRWMW-JTQLQIEISA-N 1 2 280.324 2.378 20 10 CECDLO CC[C@@H]([NH2+]C[C@@H](O)COC)c1cccc(Cl)c1O ZINC000287212032 395035544 /nfs/dbraw/zinc/03/55/44/395035544.db2.gz WYYXHHFUTZBPCL-BXKDBHETSA-N 1 2 273.760 2.094 20 10 CECDLO CCC[N@H+](CC(=O)OC)Cc1cc(F)cc(C(C)=O)c1O ZINC000176890408 395143897 /nfs/dbraw/zinc/14/38/97/395143897.db2.gz CKVDCGOJHDKIJB-UHFFFAOYSA-N 1 2 297.326 2.119 20 10 CECDLO CCC[N@@H+](CC(=O)OC)Cc1cc(F)cc(C(C)=O)c1O ZINC000176890408 395143901 /nfs/dbraw/zinc/14/39/01/395143901.db2.gz CKVDCGOJHDKIJB-UHFFFAOYSA-N 1 2 297.326 2.119 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000195018159 395456907 /nfs/dbraw/zinc/45/69/07/395456907.db2.gz HLKWOBBPABZNKS-CQSZACIVSA-N 1 2 283.755 2.037 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000195018159 395456913 /nfs/dbraw/zinc/45/69/13/395456913.db2.gz HLKWOBBPABZNKS-CQSZACIVSA-N 1 2 283.755 2.037 20 10 CECDLO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000188486206 262157174 /nfs/dbraw/zinc/15/71/74/262157174.db2.gz KSDOEVQREDAPBJ-SECBINFHSA-N 1 2 270.760 2.002 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCCCNC1=O ZINC000367725071 267113619 /nfs/dbraw/zinc/11/36/19/267113619.db2.gz RCDGQFZHILSYSC-GFCCVEGCSA-N 1 2 282.771 2.146 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCCCNC1=O ZINC000367725071 267113621 /nfs/dbraw/zinc/11/36/21/267113621.db2.gz RCDGQFZHILSYSC-GFCCVEGCSA-N 1 2 282.771 2.146 20 10 CECDLO Oc1ccc(Cl)c(F)c1CN1CCn2c[nH+]cc2C1 ZINC000368215514 267153143 /nfs/dbraw/zinc/15/31/43/267153143.db2.gz MSBDBPYGNLFBKU-UHFFFAOYSA-N 1 2 281.718 2.397 20 10 CECDLO Cc1nc(N(C)Cc2ccc(N(C)C)cc2)cc[nH+]1 ZINC000266127287 328167907 /nfs/dbraw/zinc/16/79/07/328167907.db2.gz CAIBRISPUFTXIY-UHFFFAOYSA-N 1 2 256.353 2.487 20 10 CECDLO O=C1NCC[N@@H+](Cc2ccccc2O)[C@@H]1c1ccccc1 ZINC000179565345 329209768 /nfs/dbraw/zinc/20/97/68/329209768.db2.gz MRWGIRNOXRCLPU-MRXNPFEDSA-N 1 2 282.343 2.065 20 10 CECDLO O=C1NCC[N@H+](Cc2ccccc2O)[C@@H]1c1ccccc1 ZINC000179565345 329209769 /nfs/dbraw/zinc/20/97/69/329209769.db2.gz MRWGIRNOXRCLPU-MRXNPFEDSA-N 1 2 282.343 2.065 20 10 CECDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1OC ZINC000274934352 520429065 /nfs/dbraw/zinc/42/90/65/520429065.db2.gz PCDRQVPXHKPIER-SCRDCRAPSA-N 1 2 285.771 2.328 20 10 CECDLO CC[C@H]([NH2+][C@@H](C)C(=O)NC)c1cccc(Cl)c1O ZINC000292006729 522684066 /nfs/dbraw/zinc/68/40/66/522684066.db2.gz YHESKARELRDLTC-KWQFWETISA-N 1 2 270.760 2.221 20 10 CECDLO COC(=O)C[N@H+](Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000125730239 523165999 /nfs/dbraw/zinc/16/59/99/523165999.db2.gz XWFDEDIIZSHKQZ-UHFFFAOYSA-N 1 2 282.359 2.275 20 10 CECDLO COC(=O)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000125730239 523166013 /nfs/dbraw/zinc/16/60/13/523166013.db2.gz XWFDEDIIZSHKQZ-UHFFFAOYSA-N 1 2 282.359 2.275 20 10 CECDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000280363186 524624764 /nfs/dbraw/zinc/62/47/64/524624764.db2.gz UOMJYSWZOWSSSE-XHDPSFHLSA-N 1 2 297.782 2.425 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000280363186 524624772 /nfs/dbraw/zinc/62/47/72/524624772.db2.gz UOMJYSWZOWSSSE-XHDPSFHLSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000289586352 526329232 /nfs/dbraw/zinc/32/92/32/526329232.db2.gz KEWDFEHEZWOYBJ-SNVBAGLBSA-N 1 2 275.270 2.387 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCOC[C@H]1CC(F)F ZINC000289586352 526329237 /nfs/dbraw/zinc/32/92/37/526329237.db2.gz KEWDFEHEZWOYBJ-SNVBAGLBSA-N 1 2 275.270 2.387 20 10 CECDLO COCC1([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000756851958 574824866 /nfs/dbraw/zinc/82/48/66/574824866.db2.gz XIMHKEXOELDYMX-VIFPVBQESA-N 1 2 266.297 2.130 20 10 CECDLO CC[C@@H]([NH2+]Cc1cnn(C)n1)c1cccc(Cl)c1O ZINC000806167193 622852549 /nfs/dbraw/zinc/85/25/49/622852549.db2.gz NZGMRSPRUKQJAJ-GFCCVEGCSA-N 1 2 280.759 2.415 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC000779199525 623398257 /nfs/dbraw/zinc/39/82/57/623398257.db2.gz CZLGFXCKJHLAOM-PELKAZGASA-N 1 2 273.735 2.387 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC000779199525 623398267 /nfs/dbraw/zinc/39/82/67/623398267.db2.gz CZLGFXCKJHLAOM-PELKAZGASA-N 1 2 273.735 2.387 20 10 CECDLO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000840975467 628980322 /nfs/dbraw/zinc/98/03/22/628980322.db2.gz YNTCISQMXNQYRK-MRVPVSSYSA-N 1 2 288.750 2.187 20 10 CECDLO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cccc(Cl)c1O ZINC000895747913 630323562 /nfs/dbraw/zinc/32/35/62/630323562.db2.gz JIYRVDLMPJOPAD-NEPJUHHUSA-N 1 2 285.771 2.065 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](OC)C2)cc1 ZINC000895968342 630422115 /nfs/dbraw/zinc/42/21/15/630422115.db2.gz AZLCOIDYDBRKSM-INIZCTEOSA-N 1 2 278.396 2.338 20 10 CECDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](OC)C2)cc1 ZINC000895968342 630422116 /nfs/dbraw/zinc/42/21/16/630422116.db2.gz AZLCOIDYDBRKSM-INIZCTEOSA-N 1 2 278.396 2.338 20 10 CECDLO OCCC1CC([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000898008858 632000312 /nfs/dbraw/zinc/00/03/12/632000312.db2.gz XRQJICREMVHVSW-UHFFFAOYSA-N 1 2 255.745 2.296 20 10 CECDLO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ncn(C)n2)c1O ZINC000808709101 632004273 /nfs/dbraw/zinc/00/42/73/632004273.db2.gz BUPMDPKCYGONHE-VIFPVBQESA-N 1 2 280.759 2.333 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCOC1 ZINC000809783520 632145930 /nfs/dbraw/zinc/14/59/30/632145930.db2.gz GFEJJYGAKMAZTC-JTQLQIEISA-N 1 2 259.708 2.453 20 10 CECDLO COCCOCC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000809789926 632146475 /nfs/dbraw/zinc/14/64/75/632146475.db2.gz NTDUKXXAQOTZII-UHFFFAOYSA-N 1 2 291.750 2.280 20 10 CECDLO COCCOCC[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000809789926 632146481 /nfs/dbraw/zinc/14/64/81/632146481.db2.gz NTDUKXXAQOTZII-UHFFFAOYSA-N 1 2 291.750 2.280 20 10 CECDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H](C)CO ZINC000814169648 632797611 /nfs/dbraw/zinc/79/76/11/632797611.db2.gz LKJVRCKRANDPPO-MRVPVSSYSA-N 1 2 261.724 2.387 20 10 CECDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H](C)CO ZINC000814169648 632797614 /nfs/dbraw/zinc/79/76/14/632797614.db2.gz LKJVRCKRANDPPO-MRVPVSSYSA-N 1 2 261.724 2.387 20 10 CECDLO COc1c(O)c(C[NH2+]CC(C)(F)F)ccc1[N+](=O)[O-] ZINC000816643241 633454892 /nfs/dbraw/zinc/45/48/92/633454892.db2.gz YUYDLQOHZCDMCF-UHFFFAOYSA-N 1 2 276.239 2.054 20 10 CECDLO Oc1c(Br)cccc1C[NH+]1CC2(C1)CCOC2 ZINC000816670069 633460283 /nfs/dbraw/zinc/46/02/83/633460283.db2.gz LCIAEWPDWUQXFW-UHFFFAOYSA-N 1 2 298.180 2.377 20 10 CECDLO O=C(Cc1c[nH]c[nH+]1)NCc1ccc(N2CCCCC2)cc1 ZINC000900405385 633706023 /nfs/dbraw/zinc/70/60/23/633706023.db2.gz WBFCOJXSNYFWCI-UHFFFAOYSA-N 1 2 298.390 2.259 20 10 CECDLO C[C@H](N[C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817942493 633791329 /nfs/dbraw/zinc/79/13/29/633791329.db2.gz ZZWDYNHNNAVDCA-WPRPVWTQSA-N 1 2 256.296 2.073 20 10 CECDLO CC[C@H](NCC(F)(F)C[NH3+])c1ccc(F)cc1O ZINC000817967402 633810608 /nfs/dbraw/zinc/81/06/08/633810608.db2.gz HIESICWAUUOOJP-JTQLQIEISA-N 1 2 262.275 2.166 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000817970113 633814284 /nfs/dbraw/zinc/81/42/84/633814284.db2.gz LIVYJOMIDLPOCU-JGVFFNPUSA-N 1 2 262.275 2.409 20 10 CECDLO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000841091386 637766980 /nfs/dbraw/zinc/76/69/80/637766980.db2.gz WRRGZIGDHTZJGS-LLVKDONJSA-N 1 2 254.761 2.277 20 10 CECDLO C[C@H]([NH2+]CCC1(CO)CC1)c1cc(F)cc(F)c1O ZINC000834896869 637980116 /nfs/dbraw/zinc/98/01/16/637980116.db2.gz OPNBYZBYPAHLEE-VIFPVBQESA-N 1 2 271.307 2.484 20 10 CECDLO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000876756000 650422722 /nfs/dbraw/zinc/42/27/22/650422722.db2.gz NUDUQZGLTWUAQL-GFCCVEGCSA-N 1 2 275.270 2.464 20 10 CECDLO Cc1cccc(O)c1C[N@H+]1CCO[C@@H](C(F)(F)F)C1 ZINC000876756000 650422723 /nfs/dbraw/zinc/42/27/23/650422723.db2.gz NUDUQZGLTWUAQL-GFCCVEGCSA-N 1 2 275.270 2.464 20 10 CECDLO CO[C@H](C[NH2+]Cc1ccc(F)c(F)c1O)C(F)(F)F ZINC000877027371 650537172 /nfs/dbraw/zinc/53/71/72/650537172.db2.gz NSKNRBYBIIWTRL-MRVPVSSYSA-N 1 2 285.212 2.337 20 10 CECDLO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000842928897 640222047 /nfs/dbraw/zinc/22/20/47/640222047.db2.gz KSXGPGLWFDXTHH-MRTMQBJTSA-N 1 2 257.280 2.498 20 10 CECDLO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000842928899 640222151 /nfs/dbraw/zinc/22/21/51/640222151.db2.gz KSXGPGLWFDXTHH-WEDXCCLWSA-N 1 2 257.280 2.498 20 10 CECDLO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000843048407 640252561 /nfs/dbraw/zinc/25/25/61/640252561.db2.gz QKSJRUQPOLCGNI-SNVBAGLBSA-N 1 2 299.212 2.244 20 10 CECDLO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000843048407 640252563 /nfs/dbraw/zinc/25/25/63/640252563.db2.gz QKSJRUQPOLCGNI-SNVBAGLBSA-N 1 2 299.212 2.244 20 10 CECDLO Cc1cc(Br)c(O)c(CN2CC[C@H](C[NH3+])C2)c1 ZINC000843048407 640252565 /nfs/dbraw/zinc/25/25/65/640252565.db2.gz QKSJRUQPOLCGNI-SNVBAGLBSA-N 1 2 299.212 2.244 20 10 CECDLO Cc1nc(N(C)C)nc(NCc2cc(Cl)ccc2O)[nH+]1 ZINC000845709938 641055175 /nfs/dbraw/zinc/05/51/75/641055175.db2.gz ZNNKJYIGLULCPA-UHFFFAOYSA-N 1 2 293.758 2.217 20 10 CECDLO CC[C@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccccc1O ZINC000846845463 641450725 /nfs/dbraw/zinc/45/07/25/641450725.db2.gz WNRWKLFMNKNPJB-LBPRGKRZSA-N 1 2 289.383 2.375 20 10 CECDLO COc1c(N)[nH+]cnc1NCc1ccc(N2CCCC2)cc1 ZINC000848645221 642086849 /nfs/dbraw/zinc/08/68/49/642086849.db2.gz CYCPAOQVZRQECW-UHFFFAOYSA-N 1 2 299.378 2.280 20 10 CECDLO COc1c(N)nc[nH+]c1NCc1ccc(N2CCCC2)cc1 ZINC000848645221 642086858 /nfs/dbraw/zinc/08/68/58/642086858.db2.gz CYCPAOQVZRQECW-UHFFFAOYSA-N 1 2 299.378 2.280 20 10 CECDLO CCc1cccc(C[NH+]2CC(OC(=O)NC(C)C)C2)c1O ZINC000848915934 642190158 /nfs/dbraw/zinc/19/01/58/642190158.db2.gz BVAOMSXKHCTQJW-UHFFFAOYSA-N 1 2 292.379 2.273 20 10 CECDLO CCOc1ccc(O)c(C[N@H+](C)Cc2nc(C)no2)c1 ZINC000848927531 642197727 /nfs/dbraw/zinc/19/77/27/642197727.db2.gz HCKFVESVJDUBLT-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2nc(C)no2)c1 ZINC000848927531 642197732 /nfs/dbraw/zinc/19/77/32/642197732.db2.gz HCKFVESVJDUBLT-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)[C@H]1C ZINC000877465853 650732513 /nfs/dbraw/zinc/73/25/13/650732513.db2.gz BWDSSCRGXJQJRZ-WPRPVWTQSA-N 1 2 285.290 2.054 20 10 CECDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)[C@H]1C ZINC000877465853 650732516 /nfs/dbraw/zinc/73/25/16/650732516.db2.gz BWDSSCRGXJQJRZ-WPRPVWTQSA-N 1 2 285.290 2.054 20 10 CECDLO COCc1n[nH]c(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)n1 ZINC000850513205 642736328 /nfs/dbraw/zinc/73/63/28/642736328.db2.gz FPNUDFQWOMHKSM-NSHDSACASA-N 1 2 290.367 2.124 20 10 CECDLO COCc1n[nH]c(C[NH2+][C@@H](C)c2ccc(Cl)cc2O)n1 ZINC000850517728 642736992 /nfs/dbraw/zinc/73/69/92/642736992.db2.gz ZWGZVOJUCJLJEH-QMMMGPOBSA-N 1 2 296.758 2.161 20 10 CECDLO COc1ccc(N2CC[C@@H](Nc3cc[nH+]c(C)n3)C2)cc1 ZINC000853758183 643892640 /nfs/dbraw/zinc/89/26/40/643892640.db2.gz BDVSYBRMRNKFEU-CYBMUJFWSA-N 1 2 284.363 2.484 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000789585459 644263721 /nfs/dbraw/zinc/26/37/21/644263721.db2.gz AAGDIFNNMWAVQK-GZMMTYOYSA-N 1 2 273.735 2.435 20 10 CECDLO O=C1NCCC12CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC000877782547 650909145 /nfs/dbraw/zinc/90/91/45/650909145.db2.gz DDWJBSANNWIUHN-UHFFFAOYSA-N 1 2 294.782 2.148 20 10 CECDLO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cc(F)cc(F)c1O ZINC000756459816 644651668 /nfs/dbraw/zinc/65/16/68/644651668.db2.gz XNNIFJYWJQSJJG-KOLCDFICSA-N 1 2 270.323 2.415 20 10 CECDLO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(F)cc(F)c1O ZINC000756478038 644652386 /nfs/dbraw/zinc/65/23/86/644652386.db2.gz DNOWMIXLYZJVEZ-SECBINFHSA-N 1 2 286.322 2.189 20 10 CECDLO C[C@H]([NH2+]CCN1CCC1)c1cc(F)cc(F)c1O ZINC000756769190 644690187 /nfs/dbraw/zinc/69/01/87/644690187.db2.gz OSQAOKNGCPTWMR-VIFPVBQESA-N 1 2 256.296 2.027 20 10 CECDLO C[C@H]([NH2+]CC(C)(C)CO)c1cc(F)cc(F)c1O ZINC000756762406 644690636 /nfs/dbraw/zinc/69/06/36/644690636.db2.gz ZMYIJZGFVORLBC-QMMMGPOBSA-N 1 2 259.296 2.340 20 10 CECDLO Cn1ccc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC000761225883 645259334 /nfs/dbraw/zinc/25/93/34/645259334.db2.gz JPKNKQBLTPCUFU-UHFFFAOYSA-N 1 2 283.734 2.251 20 10 CECDLO CC[C@@H]1[NH2+]CC[C@H]1NCc1cccc(Cl)c1O ZINC000863481245 646739194 /nfs/dbraw/zinc/73/91/94/646739194.db2.gz DFHWLAUQAUUJII-NWDGAFQWSA-N 1 2 254.761 2.276 20 10 CECDLO COCC[C@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000775204593 646930415 /nfs/dbraw/zinc/93/04/15/646930415.db2.gz PUZDBXJGORGOCM-AWEZNQCLSA-N 1 2 285.771 2.331 20 10 CECDLO COC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776232128 647040627 /nfs/dbraw/zinc/04/06/27/647040627.db2.gz SGPPCTNCOHAQHS-CYBMUJFWSA-N 1 2 291.750 2.062 20 10 CECDLO OC[C@H](CC1CC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776252376 647042701 /nfs/dbraw/zinc/04/27/01/647042701.db2.gz SJDLYBVLQFLADX-NSHDSACASA-N 1 2 273.735 2.435 20 10 CECDLO CC(=O)NC1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882955853 652287532 /nfs/dbraw/zinc/28/75/32/652287532.db2.gz ULJPTSDJUSDCID-UHFFFAOYSA-N 1 2 298.333 2.207 20 10 CECDLO C[C@H]1C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000722381434 804402777 /nfs/dbraw/zinc/40/27/77/804402777.db2.gz CONFQYXOZPYEJV-QMMMGPOBSA-N 1 2 275.179 2.493 20 10 CECDLO Cc1cn[nH]c1C[NH2+]Cc1cccc(Cl)c1O ZINC000716502470 815133708 /nfs/dbraw/zinc/13/37/08/815133708.db2.gz YDDBUECBRJPNSW-UHFFFAOYSA-N 1 2 251.717 2.367 20 10 CECDLO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(F)c1O ZINC000703457311 809650455 /nfs/dbraw/zinc/65/04/55/809650455.db2.gz CNZPWXQEOSMULM-CMPLNLGQSA-N 1 2 282.334 2.339 20 10 CECDLO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(F)c1O ZINC000703457311 809650457 /nfs/dbraw/zinc/65/04/57/809650457.db2.gz CNZPWXQEOSMULM-CMPLNLGQSA-N 1 2 282.334 2.339 20 10 CECDLO C[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)CC1(C)C ZINC000703515632 809654199 /nfs/dbraw/zinc/65/41/99/809654199.db2.gz CMQPRJXBRVMFQB-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO C[N@H+]1CCN(Cc2ccc(F)c(F)c2O)CC1(C)C ZINC000703515632 809654201 /nfs/dbraw/zinc/65/42/01/809654201.db2.gz CMQPRJXBRVMFQB-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO C[C@H](O)C[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708159559 809922741 /nfs/dbraw/zinc/92/27/41/809922741.db2.gz ZKGCDSNMELHNDH-LURJTMIESA-N 1 2 294.576 2.279 20 10 CECDLO CN(Cc1cc(F)cc(F)c1O)C[C@@H]1CCC[N@@H+]1C ZINC000708397303 809927968 /nfs/dbraw/zinc/92/79/68/809927968.db2.gz BCUJMLIPDMHECE-LBPRGKRZSA-N 1 2 270.323 2.196 20 10 CECDLO CN(Cc1cc(F)cc(F)c1O)C[C@@H]1CCC[N@H+]1C ZINC000708397303 809927971 /nfs/dbraw/zinc/92/79/71/809927971.db2.gz BCUJMLIPDMHECE-LBPRGKRZSA-N 1 2 270.323 2.196 20 10 CECDLO C[C@H](CCCCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708481771 809930958 /nfs/dbraw/zinc/93/09/58/809930958.db2.gz UMSQHWJDVCXHBJ-SECBINFHSA-N 1 2 259.296 2.311 20 10 CECDLO CC1CCN(CC[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708559311 809945251 /nfs/dbraw/zinc/94/52/51/809945251.db2.gz PBUQTJWPZNCDAD-UHFFFAOYSA-N 1 2 284.350 2.492 20 10 CECDLO CN1CCC[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]21 ZINC001137840243 815696045 /nfs/dbraw/zinc/69/60/45/815696045.db2.gz UKTRTTVWNATNAY-RISCZKNCSA-N 1 2 264.344 2.057 20 10 CECDLO CN1CCC[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]21 ZINC001137840243 815696047 /nfs/dbraw/zinc/69/60/47/815696047.db2.gz UKTRTTVWNATNAY-RISCZKNCSA-N 1 2 264.344 2.057 20 10 CECDLO Cc1cc(C[NH+]2CC(O)C2)c(C)n1-c1ccccc1 ZINC001137853903 815696929 /nfs/dbraw/zinc/69/69/29/815696929.db2.gz AGQVARVXBMSLSA-UHFFFAOYSA-N 1 2 256.349 2.271 20 10 CECDLO FC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138497134 815817262 /nfs/dbraw/zinc/81/72/62/815817262.db2.gz ZGBYSMMEGVOMDQ-HOCLYGCPSA-N 1 2 296.361 2.405 20 10 CECDLO FC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138497134 815817268 /nfs/dbraw/zinc/81/72/68/815817268.db2.gz ZGBYSMMEGVOMDQ-HOCLYGCPSA-N 1 2 296.361 2.405 20 10 CECDLO CO[C@@H]1CC[N@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139125060 815964784 /nfs/dbraw/zinc/96/47/84/815964784.db2.gz KGQFTRJEOOAJKJ-LLVKDONJSA-N 1 2 289.331 2.028 20 10 CECDLO CO[C@@H]1CC[N@@H+](Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139125060 815964788 /nfs/dbraw/zinc/96/47/88/815964788.db2.gz KGQFTRJEOOAJKJ-LLVKDONJSA-N 1 2 289.331 2.028 20 10 CECDLO CC[N@@H+]1CCCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139685638 816075377 /nfs/dbraw/zinc/07/53/77/816075377.db2.gz RBBTZQSSJGVWKK-UHFFFAOYSA-N 1 2 270.323 2.198 20 10 CECDLO CC[N@H+]1CCCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139685638 816075383 /nfs/dbraw/zinc/07/53/83/816075383.db2.gz RBBTZQSSJGVWKK-UHFFFAOYSA-N 1 2 270.323 2.198 20 10 CECDLO Oc1ccc(F)cc1C[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001140055103 816178778 /nfs/dbraw/zinc/17/87/78/816178778.db2.gz JADOVYAXCFXUOE-UHFFFAOYSA-N 1 2 286.297 2.057 20 10 CECDLO CC(C)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140464125 816259644 /nfs/dbraw/zinc/25/96/44/816259644.db2.gz CIIGWGNLZRJWFV-UHFFFAOYSA-N 1 2 296.798 2.346 20 10 CECDLO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583839 816292675 /nfs/dbraw/zinc/29/26/75/816292675.db2.gz VQZQXCVOLYTZCY-UWVGGRQHSA-N 1 2 299.317 2.301 20 10 CECDLO COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583839 816292681 /nfs/dbraw/zinc/29/26/81/816292681.db2.gz VQZQXCVOLYTZCY-UWVGGRQHSA-N 1 2 299.317 2.301 20 10 CECDLO O=C1CCC[C@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]12 ZINC001140584861 816294990 /nfs/dbraw/zinc/29/49/90/816294990.db2.gz HRLDVVDQBMDTME-GXSJLCMTSA-N 1 2 281.302 2.471 20 10 CECDLO O=C1CCC[C@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]12 ZINC001140584861 816294994 /nfs/dbraw/zinc/29/49/94/816294994.db2.gz HRLDVVDQBMDTME-GXSJLCMTSA-N 1 2 281.302 2.471 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001140585387 816295427 /nfs/dbraw/zinc/29/54/27/816295427.db2.gz HUAHWWKIEACYHB-NSHDSACASA-N 1 2 294.305 2.099 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001140585387 816295433 /nfs/dbraw/zinc/29/54/33/816295433.db2.gz HUAHWWKIEACYHB-NSHDSACASA-N 1 2 294.305 2.099 20 10 CECDLO Cc1c(O)ccc(C[NH+]2CC3(C2)CC(F)(F)CO3)c1O ZINC001140748193 816342491 /nfs/dbraw/zinc/34/24/91/816342491.db2.gz UJWATRFKDXWVNV-UHFFFAOYSA-N 1 2 285.290 2.016 20 10 CECDLO Cn1cc(C[N@H+](C)Cc2cc(F)c(F)cc2O)cn1 ZINC001142502770 816675938 /nfs/dbraw/zinc/67/59/38/816675938.db2.gz XJLAWEHZYNWPTC-UHFFFAOYSA-N 1 2 267.279 2.036 20 10 CECDLO Cn1cc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)cn1 ZINC001142502770 816675943 /nfs/dbraw/zinc/67/59/43/816675943.db2.gz XJLAWEHZYNWPTC-UHFFFAOYSA-N 1 2 267.279 2.036 20 10 CECDLO CC(=O)[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143116797 816787690 /nfs/dbraw/zinc/78/76/90/816787690.db2.gz KYMVMCNEWDZKEV-OAHLLOKOSA-N 1 2 291.391 2.480 20 10 CECDLO CC(=O)[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143116797 816787694 /nfs/dbraw/zinc/78/76/94/816787694.db2.gz KYMVMCNEWDZKEV-OAHLLOKOSA-N 1 2 291.391 2.480 20 10 CECDLO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000224857260 295662888 /nfs/dbraw/zinc/66/28/88/295662888.db2.gz YIZRZCDUJWIREW-LDYMZIIASA-N 1 2 275.801 2.248 20 10 CECDLO Cc1cc(Cl)cc(C[N@@H+]2CCNC(=O)C2(C)C)c1O ZINC000180051062 368366986 /nfs/dbraw/zinc/36/69/86/368366986.db2.gz DCELBEPUDKCVFR-UHFFFAOYSA-N 1 2 282.771 2.064 20 10 CECDLO Cc1cc(Cl)cc(C[N@H+]2CCNC(=O)C2(C)C)c1O ZINC000180051062 368366989 /nfs/dbraw/zinc/36/69/89/368366989.db2.gz DCELBEPUDKCVFR-UHFFFAOYSA-N 1 2 282.771 2.064 20 10 CECDLO COc1cccc(C[N@H+](C)Cc2ncc(Cl)n2C)c1O ZINC000181148846 368425803 /nfs/dbraw/zinc/42/58/03/368425803.db2.gz GPNPOKNJSUQTKA-UHFFFAOYSA-N 1 2 295.770 2.420 20 10 CECDLO COc1cccc(C[N@@H+](C)Cc2ncc(Cl)n2C)c1O ZINC000181148846 368425808 /nfs/dbraw/zinc/42/58/08/368425808.db2.gz GPNPOKNJSUQTKA-UHFFFAOYSA-N 1 2 295.770 2.420 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(F)c(F)c1O ZINC000187755847 369218244 /nfs/dbraw/zinc/21/82/44/369218244.db2.gz JMFKMDVSEZACOI-DTWKUNHWSA-N 1 2 259.296 2.482 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364505094 372743209 /nfs/dbraw/zinc/74/32/09/372743209.db2.gz DGDKKIGRJXVADM-NSHDSACASA-N 1 2 278.743 2.084 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000364505094 372743214 /nfs/dbraw/zinc/74/32/14/372743214.db2.gz DGDKKIGRJXVADM-NSHDSACASA-N 1 2 278.743 2.084 20 10 CECDLO COC(=O)[C@]1(F)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000271879117 373204552 /nfs/dbraw/zinc/20/45/52/373204552.db2.gz UODSFTNXRYJYDO-ZDUSSCGKSA-N 1 2 287.718 2.133 20 10 CECDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271879117 373204557 /nfs/dbraw/zinc/20/45/57/373204557.db2.gz UODSFTNXRYJYDO-ZDUSSCGKSA-N 1 2 287.718 2.133 20 10 CECDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000272234639 373375945 /nfs/dbraw/zinc/37/59/45/373375945.db2.gz FKNHJSISNLTIBC-ZDUSSCGKSA-N 1 2 281.327 2.449 20 10 CECDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000272234639 373375950 /nfs/dbraw/zinc/37/59/50/373375950.db2.gz FKNHJSISNLTIBC-ZDUSSCGKSA-N 1 2 281.327 2.449 20 10 CECDLO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(Cl)c(Cl)c1O ZINC000295982603 378381067 /nfs/dbraw/zinc/38/10/67/378381067.db2.gz OWWPCNURXXSAJR-WQGWLQIFSA-N 1 2 292.162 2.109 20 10 CECDLO Cc1cccc2c1N(C(=O)C=Cc1c[nH]c[nH+]1)CC2 ZINC000492807776 380696453 /nfs/dbraw/zinc/69/64/53/380696453.db2.gz BSKDMJFWHLCFSQ-WAYWQWQTSA-N 1 2 253.305 2.321 20 10 CECDLO CN(C)C(=O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000132119351 394925307 /nfs/dbraw/zinc/92/53/07/394925307.db2.gz WAVATJMTNMQICQ-UHFFFAOYSA-N 1 2 291.178 2.219 20 10 CECDLO CN(C)C(=O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000132119351 394925310 /nfs/dbraw/zinc/92/53/10/394925310.db2.gz WAVATJMTNMQICQ-UHFFFAOYSA-N 1 2 291.178 2.219 20 10 CECDLO CN1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000283944708 394939022 /nfs/dbraw/zinc/93/90/22/394939022.db2.gz KXTHLNVPUSXERD-BQYQJAHWSA-N 1 2 282.347 2.296 20 10 CECDLO OC[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3O)C[C@H]12 ZINC000368352509 394985491 /nfs/dbraw/zinc/98/54/91/394985491.db2.gz SKZQKLKTUSWCEG-URLYPYJESA-N 1 2 288.174 2.369 20 10 CECDLO OC[C@H]1[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3O)C[C@H]12 ZINC000368352509 394985495 /nfs/dbraw/zinc/98/54/95/394985495.db2.gz SKZQKLKTUSWCEG-URLYPYJESA-N 1 2 288.174 2.369 20 10 CECDLO COc1c(O)c(C[N@@H+]2CCC[C@H]2CF)ccc1[N+](=O)[O-] ZINC000293864891 395255026 /nfs/dbraw/zinc/25/50/26/395255026.db2.gz CGEXWZOZBSVZQV-JTQLQIEISA-N 1 2 284.287 2.243 20 10 CECDLO COc1c(O)c(C[N@H+]2CCC[C@H]2CF)ccc1[N+](=O)[O-] ZINC000293864891 395255033 /nfs/dbraw/zinc/25/50/33/395255033.db2.gz CGEXWZOZBSVZQV-JTQLQIEISA-N 1 2 284.287 2.243 20 10 CECDLO COC(=O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000183486795 395258100 /nfs/dbraw/zinc/25/81/00/395258100.db2.gz FJDYACKLVPIXLC-UHFFFAOYSA-N 1 2 283.755 2.431 20 10 CECDLO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000276947818 263038757 /nfs/dbraw/zinc/03/87/57/263038757.db2.gz QJPSZPUQWBWUON-XRGYYRRGSA-N 1 2 285.212 2.244 20 10 CECDLO COc1ccc(O)c([C@H](C)[N@@H+]2CC(F)(F)C[C@H]2CO)c1 ZINC000368035247 267139487 /nfs/dbraw/zinc/13/94/87/267139487.db2.gz FFASVPOUEBDZAE-UWVGGRQHSA-N 1 2 287.306 2.164 20 10 CECDLO COc1ccc(O)c([C@H](C)[N@H+]2CC(F)(F)C[C@H]2CO)c1 ZINC000368035247 267139489 /nfs/dbraw/zinc/13/94/89/267139489.db2.gz FFASVPOUEBDZAE-UWVGGRQHSA-N 1 2 287.306 2.164 20 10 CECDLO COC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000219136450 329147393 /nfs/dbraw/zinc/14/73/93/329147393.db2.gz XDYCXJYCAQEPCX-SNVBAGLBSA-N 1 2 294.178 2.186 20 10 CECDLO COc1cccc(C[NH2+][C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000158060629 500859772 /nfs/dbraw/zinc/85/97/72/500859772.db2.gz GJNWJEUIMFNZLL-JTQLQIEISA-N 1 2 281.352 2.221 20 10 CECDLO CCOC1CC(O)(C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000278786916 521652862 /nfs/dbraw/zinc/65/28/62/521652862.db2.gz WDPUXUZSXXERLX-UHFFFAOYSA-N 1 2 285.771 2.065 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1F ZINC000289799160 522181447 /nfs/dbraw/zinc/18/14/47/522181447.db2.gz MQDJSLCZNQNXAX-OAHLLOKOSA-N 1 2 284.350 2.188 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCC[C@](F)(CO)C2)cc1F ZINC000289799160 522181453 /nfs/dbraw/zinc/18/14/53/522181453.db2.gz MQDJSLCZNQNXAX-OAHLLOKOSA-N 1 2 284.350 2.188 20 10 CECDLO C[N@H+](CCCn1ccnc1)Cc1cccc(F)c1O ZINC000290384014 522805316 /nfs/dbraw/zinc/80/53/16/522805316.db2.gz IHHCWODMEKTUJC-UHFFFAOYSA-N 1 2 263.316 2.250 20 10 CECDLO C[N@@H+](CCCn1ccnc1)Cc1cccc(F)c1O ZINC000290384014 522805326 /nfs/dbraw/zinc/80/53/26/522805326.db2.gz IHHCWODMEKTUJC-UHFFFAOYSA-N 1 2 263.316 2.250 20 10 CECDLO C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1[O-] ZINC000290384014 522805336 /nfs/dbraw/zinc/80/53/36/522805336.db2.gz IHHCWODMEKTUJC-UHFFFAOYSA-N 1 2 263.316 2.250 20 10 CECDLO C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1[O-] ZINC000290384014 522805344 /nfs/dbraw/zinc/80/53/44/522805344.db2.gz IHHCWODMEKTUJC-UHFFFAOYSA-N 1 2 263.316 2.250 20 10 CECDLO CC[C@](C)([NH2+]Cc1ccc(N(C)C)cc1)C(=O)OC ZINC000293105816 523486839 /nfs/dbraw/zinc/48/68/39/523486839.db2.gz JMDSPJKQKDEDLA-HNNXBMFYSA-N 1 2 264.369 2.184 20 10 CECDLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccccc1O ZINC000036980435 523570076 /nfs/dbraw/zinc/57/00/76/523570076.db2.gz FHNMRIPJJUJRBT-GFCCVEGCSA-N 1 2 251.326 2.070 20 10 CECDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cccc(Cl)c1O ZINC000131040985 524878428 /nfs/dbraw/zinc/87/84/28/524878428.db2.gz JUQJAQWLMOTIMH-HUTHGQBESA-N 1 2 275.801 2.244 20 10 CECDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000131040985 524878438 /nfs/dbraw/zinc/87/84/38/524878438.db2.gz JUQJAQWLMOTIMH-HUTHGQBESA-N 1 2 275.801 2.244 20 10 CECDLO C[C@@H]([NH2+]CC1(C)OCCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000277101394 525419700 /nfs/dbraw/zinc/41/97/00/525419700.db2.gz HBCAINVKUQRSTG-SNVBAGLBSA-N 1 2 296.323 2.104 20 10 CECDLO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(F)c(F)c1O ZINC000289759062 525467561 /nfs/dbraw/zinc/46/75/61/525467561.db2.gz LOCIIANTRDXCJI-MRVPVSSYSA-N 1 2 267.279 2.287 20 10 CECDLO Oc1ccc(F)cc1C[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000365671249 526345949 /nfs/dbraw/zinc/34/59/49/526345949.db2.gz ZNJPMYJBLKZLOT-UHFFFAOYSA-N 1 2 291.297 2.374 20 10 CECDLO OCCCC[N@H+](Cc1cc(F)cc(F)c1O)C1CC1 ZINC000894021401 629086086 /nfs/dbraw/zinc/08/60/86/629086086.db2.gz SDHPYPNPSAUULE-UHFFFAOYSA-N 1 2 271.307 2.407 20 10 CECDLO OCCCC[N@@H+](Cc1cc(F)cc(F)c1O)C1CC1 ZINC000894021401 629086089 /nfs/dbraw/zinc/08/60/89/629086089.db2.gz SDHPYPNPSAUULE-UHFFFAOYSA-N 1 2 271.307 2.407 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000894737718 629612926 /nfs/dbraw/zinc/61/29/26/629612926.db2.gz FJPAHVCFLVVVPE-OAHLLOKOSA-N 1 2 299.317 2.052 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000894737718 629612927 /nfs/dbraw/zinc/61/29/27/629612927.db2.gz FJPAHVCFLVVVPE-OAHLLOKOSA-N 1 2 299.317 2.052 20 10 CECDLO C[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(N(C)C)cc1 ZINC000799166955 630989943 /nfs/dbraw/zinc/98/99/43/630989943.db2.gz REWDVLJKWMRCKW-LLVKDONJSA-N 1 2 289.383 2.052 20 10 CECDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1[O-] ZINC000841033767 631832918 /nfs/dbraw/zinc/83/29/18/631832918.db2.gz ZGQVUHPQLATVQP-NSHDSACASA-N 1 2 299.758 2.186 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897843753 631941458 /nfs/dbraw/zinc/94/14/58/631941458.db2.gz HWVFZMOULUYNFE-ATVVMRJVSA-N 1 2 271.719 2.188 20 10 CECDLO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000898214569 632092107 /nfs/dbraw/zinc/09/21/07/632092107.db2.gz DTWPSHDNRBDMGH-FBIMIBRVSA-N 1 2 283.755 2.333 20 10 CECDLO COCC[N@H+](CCN(C)C)Cc1cc(Cl)ccc1O ZINC000809740850 632136773 /nfs/dbraw/zinc/13/67/73/632136773.db2.gz KJRFFLSHNVATBF-UHFFFAOYSA-N 1 2 286.803 2.056 20 10 CECDLO COCC[N@@H+](CCN(C)C)Cc1cc(Cl)ccc1O ZINC000809740850 632136775 /nfs/dbraw/zinc/13/67/75/632136775.db2.gz KJRFFLSHNVATBF-UHFFFAOYSA-N 1 2 286.803 2.056 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1(CO)CC1 ZINC000826991265 636177270 /nfs/dbraw/zinc/17/72/70/636177270.db2.gz XTPVRRDNZFZNKF-MRVPVSSYSA-N 1 2 273.735 2.435 20 10 CECDLO COc1c(C)c[nH+]c(CNC(=O)Cc2ccc(N)cc2)c1C ZINC000827976966 636477239 /nfs/dbraw/zinc/47/72/39/636477239.db2.gz XMMOMAMPMOVGIK-UHFFFAOYSA-N 1 2 299.374 2.148 20 10 CECDLO C[C@@H](NC(=O)CNc1cccc[nH+]1)c1ccc(N(C)C)cc1 ZINC000907493793 637034668 /nfs/dbraw/zinc/03/46/68/637034668.db2.gz SVCAEHWHJSIWRT-CYBMUJFWSA-N 1 2 298.390 2.437 20 10 CECDLO CCNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000835075840 638049894 /nfs/dbraw/zinc/04/98/94/638049894.db2.gz DFCQLEGVIHORCA-UHFFFAOYSA-N 1 2 288.750 2.189 20 10 CECDLO CN(C)c1ccc(NCc2cc3c(cc2O)OCO3)[nH+]c1 ZINC000150914223 639004141 /nfs/dbraw/zinc/00/41/41/639004141.db2.gz CRQPZQBSVUDJMN-UHFFFAOYSA-N 1 2 287.319 2.194 20 10 CECDLO Cc1cc(O)c(C[N@@H+](C)CC(=O)NC(C)C)c(Cl)c1 ZINC000840909244 639583449 /nfs/dbraw/zinc/58/34/49/639583449.db2.gz DUKXYDUYODEHPI-UHFFFAOYSA-N 1 2 284.787 2.310 20 10 CECDLO Cc1cc(O)c(C[N@H+](C)CC(=O)NC(C)C)c(Cl)c1 ZINC000840909244 639583450 /nfs/dbraw/zinc/58/34/50/639583450.db2.gz DUKXYDUYODEHPI-UHFFFAOYSA-N 1 2 284.787 2.310 20 10 CECDLO CC1(C)OC[C@H](C[NH2+]Cc2cccc(Cl)c2O)O1 ZINC000230210391 639746333 /nfs/dbraw/zinc/74/63/33/639746333.db2.gz SUBSGNBDZZSWJR-JTQLQIEISA-N 1 2 271.744 2.287 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127094 640293081 /nfs/dbraw/zinc/29/30/81/640293081.db2.gz OKBQKYXXIDNHAB-TVQRCGJNSA-N 1 2 284.762 2.369 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127094 640293083 /nfs/dbraw/zinc/29/30/83/640293083.db2.gz OKBQKYXXIDNHAB-TVQRCGJNSA-N 1 2 284.762 2.369 20 10 CECDLO CC[N@@H+](Cc1ccc(F)c(F)c1O)C[C@@H](O)C(F)(F)F ZINC000877427944 650716627 /nfs/dbraw/zinc/71/66/27/650716627.db2.gz DPOIPMXAQOGEQB-SECBINFHSA-N 1 2 299.239 2.416 20 10 CECDLO CC[N@H+](Cc1ccc(F)c(F)c1O)C[C@@H](O)C(F)(F)F ZINC000877427944 650716628 /nfs/dbraw/zinc/71/66/28/650716628.db2.gz DPOIPMXAQOGEQB-SECBINFHSA-N 1 2 299.239 2.416 20 10 CECDLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877595627 650806974 /nfs/dbraw/zinc/80/69/74/650806974.db2.gz GQVLXUBQAHIAQP-PSASIEDQSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877595627 650806977 /nfs/dbraw/zinc/80/69/77/650806977.db2.gz GQVLXUBQAHIAQP-PSASIEDQSA-N 1 2 257.280 2.016 20 10 CECDLO CCOC(=O)c1cccc(C[N@@H+]2Cc3cccc(O)c3C2)n1 ZINC000877703165 650859328 /nfs/dbraw/zinc/85/93/28/650859328.db2.gz UKKKOBSTTJRFGU-UHFFFAOYSA-N 1 2 298.342 2.480 20 10 CECDLO CCOC(=O)c1cccc(C[N@H+]2Cc3cccc(O)c3C2)n1 ZINC000877703165 650859332 /nfs/dbraw/zinc/85/93/32/650859332.db2.gz UKKKOBSTTJRFGU-UHFFFAOYSA-N 1 2 298.342 2.480 20 10 CECDLO CC(C)C1(O)C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000839132782 644169447 /nfs/dbraw/zinc/16/94/47/644169447.db2.gz LPCGWPIVVYMYLE-UHFFFAOYSA-N 1 2 255.745 2.248 20 10 CECDLO CCn1cnnc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756420369 644648069 /nfs/dbraw/zinc/64/80/69/644648069.db2.gz JIQPVSGRXIOTMY-QMMMGPOBSA-N 1 2 282.294 2.133 20 10 CECDLO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756554961 644664562 /nfs/dbraw/zinc/66/45/62/644664562.db2.gz QPNKKMQQHMAKLE-SDBXPKJASA-N 1 2 259.296 2.482 20 10 CECDLO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756585599 644672766 /nfs/dbraw/zinc/67/27/66/644672766.db2.gz KZTRVYOBLXVCBB-OTYXRUKQSA-N 1 2 289.322 2.109 20 10 CECDLO CN(C)c1cc(F)c(C[NH2+]Cc2ccn(C)n2)cc1F ZINC000858154345 645076945 /nfs/dbraw/zinc/07/69/45/645076945.db2.gz FBEYELAWNHFKCM-UHFFFAOYSA-N 1 2 280.322 2.054 20 10 CECDLO CN(C)c1cc(F)c(C[N@@H+]2CCCOCC2)cc1F ZINC000862227400 646370881 /nfs/dbraw/zinc/37/08/81/646370881.db2.gz BIIFHDOCLLEKCU-UHFFFAOYSA-N 1 2 270.323 2.253 20 10 CECDLO CN(C)c1cc(F)c(C[N@H+]2CCCOCC2)cc1F ZINC000862227400 646370886 /nfs/dbraw/zinc/37/08/86/646370886.db2.gz BIIFHDOCLLEKCU-UHFFFAOYSA-N 1 2 270.323 2.253 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000770304370 646378612 /nfs/dbraw/zinc/37/86/12/646378612.db2.gz MLNIWOYNVCCFIS-HUUCEWRRSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000770304370 646378615 /nfs/dbraw/zinc/37/86/15/646378615.db2.gz MLNIWOYNVCCFIS-HUUCEWRRSA-N 1 2 297.782 2.425 20 10 CECDLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000789594206 648321292 /nfs/dbraw/zinc/32/12/92/648321292.db2.gz ZLCOLGUXZGVLBI-QMMMGPOBSA-N 1 2 288.750 2.141 20 10 CECDLO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cccc(Cl)c1O ZINC000789763885 648338295 /nfs/dbraw/zinc/33/82/95/648338295.db2.gz ACKJPEKFLVRQFV-LBPRGKRZSA-N 1 2 298.814 2.198 20 10 CECDLO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000789763885 648338299 /nfs/dbraw/zinc/33/82/99/648338299.db2.gz ACKJPEKFLVRQFV-LBPRGKRZSA-N 1 2 298.814 2.198 20 10 CECDLO Cc1noc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)n1 ZINC000792177100 648619785 /nfs/dbraw/zinc/61/97/85/648619785.db2.gz RXFXBRREXPVTKZ-SSDOTTSWSA-N 1 2 251.261 2.074 20 10 CECDLO C[C@@H]1CCCN1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883022611 652329388 /nfs/dbraw/zinc/32/93/88/652329388.db2.gz ZQGOYPWGCYFSLW-SNVBAGLBSA-N 1 2 270.323 2.244 20 10 CECDLO CC(C)(C)N1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CC1=O ZINC000883027327 652332116 /nfs/dbraw/zinc/33/21/16/652332116.db2.gz YBCRFFFUFVHTGD-LLVKDONJSA-N 1 2 298.333 2.159 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCn2ccnc21 ZINC000883131673 652372832 /nfs/dbraw/zinc/37/28/32/652372832.db2.gz MPPBRWTWXYPKJI-NSHDSACASA-N 1 2 265.263 2.102 20 10 CECDLO COC[C@@H](CC[NH2+]Cc1cccc(Cl)c1O)OC ZINC000694289326 803526937 /nfs/dbraw/zinc/52/69/37/803526937.db2.gz SDYFKMSPGKXFPU-LLVKDONJSA-N 1 2 273.760 2.187 20 10 CECDLO COC[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743467 814990815 /nfs/dbraw/zinc/99/08/15/814990815.db2.gz BVXTUQUKZJYMEE-SSDOTTSWSA-N 1 2 292.148 2.418 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000700589866 809326285 /nfs/dbraw/zinc/32/62/85/809326285.db2.gz DEQBIDJUMDEJNL-LBPRGKRZSA-N 1 2 257.280 2.092 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000700589866 809326291 /nfs/dbraw/zinc/32/62/91/809326291.db2.gz DEQBIDJUMDEJNL-LBPRGKRZSA-N 1 2 257.280 2.092 20 10 CECDLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)C(=O)NC(C)(C)C ZINC000700764957 809352201 /nfs/dbraw/zinc/35/22/01/809352201.db2.gz NNTJXQLQILJXKK-QMMMGPOBSA-N 1 2 286.322 2.063 20 10 CECDLO C[NH+](C)[C@@H]1CCCN(Cc2ccc(F)c(F)c2O)C1 ZINC000703519344 809653619 /nfs/dbraw/zinc/65/36/19/809653619.db2.gz VKFQDOFQZRHYBN-LLVKDONJSA-N 1 2 270.323 2.196 20 10 CECDLO COC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703597060 809667881 /nfs/dbraw/zinc/66/78/81/809667881.db2.gz WXZOHLKWTWLJEU-SECBINFHSA-N 1 2 257.280 2.139 20 10 CECDLO COC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703597060 809667884 /nfs/dbraw/zinc/66/78/84/809667884.db2.gz WXZOHLKWTWLJEU-SECBINFHSA-N 1 2 257.280 2.139 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001137839625 809855344 /nfs/dbraw/zinc/85/53/44/809855344.db2.gz FXRUWZUQJHKGQU-INIZCTEOSA-N 1 2 288.322 2.500 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001137839625 809855348 /nfs/dbraw/zinc/85/53/48/809855348.db2.gz FXRUWZUQJHKGQU-INIZCTEOSA-N 1 2 288.322 2.500 20 10 CECDLO OC[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000707546218 809911904 /nfs/dbraw/zinc/91/19/04/809911904.db2.gz NLJQCDWAGCHOMT-WAAGHKOSSA-N 1 2 286.169 2.015 20 10 CECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCOC1 ZINC000708423325 809930037 /nfs/dbraw/zinc/93/00/37/809930037.db2.gz RYIORTGUDJSZLG-VIFPVBQESA-N 1 2 257.280 2.139 20 10 CECDLO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCOC1 ZINC000708423325 809930041 /nfs/dbraw/zinc/93/00/41/809930041.db2.gz RYIORTGUDJSZLG-VIFPVBQESA-N 1 2 257.280 2.139 20 10 CECDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1csnn1 ZINC000708466948 809931993 /nfs/dbraw/zinc/93/19/93/809931993.db2.gz VVECKSHURNUGEI-LURJTMIESA-N 1 2 271.292 2.373 20 10 CECDLO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)N(C)C1CC1 ZINC000708504844 809943699 /nfs/dbraw/zinc/94/36/99/809943699.db2.gz VICMINQSHWEHMD-SECBINFHSA-N 1 2 270.323 2.243 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1noc2c1COCC2 ZINC000923017636 810055230 /nfs/dbraw/zinc/05/52/30/810055230.db2.gz IEQZOLVJNLDSIT-UHFFFAOYSA-N 1 2 296.273 2.021 20 10 CECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]([NH3+])C(F)F ZINC001121946104 815369933 /nfs/dbraw/zinc/36/99/33/815369933.db2.gz MMCFNRRNHOBYIO-CYBMUJFWSA-N 1 2 299.365 2.084 20 10 CECDLO CCN1CC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000712606700 814756478 /nfs/dbraw/zinc/75/64/78/814756478.db2.gz NTHQHPNNLDXQLH-LLVKDONJSA-N 1 2 299.212 2.339 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCc2ncccc2C1 ZINC001138127951 815732996 /nfs/dbraw/zinc/73/29/96/815732996.db2.gz YUHMSKBNFXYIQY-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCc2ncccc2C1 ZINC001138127951 815733001 /nfs/dbraw/zinc/73/30/01/815733001.db2.gz YUHMSKBNFXYIQY-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO C[C@H]1CC[N@H+](Cc2cccc(F)c2O)CCC1=O ZINC001138124086 815733523 /nfs/dbraw/zinc/73/35/23/815733523.db2.gz YUSLDZRRQRSISY-JTQLQIEISA-N 1 2 251.301 2.332 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2cccc(F)c2O)CCC1=O ZINC001138124086 815733526 /nfs/dbraw/zinc/73/35/26/815733526.db2.gz YUSLDZRRQRSISY-JTQLQIEISA-N 1 2 251.301 2.332 20 10 CECDLO CN1CCCc2cc(C[N@@H+]3CCO[C@H]4C[C@H]43)ccc21 ZINC001138359106 815777225 /nfs/dbraw/zinc/77/72/25/815777225.db2.gz KVTDYQBZSGQTSJ-CVEARBPZSA-N 1 2 258.365 2.042 20 10 CECDLO CN1CCCc2cc(C[N@H+]3CCO[C@H]4C[C@H]43)ccc21 ZINC001138359106 815777229 /nfs/dbraw/zinc/77/72/29/815777229.db2.gz KVTDYQBZSGQTSJ-CVEARBPZSA-N 1 2 258.365 2.042 20 10 CECDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(F)ccc(F)c1O ZINC001139681584 816079555 /nfs/dbraw/zinc/07/95/55/816079555.db2.gz UFXNMCGLTHHFKQ-VHSXEESVSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1c(F)ccc(F)c1O ZINC001139681584 816079562 /nfs/dbraw/zinc/07/95/62/816079562.db2.gz UFXNMCGLTHHFKQ-VHSXEESVSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCN1C ZINC001140465047 816260023 /nfs/dbraw/zinc/26/00/23/816260023.db2.gz GCABHKORDGMOHR-SNVBAGLBSA-N 1 2 254.761 2.182 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)CCN1C ZINC001140465047 816260028 /nfs/dbraw/zinc/26/00/28/816260028.db2.gz GCABHKORDGMOHR-SNVBAGLBSA-N 1 2 254.761 2.182 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCc2ccccc21 ZINC000493793182 290922517 /nfs/dbraw/zinc/92/25/17/290922517.db2.gz RNALGYBFDCOABS-FPLPWBNLSA-N 1 2 253.305 2.402 20 10 CECDLO C[C@H]([NH2+]CC1(C)COC1)c1ccc(F)c(F)c1O ZINC000187717471 299279528 /nfs/dbraw/zinc/27/95/28/299279528.db2.gz SEYHBTGVCUZUFB-QMMMGPOBSA-N 1 2 257.280 2.358 20 10 CECDLO Cn1c(Cl)cnc1C[N@H+](C)Cc1ccccc1O ZINC000171936775 367642288 /nfs/dbraw/zinc/64/22/88/367642288.db2.gz JPYCIPPPCHMZGM-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO Cn1c(Cl)cnc1C[N@@H+](C)Cc1ccccc1O ZINC000171936775 367642297 /nfs/dbraw/zinc/64/22/97/367642297.db2.gz JPYCIPPPCHMZGM-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO COC(=O)[C@H](C)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000179774047 368350826 /nfs/dbraw/zinc/35/08/26/368350826.db2.gz LEHBJWQPPCENGG-SECBINFHSA-N 1 2 271.744 2.287 20 10 CECDLO COC(=O)[C@H](C)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000179774047 368350831 /nfs/dbraw/zinc/35/08/31/368350831.db2.gz LEHBJWQPPCENGG-SECBINFHSA-N 1 2 271.744 2.287 20 10 CECDLO C[C@@]1(O)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180377824 368377606 /nfs/dbraw/zinc/37/76/06/368377606.db2.gz BPLXGSMLMWUMDY-CYBMUJFWSA-N 1 2 255.745 2.392 20 10 CECDLO C[C@@]1(O)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180377824 368377608 /nfs/dbraw/zinc/37/76/08/368377608.db2.gz BPLXGSMLMWUMDY-CYBMUJFWSA-N 1 2 255.745 2.392 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246009596 370898855 /nfs/dbraw/zinc/89/88/55/370898855.db2.gz YDXCLLBCPRPKIB-KGLIPLIRSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246009596 370898859 /nfs/dbraw/zinc/89/88/59/370898859.db2.gz YDXCLLBCPRPKIB-KGLIPLIRSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187536095 369174000 /nfs/dbraw/zinc/17/40/00/369174000.db2.gz NZZZARFRNNPRFH-AWEZNQCLSA-N 1 2 283.755 2.037 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187536095 369174005 /nfs/dbraw/zinc/17/40/05/369174005.db2.gz NZZZARFRNNPRFH-AWEZNQCLSA-N 1 2 283.755 2.037 20 10 CECDLO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1O ZINC000187792196 369223970 /nfs/dbraw/zinc/22/39/70/369223970.db2.gz HWIKALZSQHLJEG-IUCAKERBSA-N 1 2 296.317 2.084 20 10 CECDLO COCCO[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000188822507 369413985 /nfs/dbraw/zinc/41/39/85/369413985.db2.gz BDFFASQGVBDFCF-LBPRGKRZSA-N 1 2 285.771 2.283 20 10 CECDLO COCCO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000188822507 369413988 /nfs/dbraw/zinc/41/39/88/369413988.db2.gz BDFFASQGVBDFCF-LBPRGKRZSA-N 1 2 285.771 2.283 20 10 CECDLO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(F)c(F)c1O ZINC000191200229 369689164 /nfs/dbraw/zinc/68/91/64/369689164.db2.gz QIHNNKNANPNAHA-MRVPVSSYSA-N 1 2 267.279 2.255 20 10 CECDLO C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(F)ccc1O ZINC000359956882 371494494 /nfs/dbraw/zinc/49/44/94/371494494.db2.gz FZFTVIOIWVGDDL-BXKDBHETSA-N 1 2 275.327 2.463 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3nccs3)CC2)cc1 ZINC000269655262 372520690 /nfs/dbraw/zinc/52/06/90/372520690.db2.gz NGWZSSZKHADADO-UHFFFAOYSA-N 1 2 289.404 2.474 20 10 CECDLO CN(C)c1ccc(C[N@H+](Cc2nccc(N)n2)C2CC2)cc1 ZINC000269667205 372526776 /nfs/dbraw/zinc/52/67/76/372526776.db2.gz QHBLUNCXJOWNDH-UHFFFAOYSA-N 1 2 297.406 2.289 20 10 CECDLO CN(C)c1ccc(C[N@@H+](Cc2nccc(N)n2)C2CC2)cc1 ZINC000269667205 372526786 /nfs/dbraw/zinc/52/67/86/372526786.db2.gz QHBLUNCXJOWNDH-UHFFFAOYSA-N 1 2 297.406 2.289 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC000271993501 373252855 /nfs/dbraw/zinc/25/28/55/373252855.db2.gz SEWYZFPIQKAXKG-SKDRFNHKSA-N 1 2 255.745 2.248 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC000271993501 373252863 /nfs/dbraw/zinc/25/28/63/373252863.db2.gz SEWYZFPIQKAXKG-SKDRFNHKSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1cn[nH]c1 ZINC000273531991 373762300 /nfs/dbraw/zinc/76/23/00/373762300.db2.gz WMIBIIURXLJGQY-BDAKNGLRSA-N 1 2 276.296 2.435 20 10 CECDLO COC(=O)COc1ccc([N@H+](C)CCCCF)cc1 ZINC000285528939 375840391 /nfs/dbraw/zinc/84/03/91/375840391.db2.gz GXXOAFGOAGYRBX-UHFFFAOYSA-N 1 2 269.316 2.424 20 10 CECDLO COC(=O)COc1ccc([N@@H+](C)CCCCF)cc1 ZINC000285528939 375840395 /nfs/dbraw/zinc/84/03/95/375840395.db2.gz GXXOAFGOAGYRBX-UHFFFAOYSA-N 1 2 269.316 2.424 20 10 CECDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ncn(C)n1 ZINC000294756070 378017289 /nfs/dbraw/zinc/01/72/89/378017289.db2.gz RUJJOOZMJVXJHC-ZETCQYMHSA-N 1 2 284.722 2.164 20 10 CECDLO CCOCCOC1C[NH+](Cc2cc(OCC)ccc2O)C1 ZINC000297820658 378690105 /nfs/dbraw/zinc/69/01/05/378690105.db2.gz YVVRKHQBOHIFFQ-UHFFFAOYSA-N 1 2 295.379 2.028 20 10 CECDLO Cc1cc(N(C)Cc2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000301272623 379242581 /nfs/dbraw/zinc/24/25/81/379242581.db2.gz VTPNYXMJTUBQFZ-UHFFFAOYSA-N 1 2 298.390 2.258 20 10 CECDLO COc1ccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)cc1F ZINC000493118155 380805469 /nfs/dbraw/zinc/80/54/69/380805469.db2.gz FGRGZHADEZIGQY-UTCJRWHESA-N 1 2 275.283 2.234 20 10 CECDLO CC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000109779847 394734944 /nfs/dbraw/zinc/73/49/44/394734944.db2.gz KIQLWBHHAYDZKA-UHFFFAOYSA-N 1 2 257.717 2.041 20 10 CECDLO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000132477921 394931836 /nfs/dbraw/zinc/93/18/36/394931836.db2.gz RILUYMCRAZKUSL-VIFPVBQESA-N 1 2 286.169 2.375 20 10 CECDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC000373752176 395065055 /nfs/dbraw/zinc/06/50/55/395065055.db2.gz VQYBIOAJZRSSJX-ZIAGYGMSSA-N 1 2 293.338 2.101 20 10 CECDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000373752176 395065058 /nfs/dbraw/zinc/06/50/58/395065058.db2.gz VQYBIOAJZRSSJX-ZIAGYGMSSA-N 1 2 293.338 2.101 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1O ZINC000372297722 395038768 /nfs/dbraw/zinc/03/87/68/395038768.db2.gz VYRATXHZBRXDKL-ZDUSSCGKSA-N 1 2 295.766 2.205 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)C3(CC3)C2)c1O ZINC000372297722 395038771 /nfs/dbraw/zinc/03/87/71/395038771.db2.gz VYRATXHZBRXDKL-ZDUSSCGKSA-N 1 2 295.766 2.205 20 10 CECDLO CC(C)N1CC[N@H+](Cc2c(O)cccc2Cl)CC1=O ZINC000272540611 263006230 /nfs/dbraw/zinc/00/62/30/263006230.db2.gz PBFPEHYKFLQCKT-UHFFFAOYSA-N 1 2 282.771 2.098 20 10 CECDLO CC(C)N1CC[N@@H+](Cc2c(O)cccc2Cl)CC1=O ZINC000272540611 263006231 /nfs/dbraw/zinc/00/62/31/263006231.db2.gz PBFPEHYKFLQCKT-UHFFFAOYSA-N 1 2 282.771 2.098 20 10 CECDLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(F)c(F)c1O ZINC000277001777 263039130 /nfs/dbraw/zinc/03/91/30/263039130.db2.gz ZHYXHIVFHXKJBE-MRVPVSSYSA-N 1 2 294.305 2.059 20 10 CECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nccs2)c1 ZINC000273379332 277160972 /nfs/dbraw/zinc/16/09/72/277160972.db2.gz HWBKCCHPXSWKFM-VIFPVBQESA-N 1 2 292.360 2.486 20 10 CECDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2cccc(C)c2O)n1 ZINC000271864942 328198608 /nfs/dbraw/zinc/19/86/08/328198608.db2.gz RABNMNWTRYTMPG-NSHDSACASA-N 1 2 291.351 2.423 20 10 CECDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cccc(C)c2O)n1 ZINC000271864942 328198609 /nfs/dbraw/zinc/19/86/09/328198609.db2.gz RABNMNWTRYTMPG-NSHDSACASA-N 1 2 291.351 2.423 20 10 CECDLO Cc1ccc(O)c(C[N@H+](C)Cc2ncnn2CC(F)F)c1 ZINC000278846262 328230934 /nfs/dbraw/zinc/23/09/34/328230934.db2.gz CZQNYMKASFUXII-UHFFFAOYSA-N 1 2 296.321 2.189 20 10 CECDLO Cc1ccc(O)c(C[N@@H+](C)Cc2ncnn2CC(F)F)c1 ZINC000278846262 328230935 /nfs/dbraw/zinc/23/09/35/328230935.db2.gz CZQNYMKASFUXII-UHFFFAOYSA-N 1 2 296.321 2.189 20 10 CECDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1nnc2n1CCC2 ZINC000165016936 331305679 /nfs/dbraw/zinc/30/56/79/331305679.db2.gz OEUZULHJYBTMDV-SECBINFHSA-N 1 2 292.770 2.434 20 10 CECDLO Oc1c(F)cccc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000166374559 331306927 /nfs/dbraw/zinc/30/69/27/331306927.db2.gz WKMQMBWXMWOZSK-UHFFFAOYSA-N 1 2 292.276 2.211 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cnn(C)c2)c1O ZINC000050152990 518284181 /nfs/dbraw/zinc/28/41/81/518284181.db2.gz JPBPUZRAFGSSAC-UHFFFAOYSA-N 1 2 291.326 2.099 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cnn(C)c2)c1O ZINC000050152990 518284188 /nfs/dbraw/zinc/28/41/88/518284188.db2.gz JPBPUZRAFGSSAC-UHFFFAOYSA-N 1 2 291.326 2.099 20 10 CECDLO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756586861 574822161 /nfs/dbraw/zinc/82/21/61/574822161.db2.gz VPHHSCAFYPDUOQ-UFBFGSQYSA-N 1 2 259.296 2.338 20 10 CECDLO CCN(CC)c1ccc(C[N@H+](C)Cc2ncnn2C)cc1 ZINC000750036637 575244736 /nfs/dbraw/zinc/24/47/36/575244736.db2.gz MBIZXQBPAXINQX-UHFFFAOYSA-N 1 2 287.411 2.293 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2ncnn2C)cc1 ZINC000750036637 575244738 /nfs/dbraw/zinc/24/47/38/575244738.db2.gz MBIZXQBPAXINQX-UHFFFAOYSA-N 1 2 287.411 2.293 20 10 CECDLO CN(C)CC(C)(C)[NH2+]Cc1cccc(Cl)c1O ZINC000308608471 627887316 /nfs/dbraw/zinc/88/73/16/627887316.db2.gz NFOHXPDSZUHXDB-UHFFFAOYSA-N 1 2 256.777 2.475 20 10 CECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCC[C@H]1O ZINC000894090003 629119604 /nfs/dbraw/zinc/11/96/04/629119604.db2.gz YUWOIXQRYGQAGZ-TVQRCGJNSA-N 1 2 271.307 2.263 20 10 CECDLO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCC[C@H]1O ZINC000894090003 629119608 /nfs/dbraw/zinc/11/96/08/629119608.db2.gz YUWOIXQRYGQAGZ-TVQRCGJNSA-N 1 2 271.307 2.263 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000894089918 629119623 /nfs/dbraw/zinc/11/96/23/629119623.db2.gz XWSSLZNSLUBWHD-UHFFFAOYSA-N 1 2 299.317 2.052 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000894089918 629119626 /nfs/dbraw/zinc/11/96/26/629119626.db2.gz XWSSLZNSLUBWHD-UHFFFAOYSA-N 1 2 299.317 2.052 20 10 CECDLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)[C@@H](O)C(F)(F)F ZINC000877693554 629209772 /nfs/dbraw/zinc/20/97/72/629209772.db2.gz KAFNWSKXQCVJTO-XUOSJQGZSA-N 1 2 285.212 2.072 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000894438000 629462620 /nfs/dbraw/zinc/46/26/20/629462620.db2.gz UIBBWIITYTWWQC-UHFFFAOYSA-N 1 2 269.291 2.283 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CCOCC2(CC2)C1 ZINC000894438000 629462624 /nfs/dbraw/zinc/46/26/24/629462624.db2.gz UIBBWIITYTWWQC-UHFFFAOYSA-N 1 2 269.291 2.283 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000894629665 629565483 /nfs/dbraw/zinc/56/54/83/629565483.db2.gz MCJNWNWTFJDRBZ-BMIGLBTASA-N 1 2 299.317 2.050 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000894629665 629565487 /nfs/dbraw/zinc/56/54/87/629565487.db2.gz MCJNWNWTFJDRBZ-BMIGLBTASA-N 1 2 299.317 2.050 20 10 CECDLO CON1CCC([N@H+](C)Cc2cc(F)cc(F)c2O)CC1 ZINC000894970415 629773357 /nfs/dbraw/zinc/77/33/57/629773357.db2.gz YSCSUHPYMORQQR-UHFFFAOYSA-N 1 2 286.322 2.128 20 10 CECDLO CON1CCC([N@@H+](C)Cc2cc(F)cc(F)c2O)CC1 ZINC000894970415 629773361 /nfs/dbraw/zinc/77/33/61/629773361.db2.gz YSCSUHPYMORQQR-UHFFFAOYSA-N 1 2 286.322 2.128 20 10 CECDLO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000895393445 630162138 /nfs/dbraw/zinc/16/21/38/630162138.db2.gz JZBGGEVLOZBXLI-GFCCVEGCSA-N 1 2 297.301 2.412 20 10 CECDLO Oc1cccc(F)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000896636491 630620842 /nfs/dbraw/zinc/62/08/42/630620842.db2.gz DIWKUYKHRASDIA-VXGBXAGGSA-N 1 2 264.344 2.248 20 10 CECDLO Oc1cccc(F)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000896636491 630620843 /nfs/dbraw/zinc/62/08/43/630620843.db2.gz DIWKUYKHRASDIA-VXGBXAGGSA-N 1 2 264.344 2.248 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCOC1CCOCC1 ZINC000897195415 630987452 /nfs/dbraw/zinc/98/74/52/630987452.db2.gz JNQSMCMRXDHGPZ-UHFFFAOYSA-N 1 2 285.771 2.331 20 10 CECDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cccc(Cl)c1O ZINC000809768727 632142843 /nfs/dbraw/zinc/14/28/43/632142843.db2.gz VIZICQVTKKPPPM-GFCCVEGCSA-N 1 2 287.787 2.263 20 10 CECDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000809768727 632142846 /nfs/dbraw/zinc/14/28/46/632142846.db2.gz VIZICQVTKKPPPM-GFCCVEGCSA-N 1 2 287.787 2.263 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3n[nH]cc3C)CC2)cc1 ZINC000811453689 632385923 /nfs/dbraw/zinc/38/59/23/632385923.db2.gz PXHBUTMLEFBQRD-UHFFFAOYSA-N 1 2 286.379 2.049 20 10 CECDLO CCCN1C[C@@H](C[NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000817410352 633649900 /nfs/dbraw/zinc/64/99/00/633649900.db2.gz ATTOCLVGCGDSAG-LLVKDONJSA-N 1 2 296.798 2.394 20 10 CECDLO C[N@H+](Cc1cn(C2CCC2)nn1)Cc1ccccc1O ZINC000824593986 635458803 /nfs/dbraw/zinc/45/88/03/635458803.db2.gz WUIJPLRADBUDCR-UHFFFAOYSA-N 1 2 272.352 2.341 20 10 CECDLO C[N@@H+](Cc1cn(C2CCC2)nn1)Cc1ccccc1O ZINC000824593986 635458808 /nfs/dbraw/zinc/45/88/08/635458808.db2.gz WUIJPLRADBUDCR-UHFFFAOYSA-N 1 2 272.352 2.341 20 10 CECDLO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc(Cl)c1O ZINC000825129687 635575048 /nfs/dbraw/zinc/57/50/48/635575048.db2.gz ATCAKFWQASLBTA-GWCFXTLKSA-N 1 2 285.771 2.017 20 10 CECDLO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1cccc(Cl)c1O ZINC000825129687 635575054 /nfs/dbraw/zinc/57/50/54/635575054.db2.gz ATCAKFWQASLBTA-GWCFXTLKSA-N 1 2 285.771 2.017 20 10 CECDLO CCOc1ccc(C[N@H+](C)Cc2nnc(C)o2)c(O)c1 ZINC000827039016 636194938 /nfs/dbraw/zinc/19/49/38/636194938.db2.gz DHVXLVSNWBGAHO-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO CCOc1ccc(C[N@@H+](C)Cc2nnc(C)o2)c(O)c1 ZINC000827039016 636194944 /nfs/dbraw/zinc/19/49/44/636194944.db2.gz DHVXLVSNWBGAHO-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000827812580 636430773 /nfs/dbraw/zinc/43/07/73/636430773.db2.gz QOXJQFTULMZBLY-GVJMRKKJSA-N 1 2 287.718 2.226 20 10 CECDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876562954 650331974 /nfs/dbraw/zinc/33/19/74/650331974.db2.gz WRMZZZWSFOXSCT-CYBMUJFWSA-N 1 2 295.404 2.181 20 10 CECDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1ccc(C)cc1O ZINC000876562954 650331975 /nfs/dbraw/zinc/33/19/75/650331975.db2.gz WRMZZZWSFOXSCT-CYBMUJFWSA-N 1 2 295.404 2.181 20 10 CECDLO Cc1ccc(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC000876756222 650422771 /nfs/dbraw/zinc/42/27/71/650422771.db2.gz RANSMCSIDHOAMJ-LBPRGKRZSA-N 1 2 275.270 2.464 20 10 CECDLO Cc1ccc(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c1 ZINC000876756222 650422772 /nfs/dbraw/zinc/42/27/72/650422772.db2.gz RANSMCSIDHOAMJ-LBPRGKRZSA-N 1 2 275.270 2.464 20 10 CECDLO [NH3+]C[C@H]([NH2+]Cc1cccc(F)c1[O-])C1CCCC1 ZINC000841085746 639651979 /nfs/dbraw/zinc/65/19/79/639651979.db2.gz CGJMLPZXOJZSCH-ZDUSSCGKSA-N 1 2 252.333 2.138 20 10 CECDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C)cc2O)no1 ZINC000877009352 650530012 /nfs/dbraw/zinc/53/00/12/650530012.db2.gz XOFMLOJZDFCEAZ-UHFFFAOYSA-N 1 2 261.325 2.417 20 10 CECDLO Oc1c(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)ccc(F)c1F ZINC000877093219 650568803 /nfs/dbraw/zinc/56/88/03/650568803.db2.gz GEJGBVFYUVLAIN-UKRRQHHQSA-N 1 2 291.297 2.418 20 10 CECDLO CCC[N@H+](Cc1cccc(F)c1O)[C@H]1CCN(C)C1 ZINC000843422410 640423246 /nfs/dbraw/zinc/42/32/46/640423246.db2.gz NLGULBHGDRGDCF-ZDUSSCGKSA-N 1 2 266.360 2.447 20 10 CECDLO CCC[N@@H+](Cc1cccc(F)c1O)[C@H]1CCN(C)C1 ZINC000843422410 640423250 /nfs/dbraw/zinc/42/32/50/640423250.db2.gz NLGULBHGDRGDCF-ZDUSSCGKSA-N 1 2 266.360 2.447 20 10 CECDLO OCC1(C[NH2+]Cc2cccc(Cl)c2O)CCC1 ZINC000183232224 641718683 /nfs/dbraw/zinc/71/86/83/641718683.db2.gz NPRDJPIJAAORLF-UHFFFAOYSA-N 1 2 255.745 2.298 20 10 CECDLO CC1(C)C[NH+](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000848243442 641933773 /nfs/dbraw/zinc/93/37/73/641933773.db2.gz ZMMXUJMRVVTOTN-UHFFFAOYSA-N 1 2 282.771 2.004 20 10 CECDLO CCc1cccc(C[N@@H+]2CCc3cn[nH]c3C2)c1O ZINC000848888100 642173266 /nfs/dbraw/zinc/17/32/66/642173266.db2.gz LYERTTRNNVCXOH-UHFFFAOYSA-N 1 2 257.337 2.236 20 10 CECDLO CCc1cccc(C[N@H+]2CCc3cn[nH]c3C2)c1O ZINC000848888100 642173272 /nfs/dbraw/zinc/17/32/72/642173272.db2.gz LYERTTRNNVCXOH-UHFFFAOYSA-N 1 2 257.337 2.236 20 10 CECDLO COC(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)[C@@H]1C ZINC000877465849 650731608 /nfs/dbraw/zinc/73/16/08/650731608.db2.gz BWDSSCRGXJQJRZ-SCZZXKLOSA-N 1 2 285.290 2.054 20 10 CECDLO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)[C@@H]1C ZINC000877465849 650731609 /nfs/dbraw/zinc/73/16/09/650731609.db2.gz BWDSSCRGXJQJRZ-SCZZXKLOSA-N 1 2 285.290 2.054 20 10 CECDLO CC[C@@H]([NH2+]Cc1nc(COC)n[nH]1)c1ccc(C)cc1O ZINC000850514371 642736974 /nfs/dbraw/zinc/73/69/74/642736974.db2.gz MNHFKAAXEXJSTN-GFCCVEGCSA-N 1 2 290.367 2.206 20 10 CECDLO COc1cc(C[NH2+]Cc2cccc(Cl)c2O)on1 ZINC000877635469 650826410 /nfs/dbraw/zinc/82/64/10/650826410.db2.gz SMRVKQGBINVPMV-UHFFFAOYSA-N 1 2 268.700 2.332 20 10 CECDLO Cc1nnc(C[N@@H+](C)Cc2ccc(C)cc2O)s1 ZINC000877640906 650830463 /nfs/dbraw/zinc/83/04/63/650830463.db2.gz HUZUAHFXUZEWFU-UHFFFAOYSA-N 1 2 263.366 2.493 20 10 CECDLO Cc1nnc(C[N@H+](C)Cc2ccc(C)cc2O)s1 ZINC000877640906 650830467 /nfs/dbraw/zinc/83/04/67/650830467.db2.gz HUZUAHFXUZEWFU-UHFFFAOYSA-N 1 2 263.366 2.493 20 10 CECDLO Oc1c(Br)cccc1C[NH2+]Cc1ccon1 ZINC000086452674 643337293 /nfs/dbraw/zinc/33/72/93/643337293.db2.gz KWEIDQKBAFXSSJ-UHFFFAOYSA-N 1 2 283.125 2.433 20 10 CECDLO COC(=O)c1[nH]c(C[N@@H+]2Cc3cccc(O)c3C2)cc1C ZINC000877703118 650859299 /nfs/dbraw/zinc/85/92/99/650859299.db2.gz SAKXGJXODSOGML-UHFFFAOYSA-N 1 2 286.331 2.331 20 10 CECDLO COC(=O)c1[nH]c(C[N@H+]2Cc3cccc(O)c3C2)cc1C ZINC000877703118 650859302 /nfs/dbraw/zinc/85/93/02/650859302.db2.gz SAKXGJXODSOGML-UHFFFAOYSA-N 1 2 286.331 2.331 20 10 CECDLO COC(=O)C1CC([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000877722323 650871142 /nfs/dbraw/zinc/87/11/42/650871142.db2.gz PXOGJVWAKHEKLP-UHFFFAOYSA-N 1 2 287.718 2.226 20 10 CECDLO COc1ccc(N2CC[C@H](Nc3cc[nH+]c(C)n3)C2)cc1 ZINC000853758184 643892738 /nfs/dbraw/zinc/89/27/38/643892738.db2.gz BDVSYBRMRNKFEU-ZDUSSCGKSA-N 1 2 284.363 2.484 20 10 CECDLO COc1cc(Cl)cc(C[NH+]2CC(O)(C(C)C)C2)c1O ZINC000839132766 644169456 /nfs/dbraw/zinc/16/94/56/644169456.db2.gz FMQBWJDZFIZSRK-UHFFFAOYSA-N 1 2 285.771 2.257 20 10 CECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cscn2)c1 ZINC000756508347 644657102 /nfs/dbraw/zinc/65/71/02/644657102.db2.gz IUFUNXRRJZTCRO-SECBINFHSA-N 1 2 292.360 2.486 20 10 CECDLO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1nncn1C ZINC000756531716 644659715 /nfs/dbraw/zinc/65/97/15/644659715.db2.gz BKZSRBIOODAJTN-HTQZYQBOSA-N 1 2 282.294 2.211 20 10 CECDLO CCC[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756576132 644670619 /nfs/dbraw/zinc/67/06/19/644670619.db2.gz JYDQYJQVOWMQDW-SCZZXKLOSA-N 1 2 259.296 2.482 20 10 CECDLO CN(C)c1ccc(C[N@H+](Cc2cn(C)nn2)C2CC2)cc1 ZINC000761655360 645306378 /nfs/dbraw/zinc/30/63/78/645306378.db2.gz BRKZGGITOAVPEH-UHFFFAOYSA-N 1 2 285.395 2.046 20 10 CECDLO CN(C)c1ccc(C[N@@H+](Cc2cn(C)nn2)C2CC2)cc1 ZINC000761655360 645306381 /nfs/dbraw/zinc/30/63/81/645306381.db2.gz BRKZGGITOAVPEH-UHFFFAOYSA-N 1 2 285.395 2.046 20 10 CECDLO CCOC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000862502178 646482196 /nfs/dbraw/zinc/48/21/96/646482196.db2.gz CQIURWSZJSLOMX-CQSZACIVSA-N 1 2 296.386 2.129 20 10 CECDLO CCOC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000862502178 646482198 /nfs/dbraw/zinc/48/21/98/646482198.db2.gz CQIURWSZJSLOMX-CQSZACIVSA-N 1 2 296.386 2.129 20 10 CECDLO COCC[C@@]1([NH2+]Cc2cccc(Cl)c2O)CCOC1 ZINC000775204594 646930332 /nfs/dbraw/zinc/93/03/32/646930332.db2.gz PUZDBXJGORGOCM-CQSZACIVSA-N 1 2 285.771 2.331 20 10 CECDLO NC(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000775798082 646994645 /nfs/dbraw/zinc/99/46/45/646994645.db2.gz HBXZIZCFPLRBNT-UHFFFAOYSA-N 1 2 290.750 2.434 20 10 CECDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000864422622 646997706 /nfs/dbraw/zinc/99/77/06/646997706.db2.gz AIAFELICPOQROZ-RYUDHWBXSA-N 1 2 288.351 2.038 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266809 649335241 /nfs/dbraw/zinc/33/52/41/649335241.db2.gz LYDCMWONHAHOMZ-AOOOYVTPSA-N 1 2 271.719 2.263 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266809 649335243 /nfs/dbraw/zinc/33/52/43/649335243.db2.gz LYDCMWONHAHOMZ-AOOOYVTPSA-N 1 2 271.719 2.263 20 10 CECDLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000128179393 651381926 /nfs/dbraw/zinc/38/19/26/651381926.db2.gz LAPNKKFRBOQTLP-QWRGUYRKSA-N 1 2 255.745 2.295 20 10 CECDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nnc2n1CCC2 ZINC000882886532 652250066 /nfs/dbraw/zinc/25/00/66/652250066.db2.gz YTSWFEYOKCHQNW-QMMMGPOBSA-N 1 2 294.305 2.059 20 10 CECDLO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C(F)F ZINC000883406824 652459381 /nfs/dbraw/zinc/45/93/81/652459381.db2.gz BOQGLDGHORPLEA-NSHDSACASA-N 1 2 284.350 2.391 20 10 CECDLO C[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)[C@H]1CO ZINC001140582631 803178373 /nfs/dbraw/zinc/17/83/73/803178373.db2.gz KYJZTGISGSSQKK-RNCFNFMXSA-N 1 2 271.307 2.263 20 10 CECDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001237807950 808257384 /nfs/dbraw/zinc/25/73/84/808257384.db2.gz OUSWYTVMSLZFFK-GHMZBOCLSA-N 1 2 277.698 2.089 20 10 CECDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001237807950 808257390 /nfs/dbraw/zinc/25/73/90/808257390.db2.gz OUSWYTVMSLZFFK-GHMZBOCLSA-N 1 2 277.698 2.089 20 10 CECDLO C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@H]1O ZINC001237807373 808257551 /nfs/dbraw/zinc/25/75/51/808257551.db2.gz IDTNNXQFMQPQFY-UFBFGSQYSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@@H]1O ZINC001237807373 808257557 /nfs/dbraw/zinc/25/75/57/808257557.db2.gz IDTNNXQFMQPQFY-UFBFGSQYSA-N 1 2 273.735 2.387 20 10 CECDLO Oc1c(CN2CC[N@@H+]3CCCC[C@@H]3C2)ccc(F)c1F ZINC000703449147 809650987 /nfs/dbraw/zinc/65/09/87/809650987.db2.gz ZIBICCFHFICVAF-GFCCVEGCSA-N 1 2 282.334 2.341 20 10 CECDLO Oc1c(CN2CC[N@H+]3CCCC[C@@H]3C2)ccc(F)c1F ZINC000703449147 809650991 /nfs/dbraw/zinc/65/09/91/809650991.db2.gz ZIBICCFHFICVAF-GFCCVEGCSA-N 1 2 282.334 2.341 20 10 CECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@H]1CCOC1 ZINC000708423322 809929579 /nfs/dbraw/zinc/92/95/79/809929579.db2.gz RYIORTGUDJSZLG-SECBINFHSA-N 1 2 257.280 2.139 20 10 CECDLO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@H]1CCOC1 ZINC000708423322 809929582 /nfs/dbraw/zinc/92/95/82/809929582.db2.gz RYIORTGUDJSZLG-SECBINFHSA-N 1 2 257.280 2.139 20 10 CECDLO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)N(C)C1CC1 ZINC000708504847 809944574 /nfs/dbraw/zinc/94/45/74/809944574.db2.gz VICMINQSHWEHMD-VIFPVBQESA-N 1 2 270.323 2.243 20 10 CECDLO Oc1cccc(Nc2ccc(C[NH+]3CC(O)C3)cc2)c1O ZINC001212668986 815460622 /nfs/dbraw/zinc/46/06/22/815460622.db2.gz AMWFHEGRCMKZOB-UHFFFAOYSA-N 1 2 286.331 2.018 20 10 CECDLO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(Cl)c1O ZINC001276380278 813108024 /nfs/dbraw/zinc/10/80/24/813108024.db2.gz MXIYXSUEAKAIKS-STQMWFEESA-N 1 2 266.772 2.324 20 10 CECDLO C[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cccc(Cl)c1O ZINC001276380278 813108028 /nfs/dbraw/zinc/10/80/28/813108028.db2.gz MXIYXSUEAKAIKS-STQMWFEESA-N 1 2 266.772 2.324 20 10 CECDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(O)cccc1F ZINC001137841537 815694765 /nfs/dbraw/zinc/69/47/65/815694765.db2.gz IUXMPULRWBFDGV-ISTVAULSSA-N 1 2 279.311 2.057 20 10 CECDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1c(O)cccc1F ZINC001137841537 815694766 /nfs/dbraw/zinc/69/47/66/815694766.db2.gz IUXMPULRWBFDGV-ISTVAULSSA-N 1 2 279.311 2.057 20 10 CECDLO CC[N@H+](Cc1c(O)cccc1Cl)C1CN(C)C1 ZINC001140341800 816238428 /nfs/dbraw/zinc/23/84/28/816238428.db2.gz HWHFKVBQNRUOBW-UHFFFAOYSA-N 1 2 254.761 2.182 20 10 CECDLO CC[N@@H+](Cc1c(O)cccc1Cl)C1CN(C)C1 ZINC001140341800 816238434 /nfs/dbraw/zinc/23/84/34/816238434.db2.gz HWHFKVBQNRUOBW-UHFFFAOYSA-N 1 2 254.761 2.182 20 10 CECDLO CCN(Cc1c(O)cccc1Cl)C1C[NH+](C)C1 ZINC001140341800 816238438 /nfs/dbraw/zinc/23/84/38/816238438.db2.gz HWHFKVBQNRUOBW-UHFFFAOYSA-N 1 2 254.761 2.182 20 10 CECDLO C[C@@]1(O)CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1F ZINC001140337773 816238678 /nfs/dbraw/zinc/23/86/78/816238678.db2.gz DNUFOWZBCSTUBQ-QWHCGFSZSA-N 1 2 273.735 2.340 20 10 CECDLO C[C@@]1(O)CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1F ZINC001140337773 816238681 /nfs/dbraw/zinc/23/86/81/816238681.db2.gz DNUFOWZBCSTUBQ-QWHCGFSZSA-N 1 2 273.735 2.340 20 10 CECDLO CO[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140461070 816258558 /nfs/dbraw/zinc/25/85/58/816258558.db2.gz DEVBWHNTBPMROQ-JQWIXIFHSA-N 1 2 259.708 2.214 20 10 CECDLO CO[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140461070 816258563 /nfs/dbraw/zinc/25/85/63/816258563.db2.gz DEVBWHNTBPMROQ-JQWIXIFHSA-N 1 2 259.708 2.214 20 10 CECDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140461128 816258949 /nfs/dbraw/zinc/25/89/49/816258949.db2.gz DTIPAEBAVJAAMT-LLVKDONJSA-N 1 2 269.728 2.183 20 10 CECDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140461128 816258954 /nfs/dbraw/zinc/25/89/54/816258954.db2.gz DTIPAEBAVJAAMT-LLVKDONJSA-N 1 2 269.728 2.183 20 10 CECDLO CN1CCC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461748 816260006 /nfs/dbraw/zinc/26/00/06/816260006.db2.gz SSENAYIPQQRKGC-UHFFFAOYSA-N 1 2 254.761 2.183 20 10 CECDLO CN1CCC[N@@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461748 816260008 /nfs/dbraw/zinc/26/00/08/816260008.db2.gz SSENAYIPQQRKGC-UHFFFAOYSA-N 1 2 254.761 2.183 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001140582765 816290939 /nfs/dbraw/zinc/29/09/39/816290939.db2.gz MHUHILXFIGTCEN-DGCLKSJQSA-N 1 2 255.264 2.034 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001140582765 816290941 /nfs/dbraw/zinc/29/09/41/816290941.db2.gz MHUHILXFIGTCEN-DGCLKSJQSA-N 1 2 255.264 2.034 20 10 CECDLO C[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582790 816291034 /nfs/dbraw/zinc/29/10/34/816291034.db2.gz MXYQRPMOFGSVPE-ZANVPECISA-N 1 2 271.307 2.263 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582790 816291039 /nfs/dbraw/zinc/29/10/39/816291039.db2.gz MXYQRPMOFGSVPE-ZANVPECISA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C[C@]1(C)O ZINC001140583087 816291161 /nfs/dbraw/zinc/29/11/61/816291161.db2.gz VZBAJBXGVQRYKH-OTYXRUKQSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C[C@]1(C)O ZINC001140583087 816291167 /nfs/dbraw/zinc/29/11/67/816291167.db2.gz VZBAJBXGVQRYKH-OTYXRUKQSA-N 1 2 271.307 2.263 20 10 CECDLO COC[C@@H]1CCC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140583066 816291391 /nfs/dbraw/zinc/29/13/91/816291391.db2.gz VGOXXOYOMGUMBJ-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO COC[C@@H]1CCC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140583066 816291394 /nfs/dbraw/zinc/29/13/94/816291394.db2.gz VGOXXOYOMGUMBJ-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583553 816293158 /nfs/dbraw/zinc/29/31/58/816293158.db2.gz LGQZAPLJSWIGRX-HNNXBMFYSA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583553 816293165 /nfs/dbraw/zinc/29/31/65/816293165.db2.gz LGQZAPLJSWIGRX-HNNXBMFYSA-N 1 2 299.317 2.446 20 10 CECDLO Cc1cc2c(cn1)C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160792 816492014 /nfs/dbraw/zinc/49/20/14/816492014.db2.gz IVFXVQDAXUTPAF-UHFFFAOYSA-N 1 2 256.305 2.317 20 10 CECDLO Cc1cc2c(cn1)C[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141160792 816492018 /nfs/dbraw/zinc/49/20/18/816492018.db2.gz IVFXVQDAXUTPAF-UHFFFAOYSA-N 1 2 256.305 2.317 20 10 CECDLO Cc1cn[nH]c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000284034305 344677976 /nfs/dbraw/zinc/67/79/76/344677976.db2.gz LIXXMVALAGJTNJ-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO Cc1cn[nH]c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000284034305 344677977 /nfs/dbraw/zinc/67/79/77/344677977.db2.gz LIXXMVALAGJTNJ-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1O ZINC000187792154 369223391 /nfs/dbraw/zinc/22/33/91/369223391.db2.gz HWIKALZSQHLJEG-DTWKUNHWSA-N 1 2 296.317 2.084 20 10 CECDLO COc1cc(O)c(C[N@@H+]2CCC=C(F)C2)cc1OC ZINC000272761937 373647800 /nfs/dbraw/zinc/64/78/00/373647800.db2.gz LMXGQWLEPJRXRJ-UHFFFAOYSA-N 1 2 267.300 2.469 20 10 CECDLO COc1cc(O)c(C[N@H+]2CCC=C(F)C2)cc1OC ZINC000272761937 373647819 /nfs/dbraw/zinc/64/78/19/373647819.db2.gz LMXGQWLEPJRXRJ-UHFFFAOYSA-N 1 2 267.300 2.469 20 10 CECDLO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000275726734 374218825 /nfs/dbraw/zinc/21/88/25/374218825.db2.gz OLTQNXVOBFZMKX-QWRGUYRKSA-N 1 2 260.341 2.241 20 10 CECDLO C[N@H+](Cc1coc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000528415701 379964116 /nfs/dbraw/zinc/96/41/16/379964116.db2.gz GENCMWPFOJIUKE-UHFFFAOYSA-N 1 2 295.360 2.021 20 10 CECDLO C[N@@H+](Cc1coc(S(C)(=O)=O)c1)Cc1ccccc1O ZINC000528415701 379964128 /nfs/dbraw/zinc/96/41/28/379964128.db2.gz GENCMWPFOJIUKE-UHFFFAOYSA-N 1 2 295.360 2.021 20 10 CECDLO CCNC(=O)C[N@H+](CC)Cc1c(O)cccc1Cl ZINC000133619268 394954245 /nfs/dbraw/zinc/95/42/45/394954245.db2.gz JUIKWALCOARIEU-UHFFFAOYSA-N 1 2 270.760 2.004 20 10 CECDLO CCNC(=O)C[N@@H+](CC)Cc1c(O)cccc1Cl ZINC000133619268 394954248 /nfs/dbraw/zinc/95/42/48/394954248.db2.gz JUIKWALCOARIEU-UHFFFAOYSA-N 1 2 270.760 2.004 20 10 CECDLO CC(=O)N1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000183460972 395257809 /nfs/dbraw/zinc/25/78/09/395257809.db2.gz IZYDBWVRJVPUAE-UHFFFAOYSA-N 1 2 282.771 2.018 20 10 CECDLO CC1(C)CN(CC[NH2+]Cc2cccc(Cl)c2O)CCO1 ZINC000182197242 261928461 /nfs/dbraw/zinc/92/84/61/261928461.db2.gz ZGACVKFMGPAWOI-UHFFFAOYSA-N 1 2 298.814 2.246 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+](C(C)C)C2COC2)c1O ZINC000295449325 278244226 /nfs/dbraw/zinc/24/42/26/278244226.db2.gz PIWLCUYWDJMTJD-UHFFFAOYSA-N 1 2 281.327 2.343 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+](C(C)C)C2COC2)c1O ZINC000295449325 278244231 /nfs/dbraw/zinc/24/42/31/278244231.db2.gz PIWLCUYWDJMTJD-UHFFFAOYSA-N 1 2 281.327 2.343 20 10 CECDLO CC[C@H]([NH2+][C@@H](CO)COC)c1cccc(Cl)c1O ZINC000286942134 288063689 /nfs/dbraw/zinc/06/36/89/288063689.db2.gz GXZDHJFYZOHUCY-CABZTGNLSA-N 1 2 273.760 2.094 20 10 CECDLO Cc1cc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000293040906 301275024 /nfs/dbraw/zinc/27/50/24/301275024.db2.gz JRPQLCPZFWPHTH-MNVSYLFESA-N 1 2 294.464 2.402 20 10 CECDLO Cc1cc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000293040906 301275026 /nfs/dbraw/zinc/27/50/26/301275026.db2.gz JRPQLCPZFWPHTH-MNVSYLFESA-N 1 2 294.464 2.402 20 10 CECDLO COC(=O)C[N@H+](Cc1cccc(F)c1O)C1CCCC1 ZINC000272279138 328199347 /nfs/dbraw/zinc/19/93/47/328199347.db2.gz MORCTWFOPWHAFB-UHFFFAOYSA-N 1 2 281.327 2.449 20 10 CECDLO COC(=O)C[N@@H+](Cc1cccc(F)c1O)C1CCCC1 ZINC000272279138 328199348 /nfs/dbraw/zinc/19/93/48/328199348.db2.gz MORCTWFOPWHAFB-UHFFFAOYSA-N 1 2 281.327 2.449 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2cccc(F)c21 ZINC000492867899 332416633 /nfs/dbraw/zinc/41/66/33/332416633.db2.gz SFMIFVJMICQOGD-SNAWJCMRSA-N 1 2 257.268 2.151 20 10 CECDLO CCc1nnc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000289729644 522739571 /nfs/dbraw/zinc/73/95/71/522739571.db2.gz GRTUZZJWDRKQBF-UHFFFAOYSA-N 1 2 275.377 2.325 20 10 CECDLO C[C@H](CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000082367475 524529794 /nfs/dbraw/zinc/52/97/94/524529794.db2.gz MEIZGFBQVHLLOC-ZETCQYMHSA-N 1 2 264.152 2.417 20 10 CECDLO Oc1ccc(F)cc1C[NH+]1CC(O)(c2ccccc2)C1 ZINC000291587325 526347193 /nfs/dbraw/zinc/34/71/93/526347193.db2.gz PMQFNAINLSZKIL-UHFFFAOYSA-N 1 2 273.307 2.235 20 10 CECDLO Cc1nnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000292155759 526523156 /nfs/dbraw/zinc/52/31/56/526523156.db2.gz JYZYGURXGFHIRP-UHFFFAOYSA-N 1 2 285.395 2.344 20 10 CECDLO Cc1nnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)[nH]1 ZINC000292155759 526523162 /nfs/dbraw/zinc/52/31/62/526523162.db2.gz JYZYGURXGFHIRP-UHFFFAOYSA-N 1 2 285.395 2.344 20 10 CECDLO Cc1nc(C[N@H+]2CC=C(c3ccc(N(C)C)cc3)C2)no1 ZINC000364993984 526850942 /nfs/dbraw/zinc/85/09/42/526850942.db2.gz JRTMJAJVJHJOBY-UHFFFAOYSA-N 1 2 284.363 2.343 20 10 CECDLO Cc1nc(C[N@@H+]2CC=C(c3ccc(N(C)C)cc3)C2)no1 ZINC000364993984 526850950 /nfs/dbraw/zinc/85/09/50/526850950.db2.gz JRTMJAJVJHJOBY-UHFFFAOYSA-N 1 2 284.363 2.343 20 10 CECDLO COc1ccc([NH+]2CCC(NC(=O)CSC)CC2)cc1 ZINC000726562513 574427712 /nfs/dbraw/zinc/42/77/12/574427712.db2.gz KJBUIGHEYDLLRS-UHFFFAOYSA-N 1 2 294.420 2.143 20 10 CECDLO Cc1nnc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000726981244 574442443 /nfs/dbraw/zinc/44/24/43/574442443.db2.gz PGXBNXHBLAVGMC-UHFFFAOYSA-N 1 2 260.341 2.076 20 10 CECDLO Cc1nnc(C[N@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000726981244 574442445 /nfs/dbraw/zinc/44/24/45/574442445.db2.gz PGXBNXHBLAVGMC-UHFFFAOYSA-N 1 2 260.341 2.076 20 10 CECDLO CCc1cc(NCc2ccc(N3CCOCC3)cc2)nc[nH+]1 ZINC000733187920 574656683 /nfs/dbraw/zinc/65/66/83/574656683.db2.gz FTCKGMPNIAOOQG-UHFFFAOYSA-N 1 2 298.390 2.488 20 10 CECDLO O=C1NC(=S)S/C1=C\c1c[nH+]c2ccc(Cl)cn12 ZINC000737444946 574834648 /nfs/dbraw/zinc/83/46/48/574834648.db2.gz WCZDPWRYMZUCSP-BAQGIRSFSA-N 1 2 295.776 2.477 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000894501338 629502563 /nfs/dbraw/zinc/50/25/63/629502563.db2.gz WXDOLDOCQFRLMN-UHFFFAOYSA-N 1 2 293.260 2.262 20 10 CECDLO CC(C)[N@@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCC(=O)N1 ZINC000895015850 629798153 /nfs/dbraw/zinc/79/81/53/629798153.db2.gz ZWNLBLOVMVGAKY-LBPRGKRZSA-N 1 2 298.333 2.159 20 10 CECDLO CC(C)[N@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCC(=O)N1 ZINC000895015850 629798156 /nfs/dbraw/zinc/79/81/56/629798156.db2.gz ZWNLBLOVMVGAKY-LBPRGKRZSA-N 1 2 298.333 2.159 20 10 CECDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1cc(Cl)ccc1O ZINC000895113779 629914441 /nfs/dbraw/zinc/91/44/41/629914441.db2.gz KDCPPPUASINNGI-LPEHRKFASA-N 1 2 282.771 2.143 20 10 CECDLO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1cc(Cl)ccc1O ZINC000895113779 629914444 /nfs/dbraw/zinc/91/44/44/629914444.db2.gz KDCPPPUASINNGI-LPEHRKFASA-N 1 2 282.771 2.143 20 10 CECDLO C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc(F)c3[O-])CC[C@@H]21 ZINC000895459939 630201935 /nfs/dbraw/zinc/20/19/35/630201935.db2.gz CJIRFZQWCJGXKR-HZMBPMFUSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc(F)c3[O-])CC[C@@H]21 ZINC000895459939 630201942 /nfs/dbraw/zinc/20/19/42/630201942.db2.gz CJIRFZQWCJGXKR-HZMBPMFUSA-N 1 2 282.334 2.196 20 10 CECDLO C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)cc(F)c3[O-])CC[C@@H]21 ZINC000895459939 630201944 /nfs/dbraw/zinc/20/19/44/630201944.db2.gz CJIRFZQWCJGXKR-HZMBPMFUSA-N 1 2 282.334 2.196 20 10 CECDLO C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3[O-])CC[C@@H]21 ZINC000895459939 630201950 /nfs/dbraw/zinc/20/19/50/630201950.db2.gz CJIRFZQWCJGXKR-HZMBPMFUSA-N 1 2 282.334 2.196 20 10 CECDLO Cn1ncc(Cl)c1C[NH2+]Cc1c(O)cccc1F ZINC000896638624 630621586 /nfs/dbraw/zinc/62/15/86/630621586.db2.gz WQTBMPQCYZGSNT-UHFFFAOYSA-N 1 2 269.707 2.208 20 10 CECDLO Cc1cc(CC[NH2+]Cc2cccc(Cl)c2O)nn1C ZINC000896824036 630680788 /nfs/dbraw/zinc/68/07/88/630680788.db2.gz RGIFIUBQYYNIRE-UHFFFAOYSA-N 1 2 279.771 2.420 20 10 CECDLO CC(=O)N1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)[C@@H](C)C1 ZINC000824831669 635506348 /nfs/dbraw/zinc/50/63/48/635506348.db2.gz WJHGNJQSRQKGQX-NSHDSACASA-N 1 2 296.798 2.407 20 10 CECDLO CCn1c[nH+]c2c1CCN(Cc1cc(F)ccc1O)C2 ZINC000897334239 631134731 /nfs/dbraw/zinc/13/47/31/631134731.db2.gz PPFABQXQJIDWDG-UHFFFAOYSA-N 1 2 275.327 2.306 20 10 CECDLO Cn1cnc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000898044690 632009044 /nfs/dbraw/zinc/00/90/44/632009044.db2.gz AFAPIDALCPRQKX-UHFFFAOYSA-N 1 2 269.707 2.208 20 10 CECDLO OCCc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000898168386 632078011 /nfs/dbraw/zinc/07/80/11/632078011.db2.gz CRHFXTSWLZBUOI-UHFFFAOYSA-N 1 2 293.313 2.495 20 10 CECDLO Cc1cc(C[NH2+]Cc2cccc(Cl)c2O)nn1C ZINC000898218321 632093079 /nfs/dbraw/zinc/09/30/79/632093079.db2.gz DQRNHEBKJLFIJK-UHFFFAOYSA-N 1 2 265.744 2.377 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c(Cl)c1 ZINC000898187914 632100933 /nfs/dbraw/zinc/10/09/33/632100933.db2.gz JGYUBWLXTUJALV-RYUDHWBXSA-N 1 2 273.735 2.259 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CC[C@H](O)[C@@H](F)C2)c(Cl)c1 ZINC000898187914 632100939 /nfs/dbraw/zinc/10/09/39/632100939.db2.gz JGYUBWLXTUJALV-RYUDHWBXSA-N 1 2 273.735 2.259 20 10 CECDLO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000898544992 632533388 /nfs/dbraw/zinc/53/33/88/632533388.db2.gz FHELWPDSMZQLPT-GFCCVEGCSA-N 1 2 282.771 2.146 20 10 CECDLO CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000898544992 632533389 /nfs/dbraw/zinc/53/33/89/632533389.db2.gz FHELWPDSMZQLPT-GFCCVEGCSA-N 1 2 282.771 2.146 20 10 CECDLO CCn1nc(C)c(C[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000818223142 633888938 /nfs/dbraw/zinc/88/89/38/633888938.db2.gz QSEBMPRTOHOYKM-UHFFFAOYSA-N 1 2 298.749 2.394 20 10 CECDLO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O ZINC000903215725 635019255 /nfs/dbraw/zinc/01/92/55/635019255.db2.gz NSLMXKFXTGTSAM-UWVGGRQHSA-N 1 2 298.333 2.189 20 10 CECDLO C[C@H]([NH2+]C[C@H]1CCN1C)c1cc(F)cc(F)c1O ZINC000903319430 635054510 /nfs/dbraw/zinc/05/45/10/635054510.db2.gz ZFEUBZNZJCAFFE-WCBMZHEXSA-N 1 2 256.296 2.025 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H](C)[C@H]1O ZINC000827152312 636239503 /nfs/dbraw/zinc/23/95/03/636239503.db2.gz RILLRJDKYKSACO-IWIIMEHWSA-N 1 2 269.772 2.494 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H](C)[C@H]1O ZINC000827152312 636239509 /nfs/dbraw/zinc/23/95/09/636239509.db2.gz RILLRJDKYKSACO-IWIIMEHWSA-N 1 2 269.772 2.494 20 10 CECDLO OCCOCC[N@H+](Cc1cccc(Cl)c1O)C1CCC1 ZINC000827204375 636255664 /nfs/dbraw/zinc/25/56/64/636255664.db2.gz SRVGASLYEXMSPU-UHFFFAOYSA-N 1 2 299.798 2.409 20 10 CECDLO OCCOCC[N@@H+](Cc1cccc(Cl)c1O)C1CCC1 ZINC000827204375 636255672 /nfs/dbraw/zinc/25/56/72/636255672.db2.gz SRVGASLYEXMSPU-UHFFFAOYSA-N 1 2 299.798 2.409 20 10 CECDLO Cc1nc2n(n1)CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C2 ZINC000835028510 638030656 /nfs/dbraw/zinc/03/06/56/638030656.db2.gz KVWTWBLIXKJCSN-PLNGDYQASA-N 1 2 297.406 2.182 20 10 CECDLO Cc1nc2n(n1)CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C2 ZINC000835028510 638030663 /nfs/dbraw/zinc/03/06/63/638030663.db2.gz KVWTWBLIXKJCSN-PLNGDYQASA-N 1 2 297.406 2.182 20 10 CECDLO CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841085581 639651516 /nfs/dbraw/zinc/65/15/16/639651516.db2.gz HNUAQTUOUOOWKH-LLVKDONJSA-N 1 2 272.751 2.415 20 10 CECDLO O=C1C[N@@H+](Cc2cc3oc4ccccc4c3cc2O)CCN1 ZINC000915808273 640617824 /nfs/dbraw/zinc/61/78/24/640617824.db2.gz AQECYLCKTHTPQO-UHFFFAOYSA-N 1 2 296.326 2.223 20 10 CECDLO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877459738 650727883 /nfs/dbraw/zinc/72/78/83/650727883.db2.gz KGFKRVQMBDKRKE-ZDUSSCGKSA-N 1 2 257.280 2.017 20 10 CECDLO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877459738 650727886 /nfs/dbraw/zinc/72/78/86/650727886.db2.gz KGFKRVQMBDKRKE-ZDUSSCGKSA-N 1 2 257.280 2.017 20 10 CECDLO C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817970114 642186906 /nfs/dbraw/zinc/18/69/06/642186906.db2.gz LIVYJOMIDLPOCU-YUMQZZPRSA-N 1 2 262.275 2.409 20 10 CECDLO Cc1ccc(C[NH2+]Cc2noc(C3CC3)n2)c(O)c1 ZINC000877492951 650749623 /nfs/dbraw/zinc/74/96/23/650749623.db2.gz YYLFGVCQHRVURI-UHFFFAOYSA-N 1 2 259.309 2.251 20 10 CECDLO CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cccc(Cl)c1O ZINC000850547003 642748298 /nfs/dbraw/zinc/74/82/98/642748298.db2.gz QJXAIFVHKKUSNA-JOYOIKCWSA-N 1 2 282.771 2.365 20 10 CECDLO OCCC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877576286 650797567 /nfs/dbraw/zinc/79/75/67/650797567.db2.gz IPNDORYFNYIZJD-JTQLQIEISA-N 1 2 271.307 2.265 20 10 CECDLO OCCC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877576286 650797569 /nfs/dbraw/zinc/79/75/69/650797569.db2.gz IPNDORYFNYIZJD-JTQLQIEISA-N 1 2 271.307 2.265 20 10 CECDLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)[C@@H](O)C(F)(F)F ZINC000877693552 650853467 /nfs/dbraw/zinc/85/34/67/650853467.db2.gz KAFNWSKXQCVJTO-GPXNAGAYSA-N 1 2 285.212 2.072 20 10 CECDLO C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N(C)C ZINC000756533447 644659589 /nfs/dbraw/zinc/65/95/89/644659589.db2.gz HUBOOKDLNXWMJN-BDAKNGLRSA-N 1 2 258.312 2.271 20 10 CECDLO C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cc(F)cc(F)c1O ZINC000756739387 644688174 /nfs/dbraw/zinc/68/81/74/644688174.db2.gz MUAOXPLCMGQPJT-OQPBUACISA-N 1 2 271.307 2.482 20 10 CECDLO CCOC(=O)C[N@H+](CC)Cc1ccc(N(C)C)c(F)c1 ZINC000769008521 646191840 /nfs/dbraw/zinc/19/18/40/646191840.db2.gz ZKSHKFHFJKEJJQ-UHFFFAOYSA-N 1 2 282.359 2.277 20 10 CECDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(N(C)C)c(F)c1 ZINC000769008521 646191841 /nfs/dbraw/zinc/19/18/41/646191841.db2.gz ZKSHKFHFJKEJJQ-UHFFFAOYSA-N 1 2 282.359 2.277 20 10 CECDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775651123 646976052 /nfs/dbraw/zinc/97/60/52/646976052.db2.gz ZXMCCACVZSIEIQ-MRVPVSSYSA-N 1 2 287.718 2.180 20 10 CECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775651123 646976054 /nfs/dbraw/zinc/97/60/54/646976054.db2.gz ZXMCCACVZSIEIQ-MRVPVSSYSA-N 1 2 287.718 2.180 20 10 CECDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc(F)c1O ZINC000775985483 647013138 /nfs/dbraw/zinc/01/31/38/647013138.db2.gz LRNNQKJFXGFKBJ-QWRGUYRKSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cccc(F)c1O ZINC000775985483 647013147 /nfs/dbraw/zinc/01/31/47/647013147.db2.gz LRNNQKJFXGFKBJ-QWRGUYRKSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@H]1C[N@H+](Cc2cccc(F)c2O)[C@@H](C)CN1C ZINC000775985483 647013149 /nfs/dbraw/zinc/01/31/49/647013149.db2.gz LRNNQKJFXGFKBJ-QWRGUYRKSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)[C@@H](C)CN1C ZINC000775985483 647013153 /nfs/dbraw/zinc/01/31/53/647013153.db2.gz LRNNQKJFXGFKBJ-QWRGUYRKSA-N 1 2 252.333 2.056 20 10 CECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C(C)C ZINC000121234779 647897010 /nfs/dbraw/zinc/89/70/10/647897010.db2.gz IPXUHVZWMBMUJB-UHFFFAOYSA-N 1 2 271.744 2.429 20 10 CECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C(C)C ZINC000121234779 647897016 /nfs/dbraw/zinc/89/70/16/647897016.db2.gz IPXUHVZWMBMUJB-UHFFFAOYSA-N 1 2 271.744 2.429 20 10 CECDLO CN(CC[NH+]1CCCC1)Cc1ccc(F)c(F)c1O ZINC000703503720 809653064 /nfs/dbraw/zinc/65/30/64/809653064.db2.gz UOXWRIVUFJUYMP-UHFFFAOYSA-N 1 2 270.323 2.198 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1csnn1 ZINC000708466949 809932409 /nfs/dbraw/zinc/93/24/09/809932409.db2.gz VVECKSHURNUGEI-ZCFIWIBFSA-N 1 2 271.292 2.373 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000388201524 813231207 /nfs/dbraw/zinc/23/12/07/813231207.db2.gz SETBJLIDWUZGBW-ISVAXAHUSA-N 1 2 283.755 2.061 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000388201524 813231212 /nfs/dbraw/zinc/23/12/12/813231212.db2.gz SETBJLIDWUZGBW-ISVAXAHUSA-N 1 2 283.755 2.061 20 10 CECDLO Cc1nnc([C@H](C)[NH2+]Cc2cccc(Cl)c2O)[nH]1 ZINC000392460658 813304702 /nfs/dbraw/zinc/30/47/02/813304702.db2.gz KVPXJKGKLDMBEB-ZETCQYMHSA-N 1 2 266.732 2.323 20 10 CECDLO Cc1cnn(C)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000394055815 813336220 /nfs/dbraw/zinc/33/62/20/813336220.db2.gz BJEOIHNRXWIZBS-UHFFFAOYSA-N 1 2 265.744 2.377 20 10 CECDLO CN1CC[N@H+](Cc2c(O)cccc2F)Cc2cccnc21 ZINC001137835995 815692026 /nfs/dbraw/zinc/69/20/26/815692026.db2.gz RYYZGKMOCRJIHR-UHFFFAOYSA-N 1 2 287.338 2.378 20 10 CECDLO CN1CC[N@@H+](Cc2c(O)cccc2F)Cc2cccnc21 ZINC001137835995 815692028 /nfs/dbraw/zinc/69/20/28/815692028.db2.gz RYYZGKMOCRJIHR-UHFFFAOYSA-N 1 2 287.338 2.378 20 10 CECDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cccc(F)c1O ZINC001138131299 815736629 /nfs/dbraw/zinc/73/66/29/815736629.db2.gz VEEVCJGPLVKKGJ-SUZMYJTESA-N 1 2 279.311 2.057 20 10 CECDLO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cccc(F)c1O ZINC001138131299 815736633 /nfs/dbraw/zinc/73/66/33/815736633.db2.gz VEEVCJGPLVKKGJ-SUZMYJTESA-N 1 2 279.311 2.057 20 10 CECDLO CN1CCCc2cc(C[N@H+](C)Cc3ncccn3)ccc21 ZINC001138354405 815773230 /nfs/dbraw/zinc/77/32/30/815773230.db2.gz IGLYDSGVPBCZHT-UHFFFAOYSA-N 1 2 282.391 2.491 20 10 CECDLO CN1CCCc2cc(C[N@@H+](C)Cc3ncccn3)ccc21 ZINC001138354405 815773236 /nfs/dbraw/zinc/77/32/36/815773236.db2.gz IGLYDSGVPBCZHT-UHFFFAOYSA-N 1 2 282.391 2.491 20 10 CECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140466640 816262785 /nfs/dbraw/zinc/26/27/85/816262785.db2.gz IZUPWQOXYSULQG-MRVPVSSYSA-N 1 2 257.717 2.039 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001140466640 816262789 /nfs/dbraw/zinc/26/27/89/816262789.db2.gz IZUPWQOXYSULQG-MRVPVSSYSA-N 1 2 257.717 2.039 20 10 CECDLO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140582067 816291553 /nfs/dbraw/zinc/29/15/53/816291553.db2.gz BDSCGPRTSVUOQL-ZJUUUORDSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140582067 816291557 /nfs/dbraw/zinc/29/15/57/816291557.db2.gz BDSCGPRTSVUOQL-ZJUUUORDSA-N 1 2 271.307 2.263 20 10 CECDLO C[N@@H+]1C[C@H]2CCCN(Cc3c(O)cc(F)cc3F)[C@H]2C1 ZINC001140583412 816292345 /nfs/dbraw/zinc/29/23/45/816292345.db2.gz FQEPTFNIWRDENK-YGRLFVJLSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1C[C@H]2CCCN(Cc3c(O)cc(F)cc3F)[C@H]2C1 ZINC001140583412 816292348 /nfs/dbraw/zinc/29/23/48/816292348.db2.gz FQEPTFNIWRDENK-YGRLFVJLSA-N 1 2 282.334 2.196 20 10 CECDLO CCOC(=O)C[N@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140853303 816382875 /nfs/dbraw/zinc/38/28/75/816382875.db2.gz SVMQODSYSLZYNX-UHFFFAOYSA-N 1 2 294.395 2.233 20 10 CECDLO CCOC(=O)C[N@@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140853303 816382881 /nfs/dbraw/zinc/38/28/81/816382881.db2.gz SVMQODSYSLZYNX-UHFFFAOYSA-N 1 2 294.395 2.233 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCn1cccn1 ZINC001177449493 816560292 /nfs/dbraw/zinc/56/02/92/816560292.db2.gz GWNOGLBJYKQWFD-UHFFFAOYSA-N 1 2 269.707 2.171 20 10 CECDLO Cc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1O ZINC000179921217 368358110 /nfs/dbraw/zinc/35/81/10/368358110.db2.gz PKNIDQMVAVPXAZ-INIZCTEOSA-N 1 2 296.370 2.374 20 10 CECDLO Cc1cccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1O ZINC000179921217 368358118 /nfs/dbraw/zinc/35/81/18/368358118.db2.gz PKNIDQMVAVPXAZ-INIZCTEOSA-N 1 2 296.370 2.374 20 10 CECDLO C[C@H](O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180853921 368399002 /nfs/dbraw/zinc/39/90/02/368399002.db2.gz QJYPRXPLJIEKTG-UWVGGRQHSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@H](O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180853921 368399007 /nfs/dbraw/zinc/39/90/07/368399007.db2.gz QJYPRXPLJIEKTG-UWVGGRQHSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(F)c(F)c1O ZINC000187813382 369228404 /nfs/dbraw/zinc/22/84/04/369228404.db2.gz VCQYJYAMSXUKQT-QMMMGPOBSA-N 1 2 273.279 2.084 20 10 CECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](C)CC ZINC000187865043 369238865 /nfs/dbraw/zinc/23/88/65/369238865.db2.gz KZSYQQLQFCSVTC-NHYWBVRUSA-N 1 2 295.379 2.468 20 10 CECDLO COC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000191381064 369708274 /nfs/dbraw/zinc/70/82/74/369708274.db2.gz JOKLGXRMIVOUQD-VIFPVBQESA-N 1 2 289.734 2.032 20 10 CECDLO COC[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000191381064 369708280 /nfs/dbraw/zinc/70/82/80/369708280.db2.gz JOKLGXRMIVOUQD-VIFPVBQESA-N 1 2 289.734 2.032 20 10 CECDLO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000279124659 296170788 /nfs/dbraw/zinc/17/07/88/296170788.db2.gz QKQHZJWIWWCIBM-BDAKNGLRSA-N 1 2 259.296 2.482 20 10 CECDLO CCN(C)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187669136 284339570 /nfs/dbraw/zinc/33/95/70/284339570.db2.gz STVVGTOPTMKIJK-VIFPVBQESA-N 1 2 258.312 2.273 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2CCOC[C@@H]21 ZINC000366495797 373070386 /nfs/dbraw/zinc/07/03/86/373070386.db2.gz HLQVSQIXWPTQQA-GXTWGEPZSA-N 1 2 283.755 2.035 20 10 CECDLO Oc1c(F)cccc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000374903218 374634948 /nfs/dbraw/zinc/63/49/48/374634948.db2.gz ZHWOPEXVLZHDQE-UHFFFAOYSA-N 1 2 264.344 2.201 20 10 CECDLO Oc1c(F)cccc1CN1CCC[N@H+](C2CC2)CC1 ZINC000374903218 374634952 /nfs/dbraw/zinc/63/49/52/374634952.db2.gz ZHWOPEXVLZHDQE-UHFFFAOYSA-N 1 2 264.344 2.201 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCCN(C2CC2)CC1 ZINC000374903218 374634959 /nfs/dbraw/zinc/63/49/59/374634959.db2.gz ZHWOPEXVLZHDQE-UHFFFAOYSA-N 1 2 264.344 2.201 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCCN(C2CC2)CC1 ZINC000374903218 374634962 /nfs/dbraw/zinc/63/49/62/374634962.db2.gz ZHWOPEXVLZHDQE-UHFFFAOYSA-N 1 2 264.344 2.201 20 10 CECDLO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293547724 395239469 /nfs/dbraw/zinc/23/94/69/395239469.db2.gz GRFRKLDWIGOXOB-YUMQZZPRSA-N 1 2 261.724 2.291 20 10 CECDLO CCN(C)C(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000185183960 262045361 /nfs/dbraw/zinc/04/53/61/262045361.db2.gz JWOKNLGHKKNLLM-UHFFFAOYSA-N 1 2 291.178 2.267 20 10 CECDLO CCOc1ccccc1N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493339277 262148689 /nfs/dbraw/zinc/14/86/89/262148689.db2.gz SXNGCWGBHYUUTH-CMDGGOBGSA-N 1 2 271.320 2.485 20 10 CECDLO CCOc1ccccc1N(C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493339278 262148732 /nfs/dbraw/zinc/14/87/32/262148732.db2.gz SXNGCWGBHYUUTH-HJWRWDBZSA-N 1 2 271.320 2.485 20 10 CECDLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccc(F)cc2O1 ZINC000493502160 262179073 /nfs/dbraw/zinc/17/90/73/262179073.db2.gz XKKXAMKUTDSZRZ-TZGMSPROSA-N 1 2 287.294 2.376 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000377709674 329026431 /nfs/dbraw/zinc/02/64/31/329026431.db2.gz ZGDGDKWTMBQIAX-DZGCQCFKSA-N 1 2 297.782 2.425 20 10 CECDLO COC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000219136519 329147548 /nfs/dbraw/zinc/14/75/48/329147548.db2.gz XDYCXJYCAQEPCX-JTQLQIEISA-N 1 2 294.178 2.186 20 10 CECDLO CCCOc1ccc(C[NH2+][C@H](C(=O)OC)C2CC2)c(O)c1 ZINC000276408348 520371484 /nfs/dbraw/zinc/37/14/84/520371484.db2.gz DZWNXRRQCJMVME-HNNXBMFYSA-N 1 2 293.363 2.222 20 10 CECDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000291363687 521891510 /nfs/dbraw/zinc/89/15/10/521891510.db2.gz YQWHPHBFWDIXAG-CQSZACIVSA-N 1 2 296.386 2.129 20 10 CECDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000291363687 521891536 /nfs/dbraw/zinc/89/15/36/521891536.db2.gz YQWHPHBFWDIXAG-CQSZACIVSA-N 1 2 296.386 2.129 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)CC[S@@]1=O ZINC000277601068 524514656 /nfs/dbraw/zinc/51/46/56/524514656.db2.gz LEKKNYUEPPUNOO-MLCYQJTMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)CC[S@@]1=O ZINC000277601068 524514661 /nfs/dbraw/zinc/51/46/61/524514661.db2.gz LEKKNYUEPPUNOO-MLCYQJTMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccc(F)c(F)c1O ZINC000277221954 525419843 /nfs/dbraw/zinc/41/98/43/525419843.db2.gz LGYYXQJEVXHFDX-SECBINFHSA-N 1 2 287.306 2.474 20 10 CECDLO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000279224658 525460899 /nfs/dbraw/zinc/46/08/99/525460899.db2.gz PJIAVJZVIVZTRP-UHFFFAOYSA-N 1 2 298.390 2.177 20 10 CECDLO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000279224658 525460912 /nfs/dbraw/zinc/46/09/12/525460912.db2.gz PJIAVJZVIVZTRP-UHFFFAOYSA-N 1 2 298.390 2.177 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000732285065 574618150 /nfs/dbraw/zinc/61/81/50/574618150.db2.gz PLOIYHZBTGHMMB-SECBINFHSA-N 1 2 277.349 2.197 20 10 CECDLO CCOC(=O)[C@H](CC1CC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000753569902 575330409 /nfs/dbraw/zinc/33/04/09/575330409.db2.gz IRULFTYOTYDMTH-HNNXBMFYSA-N 1 2 289.375 2.443 20 10 CECDLO COC(=O)[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(C)(C)C ZINC000894422202 629457597 /nfs/dbraw/zinc/45/75/97/629457597.db2.gz ICXOJPFYXOFEFO-CQSZACIVSA-N 1 2 295.379 2.387 20 10 CECDLO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(F)c3[O-])CC[C@@H]21 ZINC000895459945 630202388 /nfs/dbraw/zinc/20/23/88/630202388.db2.gz CJIRFZQWCJGXKR-YGRLFVJLSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(F)cc(F)c3[O-])CC[C@@H]21 ZINC000895459945 630202396 /nfs/dbraw/zinc/20/23/96/630202396.db2.gz CJIRFZQWCJGXKR-YGRLFVJLSA-N 1 2 282.334 2.196 20 10 CECDLO C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3[O-])CC[C@@H]21 ZINC000895459945 630202400 /nfs/dbraw/zinc/20/24/00/630202400.db2.gz CJIRFZQWCJGXKR-YGRLFVJLSA-N 1 2 282.334 2.196 20 10 CECDLO C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3[O-])CC[C@@H]21 ZINC000895459945 630202404 /nfs/dbraw/zinc/20/24/04/630202404.db2.gz CJIRFZQWCJGXKR-YGRLFVJLSA-N 1 2 282.334 2.196 20 10 CECDLO COc1cc(O)c(C[NH2+]C2(C(F)F)CC2)cc1OC ZINC000800542823 631134169 /nfs/dbraw/zinc/13/41/69/631134169.db2.gz MYFABWOOKIOAKE-UHFFFAOYSA-N 1 2 273.279 2.297 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000898216612 632093285 /nfs/dbraw/zinc/09/32/85/632093285.db2.gz ZQWCYKRKVMEREE-UHFFFAOYSA-N 1 2 293.754 2.062 20 10 CECDLO C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841059354 632361561 /nfs/dbraw/zinc/36/15/61/632361561.db2.gz QECAYFCMCGQIMS-GZMMTYOYSA-N 1 2 299.758 2.041 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1cn[nH]c1 ZINC000811512814 632393115 /nfs/dbraw/zinc/39/31/15/632393115.db2.gz LFVNBRKKJCDSJT-UHFFFAOYSA-N 1 2 269.707 2.240 20 10 CECDLO CN(Cc1ccccc1O)c1cc(NC2CC2)[nH+]cn1 ZINC000840279557 632626020 /nfs/dbraw/zinc/62/60/20/632626020.db2.gz BQNFIYLAWSIMAX-UHFFFAOYSA-N 1 2 270.336 2.393 20 10 CECDLO CN(Cc1ccccc1O)c1cc(NC2CC2)nc[nH+]1 ZINC000840279557 632626021 /nfs/dbraw/zinc/62/60/21/632626021.db2.gz BQNFIYLAWSIMAX-UHFFFAOYSA-N 1 2 270.336 2.393 20 10 CECDLO Cc1cc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)ccc1N(C)C ZINC000815100070 632959154 /nfs/dbraw/zinc/95/91/54/632959154.db2.gz BXDAEJGITCJHQE-IKDJWVMYSA-N 1 2 294.464 2.402 20 10 CECDLO Cc1cc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)ccc1N(C)C ZINC000815100070 632959157 /nfs/dbraw/zinc/95/91/57/632959157.db2.gz BXDAEJGITCJHQE-IKDJWVMYSA-N 1 2 294.464 2.402 20 10 CECDLO C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816566941 633414152 /nfs/dbraw/zinc/41/41/52/633414152.db2.gz LYHINPJQSBQVSD-SFYZADRCSA-N 1 2 261.724 2.434 20 10 CECDLO C[NH2+]CCN[C@H](C)c1cc(Br)c(F)cc1O ZINC000817952755 633796795 /nfs/dbraw/zinc/79/67/95/633796795.db2.gz MBOOJIPGOZLFPO-SSDOTTSWSA-N 1 2 291.164 2.164 20 10 CECDLO CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000824533258 635444177 /nfs/dbraw/zinc/44/41/77/635444177.db2.gz CJUHTTYBNWHVIU-JTQLQIEISA-N 1 2 261.724 2.387 20 10 CECDLO CC[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000824533258 635444178 /nfs/dbraw/zinc/44/41/78/635444178.db2.gz CJUHTTYBNWHVIU-JTQLQIEISA-N 1 2 261.724 2.387 20 10 CECDLO COc1cc(Cl)cc(C[NH2+]C(CF)CF)c1O ZINC000824554850 635450533 /nfs/dbraw/zinc/45/05/33/635450533.db2.gz NXCCUFJHOOLSFP-UHFFFAOYSA-N 1 2 265.687 2.451 20 10 CECDLO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000824708920 635481949 /nfs/dbraw/zinc/48/19/49/635481949.db2.gz LHLNRNMUPVCHRA-MFKMUULPSA-N 1 2 285.771 2.187 20 10 CECDLO CO[C@]1(CO)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000826952714 636170097 /nfs/dbraw/zinc/17/00/97/636170097.db2.gz QIMOGNSPILDBLU-CQSZACIVSA-N 1 2 285.771 2.019 20 10 CECDLO CO[C@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000826952714 636170110 /nfs/dbraw/zinc/17/01/10/636170110.db2.gz QIMOGNSPILDBLU-CQSZACIVSA-N 1 2 285.771 2.019 20 10 CECDLO CCn1cc(C[NH2+]Cc2cc(Cl)c(F)cc2O)nn1 ZINC000827087674 636209833 /nfs/dbraw/zinc/20/98/33/636209833.db2.gz RLOFRXPHEZAUHQ-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000827715781 636402613 /nfs/dbraw/zinc/40/26/13/636402613.db2.gz OXLGBTDEAPCCGA-PWSUYJOCSA-N 1 2 259.708 2.452 20 10 CECDLO Cn1cc(C[N@H+](C)Cc2ccc(F)c(F)c2O)cn1 ZINC000876547472 650318529 /nfs/dbraw/zinc/31/85/29/650318529.db2.gz BRPDHJJEKOFCLE-UHFFFAOYSA-N 1 2 267.279 2.036 20 10 CECDLO Cn1cc(C[N@@H+](C)Cc2ccc(F)c(F)c2O)cn1 ZINC000876547472 650318533 /nfs/dbraw/zinc/31/85/33/650318533.db2.gz BRPDHJJEKOFCLE-UHFFFAOYSA-N 1 2 267.279 2.036 20 10 CECDLO Cc1cc(NC(=O)NCCc2ccc(N)cc2)c(C)c[nH+]1 ZINC000841170202 639697983 /nfs/dbraw/zinc/69/79/83/639697983.db2.gz XPUZUAQFGJQGBG-UHFFFAOYSA-N 1 2 284.363 2.067 20 10 CECDLO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877180539 650613636 /nfs/dbraw/zinc/61/36/36/650613636.db2.gz ZEWLRNZZGMWVGP-CYBMUJFWSA-N 1 2 284.350 2.442 20 10 CECDLO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877180539 650613638 /nfs/dbraw/zinc/61/36/38/650613638.db2.gz ZEWLRNZZGMWVGP-CYBMUJFWSA-N 1 2 284.350 2.442 20 10 CECDLO COC(=O)[C@@H]([NH2+]Cc1ccc(C)cc1O)C(C)(C)C ZINC000877170982 650608438 /nfs/dbraw/zinc/60/84/38/650608438.db2.gz YXNDIWJDZOWZQD-CYBMUJFWSA-N 1 2 265.353 2.378 20 10 CECDLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000844729894 640820403 /nfs/dbraw/zinc/82/04/03/640820403.db2.gz WGVISJJPYQPRML-UHFFFAOYSA-N 1 2 290.407 2.272 20 10 CECDLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000844729894 640820405 /nfs/dbraw/zinc/82/04/05/640820405.db2.gz WGVISJJPYQPRML-UHFFFAOYSA-N 1 2 290.407 2.272 20 10 CECDLO C[C@@H]1[C@H](C)N(Cc2ccc(F)c(F)c2O)CC[N@H+]1C ZINC000877409262 650710611 /nfs/dbraw/zinc/71/06/11/650710611.db2.gz ONXPVPDQPZDQQE-ZJUUUORDSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@@H]1[C@H](C)N(Cc2ccc(F)c(F)c2O)CC[N@@H+]1C ZINC000877409262 650710616 /nfs/dbraw/zinc/71/06/16/650710616.db2.gz ONXPVPDQPZDQQE-ZJUUUORDSA-N 1 2 270.323 2.195 20 10 CECDLO Cc1noc(C[N@@H+](C)Cc2c(O)ccc3ccncc32)n1 ZINC000848503951 642016815 /nfs/dbraw/zinc/01/68/15/642016815.db2.gz WHSDIODSMXOVCL-UHFFFAOYSA-N 1 2 284.319 2.264 20 10 CECDLO Cc1noc(C[N@H+](C)Cc2c(O)ccc3ccncc32)n1 ZINC000848503951 642016823 /nfs/dbraw/zinc/01/68/23/642016823.db2.gz WHSDIODSMXOVCL-UHFFFAOYSA-N 1 2 284.319 2.264 20 10 CECDLO CCc1cccc(C[N@H+](C)Cc2nc(C)no2)c1O ZINC000848929058 642199105 /nfs/dbraw/zinc/19/91/05/642199105.db2.gz SFTBRGGCGLLARM-UHFFFAOYSA-N 1 2 261.325 2.278 20 10 CECDLO CCc1cccc(C[N@@H+](C)Cc2nc(C)no2)c1O ZINC000848929058 642199109 /nfs/dbraw/zinc/19/91/09/642199109.db2.gz SFTBRGGCGLLARM-UHFFFAOYSA-N 1 2 261.325 2.278 20 10 CECDLO C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(F)c1[O-] ZINC000877527371 650768586 /nfs/dbraw/zinc/76/85/86/650768586.db2.gz KVFFERHGIDAQNY-UHFFFAOYSA-N 1 2 281.306 2.389 20 10 CECDLO C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)c(F)c1[O-] ZINC000877527371 650768587 /nfs/dbraw/zinc/76/85/87/650768587.db2.gz KVFFERHGIDAQNY-UHFFFAOYSA-N 1 2 281.306 2.389 20 10 CECDLO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(F)cc(F)c1O ZINC000850513638 642736289 /nfs/dbraw/zinc/73/62/89/642736289.db2.gz AHKCJEYYLXZVQG-IUCAKERBSA-N 1 2 271.307 2.482 20 10 CECDLO C[NH+](C)[C@H](CNCc1c(O)cccc1Cl)C1CC1 ZINC000113324822 643425050 /nfs/dbraw/zinc/42/50/50/643425050.db2.gz RXZLECYOKXTTGL-CYBMUJFWSA-N 1 2 268.788 2.475 20 10 CECDLO Cc1noc(C2C[NH+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000839130951 644168386 /nfs/dbraw/zinc/16/83/86/644168386.db2.gz JMHMMOWOBYDOQS-UHFFFAOYSA-N 1 2 297.717 2.476 20 10 CECDLO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(F)cc(F)c1O ZINC000756359994 644635057 /nfs/dbraw/zinc/63/50/57/644635057.db2.gz CYQNSDIOJAZFOM-SNVBAGLBSA-N 1 2 298.333 2.334 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cc(F)cc(F)c1O ZINC000756459820 644651837 /nfs/dbraw/zinc/65/18/37/644651837.db2.gz XNNIFJYWJQSJJG-ONGXEEELSA-N 1 2 270.323 2.415 20 10 CECDLO C[C@H](CCCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756648725 644679027 /nfs/dbraw/zinc/67/90/27/644679027.db2.gz YZVBRNKYNGMEKS-BDAKNGLRSA-N 1 2 259.296 2.482 20 10 CECDLO CCn1cnnc1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756731808 644687575 /nfs/dbraw/zinc/68/75/75/644687575.db2.gz DCFKUPKZGCZNJC-VIFPVBQESA-N 1 2 296.321 2.175 20 10 CECDLO CC[C@H]([NH2+]C[C@@H]1COCCN1C)c1cccc(Cl)c1O ZINC000858523509 645190624 /nfs/dbraw/zinc/19/06/24/645190624.db2.gz RDGDGSBVOZDQSB-RISCZKNCSA-N 1 2 298.814 2.417 20 10 CECDLO Cc1cc(NC(=O)N(C)Cc2ccccc2O)c(C)c[nH+]1 ZINC000767943818 646058997 /nfs/dbraw/zinc/05/89/97/646058997.db2.gz RYXFHQCVHXLAFQ-UHFFFAOYSA-N 1 2 285.347 2.490 20 10 CECDLO Cc1c[nH]c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000862210473 646365599 /nfs/dbraw/zinc/36/55/99/646365599.db2.gz MOOSZLINHINWDT-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO Cc1c[nH]c(C[N@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000862210473 646365606 /nfs/dbraw/zinc/36/56/06/646365606.db2.gz MOOSZLINHINWDT-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO CCN(C)c1ccc(C[N@@H+]2CCN(C(C)C)C(=O)C2)cc1 ZINC000773830206 646778332 /nfs/dbraw/zinc/77/83/32/646778332.db2.gz FDJCUSTVOHIKNH-UHFFFAOYSA-N 1 2 289.423 2.195 20 10 CECDLO CCN(C)c1ccc(C[N@H+]2CCN(C(C)C)C(=O)C2)cc1 ZINC000773830206 646778333 /nfs/dbraw/zinc/77/83/33/646778333.db2.gz FDJCUSTVOHIKNH-UHFFFAOYSA-N 1 2 289.423 2.195 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000775744005 646986642 /nfs/dbraw/zinc/98/66/42/646986642.db2.gz IUZGPEAUTYMTSY-PRHODGIISA-N 1 2 273.735 2.387 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000775744005 646986645 /nfs/dbraw/zinc/98/66/45/646986645.db2.gz IUZGPEAUTYMTSY-PRHODGIISA-N 1 2 273.735 2.387 20 10 CECDLO COCCOC[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000776220634 647038461 /nfs/dbraw/zinc/03/84/61/647038461.db2.gz OSVQJWZNUGCPCV-JTQLQIEISA-N 1 2 273.760 2.187 20 10 CECDLO CC[C@@H]([NH2+]Cc1nonc1C)c1ccc(F)cc1O ZINC000872137806 649288970 /nfs/dbraw/zinc/28/89/70/649288970.db2.gz WTTLFBBUSHPNTG-LLVKDONJSA-N 1 2 265.288 2.464 20 10 CECDLO CCOc1cccc(CNc2cc(CO)cc[nH+]2)c1O ZINC000883147865 652379054 /nfs/dbraw/zinc/37/90/54/652379054.db2.gz LVJHDSLXMAKPOJ-UHFFFAOYSA-N 1 2 274.320 2.290 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000883199499 652397532 /nfs/dbraw/zinc/39/75/32/652397532.db2.gz GXKBVWDYWPDGCB-OCCSQVGLSA-N 1 2 269.291 2.472 20 10 CECDLO Cn1cc2c(n1)CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140341467 802840026 /nfs/dbraw/zinc/84/00/26/802840026.db2.gz PNDCYMKPUWCGBE-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Cn1cc2c(n1)CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140341467 802840030 /nfs/dbraw/zinc/84/00/30/802840030.db2.gz PNDCYMKPUWCGBE-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO CC[N@H+](CC(=O)OC)Cc1ccc(Cl)cc1O ZINC001140468331 802964258 /nfs/dbraw/zinc/96/42/58/802964258.db2.gz GIMGBJQEUXULFA-UHFFFAOYSA-N 1 2 257.717 2.041 20 10 CECDLO CC[N@@H+](CC(=O)OC)Cc1ccc(Cl)cc1O ZINC001140468331 802964262 /nfs/dbraw/zinc/96/42/62/802964262.db2.gz GIMGBJQEUXULFA-UHFFFAOYSA-N 1 2 257.717 2.041 20 10 CECDLO COc1cccc(O)c1C[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC001118611149 815030436 /nfs/dbraw/zinc/03/04/36/815030436.db2.gz YZQUWHKTRWEVMG-CQSZACIVSA-N 1 2 287.306 2.257 20 10 CECDLO COc1cccc(O)c1C[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC001118611149 815030441 /nfs/dbraw/zinc/03/04/41/815030441.db2.gz YZQUWHKTRWEVMG-CQSZACIVSA-N 1 2 287.306 2.257 20 10 CECDLO CC[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)C[C@H]1C ZINC000703488890 809652525 /nfs/dbraw/zinc/65/25/25/809652525.db2.gz BTUNLBKSNOAUGH-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO CC[N@H+]1CCN(Cc2ccc(F)c(F)c2O)C[C@H]1C ZINC000703488890 809652528 /nfs/dbraw/zinc/65/25/28/809652528.db2.gz BTUNLBKSNOAUGH-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO COC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000703586556 809666746 /nfs/dbraw/zinc/66/67/46/809666746.db2.gz RNNWUWALFLUGQO-UHFFFAOYSA-N 1 2 257.280 2.281 20 10 CECDLO C[C@H](Cn1ccnc1)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708494555 809943296 /nfs/dbraw/zinc/94/32/96/809943296.db2.gz LSALTEOVMCOHMT-SECBINFHSA-N 1 2 267.279 2.045 20 10 CECDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)C1(CO)CC1 ZINC000696098767 814642190 /nfs/dbraw/zinc/64/21/90/814642190.db2.gz GSVFCHSYXDSMBC-SECBINFHSA-N 1 2 255.745 2.296 20 10 CECDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1c(O)cccc1F ZINC001137841536 815695528 /nfs/dbraw/zinc/69/55/28/815695528.db2.gz IUXMPULRWBFDGV-BFVZDQMLSA-N 1 2 279.311 2.057 20 10 CECDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1c(O)cccc1F ZINC001137841536 815695533 /nfs/dbraw/zinc/69/55/33/815695533.db2.gz IUXMPULRWBFDGV-BFVZDQMLSA-N 1 2 279.311 2.057 20 10 CECDLO CN1C[C@H]2CCC[N@@H+](Cc3c(O)cccc3F)[C@@H]2C1 ZINC001137838896 815695931 /nfs/dbraw/zinc/69/59/31/815695931.db2.gz MEERLONKGVDFAF-BXUZGUMPSA-N 1 2 264.344 2.057 20 10 CECDLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC001138129465 815733098 /nfs/dbraw/zinc/73/30/98/815733098.db2.gz FEDDLTYPCDDDJC-CYBMUJFWSA-N 1 2 251.301 2.475 20 10 CECDLO CC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC001138129465 815733104 /nfs/dbraw/zinc/73/31/04/815733104.db2.gz FEDDLTYPCDDDJC-CYBMUJFWSA-N 1 2 251.301 2.475 20 10 CECDLO COC(=O)[C@H](C)[N@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138258265 815756625 /nfs/dbraw/zinc/75/66/25/815756625.db2.gz NRAABUOTUNJLQW-LBPRGKRZSA-N 1 2 274.364 2.480 20 10 CECDLO COC(=O)[C@H](C)[N@@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138258265 815756633 /nfs/dbraw/zinc/75/66/33/815756633.db2.gz NRAABUOTUNJLQW-LBPRGKRZSA-N 1 2 274.364 2.480 20 10 CECDLO O=C(C1CC1)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140467002 816261978 /nfs/dbraw/zinc/26/19/78/816261978.db2.gz PSLBONFBWWCWFS-UHFFFAOYSA-N 1 2 294.782 2.100 20 10 CECDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(O)cc(F)cc1F ZINC001140580831 816291015 /nfs/dbraw/zinc/29/10/15/816291015.db2.gz HQHMFOMDRDMKKL-VHSXEESVSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@]1(O)CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583870 816293945 /nfs/dbraw/zinc/29/39/45/816293945.db2.gz WSWJTIQQEPPDGL-ZDUSSCGKSA-N 1 2 257.280 2.017 20 10 CECDLO C[C@]1(O)CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583870 816293953 /nfs/dbraw/zinc/29/39/53/816293953.db2.gz WSWJTIQQEPPDGL-ZDUSSCGKSA-N 1 2 257.280 2.017 20 10 CECDLO C[N@H+](Cc1c(O)cc(F)cc1F)[C@H]1CCCOC1 ZINC001140585262 816294964 /nfs/dbraw/zinc/29/49/64/816294964.db2.gz BXQQRQOJXJMHQV-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO C[N@@H+](Cc1c(O)cc(F)cc1F)[C@H]1CCCOC1 ZINC001140585262 816294969 /nfs/dbraw/zinc/29/49/69/816294969.db2.gz BXQQRQOJXJMHQV-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO COc1cc(O)c(C[N@@H+]2CCC(=O)C(C)(C)C2)c(OC)c1 ZINC001141029565 816450874 /nfs/dbraw/zinc/45/08/74/816450874.db2.gz WAUOBGFBMMLKDA-UHFFFAOYSA-N 1 2 293.363 2.210 20 10 CECDLO COc1cc(O)c(C[N@H+]2CCC(=O)C(C)(C)C2)c(OC)c1 ZINC001141029565 816450879 /nfs/dbraw/zinc/45/08/79/816450879.db2.gz WAUOBGFBMMLKDA-UHFFFAOYSA-N 1 2 293.363 2.210 20 10 CECDLO Cc1cc(C)c(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c(O)c1 ZINC001178122010 816690817 /nfs/dbraw/zinc/69/08/17/816690817.db2.gz PKQHKZVDALYPIP-ZDUSSCGKSA-N 1 2 299.374 2.084 20 10 CECDLO CCNC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000036795149 361859559 /nfs/dbraw/zinc/85/95/59/361859559.db2.gz WIBOBQZNISJXFX-ZETCQYMHSA-N 1 2 291.178 2.313 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000160208431 366982209 /nfs/dbraw/zinc/98/22/09/366982209.db2.gz PTEMWAWBWAPTRI-STQMWFEESA-N 1 2 251.301 2.285 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000160208431 366982215 /nfs/dbraw/zinc/98/22/15/366982215.db2.gz PTEMWAWBWAPTRI-STQMWFEESA-N 1 2 251.301 2.285 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000160208591 366982828 /nfs/dbraw/zinc/98/28/28/366982828.db2.gz PTEMWAWBWAPTRI-QWHCGFSZSA-N 1 2 251.301 2.285 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000160208591 366982834 /nfs/dbraw/zinc/98/28/34/366982834.db2.gz PTEMWAWBWAPTRI-QWHCGFSZSA-N 1 2 251.301 2.285 20 10 CECDLO CN1CC[N@H+](Cc2cccc(Cl)c2O)C(C)(C)C1=O ZINC000180420474 368381038 /nfs/dbraw/zinc/38/10/38/368381038.db2.gz XYDAZKICLNQKEU-UHFFFAOYSA-N 1 2 282.771 2.098 20 10 CECDLO CN1CC[N@@H+](Cc2cccc(Cl)c2O)C(C)(C)C1=O ZINC000180420474 368381045 /nfs/dbraw/zinc/38/10/45/368381045.db2.gz XYDAZKICLNQKEU-UHFFFAOYSA-N 1 2 282.771 2.098 20 10 CECDLO C[C@@H]([NH2+]CCCCCO)c1ccc(F)c(F)c1O ZINC000192925138 296121569 /nfs/dbraw/zinc/12/15/69/296121569.db2.gz XETOFSHYBGULPB-SECBINFHSA-N 1 2 259.296 2.484 20 10 CECDLO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(F)c(F)c1O ZINC000276969780 296127187 /nfs/dbraw/zinc/12/71/87/296127187.db2.gz UBDMWVIXOLRKBY-RKDXNWHRSA-N 1 2 258.312 2.271 20 10 CECDLO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187729642 369212571 /nfs/dbraw/zinc/21/25/71/369212571.db2.gz ZMQKZBJDJIYUDF-DKCNOQQISA-N 1 2 291.363 2.433 20 10 CECDLO O=C1OCC[C@]12CCC[N@H+]2Cc1cccc(Cl)c1O ZINC000190039611 369591511 /nfs/dbraw/zinc/59/15/11/369591511.db2.gz DTAKSZSLEMWLJK-CQSZACIVSA-N 1 2 281.739 2.327 20 10 CECDLO O=C1OCC[C@]12CCC[N@@H+]2Cc1cccc(Cl)c1O ZINC000190039611 369591513 /nfs/dbraw/zinc/59/15/13/369591513.db2.gz DTAKSZSLEMWLJK-CQSZACIVSA-N 1 2 281.739 2.327 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ncn(C)n1 ZINC000275700226 374217534 /nfs/dbraw/zinc/21/75/34/374217534.db2.gz KPQWOARCLNKIKC-RYUDHWBXSA-N 1 2 273.384 2.293 20 10 CECDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[S@@](=O)C1 ZINC000277362005 374492603 /nfs/dbraw/zinc/49/26/03/374492603.db2.gz FHFZDAFSIHIBNN-XTZNXHDOSA-N 1 2 287.812 2.246 20 10 CECDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[S@@](=O)C1 ZINC000277362005 374492610 /nfs/dbraw/zinc/49/26/10/374492610.db2.gz FHFZDAFSIHIBNN-XTZNXHDOSA-N 1 2 287.812 2.246 20 10 CECDLO O=C(c1cccc(O)c1O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000187049132 296253759 /nfs/dbraw/zinc/25/37/59/296253759.db2.gz WKLFDXDGLCCBEG-NSHDSACASA-N 1 2 287.319 2.188 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH+]1CC2(C1)CCOC2 ZINC000293962785 377850710 /nfs/dbraw/zinc/85/07/10/377850710.db2.gz JQMZNCSUXDFIFM-UHFFFAOYSA-N 1 2 271.719 2.407 20 10 CECDLO C[N@H+](Cc1nc(C2CC2)no1)Cc1ccccc1O ZINC000109770364 394735254 /nfs/dbraw/zinc/73/52/54/394735254.db2.gz HBHAMRALIHTGBW-UHFFFAOYSA-N 1 2 259.309 2.285 20 10 CECDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000373018848 395051794 /nfs/dbraw/zinc/05/17/94/395051794.db2.gz MDDXSFSSJXANQY-MLCYQJTMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000373018848 395051795 /nfs/dbraw/zinc/05/17/95/395051795.db2.gz MDDXSFSSJXANQY-MLCYQJTMSA-N 1 2 287.812 2.389 20 10 CECDLO Oc1ccc(F)cc1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000376169033 395110781 /nfs/dbraw/zinc/11/07/81/395110781.db2.gz ZKWJZDLBLLZENJ-UHFFFAOYSA-N 1 2 276.315 2.029 20 10 CECDLO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2O)C1 ZINC000187761257 395305453 /nfs/dbraw/zinc/30/54/53/395305453.db2.gz HXFPLFGTRYUNIV-UWVGGRQHSA-N 1 2 298.333 2.332 20 10 CECDLO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000193493916 395410093 /nfs/dbraw/zinc/41/00/93/395410093.db2.gz CPULOKWYTGZIDT-GXSJLCMTSA-N 1 2 283.755 2.477 20 10 CECDLO COC(=O)[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC000040218989 174206260 /nfs/dbraw/zinc/20/62/60/174206260.db2.gz MXYZDESSKHUHBO-CQSZACIVSA-N 1 2 265.353 2.291 20 10 CECDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ncnn1C ZINC000276443252 263036848 /nfs/dbraw/zinc/03/68/48/263036848.db2.gz IYRYOOPIIBSDFQ-MRVPVSSYSA-N 1 2 266.732 2.025 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)NCc1ccc(N2CCCC2)cc1 ZINC000283567715 263083380 /nfs/dbraw/zinc/08/33/80/263083380.db2.gz VJQSJHTYASXSFK-VMPITWQZSA-N 1 2 296.374 2.340 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000376856311 268024481 /nfs/dbraw/zinc/02/44/81/268024481.db2.gz NWAYWALZNCRGGT-LLVKDONJSA-N 1 2 277.755 2.416 20 10 CECDLO Oc1c(Cl)cccc1CN1CCn2c[nH+]cc2C1 ZINC000291533699 328264748 /nfs/dbraw/zinc/26/47/48/328264748.db2.gz KNCMKXLXIYXXKW-UHFFFAOYSA-N 1 2 263.728 2.258 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2c1c(F)ccc2F ZINC000492941262 332419355 /nfs/dbraw/zinc/41/93/55/332419355.db2.gz OVWDCFWCNNNUDR-DAFODLJHSA-N 1 2 275.258 2.290 20 10 CECDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000274895480 523787392 /nfs/dbraw/zinc/78/73/92/523787392.db2.gz FSDKHJHPBZQUHO-MFKMUULPSA-N 1 2 281.327 2.305 20 10 CECDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(F)ccc1O ZINC000274895480 523787395 /nfs/dbraw/zinc/78/73/95/523787395.db2.gz FSDKHJHPBZQUHO-MFKMUULPSA-N 1 2 281.327 2.305 20 10 CECDLO Cc1cccc(C[N@H+](C)Cc2ncnn2CC(F)F)c1O ZINC000278843873 524379654 /nfs/dbraw/zinc/37/96/54/524379654.db2.gz CPYFACCLCGYAKR-UHFFFAOYSA-N 1 2 296.321 2.189 20 10 CECDLO Cc1cccc(C[N@@H+](C)Cc2ncnn2CC(F)F)c1O ZINC000278843873 524379660 /nfs/dbraw/zinc/37/96/60/524379660.db2.gz CPYFACCLCGYAKR-UHFFFAOYSA-N 1 2 296.321 2.189 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)CC[S@]1=O ZINC000277766786 524510015 /nfs/dbraw/zinc/51/00/15/524510015.db2.gz VVHSPLFDWUCVNX-MGNBDDOMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CC[S@]1=O ZINC000277766786 524510024 /nfs/dbraw/zinc/51/00/24/524510024.db2.gz VVHSPLFDWUCVNX-MGNBDDOMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cccc(Cl)c1O ZINC000131041381 524866834 /nfs/dbraw/zinc/86/68/34/524866834.db2.gz JUQJAQWLMOTIMH-XYZCENFISA-N 1 2 275.801 2.244 20 10 CECDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000131041381 524866842 /nfs/dbraw/zinc/86/68/42/524866842.db2.gz JUQJAQWLMOTIMH-XYZCENFISA-N 1 2 275.801 2.244 20 10 CECDLO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccc(F)c(F)c1O ZINC000277221958 525317133 /nfs/dbraw/zinc/31/71/33/525317133.db2.gz LGYYXQJEVXHFDX-VIFPVBQESA-N 1 2 287.306 2.474 20 10 CECDLO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(F)c(F)c1O ZINC000187717491 525418624 /nfs/dbraw/zinc/41/86/24/525418624.db2.gz SEYHBTGVCUZUFB-MRVPVSSYSA-N 1 2 257.280 2.358 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ncn(C)n1 ZINC000275802441 525532257 /nfs/dbraw/zinc/53/22/57/525532257.db2.gz YNGJADDUCWSGBN-IUCAKERBSA-N 1 2 264.304 2.072 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000372817388 526345519 /nfs/dbraw/zinc/34/55/19/526345519.db2.gz ZFVIUTIADAUHGM-VIFPVBQESA-N 1 2 296.733 2.223 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000372817388 526345525 /nfs/dbraw/zinc/34/55/25/526345525.db2.gz ZFVIUTIADAUHGM-VIFPVBQESA-N 1 2 296.733 2.223 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCn2cncc2C1 ZINC000840947303 628831202 /nfs/dbraw/zinc/83/12/02/628831202.db2.gz UUCGYRFPIKWDTH-UHFFFAOYSA-N 1 2 270.380 2.273 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCn2cncc2C1 ZINC000840947303 628831205 /nfs/dbraw/zinc/83/12/05/628831205.db2.gz UUCGYRFPIKWDTH-UHFFFAOYSA-N 1 2 270.380 2.273 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1ncc[nH]1 ZINC000894586908 629546349 /nfs/dbraw/zinc/54/63/49/629546349.db2.gz LURLURZDQBGYFL-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1ncc[nH]1 ZINC000894586908 629546352 /nfs/dbraw/zinc/54/63/52/629546352.db2.gz LURLURZDQBGYFL-UHFFFAOYSA-N 1 2 258.369 2.416 20 10 CECDLO CCc1cccc(CNc2cc(CO)cc[nH+]2)c1O ZINC000895038560 629809091 /nfs/dbraw/zinc/80/90/91/629809091.db2.gz UMSMSUYDWODUQS-UHFFFAOYSA-N 1 2 258.321 2.454 20 10 CECDLO CN(C)c1ccc(C[NH2+]Cc2nc(C(F)F)no2)cc1 ZINC000895729397 630318858 /nfs/dbraw/zinc/31/88/58/630318858.db2.gz ORFUGNRHSHGXCT-UHFFFAOYSA-N 1 2 282.294 2.363 20 10 CECDLO OC[C@H](C[C@H]1CCCO1)[NH2+]Cc1cccc(Cl)c1O ZINC000895747914 630323604 /nfs/dbraw/zinc/32/36/04/630323604.db2.gz JIYRVDLMPJOPAD-NWDGAFQWSA-N 1 2 285.771 2.065 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CCCn3nncc3C2)c(Cl)c1 ZINC000895757899 630333696 /nfs/dbraw/zinc/33/36/96/630333696.db2.gz XVZAEKZPQQUNDX-UHFFFAOYSA-N 1 2 292.770 2.351 20 10 CECDLO CO[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000895969575 630422622 /nfs/dbraw/zinc/42/26/22/630422622.db2.gz NZDZYJNGWCNPDK-KRWDZBQOSA-N 1 2 290.407 2.482 20 10 CECDLO CO[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000895969575 630422624 /nfs/dbraw/zinc/42/26/24/630422624.db2.gz NZDZYJNGWCNPDK-KRWDZBQOSA-N 1 2 290.407 2.482 20 10 CECDLO Oc1cccc(F)c1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000896636490 630620443 /nfs/dbraw/zinc/62/04/43/630620443.db2.gz DIWKUYKHRASDIA-RYUDHWBXSA-N 1 2 264.344 2.248 20 10 CECDLO Oc1cccc(F)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000896636490 630620450 /nfs/dbraw/zinc/62/04/50/630620450.db2.gz DIWKUYKHRASDIA-RYUDHWBXSA-N 1 2 264.344 2.248 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897821191 631930147 /nfs/dbraw/zinc/93/01/47/631930147.db2.gz DSKROURFOUGPLI-SPWWOFFBSA-N 1 2 283.730 2.450 20 10 CECDLO Cc1cc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)ccc1N(C)C ZINC000815100071 632958828 /nfs/dbraw/zinc/95/88/28/632958828.db2.gz BXDAEJGITCJHQE-KBPBESRZSA-N 1 2 294.464 2.402 20 10 CECDLO CN1CCC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000042412598 633975120 /nfs/dbraw/zinc/97/51/20/633975120.db2.gz XOJTUUBHFDOJAB-NSHDSACASA-N 1 2 299.212 2.339 20 10 CECDLO CN1CC(C[N@H+](C)Cc2cccc(Br)c2O)C1 ZINC000827125838 636225884 /nfs/dbraw/zinc/22/58/84/636225884.db2.gz SAJHILQFQNNLAZ-UHFFFAOYSA-N 1 2 299.212 2.148 20 10 CECDLO CN1CC(C[N@@H+](C)Cc2cccc(Br)c2O)C1 ZINC000827125838 636225895 /nfs/dbraw/zinc/22/58/95/636225895.db2.gz SAJHILQFQNNLAZ-UHFFFAOYSA-N 1 2 299.212 2.148 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000876693962 650403376 /nfs/dbraw/zinc/40/33/76/650403376.db2.gz LPOBFSMHFMXALC-LLVKDONJSA-N 1 2 294.305 2.099 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000876693962 650403378 /nfs/dbraw/zinc/40/33/78/650403378.db2.gz LPOBFSMHFMXALC-LLVKDONJSA-N 1 2 294.305 2.099 20 10 CECDLO C[C@H](CC[NH2+]Cc1cccc(Cl)c1O)[S@@](C)=O ZINC000165398936 639429043 /nfs/dbraw/zinc/42/90/43/639429043.db2.gz RCAGFZMYYCJWME-XLFHBGCDSA-N 1 2 275.801 2.292 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000841089510 639653153 /nfs/dbraw/zinc/65/31/53/639653153.db2.gz HTAKUYNIWVCDGU-NSHDSACASA-N 1 2 272.751 2.416 20 10 CECDLO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(F)cc(F)c1O ZINC000841760685 639860214 /nfs/dbraw/zinc/86/02/14/639860214.db2.gz XWIDFNQFFVVEPU-JPVBRFOXSA-N 1 2 257.280 2.234 20 10 CECDLO CN(C(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(N)cc1 ZINC000877074318 650560070 /nfs/dbraw/zinc/56/00/70/650560070.db2.gz GUKGLVHLWQPPOT-UHFFFAOYSA-N 1 2 284.363 2.007 20 10 CECDLO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877180541 650613488 /nfs/dbraw/zinc/61/34/88/650613488.db2.gz ZEWLRNZZGMWVGP-ZDUSSCGKSA-N 1 2 284.350 2.442 20 10 CECDLO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877180541 650613493 /nfs/dbraw/zinc/61/34/93/650613493.db2.gz ZEWLRNZZGMWVGP-ZDUSSCGKSA-N 1 2 284.350 2.442 20 10 CECDLO CN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CC[NH2+]C1 ZINC000071309270 641737548 /nfs/dbraw/zinc/73/75/48/641737548.db2.gz OBBLGLLRFLHIFP-SNVBAGLBSA-N 1 2 275.179 2.493 20 10 CECDLO Oc1c(C[NH2+][C@@H]2CCn3ccnc32)ccc(F)c1F ZINC000877556753 650786572 /nfs/dbraw/zinc/78/65/72/650786572.db2.gz JDPMVVGKTSOURK-SNVBAGLBSA-N 1 2 265.263 2.102 20 10 CECDLO COc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877703023 650859587 /nfs/dbraw/zinc/85/95/87/650859587.db2.gz OULAUTKPQRWMCL-UHFFFAOYSA-N 1 2 256.305 2.312 20 10 CECDLO COc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877703023 650859591 /nfs/dbraw/zinc/85/95/91/650859591.db2.gz OULAUTKPQRWMCL-UHFFFAOYSA-N 1 2 256.305 2.312 20 10 CECDLO COc1cc(C)cc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000754731402 644422591 /nfs/dbraw/zinc/42/25/91/644422591.db2.gz ALTBIIKUQAPYJQ-ZBUHCNDUSA-N 1 2 297.420 2.051 20 10 CECDLO COc1cc(C)cc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000754731402 644422592 /nfs/dbraw/zinc/42/25/92/644422592.db2.gz ALTBIIKUQAPYJQ-ZBUHCNDUSA-N 1 2 297.420 2.051 20 10 CECDLO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)cc(F)c1O ZINC000756735938 644688644 /nfs/dbraw/zinc/68/86/44/644688644.db2.gz JHKXQDRYNJWPEL-WCBMZHEXSA-N 1 2 296.317 2.084 20 10 CECDLO CC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cccc(Cl)c1O ZINC000858494171 645180959 /nfs/dbraw/zinc/18/09/59/645180959.db2.gz FIIBALDYUBPKLV-KBVBSXBZSA-N 1 2 282.771 2.350 20 10 CECDLO CC[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cccc(Cl)c1O ZINC000858523507 645190776 /nfs/dbraw/zinc/19/07/76/645190776.db2.gz RDGDGSBVOZDQSB-BXUZGUMPSA-N 1 2 298.814 2.417 20 10 CECDLO COc1cc(Cl)cc(C[N@H+](C)Cc2cc[nH]n2)c1O ZINC000761199770 645256233 /nfs/dbraw/zinc/25/62/33/645256233.db2.gz RTWVLUCJOCARTA-UHFFFAOYSA-N 1 2 281.743 2.409 20 10 CECDLO COc1cc(Cl)cc(C[N@@H+](C)Cc2cc[nH]n2)c1O ZINC000761199770 645256236 /nfs/dbraw/zinc/25/62/36/645256236.db2.gz RTWVLUCJOCARTA-UHFFFAOYSA-N 1 2 281.743 2.409 20 10 CECDLO Cn1c[nH+]c2c1CCN(Cc1c(O)cccc1Cl)C2 ZINC000772598460 646647938 /nfs/dbraw/zinc/64/79/38/646647938.db2.gz CNOQYDYSKCYSPN-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO CN1CCC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000776041400 647019049 /nfs/dbraw/zinc/01/90/49/647019049.db2.gz LEDLEHZEMWOONC-NSHDSACASA-N 1 2 272.751 2.369 20 10 CECDLO OC[C@@H](CC1CC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776252374 647042451 /nfs/dbraw/zinc/04/24/51/647042451.db2.gz SJDLYBVLQFLADX-LLVKDONJSA-N 1 2 273.735 2.435 20 10 CECDLO CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000779190734 647295611 /nfs/dbraw/zinc/29/56/11/647295611.db2.gz GVRYDSKRUQBOKO-MNOVXSKESA-N 1 2 273.735 2.434 20 10 CECDLO COCCOC1C[NH+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000779431905 647323700 /nfs/dbraw/zinc/32/37/00/647323700.db2.gz HKWBOEAERZZPRM-UHFFFAOYSA-N 1 2 285.771 2.201 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783727289 647752347 /nfs/dbraw/zinc/75/23/47/647752347.db2.gz AMJUMKZJLNNDQE-AWEZNQCLSA-N 1 2 289.423 2.195 20 10 CECDLO CCN(CC)c1ccc(C[N@H+]2CC(=O)N(C)C[C@@H]2C)cc1 ZINC000783727289 647752350 /nfs/dbraw/zinc/75/23/50/647752350.db2.gz AMJUMKZJLNNDQE-AWEZNQCLSA-N 1 2 289.423 2.195 20 10 CECDLO CCn1ncnc1C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000785634272 647942031 /nfs/dbraw/zinc/94/20/31/647942031.db2.gz YXAWACJNMFNMBS-UHFFFAOYSA-N 1 2 287.411 2.386 20 10 CECDLO CCn1ncnc1C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000785634272 647942036 /nfs/dbraw/zinc/94/20/36/647942036.db2.gz YXAWACJNMFNMBS-UHFFFAOYSA-N 1 2 287.411 2.386 20 10 CECDLO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000788270777 648167928 /nfs/dbraw/zinc/16/79/28/648167928.db2.gz RURAHZQUSDUWCY-GMSGAONNSA-N 1 2 259.708 2.140 20 10 CECDLO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000788270777 648167930 /nfs/dbraw/zinc/16/79/30/648167930.db2.gz RURAHZQUSDUWCY-GMSGAONNSA-N 1 2 259.708 2.140 20 10 CECDLO CC1(C)C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000790936316 648462062 /nfs/dbraw/zinc/46/20/62/648462062.db2.gz AVLMNIXORDGIKD-NSHDSACASA-N 1 2 273.735 2.387 20 10 CECDLO CC1(C)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@H]1O ZINC000790936316 648462064 /nfs/dbraw/zinc/46/20/64/648462064.db2.gz AVLMNIXORDGIKD-NSHDSACASA-N 1 2 273.735 2.387 20 10 CECDLO Cc1nonc1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000872135288 649288522 /nfs/dbraw/zinc/28/85/22/649288522.db2.gz DPVABCHPSMXRPR-ZCFIWIBFSA-N 1 2 269.251 2.213 20 10 CECDLO CN1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000124730113 649731238 /nfs/dbraw/zinc/73/12/38/649731238.db2.gz QNQXMLGTJSJOQT-NSHDSACASA-N 1 2 254.761 2.229 20 10 CECDLO CCOC(=O)[C@H](CC)[NH2+][C@@H](C)c1ccccc1O ZINC000879651095 651335702 /nfs/dbraw/zinc/33/57/02/651335702.db2.gz HVPRPEQDYVEUCG-JQWIXIFHSA-N 1 2 251.326 2.385 20 10 CECDLO CCN(CC)[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000882885932 652249117 /nfs/dbraw/zinc/24/91/17/652249117.db2.gz UXNPXCRXIMTCJY-SNVBAGLBSA-N 1 2 272.339 2.490 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nnc2n1CCC2 ZINC000882886531 652250223 /nfs/dbraw/zinc/25/02/23/652250223.db2.gz YTSWFEYOKCHQNW-MRVPVSSYSA-N 1 2 294.305 2.059 20 10 CECDLO CCN1CC[C@H]1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000883355819 652440164 /nfs/dbraw/zinc/44/01/64/652440164.db2.gz YMHBIUJUFSLHBA-KOLCDFICSA-N 1 2 270.323 2.415 20 10 CECDLO CCN1CC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000712606705 814756590 /nfs/dbraw/zinc/75/65/90/814756590.db2.gz NTHQHPNNLDXQLH-NSHDSACASA-N 1 2 299.212 2.339 20 10 CECDLO CN(C)C1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000397799888 803824086 /nfs/dbraw/zinc/82/40/86/803824086.db2.gz BNTFJLZCCANHKF-UHFFFAOYSA-N 1 2 254.761 2.229 20 10 CECDLO OCCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715721999 814987949 /nfs/dbraw/zinc/98/79/49/814987949.db2.gz QORJWYILESWVRK-UHFFFAOYSA-N 1 2 292.148 2.156 20 10 CECDLO [NH3+][C@]12C[C@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001236016651 807922847 /nfs/dbraw/zinc/92/28/47/807922847.db2.gz PLTWOEGZINIKIW-UFBFGSQYSA-N 1 2 273.163 2.232 20 10 CECDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237799701 808258334 /nfs/dbraw/zinc/25/83/34/808258334.db2.gz SVSIADBVMUVYKO-MRVPVSSYSA-N 1 2 287.718 2.180 20 10 CECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2O)C1 ZINC001237799701 808258341 /nfs/dbraw/zinc/25/83/41/808258341.db2.gz SVSIADBVMUVYKO-MRVPVSSYSA-N 1 2 287.718 2.180 20 10 CECDLO C[C@](O)(C[NH2+]Cc1ccc(F)c(F)c1O)C(F)(F)F ZINC000703255102 809637718 /nfs/dbraw/zinc/63/77/18/809637718.db2.gz AEASTKOHIVFRGW-JTQLQIEISA-N 1 2 285.212 2.073 20 10 CECDLO C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000703445839 809651048 /nfs/dbraw/zinc/65/10/48/809651048.db2.gz COMXKQNIRFSLPM-ZDUSSCGKSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000703445839 809651052 /nfs/dbraw/zinc/65/10/52/809651052.db2.gz COMXKQNIRFSLPM-ZDUSSCGKSA-N 1 2 282.334 2.196 20 10 CECDLO C[NH+](C)[C@H]1CCCN(Cc2ccc(F)c(F)c2O)C1 ZINC000703519347 809653738 /nfs/dbraw/zinc/65/37/38/809653738.db2.gz VKFQDOFQZRHYBN-NSHDSACASA-N 1 2 270.323 2.196 20 10 CECDLO CC(C)[C@@H](CO)C[NH2+]Cc1cccc(Cl)c1O ZINC000394070620 813336252 /nfs/dbraw/zinc/33/62/52/813336252.db2.gz JUJUVUXKSLGLHV-LLVKDONJSA-N 1 2 257.761 2.400 20 10 CECDLO CN(C)C1(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000397947569 813648955 /nfs/dbraw/zinc/64/89/55/813648955.db2.gz UQWBIUKXYJPEBK-UHFFFAOYSA-N 1 2 299.212 2.339 20 10 CECDLO Oc1cc(O)c(C[N@@H+]2CC[C@@H](CF)C(F)(F)C2)c(O)c1 ZINC001144499819 814089817 /nfs/dbraw/zinc/08/98/17/814089817.db2.gz JZDUNGKXTAXIAT-QMMMGPOBSA-N 1 2 291.269 2.230 20 10 CECDLO Oc1cc(O)c(C[N@H+]2CC[C@@H](CF)C(F)(F)C2)c(O)c1 ZINC001144499819 814089825 /nfs/dbraw/zinc/08/98/25/814089825.db2.gz JZDUNGKXTAXIAT-QMMMGPOBSA-N 1 2 291.269 2.230 20 10 CECDLO CCN1CC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000712596100 814756163 /nfs/dbraw/zinc/75/61/63/814756163.db2.gz SQYXZMMRRZXMNU-LLVKDONJSA-N 1 2 254.761 2.229 20 10 CECDLO Oc1cccc(F)c1C[NH+]1CCN(c2nccs2)CC1 ZINC001137831961 815690796 /nfs/dbraw/zinc/69/07/96/815690796.db2.gz UUDXUOYHRZPOMX-UHFFFAOYSA-N 1 2 293.367 2.310 20 10 CECDLO C[N@@H+]1CC[C@@]2(CCN(Cc3c(O)cccc3F)C2)C1 ZINC001137840131 815694183 /nfs/dbraw/zinc/69/41/83/815694183.db2.gz RUXIHIPDOYJVIA-OAHLLOKOSA-N 1 2 264.344 2.059 20 10 CECDLO C[N@H+]1CC[C@@]2(CCN(Cc3c(O)cccc3F)C2)C1 ZINC001137840131 815694191 /nfs/dbraw/zinc/69/41/91/815694191.db2.gz RUXIHIPDOYJVIA-OAHLLOKOSA-N 1 2 264.344 2.059 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCc2ccncc2C1 ZINC001137839066 815695154 /nfs/dbraw/zinc/69/51/54/815695154.db2.gz PZEMEGFQQOAQPK-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCc2ccncc2C1 ZINC001137839066 815695162 /nfs/dbraw/zinc/69/51/62/815695162.db2.gz PZEMEGFQQOAQPK-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCCCC12COC2 ZINC001138127415 815733473 /nfs/dbraw/zinc/73/34/73/815733473.db2.gz AGSLNXWJHIJIHX-UHFFFAOYSA-N 1 2 251.301 2.286 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCCCC12COC2 ZINC001138127415 815733478 /nfs/dbraw/zinc/73/34/78/815733478.db2.gz AGSLNXWJHIJIHX-UHFFFAOYSA-N 1 2 251.301 2.286 20 10 CECDLO COC(=O)C[N@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138257871 815755817 /nfs/dbraw/zinc/75/58/17/815755817.db2.gz AZXCGUDRDIFLMS-UHFFFAOYSA-N 1 2 260.337 2.092 20 10 CECDLO COC(=O)C[N@@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138257871 815755820 /nfs/dbraw/zinc/75/58/20/815755820.db2.gz AZXCGUDRDIFLMS-UHFFFAOYSA-N 1 2 260.337 2.092 20 10 CECDLO Cc1c[nH+]ccc1N(c1ccc(N)cc1)S(C)(=O)=O ZINC001174539609 816027345 /nfs/dbraw/zinc/02/73/45/816027345.db2.gz MZKAUGBPECRZHF-UHFFFAOYSA-N 1 2 277.349 2.070 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001140583646 816293379 /nfs/dbraw/zinc/29/33/79/816293379.db2.gz PPXWASKVZNRJLI-CQSZACIVSA-N 1 2 269.291 2.425 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001140583646 816293380 /nfs/dbraw/zinc/29/33/80/816293380.db2.gz PPXWASKVZNRJLI-CQSZACIVSA-N 1 2 269.291 2.425 20 10 CECDLO C[N@@H+]1CCC[C@H]2CN(Cc3c(O)cc(F)cc3F)C[C@H]21 ZINC001140585257 816295275 /nfs/dbraw/zinc/29/52/75/816295275.db2.gz BUMAKRPKSAXAAI-IINYFYTJSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1CCC[C@H]2CN(Cc3c(O)cc(F)cc3F)C[C@H]21 ZINC001140585257 816295280 /nfs/dbraw/zinc/29/52/80/816295280.db2.gz BUMAKRPKSAXAAI-IINYFYTJSA-N 1 2 282.334 2.196 20 10 CECDLO CC[N@H+](CC(=O)OC(C)(C)C)Cc1cc(O)ccc1O ZINC001141161839 816492430 /nfs/dbraw/zinc/49/24/30/816492430.db2.gz ZXFAWKUNYRWKHO-UHFFFAOYSA-N 1 2 281.352 2.261 20 10 CECDLO CC[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(O)ccc1O ZINC001141161839 816492431 /nfs/dbraw/zinc/49/24/31/816492431.db2.gz ZXFAWKUNYRWKHO-UHFFFAOYSA-N 1 2 281.352 2.261 20 10 CECDLO CC(=O)C1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142524674 816678803 /nfs/dbraw/zinc/67/88/03/816678803.db2.gz GESNGUXLCKXILD-UHFFFAOYSA-N 1 2 269.291 2.471 20 10 CECDLO C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(F)c(F)c1O ZINC000276969777 299314162 /nfs/dbraw/zinc/31/41/62/299314162.db2.gz UBDMWVIXOLRKBY-IUCAKERBSA-N 1 2 258.312 2.271 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000160247850 366986012 /nfs/dbraw/zinc/98/60/12/366986012.db2.gz BHUKWSKFUJVWCW-CYBMUJFWSA-N 1 2 264.344 2.201 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000160247850 366986021 /nfs/dbraw/zinc/98/60/21/366986021.db2.gz BHUKWSKFUJVWCW-CYBMUJFWSA-N 1 2 264.344 2.201 20 10 CECDLO NC(=O)C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180560779 368386574 /nfs/dbraw/zinc/38/65/74/368386574.db2.gz AYJSFKNXHOEVAR-SNVBAGLBSA-N 1 2 282.771 2.133 20 10 CECDLO NC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180560779 368386581 /nfs/dbraw/zinc/38/65/81/368386581.db2.gz AYJSFKNXHOEVAR-SNVBAGLBSA-N 1 2 282.771 2.133 20 10 CECDLO CS[C@H](CO)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000224857329 370282183 /nfs/dbraw/zinc/28/21/83/370282183.db2.gz YIZRZCDUJWIREW-GZMMTYOYSA-N 1 2 275.801 2.248 20 10 CECDLO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000362049179 372187247 /nfs/dbraw/zinc/18/72/47/372187247.db2.gz ZOGVVEIRLXQTAN-GFCCVEGCSA-N 1 2 275.308 2.121 20 10 CECDLO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000362049179 372187252 /nfs/dbraw/zinc/18/72/52/372187252.db2.gz ZOGVVEIRLXQTAN-GFCCVEGCSA-N 1 2 275.308 2.121 20 10 CECDLO OC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000271834968 373204246 /nfs/dbraw/zinc/20/42/46/373204246.db2.gz RRNZVPPHPUBCJH-JTQLQIEISA-N 1 2 255.745 2.250 20 10 CECDLO OC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271834968 373204265 /nfs/dbraw/zinc/20/42/65/373204265.db2.gz RRNZVPPHPUBCJH-JTQLQIEISA-N 1 2 255.745 2.250 20 10 CECDLO OC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000271834969 373204788 /nfs/dbraw/zinc/20/47/88/373204788.db2.gz RRNZVPPHPUBCJH-SNVBAGLBSA-N 1 2 255.745 2.250 20 10 CECDLO OC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271834969 373204790 /nfs/dbraw/zinc/20/47/90/373204790.db2.gz RRNZVPPHPUBCJH-SNVBAGLBSA-N 1 2 255.745 2.250 20 10 CECDLO C[N@H+](Cc1ncnn1C(C)(C)C)Cc1ccccc1O ZINC000282974748 375628909 /nfs/dbraw/zinc/62/89/09/375628909.db2.gz DBAFMXHMOJHVOZ-UHFFFAOYSA-N 1 2 274.368 2.371 20 10 CECDLO C[N@@H+](Cc1ncnn1C(C)(C)C)Cc1ccccc1O ZINC000282974748 375628914 /nfs/dbraw/zinc/62/89/14/375628914.db2.gz DBAFMXHMOJHVOZ-UHFFFAOYSA-N 1 2 274.368 2.371 20 10 CECDLO CC[C@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(F)cc1O ZINC000287375823 376218321 /nfs/dbraw/zinc/21/83/21/376218321.db2.gz HZGHJHJULFOYJD-CABZTGNLSA-N 1 2 278.331 2.462 20 10 CECDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nncn1C ZINC000293570470 377634887 /nfs/dbraw/zinc/63/48/87/377634887.db2.gz IYQFRNROGRKGDU-ZETCQYMHSA-N 1 2 284.722 2.164 20 10 CECDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000294815682 378020485 /nfs/dbraw/zinc/02/04/85/378020485.db2.gz FOCZXZPLDWCAQA-LLVKDONJSA-N 1 2 286.734 2.025 20 10 CECDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000294815682 378020489 /nfs/dbraw/zinc/02/04/89/378020489.db2.gz FOCZXZPLDWCAQA-LLVKDONJSA-N 1 2 286.734 2.025 20 10 CECDLO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294816413 378020804 /nfs/dbraw/zinc/02/08/04/378020804.db2.gz XDMVTSQNSFNMEW-RYUDHWBXSA-N 1 2 273.735 2.434 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2c1cccc2F ZINC000492772608 380683836 /nfs/dbraw/zinc/68/38/36/380683836.db2.gz UFRFYYPWYBTPKH-SNAWJCMRSA-N 1 2 257.268 2.151 20 10 CECDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1cccc(OC)c1 ZINC000492814929 380698832 /nfs/dbraw/zinc/69/88/32/380698832.db2.gz VQMOVHFCJPOJKY-FPLPWBNLSA-N 1 2 271.320 2.485 20 10 CECDLO CCOC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000121625231 394802308 /nfs/dbraw/zinc/80/23/08/394802308.db2.gz MLSZNRSFELYWKY-UHFFFAOYSA-N 1 2 276.380 2.280 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000121625231 394802310 /nfs/dbraw/zinc/80/23/10/394802310.db2.gz MLSZNRSFELYWKY-UHFFFAOYSA-N 1 2 276.380 2.280 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCCn1cccn1 ZINC000135753987 394967912 /nfs/dbraw/zinc/96/79/12/394967912.db2.gz DMSUGSABDFTZDJ-UHFFFAOYSA-N 1 2 265.744 2.422 20 10 CECDLO CCOCC[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179669460 261808211 /nfs/dbraw/zinc/80/82/11/261808211.db2.gz JMVCXXOUVCKLOO-UHFFFAOYSA-N 1 2 298.814 2.200 20 10 CECDLO CCOCCN1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179669460 261808212 /nfs/dbraw/zinc/80/82/12/261808212.db2.gz JMVCXXOUVCKLOO-UHFFFAOYSA-N 1 2 298.814 2.200 20 10 CECDLO C[C@H]([NH2+]CC(F)(F)CO)c1ccc(N(C)C)cc1 ZINC000184691039 262026156 /nfs/dbraw/zinc/02/61/56/262026156.db2.gz VESFMYXIBNZSGO-JTQLQIEISA-N 1 2 258.312 2.031 20 10 CECDLO Cc1cc(Cl)cc(C[NH2+]CC(F)(F)CO)c1O ZINC000185661242 262065237 /nfs/dbraw/zinc/06/52/37/262065237.db2.gz OPTXYKHELZJZPN-UHFFFAOYSA-N 1 2 265.687 2.071 20 10 CECDLO C/C=C/C[C@@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000186531279 262097016 /nfs/dbraw/zinc/09/70/16/262097016.db2.gz HYYQSGDZRPLOFS-VUDBWIFFSA-N 1 2 255.745 2.462 20 10 CECDLO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000276916214 263038610 /nfs/dbraw/zinc/03/86/10/263038610.db2.gz LRQWYRVTDLAYJQ-RKDXNWHRSA-N 1 2 257.280 2.358 20 10 CECDLO C[C@H](CCCO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187755827 327859795 /nfs/dbraw/zinc/85/97/95/327859795.db2.gz JMFKMDVSEZACOI-BDAKNGLRSA-N 1 2 259.296 2.482 20 10 CECDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1nncn1C ZINC000124800351 329574301 /nfs/dbraw/zinc/57/43/01/329574301.db2.gz HFBXRDXDEXYOCW-MRVPVSSYSA-N 1 2 266.732 2.025 20 10 CECDLO CCn1ncc(C[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000529638574 333502785 /nfs/dbraw/zinc/50/27/85/333502785.db2.gz LADBVXDZMMLDSS-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO Cc1c[nH+]ccc1NC(=O)NCc1ccc2c(c1)CCN2C ZINC000363741671 526017448 /nfs/dbraw/zinc/01/74/48/526017448.db2.gz KRQKZZHYIJROOS-UHFFFAOYSA-N 1 2 296.374 2.126 20 10 CECDLO NC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000157148925 526971199 /nfs/dbraw/zinc/97/11/99/526971199.db2.gz ZAPPRWWUAOZYCG-SSDOTTSWSA-N 1 2 289.162 2.006 20 10 CECDLO NC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000157148925 526971205 /nfs/dbraw/zinc/97/12/05/526971205.db2.gz ZAPPRWWUAOZYCG-SSDOTTSWSA-N 1 2 289.162 2.006 20 10 CECDLO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)C1=CC(=O)CS1 ZINC000732267218 574616478 /nfs/dbraw/zinc/61/64/78/574616478.db2.gz DBQOTSABPOALGA-UHFFFAOYSA-N 1 2 286.316 2.287 20 10 CECDLO COc1ccc2c(c1)CCC[N@H+]2CC[C@@H]1CCOC1=O ZINC000753843384 575345179 /nfs/dbraw/zinc/34/51/79/575345179.db2.gz SWGOSTXEAUUYFD-GFCCVEGCSA-N 1 2 275.348 2.401 20 10 CECDLO COc1ccc2c(c1)CCC[N@@H+]2CC[C@@H]1CCOC1=O ZINC000753843384 575345181 /nfs/dbraw/zinc/34/51/81/575345181.db2.gz SWGOSTXEAUUYFD-GFCCVEGCSA-N 1 2 275.348 2.401 20 10 CECDLO C[N@H+](CCCCCO)Cc1cc(F)cc(F)c1O ZINC000894592937 629552825 /nfs/dbraw/zinc/55/28/25/629552825.db2.gz MBQACUXYLBXEKW-UHFFFAOYSA-N 1 2 259.296 2.265 20 10 CECDLO C[N@@H+](CCCCCO)Cc1cc(F)cc(F)c1O ZINC000894592937 629552831 /nfs/dbraw/zinc/55/28/31/629552831.db2.gz MBQACUXYLBXEKW-UHFFFAOYSA-N 1 2 259.296 2.265 20 10 CECDLO COc1cc(O)c(C[NH+]2CC(OC(C)C)C2)cc1OC ZINC000895955913 630418284 /nfs/dbraw/zinc/41/82/84/630418284.db2.gz YDMXQCWKGHVADL-UHFFFAOYSA-N 1 2 281.352 2.019 20 10 CECDLO CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cccc(Cl)c1O ZINC000806143751 631719616 /nfs/dbraw/zinc/71/96/16/631719616.db2.gz OSPOTDMEKGAECI-GZMMTYOYSA-N 1 2 270.760 2.350 20 10 CECDLO CCc1cccc(C[NH2+]C2(c3nc(C)no3)CC2)c1O ZINC000897895949 631965932 /nfs/dbraw/zinc/96/59/32/631965932.db2.gz KUHKKAJUGYQDAX-UHFFFAOYSA-N 1 2 273.336 2.425 20 10 CECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(F)F)c1 ZINC000815644095 633042952 /nfs/dbraw/zinc/04/29/52/633042952.db2.gz SENPXQPFOSXLOW-MRVPVSSYSA-N 1 2 273.279 2.485 20 10 CECDLO COCC1([NH2+]Cc2cccc(Cl)c2O)CCOCC1 ZINC000816626131 633452514 /nfs/dbraw/zinc/45/25/14/633452514.db2.gz WJKGYWQDWLOZKR-UHFFFAOYSA-N 1 2 285.771 2.331 20 10 CECDLO C[NH2+]CCN[C@@H](C)c1cc(Br)cc(F)c1O ZINC000817952115 633796011 /nfs/dbraw/zinc/79/60/11/633796011.db2.gz NKLHHLCPHCCGOV-ZETCQYMHSA-N 1 2 291.164 2.164 20 10 CECDLO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1cc(F)cc(F)c1O ZINC000903301537 635049226 /nfs/dbraw/zinc/04/92/26/635049226.db2.gz RGXXCPKLGSMFBO-IGJMFERPSA-N 1 2 270.323 2.414 20 10 CECDLO O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000824214467 635376866 /nfs/dbraw/zinc/37/68/66/635376866.db2.gz YOHUNTXPRBAXMY-GHMZBOCLSA-N 1 2 291.738 2.189 20 10 CECDLO O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000824214467 635376870 /nfs/dbraw/zinc/37/68/70/635376870.db2.gz YOHUNTXPRBAXMY-GHMZBOCLSA-N 1 2 291.738 2.189 20 10 CECDLO COc1cccc(C[NH2+][C@H](C(=O)OC(C)C)C(C)C)c1O ZINC000824847144 635510757 /nfs/dbraw/zinc/51/07/57/635510757.db2.gz WPUBGQULDVDMRA-AWEZNQCLSA-N 1 2 295.379 2.467 20 10 CECDLO CCc1nc(C[NH2+]Cc2c(O)cccc2OC)co1 ZINC000825049893 635550105 /nfs/dbraw/zinc/55/01/05/635550105.db2.gz FHSFAAGXRXRKCN-UHFFFAOYSA-N 1 2 262.309 2.241 20 10 CECDLO Cc1cc(O)c(C[NH2+][C@@H](C)c2ncn(C)n2)cc1Cl ZINC000825621140 635677998 /nfs/dbraw/zinc/67/79/98/635677998.db2.gz JOVKVGKOSNRUIY-VIFPVBQESA-N 1 2 280.759 2.333 20 10 CECDLO CO[C@@H](C[NH2+]Cc1cccc(Cl)c1O)[C@H]1CCOC1 ZINC000826822059 635855131 /nfs/dbraw/zinc/85/51/31/635855131.db2.gz JXMQPMCWEFKCIF-AAEUAGOBSA-N 1 2 285.771 2.187 20 10 CECDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1O ZINC000827959840 636470804 /nfs/dbraw/zinc/47/08/04/636470804.db2.gz GJGYJQCABRGYIL-MVWJERBFSA-N 1 2 271.320 2.096 20 10 CECDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1O ZINC000827959840 636470806 /nfs/dbraw/zinc/47/08/06/636470806.db2.gz GJGYJQCABRGYIL-MVWJERBFSA-N 1 2 271.320 2.096 20 10 CECDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1O ZINC000827964878 636473530 /nfs/dbraw/zinc/47/35/30/636473530.db2.gz YQDZUWMQQVCRIO-CYZMBNFOSA-N 1 2 285.347 2.107 20 10 CECDLO COCCN1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840910941 639583171 /nfs/dbraw/zinc/58/31/71/639583171.db2.gz XWUZIRKNQBLQDF-UHFFFAOYSA-N 1 2 298.814 2.118 20 10 CECDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@@H](CF)C2)cc1 ZINC000840955448 639600488 /nfs/dbraw/zinc/60/04/88/639600488.db2.gz VCWDLTBVKCQLCJ-CWDCEQMOSA-N 1 2 278.371 2.436 20 10 CECDLO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@@H](CF)C2)cc1 ZINC000840955448 639600489 /nfs/dbraw/zinc/60/04/89/639600489.db2.gz VCWDLTBVKCQLCJ-CWDCEQMOSA-N 1 2 278.371 2.436 20 10 CECDLO C[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000134899439 642116886 /nfs/dbraw/zinc/11/68/86/642116886.db2.gz YUYZSWHBMHJHRX-RNFRBKRXSA-N 1 2 292.148 2.325 20 10 CECDLO CC[C@@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816552075 642159611 /nfs/dbraw/zinc/15/96/11/642159611.db2.gz ABWJHWYLIVLELQ-VIFPVBQESA-N 1 2 261.724 2.435 20 10 CECDLO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2Cc2ccccc2O)c1 ZINC000848951422 642201504 /nfs/dbraw/zinc/20/15/04/642201504.db2.gz ULEOHWDHKKLTMN-QGZVFWFLSA-N 1 2 296.370 2.374 20 10 CECDLO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2Cc2ccccc2O)c1 ZINC000848951422 642201509 /nfs/dbraw/zinc/20/15/09/642201509.db2.gz ULEOHWDHKKLTMN-QGZVFWFLSA-N 1 2 296.370 2.374 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000877597729 650807996 /nfs/dbraw/zinc/80/79/96/650807996.db2.gz WPXPBCBLKIAKPV-LLVKDONJSA-N 1 2 294.305 2.099 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000877597729 650807999 /nfs/dbraw/zinc/80/79/99/650807999.db2.gz WPXPBCBLKIAKPV-LLVKDONJSA-N 1 2 294.305 2.099 20 10 CECDLO Cn1cnc(CC[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000839146955 644158229 /nfs/dbraw/zinc/15/82/29/644158229.db2.gz BJOZBDTWMNOLCD-UHFFFAOYSA-N 1 2 283.734 2.251 20 10 CECDLO CCOC1C[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000839130766 644168418 /nfs/dbraw/zinc/16/84/18/644168418.db2.gz GPNVDPBOQDWRBK-AATRIKPKSA-N 1 2 260.381 2.487 20 10 CECDLO COc1cc(C)cc(C[NH2+]C(C)(C)c2noc(C)n2)c1O ZINC000754727156 644421003 /nfs/dbraw/zinc/42/10/03/644421003.db2.gz QEWFOZUXUPOZHH-UHFFFAOYSA-N 1 2 291.351 2.426 20 10 CECDLO CC[C@H](O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756657202 644679840 /nfs/dbraw/zinc/67/98/40/644679840.db2.gz BGPXOWIDUJLTRN-SCZZXKLOSA-N 1 2 259.296 2.482 20 10 CECDLO COCCOC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756732550 644687330 /nfs/dbraw/zinc/68/73/30/644687330.db2.gz JCGCIAWPGMKELQ-VHSXEESVSA-N 1 2 289.322 2.373 20 10 CECDLO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000761222466 645259683 /nfs/dbraw/zinc/25/96/83/645259683.db2.gz JCJPYBZWUSGKCB-OLZOCXBDSA-N 1 2 285.771 2.329 20 10 CECDLO OC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775634046 646974086 /nfs/dbraw/zinc/97/40/86/646974086.db2.gz NZKFMDLVPZTAMB-VIFPVBQESA-N 1 2 273.735 2.389 20 10 CECDLO OC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775634046 646974088 /nfs/dbraw/zinc/97/40/88/646974088.db2.gz NZKFMDLVPZTAMB-VIFPVBQESA-N 1 2 273.735 2.389 20 10 CECDLO C[C@@H]1CN(Cc2cccc(F)c2O)[C@@H](C)C[N@@H+]1C ZINC000775985481 647013652 /nfs/dbraw/zinc/01/36/52/647013652.db2.gz LRNNQKJFXGFKBJ-MNOVXSKESA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1CN(Cc2cccc(F)c2O)[C@@H](C)C[N@H+]1C ZINC000775985481 647013657 /nfs/dbraw/zinc/01/36/57/647013657.db2.gz LRNNQKJFXGFKBJ-MNOVXSKESA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)[C@@H](C)CN1C ZINC000775985481 647013659 /nfs/dbraw/zinc/01/36/59/647013659.db2.gz LRNNQKJFXGFKBJ-MNOVXSKESA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)[C@@H](C)CN1C ZINC000775985481 647013661 /nfs/dbraw/zinc/01/36/61/647013661.db2.gz LRNNQKJFXGFKBJ-MNOVXSKESA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000776252891 647042795 /nfs/dbraw/zinc/04/27/95/647042795.db2.gz RHMXJGBWJZPJPK-GFCCVEGCSA-N 1 2 259.708 2.453 20 10 CECDLO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000776727555 647085295 /nfs/dbraw/zinc/08/52/95/647085295.db2.gz ZRVUSZJEQOARTB-POHAHGRESA-N 1 2 280.374 2.230 20 10 CECDLO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc(F)cc(F)c1O ZINC000779069761 647285449 /nfs/dbraw/zinc/28/54/49/647285449.db2.gz ZKYJHDHTSRKMJW-ZETCQYMHSA-N 1 2 296.273 2.213 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000779192977 647296151 /nfs/dbraw/zinc/29/61/51/647296151.db2.gz RIQHPPHZSRGXBC-NSHDSACASA-N 1 2 295.745 2.486 20 10 CECDLO CCn1cnnc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790948930 648462999 /nfs/dbraw/zinc/46/29/99/648462999.db2.gz JZJGHVUNGCPGAP-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(N(C)C)cc1 ZINC000793855638 648805976 /nfs/dbraw/zinc/80/59/76/648805976.db2.gz KXKDHYHAYLDWNB-GFCCVEGCSA-N 1 2 286.379 2.286 20 10 CECDLO C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(N(C)C)cc1 ZINC000793855638 648805979 /nfs/dbraw/zinc/80/59/79/648805979.db2.gz KXKDHYHAYLDWNB-GFCCVEGCSA-N 1 2 286.379 2.286 20 10 CECDLO COc1ccc(C[NH2+]Cc2ccon2)cc1Cn1cccn1 ZINC000873069776 649551043 /nfs/dbraw/zinc/55/10/43/649551043.db2.gz NQRTUUBJFLNIDQ-UHFFFAOYSA-N 1 2 298.346 2.218 20 10 CECDLO CC(C)NC(=O)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000124519590 649669165 /nfs/dbraw/zinc/66/91/65/649669165.db2.gz KBIZGGLOWPTNRT-UHFFFAOYSA-N 1 2 270.760 2.002 20 10 CECDLO CC(C)NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000124519590 649669167 /nfs/dbraw/zinc/66/91/67/649669167.db2.gz KBIZGGLOWPTNRT-UHFFFAOYSA-N 1 2 270.760 2.002 20 10 CECDLO Cn1ccc(C[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000124865354 649752429 /nfs/dbraw/zinc/75/24/29/649752429.db2.gz HPBVOLIWSOGSTB-UHFFFAOYSA-N 1 2 251.717 2.069 20 10 CECDLO CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000882905162 652264384 /nfs/dbraw/zinc/26/43/84/652264384.db2.gz VGJXIGYTRBENES-ZDUSSCGKSA-N 1 2 270.323 2.100 20 10 CECDLO C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CN1C1CC1 ZINC000883034212 652336808 /nfs/dbraw/zinc/33/68/08/652336808.db2.gz ODQGWYBMIXXTFQ-CABZTGNLSA-N 1 2 282.334 2.385 20 10 CECDLO Oc1c(CN2CC[C@H]([NH+]3CCCC3)C2)ccc(F)c1F ZINC000703448341 809650510 /nfs/dbraw/zinc/65/05/10/809650510.db2.gz SGOVPOGFAZVXJJ-LBPRGKRZSA-N 1 2 282.334 2.341 20 10 CECDLO Cc1ncc(C[NH2+]Cc2cccc(Cl)c2O)n1C ZINC000689199767 811949534 /nfs/dbraw/zinc/94/95/34/811949534.db2.gz UTFAPWQUSOVAOZ-UHFFFAOYSA-N 1 2 265.744 2.377 20 10 CECDLO C[C@@H]([NH2+]Cc1csnn1)c1ccc(N(C)C)cc1 ZINC000398248940 813665441 /nfs/dbraw/zinc/66/54/41/813665441.db2.gz UYNNSACMBKRDST-SNVBAGLBSA-N 1 2 262.382 2.455 20 10 CECDLO CCC[NH+]1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139684371 814751564 /nfs/dbraw/zinc/75/15/64/814751564.db2.gz SZMSDMLLCVHMNL-UHFFFAOYSA-N 1 2 270.323 2.198 20 10 CECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCCC1=O ZINC001137832015 815690428 /nfs/dbraw/zinc/69/04/28/815690428.db2.gz XBFLLEUTIRLWGD-SNVBAGLBSA-N 1 2 251.301 2.332 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCCC1=O ZINC001137832015 815690433 /nfs/dbraw/zinc/69/04/33/815690433.db2.gz XBFLLEUTIRLWGD-SNVBAGLBSA-N 1 2 251.301 2.332 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001138128494 815732965 /nfs/dbraw/zinc/73/29/65/815732965.db2.gz NTXRNPOSFGKAEF-HNNXBMFYSA-N 1 2 288.322 2.500 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001138128494 815732968 /nfs/dbraw/zinc/73/29/68/815732968.db2.gz NTXRNPOSFGKAEF-HNNXBMFYSA-N 1 2 288.322 2.500 20 10 CECDLO Cc1ncc(C[N@@H+](C)Cc2cccc(F)c2O)cn1 ZINC001138129556 815735158 /nfs/dbraw/zinc/73/51/58/815735158.db2.gz KBUNJGIBSPQWCH-UHFFFAOYSA-N 1 2 261.300 2.262 20 10 CECDLO Cc1ncc(C[N@H+](C)Cc2cccc(F)c2O)cn1 ZINC001138129556 815735162 /nfs/dbraw/zinc/73/51/62/815735162.db2.gz KBUNJGIBSPQWCH-UHFFFAOYSA-N 1 2 261.300 2.262 20 10 CECDLO CC[N@@H+]1CCN(Cc2c(F)ccc(F)c2O)[C@H](C)C1 ZINC001139689597 816085971 /nfs/dbraw/zinc/08/59/71/816085971.db2.gz IEKMITUEFAJNTE-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO CC[N@H+]1CCN(Cc2c(F)ccc(F)c2O)[C@H](C)C1 ZINC001139689597 816085977 /nfs/dbraw/zinc/08/59/77/816085977.db2.gz IEKMITUEFAJNTE-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO Oc1cc(F)cc(F)c1CN1CC[NH+](C2CCC2)CC1 ZINC001140583014 816290276 /nfs/dbraw/zinc/29/02/76/816290276.db2.gz SZAPLKFLSZNHNA-UHFFFAOYSA-N 1 2 282.334 2.341 20 10 CECDLO Cc1nc(CC[N@@H+](C)Cc2c(O)cc(F)cc2F)no1 ZINC001140582983 816291895 /nfs/dbraw/zinc/29/18/95/816291895.db2.gz RUCMMVBICLHFPZ-UHFFFAOYSA-N 1 2 283.278 2.036 20 10 CECDLO Cc1nc(CC[N@H+](C)Cc2c(O)cc(F)cc2F)no1 ZINC001140582983 816291902 /nfs/dbraw/zinc/29/19/02/816291902.db2.gz RUCMMVBICLHFPZ-UHFFFAOYSA-N 1 2 283.278 2.036 20 10 CECDLO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583840 816293723 /nfs/dbraw/zinc/29/37/23/816293723.db2.gz VQZQXCVOLYTZCY-VHSXEESVSA-N 1 2 299.317 2.301 20 10 CECDLO COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583840 816293730 /nfs/dbraw/zinc/29/37/30/816293730.db2.gz VQZQXCVOLYTZCY-VHSXEESVSA-N 1 2 299.317 2.301 20 10 CECDLO CC[N@@H+]1CCN(Cc2c(O)cc(F)cc2F)[C@H](C)C1 ZINC001140584904 816295026 /nfs/dbraw/zinc/29/50/26/816295026.db2.gz JEPFLZOEENSWPC-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO CC[N@H+]1CCN(Cc2c(O)cc(F)cc2F)[C@H](C)C1 ZINC001140584904 816295032 /nfs/dbraw/zinc/29/50/32/816295032.db2.gz JEPFLZOEENSWPC-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO C[C@H]1CC(=O)CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141141034 816485979 /nfs/dbraw/zinc/48/59/79/816485979.db2.gz SJAUMBWITDKKHE-LBPRGKRZSA-N 1 2 274.364 2.069 20 10 CECDLO C[C@H]1CC(=O)CC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141141034 816485982 /nfs/dbraw/zinc/48/59/82/816485982.db2.gz SJAUMBWITDKKHE-LBPRGKRZSA-N 1 2 274.364 2.069 20 10 CECDLO CCNC(=O)C[N@H+](CC)Cc1cccc(Cl)c1O ZINC000124518448 365654010 /nfs/dbraw/zinc/65/40/10/365654010.db2.gz QIFZSJUSTAKUIE-UHFFFAOYSA-N 1 2 270.760 2.004 20 10 CECDLO CCNC(=O)C[N@@H+](CC)Cc1cccc(Cl)c1O ZINC000124518448 365654015 /nfs/dbraw/zinc/65/40/15/365654015.db2.gz QIFZSJUSTAKUIE-UHFFFAOYSA-N 1 2 270.760 2.004 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1nncn1C ZINC000276896663 299344917 /nfs/dbraw/zinc/34/49/17/299344917.db2.gz INBQECQIBGRBQX-YUMQZZPRSA-N 1 2 282.294 2.211 20 10 CECDLO Cc1cc(C[N@H+](C)Cc2cc(F)ccc2O)no1 ZINC000179938915 368360338 /nfs/dbraw/zinc/36/03/38/368360338.db2.gz MILJNYZDINAXQL-UHFFFAOYSA-N 1 2 250.273 2.460 20 10 CECDLO CCC[N@H+](CC(=O)OCC)Cc1cc(F)ccc1O ZINC000179969994 368361886 /nfs/dbraw/zinc/36/18/86/368361886.db2.gz NTNGKASOYQMGOC-UHFFFAOYSA-N 1 2 269.316 2.306 20 10 CECDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(F)ccc1O ZINC000179969994 368361890 /nfs/dbraw/zinc/36/18/90/368361890.db2.gz NTNGKASOYQMGOC-UHFFFAOYSA-N 1 2 269.316 2.306 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000180699440 368393499 /nfs/dbraw/zinc/39/34/99/368393499.db2.gz PYEWFWNPFRIYOA-UHFFFAOYSA-N 1 2 297.782 2.427 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000180699440 368393503 /nfs/dbraw/zinc/39/35/03/368393503.db2.gz PYEWFWNPFRIYOA-UHFFFAOYSA-N 1 2 297.782 2.427 20 10 CECDLO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000187672418 296121251 /nfs/dbraw/zinc/12/12/51/296121251.db2.gz ZYVFZLDZFVDHQH-SECBINFHSA-N 1 2 286.322 2.189 20 10 CECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](C)CC ZINC000187865018 369239332 /nfs/dbraw/zinc/23/93/32/369239332.db2.gz KZSYQQLQFCSVTC-ABAIWWIYSA-N 1 2 295.379 2.468 20 10 CECDLO Cc1cc(C)c([C@@H](C)[NH2+]CC(F)(F)CO)c(O)c1 ZINC000285087015 375835936 /nfs/dbraw/zinc/83/59/36/375835936.db2.gz JUTUEDLYOJXLQN-SNVBAGLBSA-N 1 2 259.296 2.287 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000294817464 378021439 /nfs/dbraw/zinc/02/14/39/378021439.db2.gz FTCVICPDDGTZBH-SECBINFHSA-N 1 2 259.708 2.141 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000294817464 378021442 /nfs/dbraw/zinc/02/14/42/378021442.db2.gz FTCVICPDDGTZBH-SECBINFHSA-N 1 2 259.708 2.141 20 10 CECDLO COC[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1O)OC ZINC000227705626 394473395 /nfs/dbraw/zinc/47/33/95/394473395.db2.gz CDRBQPASLUWAAE-SNVBAGLBSA-N 1 2 294.178 2.450 20 10 CECDLO CC[C@@H]([NH2+]CC(F)(F)CO)c1ccc(C)cc1O ZINC000280128253 394845897 /nfs/dbraw/zinc/84/58/97/394845897.db2.gz OSPUVZKGLDUSOF-LLVKDONJSA-N 1 2 259.296 2.369 20 10 CECDLO CSC[C@](C)(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000182430940 395242680 /nfs/dbraw/zinc/24/26/80/395242680.db2.gz ZIGNBQKRYJNYIT-GFCCVEGCSA-N 1 2 275.801 2.249 20 10 CECDLO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187762176 395305320 /nfs/dbraw/zinc/30/53/20/395305320.db2.gz BDOQAQKOLXGGRJ-DTWKUNHWSA-N 1 2 259.296 2.482 20 10 CECDLO OCC(F)(F)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000183866611 395265889 /nfs/dbraw/zinc/26/58/89/395265889.db2.gz CJTACWFIOYEXQV-UHFFFAOYSA-N 1 2 284.350 2.394 20 10 CECDLO CCN(C)c1ccc([C@H](C)[NH2+]CC(F)(F)CO)cc1 ZINC000184693585 262025495 /nfs/dbraw/zinc/02/54/95/262025495.db2.gz OAHSBNADKUJCNH-NSHDSACASA-N 1 2 272.339 2.421 20 10 CECDLO CO[C@H]1Cc2ccccc2N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493494617 262178974 /nfs/dbraw/zinc/17/89/74/262178974.db2.gz UMHLHFVZOBFAJP-AFNCTOJWSA-N 1 2 283.331 2.027 20 10 CECDLO COc1cc(OC)cc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493671612 262228920 /nfs/dbraw/zinc/22/89/20/262228920.db2.gz BMXHIHAXLSUWNS-PLNGDYQASA-N 1 2 287.319 2.103 20 10 CECDLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1cc(F)ccc1O ZINC000186412701 329342208 /nfs/dbraw/zinc/34/22/08/329342208.db2.gz BMIJAMJPPRRHIC-GFCCVEGCSA-N 1 2 269.316 2.209 20 10 CECDLO CCCC[C@@H]([NH2+]Cc1ccccc1O)C(=O)OC ZINC000083385013 330357440 /nfs/dbraw/zinc/35/74/40/330357440.db2.gz SQVRWILOESUVHA-GFCCVEGCSA-N 1 2 251.326 2.214 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2c1cc(F)cc2F ZINC000492772127 332412948 /nfs/dbraw/zinc/41/29/48/332412948.db2.gz SOZBFTQORLSMCM-OWOJBTEDSA-N 1 2 275.258 2.290 20 10 CECDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1cccc(F)c1O ZINC000279498230 522835545 /nfs/dbraw/zinc/83/55/45/522835545.db2.gz VSQXMIGZDHGTIJ-UHFFFAOYSA-N 1 2 296.386 2.074 20 10 CECDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1cccc(F)c1O ZINC000279498230 522835553 /nfs/dbraw/zinc/83/55/53/522835553.db2.gz VSQXMIGZDHGTIJ-UHFFFAOYSA-N 1 2 296.386 2.074 20 10 CECDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(N(C)C)cc2)no1 ZINC000264383138 526664094 /nfs/dbraw/zinc/66/40/94/526664094.db2.gz KRHDRQPVHSSMQR-UHFFFAOYSA-N 1 2 274.368 2.469 20 10 CECDLO O=C1NC(=S)S/C1=C/c1c[nH+]c2ccc(Cl)cn12 ZINC000737444948 574834586 /nfs/dbraw/zinc/83/45/86/574834586.db2.gz WCZDPWRYMZUCSP-FPYGCLRLSA-N 1 2 295.776 2.477 20 10 CECDLO O=C1NCC2(CC[NH+](Cc3cccc(Cl)c3O)CC2)O1 ZINC000783721529 627697513 /nfs/dbraw/zinc/69/75/13/627697513.db2.gz COHCQKDIVLCVFI-UHFFFAOYSA-N 1 2 296.754 2.120 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CCN(CC(C)C)C(=O)C2)cc1C ZINC000190100486 628325462 /nfs/dbraw/zinc/32/54/62/628325462.db2.gz DXAGCXZLBNLROW-UHFFFAOYSA-N 1 2 290.407 2.309 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CCN(CC(C)C)C(=O)C2)cc1C ZINC000190100486 628325466 /nfs/dbraw/zinc/32/54/66/628325466.db2.gz DXAGCXZLBNLROW-UHFFFAOYSA-N 1 2 290.407 2.309 20 10 CECDLO C[C@@H](O)CCC[NH2+]Cc1cccc(Br)c1O ZINC000227958388 628919523 /nfs/dbraw/zinc/91/95/23/628919523.db2.gz OCDFVZVZWCJQNV-SECBINFHSA-N 1 2 288.185 2.405 20 10 CECDLO Cn1cc(C[N@H+](C)Cc2cc(F)cc(F)c2O)cn1 ZINC000893909688 629042158 /nfs/dbraw/zinc/04/21/58/629042158.db2.gz RXONZCWGMQLAMU-UHFFFAOYSA-N 1 2 267.279 2.036 20 10 CECDLO Cn1cc(C[N@@H+](C)Cc2cc(F)cc(F)c2O)cn1 ZINC000893909688 629042162 /nfs/dbraw/zinc/04/21/62/629042162.db2.gz RXONZCWGMQLAMU-UHFFFAOYSA-N 1 2 267.279 2.036 20 10 CECDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1cc(Cl)ccc1O ZINC000895113739 629913825 /nfs/dbraw/zinc/91/38/25/629913825.db2.gz KDCPPPUASINNGI-AEJSXWLSSA-N 1 2 282.771 2.143 20 10 CECDLO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1Cc1cc(Cl)ccc1O ZINC000895113739 629913827 /nfs/dbraw/zinc/91/38/27/629913827.db2.gz KDCPPPUASINNGI-AEJSXWLSSA-N 1 2 282.771 2.143 20 10 CECDLO CC1=NO[C@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000895306199 630092186 /nfs/dbraw/zinc/09/21/86/630092186.db2.gz AVGIYVIQRPPAHY-JTQLQIEISA-N 1 2 254.717 2.300 20 10 CECDLO CCOc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)OC)c(O)c1 ZINC000895590749 630267836 /nfs/dbraw/zinc/26/78/36/630267836.db2.gz KVUXWZWOQNVTSN-AWEZNQCLSA-N 1 2 295.379 2.468 20 10 CECDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895591591 630268625 /nfs/dbraw/zinc/26/86/25/630268625.db2.gz BSTSTVGEDXMMDD-ZDUSSCGKSA-N 1 2 295.379 2.387 20 10 CECDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](C)O ZINC000824920867 635525354 /nfs/dbraw/zinc/52/53/54/635525354.db2.gz ADRZYUWHBNIKJF-RDDDGLTNSA-N 1 2 261.724 2.434 20 10 CECDLO CCC[C@@H]([NH2+]Cc1c(C)cccc1O)C(=O)OC ZINC000897834248 631937316 /nfs/dbraw/zinc/93/73/16/631937316.db2.gz KSNKHGBCFBBSPI-GFCCVEGCSA-N 1 2 251.326 2.132 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cc1Cl ZINC000898187329 632101231 /nfs/dbraw/zinc/10/12/31/632101231.db2.gz FFVNTXIVCLNDAZ-RYUDHWBXSA-N 1 2 273.735 2.259 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CC[C@H](O)[C@@H](F)C2)cc1Cl ZINC000898187329 632101235 /nfs/dbraw/zinc/10/12/35/632101235.db2.gz FFVNTXIVCLNDAZ-RYUDHWBXSA-N 1 2 273.735 2.259 20 10 CECDLO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C)[C@H](C)C2)c1O ZINC000110727314 632247268 /nfs/dbraw/zinc/24/72/68/632247268.db2.gz VZILWMSSDDRPBI-SNVBAGLBSA-N 1 2 296.798 2.384 20 10 CECDLO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C)[C@H](C)C2)c1O ZINC000110727314 632247276 /nfs/dbraw/zinc/24/72/76/632247276.db2.gz VZILWMSSDDRPBI-SNVBAGLBSA-N 1 2 296.798 2.384 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cc[nH]n1 ZINC000816531918 633408749 /nfs/dbraw/zinc/40/87/49/633408749.db2.gz KNWHCWWFJLPAPP-UHFFFAOYSA-N 1 2 255.680 2.198 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000816574450 633416112 /nfs/dbraw/zinc/41/61/12/633416112.db2.gz ICMKLEVMFKYMCG-JTQLQIEISA-N 1 2 296.733 2.223 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000816574450 633416115 /nfs/dbraw/zinc/41/61/15/633416115.db2.gz ICMKLEVMFKYMCG-JTQLQIEISA-N 1 2 296.733 2.223 20 10 CECDLO Cc1cc(CNC(=O)NCc2ccccc2O)cc(C)[nH+]1 ZINC000817171078 633594639 /nfs/dbraw/zinc/59/46/39/633594639.db2.gz QXHIRBSYALQLIQ-UHFFFAOYSA-N 1 2 285.347 2.403 20 10 CECDLO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)C[C@@H](CO)O1 ZINC000817413147 633651869 /nfs/dbraw/zinc/65/18/69/633651869.db2.gz UTVDXHXAEJKVQW-JTQLQIEISA-N 1 2 285.771 2.017 20 10 CECDLO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H](CO)O1 ZINC000817413147 633651875 /nfs/dbraw/zinc/65/18/75/633651875.db2.gz UTVDXHXAEJKVQW-JTQLQIEISA-N 1 2 285.771 2.017 20 10 CECDLO CON1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000817589107 633702759 /nfs/dbraw/zinc/70/27/59/633702759.db2.gz UGZYEIAUOFHYII-SECBINFHSA-N 1 2 286.322 2.347 20 10 CECDLO COC(=O)N1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824602268 635461645 /nfs/dbraw/zinc/46/16/45/635461645.db2.gz SSTAPMSUSAZAQZ-UHFFFAOYSA-N 1 2 298.770 2.238 20 10 CECDLO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000824708922 635482096 /nfs/dbraw/zinc/48/20/96/635482096.db2.gz LHLNRNMUPVCHRA-ZWNOBZJWSA-N 1 2 285.771 2.187 20 10 CECDLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000825197185 635590238 /nfs/dbraw/zinc/59/02/38/635590238.db2.gz UMJPJHODVAIGIY-VXGBXAGGSA-N 1 2 289.734 2.078 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+]2CCc3nn[nH]c3C2)cc1 ZINC000827885353 636452484 /nfs/dbraw/zinc/45/24/84/636452484.db2.gz YDJBMZFDFFIUON-UHFFFAOYSA-N 1 2 285.395 2.209 20 10 CECDLO CCN(CC)c1ccc(C[N@H+]2CCc3nn[nH]c3C2)cc1 ZINC000827885353 636452490 /nfs/dbraw/zinc/45/24/90/636452490.db2.gz YDJBMZFDFFIUON-UHFFFAOYSA-N 1 2 285.395 2.209 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCOCCF ZINC000827949926 636468409 /nfs/dbraw/zinc/46/84/09/636468409.db2.gz PTUKTSMMAULXSM-UHFFFAOYSA-N 1 2 265.687 2.260 20 10 CECDLO CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@@H](C)O ZINC000834888406 637978952 /nfs/dbraw/zinc/97/89/52/637978952.db2.gz OUJUKAOTNFMWRC-SXMVTHIZSA-N 1 2 259.296 2.480 20 10 CECDLO COC(=O)[C@H](CC1CC1)[NH2+]Cc1cccc(C)c1O ZINC000840957011 639601133 /nfs/dbraw/zinc/60/11/33/639601133.db2.gz GVGWAAYTHKSYNY-ZDUSSCGKSA-N 1 2 263.337 2.132 20 10 CECDLO CCOc1ccc(C[NH2+][C@@H](CC2CC2)C(=O)OC)c(O)c1 ZINC000840958775 639601246 /nfs/dbraw/zinc/60/12/46/639601246.db2.gz SDMFBLDZBKEVFH-AWEZNQCLSA-N 1 2 293.363 2.222 20 10 CECDLO COC(=O)[C@@H](CC1CC1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000840959115 639601593 /nfs/dbraw/zinc/60/15/93/639601593.db2.gz UEPMPWLJHPZCGU-CQSZACIVSA-N 1 2 277.364 2.440 20 10 CECDLO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000228938877 639665517 /nfs/dbraw/zinc/66/55/17/639665517.db2.gz IXNAETFYOJTDNK-VIFPVBQESA-N 1 2 270.760 2.048 20 10 CECDLO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877145759 650593898 /nfs/dbraw/zinc/59/38/98/650593898.db2.gz BVWUZNQZRTXMMO-IUCAKERBSA-N 1 2 286.322 2.063 20 10 CECDLO CN(Cc1cc(Cl)cc(Cl)c1O)C1C[NH2+]C1 ZINC000085256935 642397537 /nfs/dbraw/zinc/39/75/37/642397537.db2.gz SRGOGFYQNLBVLH-UHFFFAOYSA-N 1 2 261.152 2.103 20 10 CECDLO CC(C)([NH2+]Cc1ccc(F)c(F)c1O)C(=O)N1CCCC1 ZINC000877493627 650749215 /nfs/dbraw/zinc/74/92/15/650749215.db2.gz MZILZFXBECXGHF-UHFFFAOYSA-N 1 2 298.333 2.161 20 10 CECDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000109771622 642924758 /nfs/dbraw/zinc/92/47/58/642924758.db2.gz AHJYQNUMLBGNME-UHFFFAOYSA-N 1 2 251.326 2.166 20 10 CECDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000109771622 642924761 /nfs/dbraw/zinc/92/47/61/642924761.db2.gz AHJYQNUMLBGNME-UHFFFAOYSA-N 1 2 251.326 2.166 20 10 CECDLO Cc1cccc(O)c1C[NH+]1CC(OC(=O)NC(C)C)C1 ZINC000877582440 650800120 /nfs/dbraw/zinc/80/01/20/650800120.db2.gz WAKSCEZGLPMGHC-UHFFFAOYSA-N 1 2 278.352 2.019 20 10 CECDLO C[C@@H](O)C[N@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000877621856 650817777 /nfs/dbraw/zinc/81/77/77/650817777.db2.gz XSXKGIAGSMJQIC-MRVPVSSYSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@@H](O)C[N@@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000877621856 650817783 /nfs/dbraw/zinc/81/77/83/650817783.db2.gz XSXKGIAGSMJQIC-MRVPVSSYSA-N 1 2 257.280 2.016 20 10 CECDLO OC[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000923007738 643507512 /nfs/dbraw/zinc/50/75/12/643507512.db2.gz NLJQCDWAGCHOMT-CZMCAQCFSA-N 1 2 286.169 2.015 20 10 CECDLO C[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(F)cc(F)c1O ZINC000756478041 644652272 /nfs/dbraw/zinc/65/22/72/644652272.db2.gz DNOWMIXLYZJVEZ-VIFPVBQESA-N 1 2 286.322 2.189 20 10 CECDLO C[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(F)cc(F)c1O ZINC000756533450 644659689 /nfs/dbraw/zinc/65/96/89/644659689.db2.gz HUBOOKDLNXWMJN-IUCAKERBSA-N 1 2 258.312 2.271 20 10 CECDLO COc1c(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058643 646920891 /nfs/dbraw/zinc/92/08/91/646920891.db2.gz VUYPUEZRLUGKGT-KOLCDFICSA-N 1 2 298.314 2.489 20 10 CECDLO COc1c(O)c(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058643 646920892 /nfs/dbraw/zinc/92/08/92/646920892.db2.gz VUYPUEZRLUGKGT-KOLCDFICSA-N 1 2 298.314 2.489 20 10 CECDLO COC1(CO)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775206984 646930022 /nfs/dbraw/zinc/93/00/22/646930022.db2.gz ZLTLHXWRVMOYQS-UHFFFAOYSA-N 1 2 285.771 2.019 20 10 CECDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1ccccc1O ZINC000864423132 646997747 /nfs/dbraw/zinc/99/77/47/646997747.db2.gz AIAFELICPOQROZ-VXGBXAGGSA-N 1 2 288.351 2.038 20 10 CECDLO COC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000784668565 647873959 /nfs/dbraw/zinc/87/39/59/647873959.db2.gz QLZGUCKJTKYALC-OCCSQVGLSA-N 1 2 296.386 2.127 20 10 CECDLO COC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000784668565 647873963 /nfs/dbraw/zinc/87/39/63/647873963.db2.gz QLZGUCKJTKYALC-OCCSQVGLSA-N 1 2 296.386 2.127 20 10 CECDLO Cc1nnc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000785807104 647958922 /nfs/dbraw/zinc/95/89/22/647958922.db2.gz YRGAKDYOXVJEIQ-JTQLQIEISA-N 1 2 260.341 2.295 20 10 CECDLO C[C@H]1CCCN1CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000883022610 652329069 /nfs/dbraw/zinc/32/90/69/652329069.db2.gz ZQGOYPWGCYFSLW-JTQLQIEISA-N 1 2 270.323 2.244 20 10 CECDLO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142534809 806623593 /nfs/dbraw/zinc/62/35/93/806623593.db2.gz XQGXQQRMKTVIAN-LBPRGKRZSA-N 1 2 255.264 2.224 20 10 CECDLO CC(=O)[C@@H]1CCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142534809 806623601 /nfs/dbraw/zinc/62/36/01/806623601.db2.gz XQGXQQRMKTVIAN-LBPRGKRZSA-N 1 2 255.264 2.224 20 10 CECDLO Cc1c(O)ccc(C[N@@H+]2Cc3cccnc3C2)c1O ZINC001140741800 803511793 /nfs/dbraw/zinc/51/17/93/803511793.db2.gz CFKLSYPINMVEHF-UHFFFAOYSA-N 1 2 256.305 2.317 20 10 CECDLO Cc1c(O)ccc(C[N@H+]2Cc3cccnc3C2)c1O ZINC001140741800 803511794 /nfs/dbraw/zinc/51/17/94/803511794.db2.gz CFKLSYPINMVEHF-UHFFFAOYSA-N 1 2 256.305 2.317 20 10 CECDLO C[C@@H](O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743339 814989441 /nfs/dbraw/zinc/98/94/41/814989441.db2.gz AECGHFXLKCCYBC-SSDOTTSWSA-N 1 2 292.148 2.154 20 10 CECDLO Cc1cc(Cl)cc(C[N@@H+](C)Cc2cn(C)nn2)c1O ZINC000827304779 813024054 /nfs/dbraw/zinc/02/40/54/813024054.db2.gz DPMPRAPOJDZERS-UHFFFAOYSA-N 1 2 280.759 2.115 20 10 CECDLO Cc1cc(Cl)cc(C[N@H+](C)Cc2cn(C)nn2)c1O ZINC000827304779 813024059 /nfs/dbraw/zinc/02/40/59/813024059.db2.gz DPMPRAPOJDZERS-UHFFFAOYSA-N 1 2 280.759 2.115 20 10 CECDLO Nc1cc(NCc2cc(Br)ccc2O)[nH+]cn1 ZINC001160019175 813718259 /nfs/dbraw/zinc/71/82/59/813718259.db2.gz AEXWPBAIXAYXAP-UHFFFAOYSA-N 1 2 295.140 2.139 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCc2ncccc2C1 ZINC001137837595 815693489 /nfs/dbraw/zinc/69/34/89/815693489.db2.gz MWQQUMZALDBHEY-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCc2ncccc2C1 ZINC001137837595 815693491 /nfs/dbraw/zinc/69/34/91/815693491.db2.gz MWQQUMZALDBHEY-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001137839208 815693893 /nfs/dbraw/zinc/69/38/93/815693893.db2.gz WKVYFBVIRPHEBK-MRXNPFEDSA-N 1 2 288.322 2.500 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001137839208 815693901 /nfs/dbraw/zinc/69/39/01/815693901.db2.gz WKVYFBVIRPHEBK-MRXNPFEDSA-N 1 2 288.322 2.500 20 10 CECDLO CN1CCCc2cc(C[N@@H+]3CCC34COC4)ccc21 ZINC001138358587 815775236 /nfs/dbraw/zinc/77/52/36/815775236.db2.gz VMILHOJBTOSJQL-UHFFFAOYSA-N 1 2 258.365 2.044 20 10 CECDLO CN1CCCc2cc(C[N@H+]3CCC34COC4)ccc21 ZINC001138358587 815775239 /nfs/dbraw/zinc/77/52/39/815775239.db2.gz VMILHOJBTOSJQL-UHFFFAOYSA-N 1 2 258.365 2.044 20 10 CECDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001206236789 816117272 /nfs/dbraw/zinc/11/72/72/816117272.db2.gz CZDRHGQESADLTB-NSHDSACASA-N 1 2 296.239 2.136 20 10 CECDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001206236789 816117277 /nfs/dbraw/zinc/11/72/77/816117277.db2.gz CZDRHGQESADLTB-NSHDSACASA-N 1 2 296.239 2.136 20 10 CECDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3c(O)cccc3Cl)[C@@H]2C1 ZINC001140339792 816238663 /nfs/dbraw/zinc/23/86/63/816238663.db2.gz YKDYHIUEJJVANL-PSOPSSQASA-N 1 2 297.782 2.017 20 10 CECDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3c(O)cccc3Cl)[C@@H]2C1 ZINC001140339792 816238665 /nfs/dbraw/zinc/23/86/65/816238665.db2.gz YKDYHIUEJJVANL-PSOPSSQASA-N 1 2 297.782 2.017 20 10 CECDLO C[NH+](C)C1CCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140579755 816288489 /nfs/dbraw/zinc/28/84/89/816288489.db2.gz DYCOPYNJRFXORF-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO C[N@@H+]1C[C@@H]2CCCN(Cc3c(O)cc(F)cc3F)[C@@H]2C1 ZINC001140583410 816293544 /nfs/dbraw/zinc/29/35/44/816293544.db2.gz FQEPTFNIWRDENK-IINYFYTJSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1C[C@@H]2CCCN(Cc3c(O)cc(F)cc3F)[C@@H]2C1 ZINC001140583410 816293546 /nfs/dbraw/zinc/29/35/46/816293546.db2.gz FQEPTFNIWRDENK-IINYFYTJSA-N 1 2 282.334 2.196 20 10 CECDLO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H](F)C1 ZINC001140660035 816314879 /nfs/dbraw/zinc/31/48/79/816314879.db2.gz CYBZNZVNZPFNHJ-CYBMUJFWSA-N 1 2 282.334 2.206 20 10 CECDLO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](F)C1 ZINC001140660035 816314889 /nfs/dbraw/zinc/31/48/89/816314889.db2.gz CYBZNZVNZPFNHJ-CYBMUJFWSA-N 1 2 282.334 2.206 20 10 CECDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141159960 816491802 /nfs/dbraw/zinc/49/18/02/816491802.db2.gz NILADMYMNQOMLR-ZDUSSCGKSA-N 1 2 279.336 2.015 20 10 CECDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1O ZINC001141159960 816491807 /nfs/dbraw/zinc/49/18/07/816491807.db2.gz NILADMYMNQOMLR-ZDUSSCGKSA-N 1 2 279.336 2.015 20 10 CECDLO CN(C)C1C[NH+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143103618 816786137 /nfs/dbraw/zinc/78/61/37/816786137.db2.gz HLQAECZUOYXFPE-UHFFFAOYSA-N 1 2 262.397 2.436 20 10 CECDLO COC[C@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000180328078 368376280 /nfs/dbraw/zinc/37/62/80/368376280.db2.gz BYOCGPIXDNYVJY-CYBMUJFWSA-N 1 2 285.771 2.201 20 10 CECDLO COC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000180328078 368376285 /nfs/dbraw/zinc/37/62/85/368376285.db2.gz BYOCGPIXDNYVJY-CYBMUJFWSA-N 1 2 285.771 2.201 20 10 CECDLO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(F)c(F)c1O ZINC000187744958 296130804 /nfs/dbraw/zinc/13/08/04/296130804.db2.gz QJKVNZLEHFXMHY-OQPBUACISA-N 1 2 289.347 2.189 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCN1CCSCC1 ZINC000225927707 370326429 /nfs/dbraw/zinc/32/64/29/370326429.db2.gz LXZBMXXRUCTZOU-UHFFFAOYSA-N 1 2 286.828 2.184 20 10 CECDLO C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1cn[nH]c1 ZINC000273532001 296158791 /nfs/dbraw/zinc/15/87/91/296158791.db2.gz WMIBIIURXLJGQY-RKDXNWHRSA-N 1 2 276.296 2.435 20 10 CECDLO OCC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271710923 373197912 /nfs/dbraw/zinc/19/79/12/373197912.db2.gz AVJNGEGIIDCNLS-UHFFFAOYSA-N 1 2 255.745 2.250 20 10 CECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271732875 373200852 /nfs/dbraw/zinc/20/08/52/373200852.db2.gz NOQYLLBNJINMBZ-SNVBAGLBSA-N 1 2 269.728 2.041 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1ncn(C)n1 ZINC000275700223 374217775 /nfs/dbraw/zinc/21/77/75/374217775.db2.gz KPQWOARCLNKIKC-NWDGAFQWSA-N 1 2 273.384 2.293 20 10 CECDLO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294816415 378021600 /nfs/dbraw/zinc/02/16/00/378021600.db2.gz XDMVTSQNSFNMEW-VXGBXAGGSA-N 1 2 273.735 2.434 20 10 CECDLO CCOC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000529666974 380183230 /nfs/dbraw/zinc/18/32/30/380183230.db2.gz PPUIMNOSXXPKIO-GFCCVEGCSA-N 1 2 285.771 2.283 20 10 CECDLO CCOC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000529666974 380183234 /nfs/dbraw/zinc/18/32/34/380183234.db2.gz PPUIMNOSXXPKIO-GFCCVEGCSA-N 1 2 285.771 2.283 20 10 CECDLO CCOC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000529667138 380183725 /nfs/dbraw/zinc/18/37/25/380183725.db2.gz RCOZWSVLHPADEE-LLVKDONJSA-N 1 2 285.771 2.283 20 10 CECDLO CCOC[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000529667138 380183734 /nfs/dbraw/zinc/18/37/34/380183734.db2.gz RCOZWSVLHPADEE-LLVKDONJSA-N 1 2 285.771 2.283 20 10 CECDLO COc1ccc2c(c1)CCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492855987 380709502 /nfs/dbraw/zinc/70/95/02/380709502.db2.gz AXZGYEUAWRPZRC-DJWKRKHSSA-N 1 2 269.304 2.021 20 10 CECDLO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1=O ZINC000276898532 394816365 /nfs/dbraw/zinc/81/63/65/394816365.db2.gz ISWRPQBSDVKHPX-VHSXEESVSA-N 1 2 298.333 2.330 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[S@](=O)C1 ZINC000375950183 395106161 /nfs/dbraw/zinc/10/61/61/395106161.db2.gz ZWZBSUYJWDCDMM-MGNBDDOMSA-N 1 2 287.812 2.246 20 10 CECDLO CC[C@H](c1ccccc1O)[N@@H+]1CCn2nc(C)nc2C1 ZINC000366677778 288167578 /nfs/dbraw/zinc/16/75/78/288167578.db2.gz FYACOIVAOJILKV-CYBMUJFWSA-N 1 2 272.352 2.259 20 10 CECDLO CC[C@H](c1ccccc1O)[N@H+]1CCn2nc(C)nc2C1 ZINC000366677778 288167579 /nfs/dbraw/zinc/16/75/79/288167579.db2.gz FYACOIVAOJILKV-CYBMUJFWSA-N 1 2 272.352 2.259 20 10 CECDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@@](=O)C1 ZINC000277434131 288213856 /nfs/dbraw/zinc/21/38/56/288213856.db2.gz JRAZDKYESPOOOZ-MPBGBICISA-N 1 2 298.427 2.092 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@@](=O)C1 ZINC000277434131 288213858 /nfs/dbraw/zinc/21/38/58/288213858.db2.gz JRAZDKYESPOOOZ-MPBGBICISA-N 1 2 298.427 2.092 20 10 CECDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271039946 288214025 /nfs/dbraw/zinc/21/40/25/288214025.db2.gz MGVZVLWHGOICEW-LLVKDONJSA-N 1 2 252.333 2.112 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000271039946 288214028 /nfs/dbraw/zinc/21/40/28/288214028.db2.gz MGVZVLWHGOICEW-LLVKDONJSA-N 1 2 252.333 2.112 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)C(=O)N1CCCC1 ZINC000281497436 289994355 /nfs/dbraw/zinc/99/43/55/289994355.db2.gz GOQKINUQSVALRK-UWVGGRQHSA-N 1 2 298.333 2.332 20 10 CECDLO CN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(F)c(F)c1 ZINC000492903250 332417919 /nfs/dbraw/zinc/41/79/19/332417919.db2.gz SVHIOMAYOJNTMB-DJWKRKHSSA-N 1 2 263.247 2.364 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1O ZINC000279695168 518277017 /nfs/dbraw/zinc/27/70/17/518277017.db2.gz GKXKKKSHSIEXFD-CYBMUJFWSA-N 1 2 297.782 2.451 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1O ZINC000279695168 518277021 /nfs/dbraw/zinc/27/70/21/518277021.db2.gz GKXKKKSHSIEXFD-CYBMUJFWSA-N 1 2 297.782 2.451 20 10 CECDLO C[C@@H](CO)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000082367476 524775948 /nfs/dbraw/zinc/77/59/48/524775948.db2.gz MEIZGFBQVHLLOC-SSDOTTSWSA-N 1 2 264.152 2.417 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ncnn1C ZINC000276642049 525609618 /nfs/dbraw/zinc/60/96/18/525609618.db2.gz OWOAHINPMHRDGC-DTWKUNHWSA-N 1 2 264.304 2.072 20 10 CECDLO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(F)c(F)c1O ZINC000293378334 525646029 /nfs/dbraw/zinc/64/60/29/525646029.db2.gz IGBWSPNDGRUOPH-SOCHQFKDSA-N 1 2 257.280 2.498 20 10 CECDLO COc1cccc(C[NH2+]C(C)(C)c2noc(C)n2)c1O ZINC000264414130 526009940 /nfs/dbraw/zinc/00/99/40/526009940.db2.gz QXMRNJJZZRIACL-UHFFFAOYSA-N 1 2 277.324 2.117 20 10 CECDLO OCC[N@H+](Cc1cccc(Cl)c1O)C1CCC1 ZINC000276025334 527550501 /nfs/dbraw/zinc/55/05/01/527550501.db2.gz PPBJTNXQNCRNCM-UHFFFAOYSA-N 1 2 255.745 2.392 20 10 CECDLO OCC[N@@H+](Cc1cccc(Cl)c1O)C1CCC1 ZINC000276025334 527550507 /nfs/dbraw/zinc/55/05/07/527550507.db2.gz PPBJTNXQNCRNCM-UHFFFAOYSA-N 1 2 255.745 2.392 20 10 CECDLO OC[C@@]1(F)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000289775470 527600770 /nfs/dbraw/zinc/60/07/70/527600770.db2.gz KWBAMRBJINLMGZ-CYBMUJFWSA-N 1 2 273.735 2.342 20 10 CECDLO OC[C@@]1(F)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000289775470 527600775 /nfs/dbraw/zinc/60/07/75/527600775.db2.gz KWBAMRBJINLMGZ-CYBMUJFWSA-N 1 2 273.735 2.342 20 10 CECDLO C[C@H]([NH2+]CCN1CCCC1)c1cc(F)cc(F)c1O ZINC000756354759 574801939 /nfs/dbraw/zinc/80/19/39/574801939.db2.gz CQWNXVSSVGVAJP-JTQLQIEISA-N 1 2 270.323 2.417 20 10 CECDLO COC1C[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000738233653 574855586 /nfs/dbraw/zinc/85/55/86/574855586.db2.gz LUWJBBSMUCVAHO-UHFFFAOYSA-N 1 2 265.353 2.226 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1nccn1C ZINC000840935885 628753512 /nfs/dbraw/zinc/75/35/12/628753512.db2.gz BRSJSBXCRISFRR-UHFFFAOYSA-N 1 2 272.396 2.427 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1nccn1C ZINC000840935885 628753514 /nfs/dbraw/zinc/75/35/14/628753514.db2.gz BRSJSBXCRISFRR-UHFFFAOYSA-N 1 2 272.396 2.427 20 10 CECDLO Cc1nnc(C[N@@H+](C)Cc2c(C)cccc2O)s1 ZINC000877640552 629209242 /nfs/dbraw/zinc/20/92/42/629209242.db2.gz ABWKNJDXJGFMPD-UHFFFAOYSA-N 1 2 263.366 2.493 20 10 CECDLO Cc1nnc(C[N@H+](C)Cc2c(C)cccc2O)s1 ZINC000877640552 629209245 /nfs/dbraw/zinc/20/92/45/629209245.db2.gz ABWKNJDXJGFMPD-UHFFFAOYSA-N 1 2 263.366 2.493 20 10 CECDLO Cn1ncc2c1CCC[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000894988403 629786490 /nfs/dbraw/zinc/78/64/90/629786490.db2.gz ZYMZFUNZSCYTCV-UHFFFAOYSA-N 1 2 293.317 2.352 20 10 CECDLO Cn1ncc2c1CCC[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000894988403 629786495 /nfs/dbraw/zinc/78/64/95/629786495.db2.gz ZYMZFUNZSCYTCV-UHFFFAOYSA-N 1 2 293.317 2.352 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]Cc1cnn2c1CCC2 ZINC000898215250 632092203 /nfs/dbraw/zinc/09/22/03/632092203.db2.gz KFVBKPMVEKLWID-UHFFFAOYSA-N 1 2 277.755 2.478 20 10 CECDLO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(F)cc(F)c1O ZINC000903286761 635050430 /nfs/dbraw/zinc/05/04/30/635050430.db2.gz NVQQVHMMYPWMNA-FKKNFJPQSA-N 1 2 281.302 2.497 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1CCN1C)c1cc(F)cc(F)c1O ZINC000903319431 635055010 /nfs/dbraw/zinc/05/50/10/635055010.db2.gz ZFEUBZNZJCAFFE-WPRPVWTQSA-N 1 2 256.296 2.025 20 10 CECDLO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cc(F)cc(F)c1O ZINC000903395080 635091400 /nfs/dbraw/zinc/09/14/00/635091400.db2.gz JFYUCULZKFNJLM-YVZVNANGSA-N 1 2 257.280 2.356 20 10 CECDLO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(F)cc(F)c1O ZINC000903390725 635101239 /nfs/dbraw/zinc/10/12/39/635101239.db2.gz HHZQTKMQXLGUDM-YUMQZZPRSA-N 1 2 259.296 2.480 20 10 CECDLO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C(F)F ZINC000824510757 635439537 /nfs/dbraw/zinc/43/95/37/635439537.db2.gz ZQQCQAFUHQSWAX-MRVPVSSYSA-N 1 2 290.266 2.442 20 10 CECDLO CC1(C)C[NH2+]C[C@H]1NCc1cccc(Cl)c1O ZINC000904461110 635644812 /nfs/dbraw/zinc/64/48/12/635644812.db2.gz FHQIZLJCOFBGBH-LLVKDONJSA-N 1 2 254.761 2.133 20 10 CECDLO CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000904461110 635644815 /nfs/dbraw/zinc/64/48/15/635644815.db2.gz FHQIZLJCOFBGBH-LLVKDONJSA-N 1 2 254.761 2.133 20 10 CECDLO O=C1CCC2=C(CC[N@@H+](Cc3cccc(Cl)c3O)C2)N1 ZINC000826785501 635846479 /nfs/dbraw/zinc/84/64/79/635846479.db2.gz VAKJPOGBTGZZBP-UHFFFAOYSA-N 1 2 292.766 2.415 20 10 CECDLO O=C1CCC2=C(CC[N@H+](Cc3cccc(Cl)c3O)C2)N1 ZINC000826785501 635846481 /nfs/dbraw/zinc/84/64/81/635846481.db2.gz VAKJPOGBTGZZBP-UHFFFAOYSA-N 1 2 292.766 2.415 20 10 CECDLO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000827501085 636338420 /nfs/dbraw/zinc/33/84/20/636338420.db2.gz PXOGJVWAKHEKLP-OTSSQURYSA-N 1 2 287.718 2.226 20 10 CECDLO Cc1nnc(C[N@@H+](C)Cc2cccc(C)c2O)s1 ZINC000827806353 636429034 /nfs/dbraw/zinc/42/90/34/636429034.db2.gz RTFUGLUOIDEVCB-UHFFFAOYSA-N 1 2 263.366 2.493 20 10 CECDLO Cc1nnc(C[N@H+](C)Cc2cccc(C)c2O)s1 ZINC000827806353 636429039 /nfs/dbraw/zinc/42/90/39/636429039.db2.gz RTFUGLUOIDEVCB-UHFFFAOYSA-N 1 2 263.366 2.493 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)C1(CO)CCOCC1 ZINC000827909894 636457775 /nfs/dbraw/zinc/45/77/75/636457775.db2.gz YROVOSSFXLOFCI-UHFFFAOYSA-N 1 2 285.771 2.019 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)C1(CO)CCOCC1 ZINC000827909894 636457780 /nfs/dbraw/zinc/45/77/80/636457780.db2.gz YROVOSSFXLOFCI-UHFFFAOYSA-N 1 2 285.771 2.019 20 10 CECDLO C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1O ZINC000827946206 636466323 /nfs/dbraw/zinc/46/63/23/636466323.db2.gz AKKQJODCOYJFJW-NEPJUHHUSA-N 1 2 285.347 2.029 20 10 CECDLO C[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)n1cc[nH+]c1 ZINC000827960492 636471492 /nfs/dbraw/zinc/47/14/92/636471492.db2.gz PWLZQQSKUFKFQT-RYUDHWBXSA-N 1 2 273.336 2.417 20 10 CECDLO Oc1c(CN2CC[NH+](CC3CC3)CC2)ccc(F)c1F ZINC000876610761 650358251 /nfs/dbraw/zinc/35/82/51/650358251.db2.gz HUSIHMOOLCWDTK-UHFFFAOYSA-N 1 2 282.334 2.198 20 10 CECDLO C[C@@H](CC[NH2+]Cc1cccc(Cl)c1O)[S@@](C)=O ZINC000165398824 639429389 /nfs/dbraw/zinc/42/93/89/639429389.db2.gz RCAGFZMYYCJWME-XYZCENFISA-N 1 2 275.801 2.292 20 10 CECDLO CC[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cccc(Cl)c1O ZINC000840837921 639557475 /nfs/dbraw/zinc/55/74/75/639557475.db2.gz LVJWCRFCYQTDBU-SKDRFNHKSA-N 1 2 282.771 2.222 20 10 CECDLO COC[C@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000840917420 639586190 /nfs/dbraw/zinc/58/61/90/639586190.db2.gz KBJUHCWAFMRMBX-LLVKDONJSA-N 1 2 285.771 2.201 20 10 CECDLO COC[C@H]1C[N@@H+](Cc2c(O)cc(C)cc2Cl)CCO1 ZINC000840917420 639586192 /nfs/dbraw/zinc/58/61/92/639586192.db2.gz KBJUHCWAFMRMBX-LLVKDONJSA-N 1 2 285.771 2.201 20 10 CECDLO C[C@@H](CCO)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000846112660 641186683 /nfs/dbraw/zinc/18/66/83/641186683.db2.gz WHQIZLTYCPMQPG-QMMMGPOBSA-N 1 2 261.724 2.387 20 10 CECDLO C[C@@H](CCO)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000846112660 641186690 /nfs/dbraw/zinc/18/66/90/641186690.db2.gz WHQIZLTYCPMQPG-QMMMGPOBSA-N 1 2 261.724 2.387 20 10 CECDLO CC[C@H](CCO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816552074 642159792 /nfs/dbraw/zinc/15/97/92/642159792.db2.gz ABWJHWYLIVLELQ-SECBINFHSA-N 1 2 261.724 2.435 20 10 CECDLO C[C@@H](O)C[N@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000848928968 642199368 /nfs/dbraw/zinc/19/93/68/642199368.db2.gz QNLSPRNSRGQDOT-SECBINFHSA-N 1 2 255.745 2.391 20 10 CECDLO C[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000848928968 642199373 /nfs/dbraw/zinc/19/93/73/642199373.db2.gz QNLSPRNSRGQDOT-SECBINFHSA-N 1 2 255.745 2.391 20 10 CECDLO OC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000877668070 650842672 /nfs/dbraw/zinc/84/26/72/650842672.db2.gz UMHCGYAAFUMTFT-OTSSQURYSA-N 1 2 259.708 2.045 20 10 CECDLO C[C@H](O)c1ncc(C[N@@H+]2Cc3cccc(O)c3C2)s1 ZINC000877702587 650859478 /nfs/dbraw/zinc/85/94/78/650859478.db2.gz CNHVWMHWXMQBNF-VIFPVBQESA-N 1 2 276.361 2.418 20 10 CECDLO C[C@H](O)c1ncc(C[N@H+]2Cc3cccc(O)c3C2)s1 ZINC000877702587 650859483 /nfs/dbraw/zinc/85/94/83/650859483.db2.gz CNHVWMHWXMQBNF-VIFPVBQESA-N 1 2 276.361 2.418 20 10 CECDLO COc1cc(C[N@@H+]2Cc3cccc(O)c3C2)sn1 ZINC000877702604 650859523 /nfs/dbraw/zinc/85/95/23/650859523.db2.gz DFSWMFXMIAKKAO-UHFFFAOYSA-N 1 2 262.334 2.373 20 10 CECDLO COc1cc(C[N@H+]2Cc3cccc(O)c3C2)sn1 ZINC000877702604 650859524 /nfs/dbraw/zinc/85/95/24/650859524.db2.gz DFSWMFXMIAKKAO-UHFFFAOYSA-N 1 2 262.334 2.373 20 10 CECDLO COCCOC1C[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000838986936 644111593 /nfs/dbraw/zinc/11/15/93/644111593.db2.gz LWKWXLSOUINVSB-PLNGDYQASA-N 1 2 290.407 2.113 20 10 CECDLO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756488218 644654689 /nfs/dbraw/zinc/65/46/89/644654689.db2.gz MAHVFNOXUOSGGL-RKDXNWHRSA-N 1 2 282.294 2.001 20 10 CECDLO C[C@H]([NH2+]CC1(O)CCC1)c1cc(F)cc(F)c1O ZINC000756565673 644668721 /nfs/dbraw/zinc/66/87/21/644668721.db2.gz XTJXUEFAIUPBOO-QMMMGPOBSA-N 1 2 257.280 2.236 20 10 CECDLO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756732541 644687569 /nfs/dbraw/zinc/68/75/69/644687569.db2.gz JCGCIAWPGMKELQ-NXEZZACHSA-N 1 2 289.322 2.373 20 10 CECDLO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(F)cc(F)c1O ZINC000858545459 645196176 /nfs/dbraw/zinc/19/61/76/645196176.db2.gz OUTWVBPHLORUOG-OYNCUSHFSA-N 1 2 257.280 2.092 20 10 CECDLO CCC[N@H+](CC(=O)OCC)Cc1c(O)cccc1OC ZINC000768999570 646189970 /nfs/dbraw/zinc/18/99/70/646189970.db2.gz ZLVBIWLPCFISAA-UHFFFAOYSA-N 1 2 281.352 2.176 20 10 CECDLO CCC[N@@H+](CC(=O)OCC)Cc1c(O)cccc1OC ZINC000768999570 646189974 /nfs/dbraw/zinc/18/99/74/646189974.db2.gz ZLVBIWLPCFISAA-UHFFFAOYSA-N 1 2 281.352 2.176 20 10 CECDLO COc1ccc(N(C)CC[N@H+](C)Cc2nc(C)c[nH]2)cc1 ZINC000862402870 646441957 /nfs/dbraw/zinc/44/19/57/646441957.db2.gz LTRGVWIHUBVGJH-UHFFFAOYSA-N 1 2 288.395 2.295 20 10 CECDLO COc1ccc(N(C)CC[N@@H+](C)Cc2nc(C)c[nH]2)cc1 ZINC000862402870 646441961 /nfs/dbraw/zinc/44/19/61/646441961.db2.gz LTRGVWIHUBVGJH-UHFFFAOYSA-N 1 2 288.395 2.295 20 10 CECDLO CCC(F)(F)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000862490025 646479698 /nfs/dbraw/zinc/47/96/98/646479698.db2.gz VOBNWKUBSAILKZ-UHFFFAOYSA-N 1 2 290.266 2.444 20 10 CECDLO Cc1nnc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000780791120 647471280 /nfs/dbraw/zinc/47/12/80/647471280.db2.gz KYSSDYXNAGEUJY-UHFFFAOYSA-N 1 2 280.372 2.341 20 10 CECDLO C[C@@]1(CO)CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000789558306 648312399 /nfs/dbraw/zinc/31/23/99/648312399.db2.gz WEUSHSXRUIHFDF-ZDUSSCGKSA-N 1 2 255.745 2.392 20 10 CECDLO C[C@@]1(CO)CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000789558306 648312403 /nfs/dbraw/zinc/31/24/03/648312403.db2.gz WEUSHSXRUIHFDF-ZDUSSCGKSA-N 1 2 255.745 2.392 20 10 CECDLO C[C@@H](O)CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000789757088 648338096 /nfs/dbraw/zinc/33/80/96/648338096.db2.gz KYQPTMDZXBWSBN-MRVPVSSYSA-N 1 2 261.724 2.435 20 10 CECDLO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ncnn1C ZINC000790991129 648469535 /nfs/dbraw/zinc/46/95/35/648469535.db2.gz KYRMMKPTEKFEQY-SSDOTTSWSA-N 1 2 284.722 2.164 20 10 CECDLO C[C@H](Cn1ccnc1)[NH2+]Cc1cccc(Cl)c1O ZINC000124706855 649727593 /nfs/dbraw/zinc/72/75/93/649727593.db2.gz CLNFURASAYBPLR-SNVBAGLBSA-N 1 2 265.744 2.420 20 10 CECDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883112839 652366214 /nfs/dbraw/zinc/36/62/14/652366214.db2.gz ZNFXWISSHSPRRQ-UHFFFAOYSA-N 1 2 296.321 2.307 20 10 CECDLO Cc1noc(C(C)(C)[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000883113658 652366325 /nfs/dbraw/zinc/36/63/25/652366325.db2.gz ZPZBZWNJXRBQJE-UHFFFAOYSA-N 1 2 283.278 2.387 20 10 CECDLO C[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000134899397 652886335 /nfs/dbraw/zinc/88/63/35/652886335.db2.gz YUYZSWHBMHJHRX-RQJHMYQMSA-N 1 2 292.148 2.325 20 10 CECDLO CC(C)(C)NC(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000135779758 652990037 /nfs/dbraw/zinc/99/00/37/652990037.db2.gz XRLBFDFRULFLCF-UHFFFAOYSA-N 1 2 284.787 2.440 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3cnsc3)CC2)cc1 ZINC001232225254 807230346 /nfs/dbraw/zinc/23/03/46/807230346.db2.gz YUHZCBORLNZGMZ-UHFFFAOYSA-N 1 2 289.404 2.474 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237622322 808234648 /nfs/dbraw/zinc/23/46/48/808234648.db2.gz QOBMQYLUPAWIIF-QPUJVOFHSA-N 1 2 271.719 2.405 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237622322 808234650 /nfs/dbraw/zinc/23/46/50/808234650.db2.gz QOBMQYLUPAWIIF-QPUJVOFHSA-N 1 2 271.719 2.405 20 10 CECDLO COCC[N@H+](CCF)Cc1cc(F)cc(F)c1O ZINC000708433191 809930738 /nfs/dbraw/zinc/93/07/38/809930738.db2.gz JCRCBDHPDMBGJR-UHFFFAOYSA-N 1 2 263.259 2.088 20 10 CECDLO COCC[N@@H+](CCF)Cc1cc(F)cc(F)c1O ZINC000708433191 809930740 /nfs/dbraw/zinc/93/07/40/809930740.db2.gz JCRCBDHPDMBGJR-UHFFFAOYSA-N 1 2 263.259 2.088 20 10 CECDLO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ncn(C)n1 ZINC000391879878 813291869 /nfs/dbraw/zinc/29/18/69/813291869.db2.gz VFAONPDCINIBPI-QMMMGPOBSA-N 1 2 266.732 2.025 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H]1C ZINC001139127284 815964981 /nfs/dbraw/zinc/96/49/81/815964981.db2.gz SXKZKILJLBXBQC-SNVBAGLBSA-N 1 2 259.305 2.401 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H]1C ZINC001139127284 815964984 /nfs/dbraw/zinc/96/49/84/815964984.db2.gz SXKZKILJLBXBQC-SNVBAGLBSA-N 1 2 259.305 2.401 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](F)C(=O)C2)c1 ZINC001140617309 816305148 /nfs/dbraw/zinc/30/51/48/816305148.db2.gz MAOHODJDJAJNFJ-LBPRGKRZSA-N 1 2 251.301 2.204 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CCC[C@H](F)C(=O)C2)c1 ZINC001140617309 816305155 /nfs/dbraw/zinc/30/51/55/816305155.db2.gz MAOHODJDJAJNFJ-LBPRGKRZSA-N 1 2 251.301 2.204 20 10 CECDLO c1c(C[N@@H+]2CCN3CC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141078802 816471358 /nfs/dbraw/zinc/47/13/58/816471358.db2.gz JSIIAWVEOACGIY-GOSISDBHSA-N 1 2 297.446 2.275 20 10 CECDLO c1c(C[N@H+]2CCN3CC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141078802 816471365 /nfs/dbraw/zinc/47/13/65/816471365.db2.gz JSIIAWVEOACGIY-GOSISDBHSA-N 1 2 297.446 2.275 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1O ZINC000090007401 364032383 /nfs/dbraw/zinc/03/23/83/364032383.db2.gz AXFVEDGZAXPIOJ-OAHLLOKOSA-N 1 2 293.338 2.345 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@@H]2C2CC2)c1O ZINC000090007401 364032390 /nfs/dbraw/zinc/03/23/90/364032390.db2.gz AXFVEDGZAXPIOJ-OAHLLOKOSA-N 1 2 293.338 2.345 20 10 CECDLO Cn1ccnc1C[N@H+](C)Cc1cccc(Cl)c1O ZINC000160234196 366985679 /nfs/dbraw/zinc/98/56/79/366985679.db2.gz OYFKLQRNIBTZAP-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO Cn1ccnc1C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000160234196 366985684 /nfs/dbraw/zinc/98/56/84/366985684.db2.gz OYFKLQRNIBTZAP-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO OCCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000227331957 370366564 /nfs/dbraw/zinc/36/65/64/370366564.db2.gz VPDPFXWCBUVYFB-UHFFFAOYSA-N 1 2 294.178 2.188 20 10 CECDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271200522 373177653 /nfs/dbraw/zinc/17/76/53/373177653.db2.gz PSPXTASXTPLJFS-JGRMJRGVSA-N 1 2 298.427 2.233 20 10 CECDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271200522 373177661 /nfs/dbraw/zinc/17/76/61/373177661.db2.gz PSPXTASXTPLJFS-JGRMJRGVSA-N 1 2 298.427 2.233 20 10 CECDLO COCC1(O)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000271839818 373204040 /nfs/dbraw/zinc/20/40/40/373204040.db2.gz QARCEZVPLNFOAP-UHFFFAOYSA-N 1 2 285.771 2.019 20 10 CECDLO Oc1ccc(F)cc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000272339486 373436520 /nfs/dbraw/zinc/43/65/20/373436520.db2.gz YHDYQTKQPFOFCN-UHFFFAOYSA-N 1 2 290.338 2.442 20 10 CECDLO COC(=O)[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC000272785693 373657546 /nfs/dbraw/zinc/65/75/46/373657546.db2.gz BTXJDPBBARLWRN-AWEZNQCLSA-N 1 2 263.337 2.045 20 10 CECDLO COC(=O)COc1ccc([N@H+](C)CC2CCC2)cc1 ZINC000273156606 373748730 /nfs/dbraw/zinc/74/87/30/373748730.db2.gz YXOCQZXSGGWCBF-UHFFFAOYSA-N 1 2 263.337 2.475 20 10 CECDLO COC(=O)COc1ccc([N@@H+](C)CC2CCC2)cc1 ZINC000273156606 373748738 /nfs/dbraw/zinc/74/87/38/373748738.db2.gz YXOCQZXSGGWCBF-UHFFFAOYSA-N 1 2 263.337 2.475 20 10 CECDLO Cc1ccc([C@H](C)[NH2+]CC(F)(F)CO)c(O)c1C ZINC000274455383 373929341 /nfs/dbraw/zinc/92/93/41/373929341.db2.gz ZNUDKAJLHWVTDP-JTQLQIEISA-N 1 2 259.296 2.287 20 10 CECDLO CC[N@H+](C[C@H]1CCCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000284264217 375825349 /nfs/dbraw/zinc/82/53/49/375825349.db2.gz XDGBUZJPLCMFOT-CYBMUJFWSA-N 1 2 297.420 2.346 20 10 CECDLO CC[N@@H+](C[C@H]1CCCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000284264217 375825351 /nfs/dbraw/zinc/82/53/51/375825351.db2.gz XDGBUZJPLCMFOT-CYBMUJFWSA-N 1 2 297.420 2.346 20 10 CECDLO CC[C@H]([NH2+]Cc1ncn(C)n1)c1cccc(Cl)c1O ZINC000287625128 376278964 /nfs/dbraw/zinc/27/89/64/376278964.db2.gz KAKPCVIJQBHSGX-NSHDSACASA-N 1 2 280.759 2.415 20 10 CECDLO COc1cccc(CNc2nc[nH+]c(N)c2Cl)c1O ZINC000302914840 379476855 /nfs/dbraw/zinc/47/68/55/379476855.db2.gz VEUFHXYBTGYELJ-UHFFFAOYSA-N 1 2 280.715 2.039 20 10 CECDLO COc1cccc(CNc2[nH+]cnc(N)c2Cl)c1O ZINC000302914840 379476860 /nfs/dbraw/zinc/47/68/60/379476860.db2.gz VEUFHXYBTGYELJ-UHFFFAOYSA-N 1 2 280.715 2.039 20 10 CECDLO COCCC[N@H+](C)CCNCc1c(O)cccc1Cl ZINC000266143697 394660002 /nfs/dbraw/zinc/66/00/02/394660002.db2.gz HZJQNVVAZUXGKI-UHFFFAOYSA-N 1 2 286.803 2.104 20 10 CECDLO COCCC[N@@H+](C)CCNCc1c(O)cccc1Cl ZINC000266143697 394660004 /nfs/dbraw/zinc/66/00/04/394660004.db2.gz HZJQNVVAZUXGKI-UHFFFAOYSA-N 1 2 286.803 2.104 20 10 CECDLO CC[C@@H](c1ccccc1O)[N@@H+]1CCn2nc(C)nc2C1 ZINC000366677779 394951103 /nfs/dbraw/zinc/95/11/03/394951103.db2.gz FYACOIVAOJILKV-ZDUSSCGKSA-N 1 2 272.352 2.259 20 10 CECDLO CC[C@@H](c1ccccc1O)[N@H+]1CCn2nc(C)nc2C1 ZINC000366677779 394951107 /nfs/dbraw/zinc/95/11/07/394951107.db2.gz FYACOIVAOJILKV-ZDUSSCGKSA-N 1 2 272.352 2.259 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373270482 395057627 /nfs/dbraw/zinc/05/76/27/395057627.db2.gz KZAWGORHWCGYJJ-AWEZNQCLSA-N 1 2 267.756 2.392 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373270482 395057630 /nfs/dbraw/zinc/05/76/30/395057630.db2.gz KZAWGORHWCGYJJ-AWEZNQCLSA-N 1 2 267.756 2.392 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H](C)CO ZINC000293547720 395238646 /nfs/dbraw/zinc/23/86/46/395238646.db2.gz GRFRKLDWIGOXOB-HTQZYQBOSA-N 1 2 261.724 2.291 20 10 CECDLO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(F)cc1O ZINC000183844146 395264746 /nfs/dbraw/zinc/26/47/46/395264746.db2.gz OGOVIUKIPWDWAP-JTQLQIEISA-N 1 2 290.342 2.310 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000361050587 261153162 /nfs/dbraw/zinc/15/31/62/261153162.db2.gz HRXDDCNQQYWIFV-LLVKDONJSA-N 1 2 263.272 2.251 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ncon1 ZINC000361050587 261153164 /nfs/dbraw/zinc/15/31/64/261153164.db2.gz HRXDDCNQQYWIFV-LLVKDONJSA-N 1 2 263.272 2.251 20 10 CECDLO CCC[C@@](C)([NH2+]Cc1cc(F)ccc1O)C(=O)OC ZINC000184046788 262006605 /nfs/dbraw/zinc/00/66/05/262006605.db2.gz QHMDQSWYDRBDFY-CQSZACIVSA-N 1 2 269.316 2.353 20 10 CECDLO CO[C@H]1Cc2ccccc2N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000282869277 277352521 /nfs/dbraw/zinc/35/25/21/277352521.db2.gz UMHLHFVZOBFAJP-UZYOAWRESA-N 1 2 283.331 2.027 20 10 CECDLO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276899738 288750359 /nfs/dbraw/zinc/75/03/59/288750359.db2.gz IWWQJDKBWNDZDU-QMMMGPOBSA-N 1 2 282.294 2.133 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000377701411 329025800 /nfs/dbraw/zinc/02/58/00/329025800.db2.gz PAYAPZAMFKAIPG-UONOGXRCSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000377701411 329025801 /nfs/dbraw/zinc/02/58/01/329025801.db2.gz PAYAPZAMFKAIPG-UONOGXRCSA-N 1 2 297.782 2.425 20 10 CECDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1nncn1C ZINC000124800127 329573858 /nfs/dbraw/zinc/57/38/58/329573858.db2.gz HFBXRDXDEXYOCW-QMMMGPOBSA-N 1 2 266.732 2.025 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1F ZINC000289799156 522175293 /nfs/dbraw/zinc/17/52/93/522175293.db2.gz MQDJSLCZNQNXAX-HNNXBMFYSA-N 1 2 284.350 2.188 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)cc1F ZINC000289799156 522175303 /nfs/dbraw/zinc/17/53/03/522175303.db2.gz MQDJSLCZNQNXAX-HNNXBMFYSA-N 1 2 284.350 2.188 20 10 CECDLO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000276852727 525372843 /nfs/dbraw/zinc/37/28/43/525372843.db2.gz BEPSZNRAQINZFZ-VIFPVBQESA-N 1 2 281.306 2.297 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000228003598 526330072 /nfs/dbraw/zinc/33/00/72/526330072.db2.gz PTEMWAWBWAPTRI-OLZOCXBDSA-N 1 2 251.301 2.285 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000228003598 526330077 /nfs/dbraw/zinc/33/00/77/526330077.db2.gz PTEMWAWBWAPTRI-OLZOCXBDSA-N 1 2 251.301 2.285 20 10 CECDLO O=C(NCCCCNc1cccc[nH+]1)C1=CC(=O)CS1 ZINC000732287313 574618096 /nfs/dbraw/zinc/61/80/96/574618096.db2.gz APBUPUCRGLQICN-UHFFFAOYSA-N 1 2 291.376 2.471 20 10 CECDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1ccccc1O ZINC000748346357 575183488 /nfs/dbraw/zinc/18/34/88/575183488.db2.gz VPUGSJCFZMSXQH-UHFFFAOYSA-N 1 2 295.342 2.367 20 10 CECDLO CC(C)C[C@@H](C(=O)NCc1ccccc1O)n1cc[nH+]c1 ZINC000821055131 634616158 /nfs/dbraw/zinc/61/61/58/634616158.db2.gz IAVDYYAQSPNXEI-AWEZNQCLSA-N 1 2 287.363 2.492 20 10 CECDLO CC[C@H]([NH2+]CCCON)c1cccc(Cl)c1O ZINC000902414824 634664117 /nfs/dbraw/zinc/66/41/17/634664117.db2.gz DBGZKAJGBRFTOO-NSHDSACASA-N 1 2 258.749 2.367 20 10 CECDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(CO)on1 ZINC000924861984 629125614 /nfs/dbraw/zinc/12/56/14/629125614.db2.gz NNMSORCKWIFOLC-SNVBAGLBSA-N 1 2 293.342 2.223 20 10 CECDLO Cc1nonc1[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000924901322 629236201 /nfs/dbraw/zinc/23/62/01/629236201.db2.gz RWWOJQDQSCGIAW-SECBINFHSA-N 1 2 259.309 2.164 20 10 CECDLO Cc1nc([C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)n[nH]1 ZINC000895008331 629799476 /nfs/dbraw/zinc/79/94/76/629799476.db2.gz WCWBIKWMJMDNAL-JTQLQIEISA-N 1 2 292.770 2.462 20 10 CECDLO Cc1nc([C@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)n[nH]1 ZINC000895008331 629799479 /nfs/dbraw/zinc/79/94/79/629799479.db2.gz WCWBIKWMJMDNAL-JTQLQIEISA-N 1 2 292.770 2.462 20 10 CECDLO COc1cc(C)cc(C[N@@H+]2CCCc3[nH]ncc3C2)c1O ZINC000895364868 630141017 /nfs/dbraw/zinc/14/10/17/630141017.db2.gz SXEWOCAVJGROBM-UHFFFAOYSA-N 1 2 287.363 2.381 20 10 CECDLO COc1cccc(O)c1C[NH+]1CC(OC(C)C)C1 ZINC000895952454 630416686 /nfs/dbraw/zinc/41/66/86/630416686.db2.gz NZIBMWKHUXQKDN-UHFFFAOYSA-N 1 2 251.326 2.010 20 10 CECDLO CO[C@]12CCC[C@@]1([NH2+]Cc1ccc(F)c(F)c1O)CCO2 ZINC000896411071 630556685 /nfs/dbraw/zinc/55/66/85/630556685.db2.gz AFYMOFSDRJEARJ-CABCVRRESA-N 1 2 299.317 2.446 20 10 CECDLO C[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCN1C ZINC000896554171 630597129 /nfs/dbraw/zinc/59/71/29/630597129.db2.gz IPIUPRWPBLQGCN-PELKAZGASA-N 1 2 272.751 2.367 20 10 CECDLO Oc1cccc(F)c1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000896639612 630622526 /nfs/dbraw/zinc/62/25/26/630622526.db2.gz XDZPGGSDSKORCJ-UHFFFAOYSA-N 1 2 276.315 2.138 20 10 CECDLO Cc1noc(C2([NH2+]Cc3cc(C)c(C)cc3O)CC2)n1 ZINC000897897666 631966624 /nfs/dbraw/zinc/96/66/24/631966624.db2.gz FNRBUTFHXHGFPZ-UHFFFAOYSA-N 1 2 273.336 2.479 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898203106 632083597 /nfs/dbraw/zinc/08/35/97/632083597.db2.gz RIXNKPCZJHXQBT-GFCCVEGCSA-N 1 2 255.745 2.296 20 10 CECDLO Oc1cc2c(cc1C[N@@H+]1CCn3cncc3C1)CCC2 ZINC000811787872 632444408 /nfs/dbraw/zinc/44/44/08/632444408.db2.gz XEDGLFWICPNYFG-UHFFFAOYSA-N 1 2 269.348 2.093 20 10 CECDLO Oc1cc2c(cc1C[N@H+]1CCn3cncc3C1)CCC2 ZINC000811787872 632444415 /nfs/dbraw/zinc/44/44/15/632444415.db2.gz XEDGLFWICPNYFG-UHFFFAOYSA-N 1 2 269.348 2.093 20 10 CECDLO Cc1nonc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816611290 633421647 /nfs/dbraw/zinc/42/16/47/633421647.db2.gz MAUVCZWIDTZXJI-UHFFFAOYSA-N 1 2 271.679 2.166 20 10 CECDLO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1O ZINC000817949368 633794994 /nfs/dbraw/zinc/79/49/94/633794994.db2.gz JWHPXMIDSRLWTH-PWSUYJOCSA-N 1 2 252.333 2.324 20 10 CECDLO CC[NH2+][C@H](C)CN[C@H](C)c1cc(F)cc(F)c1O ZINC000817974099 633817460 /nfs/dbraw/zinc/81/74/60/633817460.db2.gz YJVNMXSONDIMNH-RKDXNWHRSA-N 1 2 258.312 2.319 20 10 CECDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(N(C)C)cc1 ZINC000822082566 634846568 /nfs/dbraw/zinc/84/65/68/634846568.db2.gz NINBCXOPPYXIIK-NILFDRSVSA-N 1 2 298.390 2.457 20 10 CECDLO C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(N(C)C)cc1 ZINC000822082566 634846572 /nfs/dbraw/zinc/84/65/72/634846572.db2.gz NINBCXOPPYXIIK-NILFDRSVSA-N 1 2 298.390 2.457 20 10 CECDLO CC(C)c1nnc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000824603548 635461701 /nfs/dbraw/zinc/46/17/01/635461701.db2.gz TXZSQRKSMQUVTJ-UHFFFAOYSA-N 1 2 291.374 2.423 20 10 CECDLO CC[N@H+](CC(=O)OC)Cc1cc(Cl)c(C)cc1O ZINC000824710521 635482902 /nfs/dbraw/zinc/48/29/02/635482902.db2.gz VQBLYXZCMYMKSY-UHFFFAOYSA-N 1 2 271.744 2.349 20 10 CECDLO CC[N@@H+](CC(=O)OC)Cc1cc(Cl)c(C)cc1O ZINC000824710521 635482906 /nfs/dbraw/zinc/48/29/06/635482906.db2.gz VQBLYXZCMYMKSY-UHFFFAOYSA-N 1 2 271.744 2.349 20 10 CECDLO Cc1cncc(CC[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000827384411 636311414 /nfs/dbraw/zinc/31/14/14/636311414.db2.gz SEEZZRMNZAHOKX-UHFFFAOYSA-N 1 2 277.755 2.476 20 10 CECDLO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)c1ncn(C)n1 ZINC000835045726 638036519 /nfs/dbraw/zinc/03/65/19/638036519.db2.gz PFQFCOVFAXUCOB-URWSZGRFSA-N 1 2 285.395 2.245 20 10 CECDLO Cc1cc(C)c(CNC(=O)NCc2ccccc2O)c[nH+]1 ZINC000836654770 638682924 /nfs/dbraw/zinc/68/29/24/638682924.db2.gz CCPMSQQHQMVDJS-UHFFFAOYSA-N 1 2 285.347 2.403 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000840935879 639591606 /nfs/dbraw/zinc/59/16/06/639591606.db2.gz BOBPYUOWSBQMLO-UHFFFAOYSA-N 1 2 289.423 2.114 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000840935879 639591613 /nfs/dbraw/zinc/59/16/13/639591613.db2.gz BOBPYUOWSBQMLO-UHFFFAOYSA-N 1 2 289.423 2.114 20 10 CECDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)c(O)c1 ZINC000848560667 642053827 /nfs/dbraw/zinc/05/38/27/642053827.db2.gz JDLHFVGSJYZEDV-LLVKDONJSA-N 1 2 289.383 2.293 20 10 CECDLO [NH2+]=C(NCc1cc(Cl)cc(Cl)c1O)N1CCC1 ZINC000849028064 642241441 /nfs/dbraw/zinc/24/14/41/642241441.db2.gz ANWFBVVFPKNGTL-UHFFFAOYSA-N 1 2 274.151 2.429 20 10 CECDLO C[C@H](CCO)C[NH2+]Cc1cccc(Br)c1O ZINC000085126115 642375722 /nfs/dbraw/zinc/37/57/22/642375722.db2.gz NENOQYVYXOKUGY-SECBINFHSA-N 1 2 288.185 2.263 20 10 CECDLO COC[C@H](CC[NH2+][C@H](C)c1cc(F)cc(F)c1O)OC ZINC000850485169 642728926 /nfs/dbraw/zinc/72/89/26/642728926.db2.gz CAYHKRJGDKFMHK-KOLCDFICSA-N 1 2 289.322 2.373 20 10 CECDLO CCn1ncc(C[N@H+](CC)Cc2ccc(N(C)C)cc2)n1 ZINC000838781440 644019895 /nfs/dbraw/zinc/01/98/95/644019895.db2.gz JOMWXFAEKTZMEM-UHFFFAOYSA-N 1 2 287.411 2.386 20 10 CECDLO CCn1ncc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)n1 ZINC000838781440 644019897 /nfs/dbraw/zinc/01/98/97/644019897.db2.gz JOMWXFAEKTZMEM-UHFFFAOYSA-N 1 2 287.411 2.386 20 10 CECDLO COc1cc(C)cc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000754731400 644421926 /nfs/dbraw/zinc/42/19/26/644421926.db2.gz ALTBIIKUQAPYJQ-JGRMJRGVSA-N 1 2 297.420 2.051 20 10 CECDLO COc1cc(C)cc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000754731400 644421928 /nfs/dbraw/zinc/42/19/28/644421928.db2.gz ALTBIIKUQAPYJQ-JGRMJRGVSA-N 1 2 297.420 2.051 20 10 CECDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(F)cc1O ZINC000756380288 644639183 /nfs/dbraw/zinc/63/91/83/644639183.db2.gz GRDCNQWIGYEZNL-BMIGLBTASA-N 1 2 288.322 2.409 20 10 CECDLO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(F)cc(F)c1O ZINC000756575678 644670849 /nfs/dbraw/zinc/67/08/49/644670849.db2.gz JRFQSROYEMVXAP-RMLUDKJBSA-N 1 2 271.307 2.482 20 10 CECDLO C[C@@H]1C[C@@H]([NH2+]CC(F)(F)CO)c2c1c(F)ccc2O ZINC000768285119 646104122 /nfs/dbraw/zinc/10/41/22/646104122.db2.gz DVKWCTYIDNOBGG-VXNVDRBHSA-N 1 2 275.270 2.297 20 10 CECDLO Cc1ccc(O)c(CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC000862755729 646556248 /nfs/dbraw/zinc/55/62/48/646556248.db2.gz WYVCMYFNNIWISJ-GFCCVEGCSA-N 1 2 273.336 2.165 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccon1 ZINC000790974416 648466802 /nfs/dbraw/zinc/46/68/02/648466802.db2.gz UOPOWIXAMXNMEF-UHFFFAOYSA-N 1 2 256.664 2.463 20 10 CECDLO CCOc1ccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)c(O)c1 ZINC000792193554 648623233 /nfs/dbraw/zinc/62/32/33/648623233.db2.gz XZPGBHIKDGFCLQ-RYUDHWBXSA-N 1 2 297.420 2.132 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000124856394 649751940 /nfs/dbraw/zinc/75/19/40/649751940.db2.gz IMPQQSWJMJJOGU-JLLWLGSASA-N 1 2 253.729 2.455 20 10 CECDLO COC(=O)CC[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685941 804455519 /nfs/dbraw/zinc/45/55/19/804455519.db2.gz GOZLZJHPQMZAJC-SNVBAGLBSA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)CC[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685941 804455523 /nfs/dbraw/zinc/45/55/23/804455523.db2.gz GOZLZJHPQMZAJC-SNVBAGLBSA-N 1 2 299.317 2.446 20 10 CECDLO Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001237807958 808257872 /nfs/dbraw/zinc/25/78/72/808257872.db2.gz OUSWYTVMSLZFFK-WDEREUQCSA-N 1 2 277.698 2.089 20 10 CECDLO Oc1c(Cl)cc(F)cc1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001237807958 808257877 /nfs/dbraw/zinc/25/78/77/808257877.db2.gz OUSWYTVMSLZFFK-WDEREUQCSA-N 1 2 277.698 2.089 20 10 CECDLO CCOC(=O)[C@H]([NH2+]Cc1cc(C)ccc1O)C1CC1 ZINC001116755756 814879548 /nfs/dbraw/zinc/87/95/48/814879548.db2.gz TYUSSSWQGDALKB-CQSZACIVSA-N 1 2 263.337 2.132 20 10 CECDLO CC(=O)N1CC[C@@H]([N@@H+](Cc2cccc(F)c2O)C(C)C)C1 ZINC001138129800 815733267 /nfs/dbraw/zinc/73/32/67/815733267.db2.gz WVPLBJNHDIUCGA-CQSZACIVSA-N 1 2 294.370 2.363 20 10 CECDLO CC(=O)N1CC[C@@H]([N@H+](Cc2cccc(F)c2O)C(C)C)C1 ZINC001138129800 815733271 /nfs/dbraw/zinc/73/32/71/815733271.db2.gz WVPLBJNHDIUCGA-CQSZACIVSA-N 1 2 294.370 2.363 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001139684452 816082247 /nfs/dbraw/zinc/08/22/47/816082247.db2.gz VBIVVNSKVDFBLB-LLVKDONJSA-N 1 2 282.334 2.341 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001139684452 816082251 /nfs/dbraw/zinc/08/22/51/816082251.db2.gz VBIVVNSKVDFBLB-LLVKDONJSA-N 1 2 282.334 2.341 20 10 CECDLO Oc1cccc2c1C[N@H+](Cc1cnc(Cl)nc1)CC2 ZINC001139992180 816159718 /nfs/dbraw/zinc/15/97/18/816159718.db2.gz SIXBHGZJMPEBNY-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO Oc1cccc2c1C[N@@H+](Cc1cnc(Cl)nc1)CC2 ZINC001139992180 816159722 /nfs/dbraw/zinc/15/97/22/816159722.db2.gz SIXBHGZJMPEBNY-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO N[C@@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001206245713 816172894 /nfs/dbraw/zinc/17/28/94/816172894.db2.gz XWWIBHZVZPTBCO-NSHDSACASA-N 1 2 296.239 2.136 20 10 CECDLO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001206245713 816172898 /nfs/dbraw/zinc/17/28/98/816172898.db2.gz XWWIBHZVZPTBCO-NSHDSACASA-N 1 2 296.239 2.136 20 10 CECDLO CN(CCC[NH+](C)C)Cc1c(O)cc(F)cc1F ZINC001140580167 816289656 /nfs/dbraw/zinc/28/96/56/816289656.db2.gz UBDWBPDLWMEKHA-UHFFFAOYSA-N 1 2 258.312 2.054 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001140582068 816290233 /nfs/dbraw/zinc/29/02/33/816290233.db2.gz BEBGAUIEPUYFAS-AWEZNQCLSA-N 1 2 289.297 2.357 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001140582068 816290237 /nfs/dbraw/zinc/29/02/37/816290237.db2.gz BEBGAUIEPUYFAS-AWEZNQCLSA-N 1 2 289.297 2.357 20 10 CECDLO C[C@]1(O)CCCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582431 816290769 /nfs/dbraw/zinc/29/07/69/816290769.db2.gz IZJDSZFKIQGGKM-AWEZNQCLSA-N 1 2 271.307 2.407 20 10 CECDLO C[C@]1(O)CCCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582431 816290774 /nfs/dbraw/zinc/29/07/74/816290774.db2.gz IZJDSZFKIQGGKM-AWEZNQCLSA-N 1 2 271.307 2.407 20 10 CECDLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140583286 816291963 /nfs/dbraw/zinc/29/19/63/816291963.db2.gz CUYGHWGOFAGTGA-SCZZXKLOSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140583286 816291969 /nfs/dbraw/zinc/29/19/69/816291969.db2.gz CUYGHWGOFAGTGA-SCZZXKLOSA-N 1 2 257.280 2.016 20 10 CECDLO C[N@@H+]1CCN(Cc2c(O)cc(F)cc2F)CC1(C)C ZINC001140584377 816292311 /nfs/dbraw/zinc/29/23/11/816292311.db2.gz PFNFRQLHQMFLNB-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO C[N@H+]1CCN(Cc2c(O)cc(F)cc2F)CC1(C)C ZINC001140584377 816292315 /nfs/dbraw/zinc/29/23/15/816292315.db2.gz PFNFRQLHQMFLNB-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO CC[N@@H+](CCn1cccn1)Cc1c(O)cc(F)cc1F ZINC001140583599 816292531 /nfs/dbraw/zinc/29/25/31/816292531.db2.gz NASKOCBIKUVGMK-UHFFFAOYSA-N 1 2 281.306 2.389 20 10 CECDLO C[NH+](C)C[C@@H]1CCCN1Cc1c(O)cc(F)cc1F ZINC001140583472 816293896 /nfs/dbraw/zinc/29/38/96/816293896.db2.gz IKMMLZGVQVIAGK-NSHDSACASA-N 1 2 270.323 2.196 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c(Cl)c1 ZINC001140921970 816410745 /nfs/dbraw/zinc/41/07/45/816410745.db2.gz YNXJPKBVGBMZJV-AAEUAGOBSA-N 1 2 286.778 2.311 20 10 CECDLO CN(C)c1ccc(C[N@H+]2C[C@@H](F)C[C@H]2CO)c(Cl)c1 ZINC001140921970 816410752 /nfs/dbraw/zinc/41/07/52/816410752.db2.gz YNXJPKBVGBMZJV-AAEUAGOBSA-N 1 2 286.778 2.311 20 10 CECDLO C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143110795 816787880 /nfs/dbraw/zinc/78/78/80/816787880.db2.gz PLFUUILOPDXEPU-LLVKDONJSA-N 1 2 276.380 2.010 20 10 CECDLO C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143110795 816787887 /nfs/dbraw/zinc/78/78/87/816787887.db2.gz PLFUUILOPDXEPU-LLVKDONJSA-N 1 2 276.380 2.010 20 10 CECDLO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187723560 369210822 /nfs/dbraw/zinc/21/08/22/369210822.db2.gz VDMHTLGKUKIXQY-OTYXRUKQSA-N 1 2 289.322 2.109 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(F)c(F)c1O ZINC000189335194 369499939 /nfs/dbraw/zinc/49/99/39/369499939.db2.gz NZLIZKLRHUNWMI-AEJSXWLSSA-N 1 2 271.307 2.482 20 10 CECDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000365446119 372862123 /nfs/dbraw/zinc/86/21/23/372862123.db2.gz GQVUBLDEHKSZSM-MGNBDDOMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000365446119 372862129 /nfs/dbraw/zinc/86/21/29/372862129.db2.gz GQVUBLDEHKSZSM-MGNBDDOMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276896448 374338649 /nfs/dbraw/zinc/33/86/49/374338649.db2.gz IIGAOVKVBSVUIF-BLBZPCKPSA-N 1 2 291.363 2.478 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000375340972 374653832 /nfs/dbraw/zinc/65/38/32/374653832.db2.gz LFBYVEZLHLOTEC-OAHLLOKOSA-N 1 2 293.338 2.345 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000375340972 374653839 /nfs/dbraw/zinc/65/38/39/374653839.db2.gz LFBYVEZLHLOTEC-OAHLLOKOSA-N 1 2 293.338 2.345 20 10 CECDLO Cc1cc(C[NH2+]Cc2cccc(Cl)c2O)n(C)n1 ZINC000284210816 375825475 /nfs/dbraw/zinc/82/54/75/375825475.db2.gz CDYXVBVGRXMMMU-UHFFFAOYSA-N 1 2 265.744 2.377 20 10 CECDLO CC[N@H+](CCc1ccnn1C)c1ccc(OC)cc1 ZINC000284446852 375827918 /nfs/dbraw/zinc/82/79/18/375827918.db2.gz QPGRHKNOHJZDAX-UHFFFAOYSA-N 1 2 259.353 2.498 20 10 CECDLO CC[N@@H+](CCc1ccnn1C)c1ccc(OC)cc1 ZINC000284446852 375827925 /nfs/dbraw/zinc/82/79/25/375827925.db2.gz QPGRHKNOHJZDAX-UHFFFAOYSA-N 1 2 259.353 2.498 20 10 CECDLO Oc1c(Cl)cccc1C[NH+]1CC2(C1)CCOC2 ZINC000293993817 377862804 /nfs/dbraw/zinc/86/28/04/377862804.db2.gz LWGGLEQHDGOOOB-UHFFFAOYSA-N 1 2 253.729 2.268 20 10 CECDLO C[C@@H](CCO)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293717689 395249464 /nfs/dbraw/zinc/24/94/64/395249464.db2.gz VGRHAELFGURBFX-QMMMGPOBSA-N 1 2 261.724 2.293 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000289885269 263112862 /nfs/dbraw/zinc/11/28/62/263112862.db2.gz WGOLXUGVJLNBAM-NSHDSACASA-N 1 2 275.270 2.387 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000289885269 263112863 /nfs/dbraw/zinc/11/28/63/263112863.db2.gz WGOLXUGVJLNBAM-NSHDSACASA-N 1 2 275.270 2.387 20 10 CECDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000368974799 267215396 /nfs/dbraw/zinc/21/53/96/267215396.db2.gz PEHTXSIPDAVFJP-NDMJEZRESA-N 1 2 294.782 2.131 20 10 CECDLO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cccc(Cl)c1O ZINC000368974799 267215398 /nfs/dbraw/zinc/21/53/98/267215398.db2.gz PEHTXSIPDAVFJP-NDMJEZRESA-N 1 2 294.782 2.131 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](O)C2)c1O ZINC000050152800 518280160 /nfs/dbraw/zinc/28/01/60/518280160.db2.gz DOPIHYGCZPKYAM-GFCCVEGCSA-N 1 2 283.755 2.205 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](O)C2)c1O ZINC000050152800 518280166 /nfs/dbraw/zinc/28/01/66/518280166.db2.gz DOPIHYGCZPKYAM-GFCCVEGCSA-N 1 2 283.755 2.205 20 10 CECDLO CCCOc1ccc(C[NH2+][C@@H](C(=O)OC)C2CC2)c(O)c1 ZINC000276408352 520370133 /nfs/dbraw/zinc/37/01/33/520370133.db2.gz DZWNXRRQCJMVME-OAHLLOKOSA-N 1 2 293.363 2.222 20 10 CECDLO CCOc1cccc(C[NH2+][C@@H](CC(C)C)C(=O)OC)c1O ZINC000036980915 521370084 /nfs/dbraw/zinc/37/00/84/521370084.db2.gz NTJULCKFPVFIPI-ZDUSSCGKSA-N 1 2 295.379 2.468 20 10 CECDLO CCc1noc(C)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000292877602 522847203 /nfs/dbraw/zinc/84/72/03/522847203.db2.gz DTXIAKUQADFMJZ-UHFFFAOYSA-N 1 2 291.307 2.449 20 10 CECDLO CC(C)[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756586858 574822169 /nfs/dbraw/zinc/82/21/69/574822169.db2.gz VPHHSCAFYPDUOQ-PELKAZGASA-N 1 2 259.296 2.338 20 10 CECDLO C[N@H+](CC(=O)NC(C)(C)C)Cc1c(O)cccc1Cl ZINC000120681088 622804496 /nfs/dbraw/zinc/80/44/96/622804496.db2.gz WBCJUBHHMCWWID-UHFFFAOYSA-N 1 2 284.787 2.392 20 10 CECDLO COC(=O)CCC(C)(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000894471052 629480077 /nfs/dbraw/zinc/48/00/77/629480077.db2.gz ZNVDTQKAPDNBDV-UHFFFAOYSA-N 1 2 287.306 2.492 20 10 CECDLO CCOC(=O)[C@H](C)C1C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000895477139 630212684 /nfs/dbraw/zinc/21/26/84/630212684.db2.gz QAPUCSWOENKDAJ-SECBINFHSA-N 1 2 299.317 2.301 20 10 CECDLO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cc(F)cc(F)c2O)C1 ZINC000895477140 630212934 /nfs/dbraw/zinc/21/29/34/630212934.db2.gz QAPUCSWOENKDAJ-VIFPVBQESA-N 1 2 299.317 2.301 20 10 CECDLO COc1cc(O)c(C[NH2+][C@@H](C)C(F)F)cc1OC ZINC000895729322 630318967 /nfs/dbraw/zinc/31/89/67/630318967.db2.gz GCLCLKWRGUNOKQ-ZETCQYMHSA-N 1 2 261.268 2.153 20 10 CECDLO Cn1ncc(C[NH2+]Cc2c(O)cccc2F)c1Cl ZINC000896636292 630620685 /nfs/dbraw/zinc/62/06/85/630620685.db2.gz AFSHCNPBKBXFBK-UHFFFAOYSA-N 1 2 269.707 2.208 20 10 CECDLO CCn1cnc2c1CC[N@H+](Cc1c(O)cccc1OC)C2 ZINC000897336738 631138232 /nfs/dbraw/zinc/13/82/32/631138232.db2.gz NMWNBOMAFBPKFG-UHFFFAOYSA-N 1 2 287.363 2.176 20 10 CECDLO CCn1cnc2c1CC[N@@H+](Cc1c(O)cccc1OC)C2 ZINC000897336738 631138233 /nfs/dbraw/zinc/13/82/33/631138233.db2.gz NMWNBOMAFBPKFG-UHFFFAOYSA-N 1 2 287.363 2.176 20 10 CECDLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000897344557 631150422 /nfs/dbraw/zinc/15/04/22/631150422.db2.gz DOTOZOPGLMGLAI-ZDUSSCGKSA-N 1 2 296.798 2.440 20 10 CECDLO CN(C)CC[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CCCO1 ZINC000809737619 632135039 /nfs/dbraw/zinc/13/50/39/632135039.db2.gz JTUDDZYAFZERQR-OAHLLOKOSA-N 1 2 296.386 2.074 20 10 CECDLO CN(C)CC[N@H+](Cc1cc(F)ccc1O)C[C@H]1CCCO1 ZINC000809737619 632135047 /nfs/dbraw/zinc/13/50/47/632135047.db2.gz JTUDDZYAFZERQR-OAHLLOKOSA-N 1 2 296.386 2.074 20 10 CECDLO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cccc(Cl)c2O)C1 ZINC000814172932 632797765 /nfs/dbraw/zinc/79/77/65/632797765.db2.gz DGZFOBPURPOYIF-GWCFXTLKSA-N 1 2 266.772 2.182 20 10 CECDLO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cccc(Cl)c2O)C1 ZINC000814172932 632797767 /nfs/dbraw/zinc/79/77/67/632797767.db2.gz DGZFOBPURPOYIF-GWCFXTLKSA-N 1 2 266.772 2.182 20 10 CECDLO COC[C@H](CC[NH2+]Cc1cc(Cl)cc(F)c1O)OC ZINC000826840828 635858716 /nfs/dbraw/zinc/85/87/16/635858716.db2.gz ZMVCJIPALWKUKV-NSHDSACASA-N 1 2 291.750 2.326 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]C1CCOCC1 ZINC000816536313 633409654 /nfs/dbraw/zinc/40/96/54/633409654.db2.gz RHPONYABZQJSDU-UHFFFAOYSA-N 1 2 259.708 2.453 20 10 CECDLO C[N@H+](Cc1nc(C(F)F)no1)Cc1ccccc1O ZINC000822739525 634984356 /nfs/dbraw/zinc/98/43/56/634984356.db2.gz GDUZTEKKKWKXOM-UHFFFAOYSA-N 1 2 269.251 2.345 20 10 CECDLO C[N@@H+](Cc1nc(C(F)F)no1)Cc1ccccc1O ZINC000822739525 634984359 /nfs/dbraw/zinc/98/43/59/634984359.db2.gz GDUZTEKKKWKXOM-UHFFFAOYSA-N 1 2 269.251 2.345 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](CC)OC ZINC000823576313 635218256 /nfs/dbraw/zinc/21/82/56/635218256.db2.gz MNGYABJLCHSJLS-AWEZNQCLSA-N 1 2 295.379 2.182 20 10 CECDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](CC)OC ZINC000823576313 635218265 /nfs/dbraw/zinc/21/82/65/635218265.db2.gz MNGYABJLCHSJLS-AWEZNQCLSA-N 1 2 295.379 2.182 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)C1CCC1 ZINC000825240577 635596960 /nfs/dbraw/zinc/59/69/60/635596960.db2.gz MTMBVKKRYUYHBB-LBPRGKRZSA-N 1 2 273.735 2.435 20 10 CECDLO COC(=O)[C@@H](C)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835053176 638040776 /nfs/dbraw/zinc/04/07/76/638040776.db2.gz TXCNFZWMUWPWPR-KTRBRXNASA-N 1 2 276.380 2.259 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835053176 638040780 /nfs/dbraw/zinc/04/07/80/638040780.db2.gz TXCNFZWMUWPWPR-KTRBRXNASA-N 1 2 276.380 2.259 20 10 CECDLO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2O)C[C@H]2CCCCN12 ZINC000835075666 638050082 /nfs/dbraw/zinc/05/00/82/638050082.db2.gz ZLUYKQGAFLDRRI-YPMHNXCESA-N 1 2 294.782 2.289 20 10 CECDLO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000876756005 650422337 /nfs/dbraw/zinc/42/23/37/650422337.db2.gz NUDUQZGLTWUAQL-LBPRGKRZSA-N 1 2 275.270 2.464 20 10 CECDLO Cc1cccc(O)c1C[N@H+]1CCO[C@H](C(F)(F)F)C1 ZINC000876756005 650422342 /nfs/dbraw/zinc/42/23/42/650422342.db2.gz NUDUQZGLTWUAQL-LBPRGKRZSA-N 1 2 275.270 2.464 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000840953778 639598684 /nfs/dbraw/zinc/59/86/84/639598684.db2.gz AKTGJPWKGLFJCY-LLVKDONJSA-N 1 2 259.708 2.216 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H](CF)C1 ZINC000840953778 639598687 /nfs/dbraw/zinc/59/86/87/639598687.db2.gz AKTGJPWKGLFJCY-LLVKDONJSA-N 1 2 259.708 2.216 20 10 CECDLO CCn1c[nH+]cc1CN1CCOc2cc(N(C)C)ccc21 ZINC000841874069 639895096 /nfs/dbraw/zinc/89/50/96/639895096.db2.gz JQUIEEQHWPUMNH-UHFFFAOYSA-N 1 2 286.379 2.368 20 10 CECDLO CCN1C[C@@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1=O ZINC000846207811 641221916 /nfs/dbraw/zinc/22/19/16/641221916.db2.gz GCOHLAXSCJDYMA-NXEZZACHSA-N 1 2 298.333 2.189 20 10 CECDLO CCOCc1nc([C@H](C)[NH2+]Cc2ccc(C)cc2O)no1 ZINC000877541101 650776515 /nfs/dbraw/zinc/77/65/15/650776515.db2.gz LJOPKRGXGMHEKP-NSHDSACASA-N 1 2 291.351 2.471 20 10 CECDLO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(F)cc1O ZINC000850499711 642732570 /nfs/dbraw/zinc/73/25/70/642732570.db2.gz VUHAXVKXIJVWJF-PTRXPTGYSA-N 1 2 276.315 2.479 20 10 CECDLO Cc1ccc(C[NH+]2CC(OCC(F)F)C2)c(O)c1 ZINC000877580503 650798747 /nfs/dbraw/zinc/79/87/47/650798747.db2.gz MJKCILZICQHXKB-UHFFFAOYSA-N 1 2 257.280 2.167 20 10 CECDLO Oc1cccc2c1C[N@H+](Cc1cnc(N3CCCC3)nc1)C2 ZINC000877703785 650860701 /nfs/dbraw/zinc/86/07/01/650860701.db2.gz UTPNDDLHMRBTCC-UHFFFAOYSA-N 1 2 296.374 2.298 20 10 CECDLO Oc1cccc2c1C[N@@H+](Cc1cnc(N3CCCC3)nc1)C2 ZINC000877703785 650860704 /nfs/dbraw/zinc/86/07/04/650860704.db2.gz UTPNDDLHMRBTCC-UHFFFAOYSA-N 1 2 296.374 2.298 20 10 CECDLO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cc(F)cc(F)c1O ZINC000756446611 644650770 /nfs/dbraw/zinc/65/07/70/644650770.db2.gz SOGWVTIPWZHCSF-ONGXEEELSA-N 1 2 270.323 2.415 20 10 CECDLO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(F)cc(F)c1O ZINC000756707236 644683946 /nfs/dbraw/zinc/68/39/46/644683946.db2.gz XCEWXJJLMOJHBC-SILCLGDVSA-N 1 2 298.333 2.365 20 10 CECDLO C[C@@H]([NH2+]Cc1ccn(C)n1)c1cc(F)cc(F)c1O ZINC000756778733 644691692 /nfs/dbraw/zinc/69/16/92/644691692.db2.gz OXUHAYQCALAAMY-MRVPVSSYSA-N 1 2 267.279 2.255 20 10 CECDLO C[C@@H]([NH2+]CCCn1cncn1)c1cc(F)cc(F)c1O ZINC000756831932 644697441 /nfs/dbraw/zinc/69/74/41/644697441.db2.gz ZMSQMLKOYSXHLT-SECBINFHSA-N 1 2 282.294 2.003 20 10 CECDLO CCn1ncc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n1 ZINC000858443008 645160927 /nfs/dbraw/zinc/16/09/27/645160927.db2.gz ALKOWCDOZACDTM-QMMMGPOBSA-N 1 2 282.294 2.133 20 10 CECDLO CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1cccc(Cl)c1O ZINC000806143753 645695767 /nfs/dbraw/zinc/69/57/67/645695767.db2.gz OSPOTDMEKGAECI-KWQFWETISA-N 1 2 270.760 2.350 20 10 CECDLO COC(=O)c1coc([C@H](C)[N@H+](C)Cc2ccccc2O)n1 ZINC000878242144 651043541 /nfs/dbraw/zinc/04/35/41/651043541.db2.gz NGUZABDJHHCVAB-JTQLQIEISA-N 1 2 290.319 2.360 20 10 CECDLO COC(=O)c1coc([C@H](C)[N@@H+](C)Cc2ccccc2O)n1 ZINC000878242144 651043543 /nfs/dbraw/zinc/04/35/43/651043543.db2.gz NGUZABDJHHCVAB-JTQLQIEISA-N 1 2 290.319 2.360 20 10 CECDLO CN(C)c1cc(COC(=O)C2=CC(=O)CS2)cc[nH+]1 ZINC000767536724 646003350 /nfs/dbraw/zinc/00/33/50/646003350.db2.gz JMOBTXOINYRMAN-UHFFFAOYSA-N 1 2 278.333 2.272 20 10 CECDLO CN(C)c1cc(F)c(C[N@H+](C)Cc2cnn(C)c2)cc1F ZINC000862212694 646365578 /nfs/dbraw/zinc/36/55/78/646365578.db2.gz JYIVPAKBAULKAD-UHFFFAOYSA-N 1 2 294.349 2.396 20 10 CECDLO CN(C)c1cc(F)c(C[N@@H+](C)Cc2cnn(C)c2)cc1F ZINC000862212694 646365580 /nfs/dbraw/zinc/36/55/80/646365580.db2.gz JYIVPAKBAULKAD-UHFFFAOYSA-N 1 2 294.349 2.396 20 10 CECDLO OC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775647862 646976149 /nfs/dbraw/zinc/97/61/49/646976149.db2.gz FSFTXFSHWRUHJP-SNVBAGLBSA-N 1 2 259.708 2.141 20 10 CECDLO OC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775647862 646976151 /nfs/dbraw/zinc/97/61/51/646976151.db2.gz FSFTXFSHWRUHJP-SNVBAGLBSA-N 1 2 259.708 2.141 20 10 CECDLO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775656677 646977049 /nfs/dbraw/zinc/97/70/49/646977049.db2.gz YPWSCXZCLGWVAU-QMMMGPOBSA-N 1 2 289.734 2.426 20 10 CECDLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775656677 646977051 /nfs/dbraw/zinc/97/70/51/646977051.db2.gz YPWSCXZCLGWVAU-QMMMGPOBSA-N 1 2 289.734 2.426 20 10 CECDLO COc1ccc(O)c(C[N@H+](C)Cc2nnc3ccccn32)c1 ZINC000775668313 646978471 /nfs/dbraw/zinc/97/84/71/646978471.db2.gz WNMVLDZKHDGLRB-UHFFFAOYSA-N 1 2 298.346 2.076 20 10 CECDLO COc1ccc(O)c(C[N@@H+](C)Cc2nnc3ccccn32)c1 ZINC000775668313 646978473 /nfs/dbraw/zinc/97/84/73/646978473.db2.gz WNMVLDZKHDGLRB-UHFFFAOYSA-N 1 2 298.346 2.076 20 10 CECDLO CCN(CC)C(=O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776098209 647022952 /nfs/dbraw/zinc/02/29/52/647022952.db2.gz XAPHVOWTZODSAI-UHFFFAOYSA-N 1 2 288.750 2.143 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(C)(C)O ZINC000776151412 647027174 /nfs/dbraw/zinc/02/71/74/647027174.db2.gz MRIRVUNMVNSOLL-SSDOTTSWSA-N 1 2 261.724 2.434 20 10 CECDLO CNC(=O)C1([NH2+]Cc2cccc(Cl)c2O)CCCC1 ZINC000779177230 647294513 /nfs/dbraw/zinc/29/45/13/647294513.db2.gz YGBGAQCFYNMIFA-UHFFFAOYSA-N 1 2 282.771 2.194 20 10 CECDLO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000780787561 647470988 /nfs/dbraw/zinc/47/09/88/647470988.db2.gz VYBROLNIGNDUBS-IUCAKERBSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000780787561 647470992 /nfs/dbraw/zinc/47/09/92/647470992.db2.gz VYBROLNIGNDUBS-IUCAKERBSA-N 1 2 273.735 2.387 20 10 CECDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1c(O)cccc1Cl ZINC000783727733 647752270 /nfs/dbraw/zinc/75/22/70/647752270.db2.gz FKKSYNLLGIEJCA-CYBMUJFWSA-N 1 2 296.798 2.392 20 10 CECDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000783727733 647752272 /nfs/dbraw/zinc/75/22/72/647752272.db2.gz FKKSYNLLGIEJCA-CYBMUJFWSA-N 1 2 296.798 2.392 20 10 CECDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ncnn1C ZINC000789595402 648321599 /nfs/dbraw/zinc/32/15/99/648321599.db2.gz UFAVXNHBKXNFMD-ZETCQYMHSA-N 1 2 284.722 2.164 20 10 CECDLO CCOC(=O)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000128561369 651486500 /nfs/dbraw/zinc/48/65/00/651486500.db2.gz UMZGWFKHDBTXDF-UHFFFAOYSA-N 1 2 251.326 2.004 20 10 CECDLO CCOC(=O)C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000128561369 651486506 /nfs/dbraw/zinc/48/65/06/651486506.db2.gz UMZGWFKHDBTXDF-UHFFFAOYSA-N 1 2 251.326 2.004 20 10 CECDLO C[C@H]1CCN(CC[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883026656 652331474 /nfs/dbraw/zinc/33/14/74/652331474.db2.gz AWSZGQVBZUWWGK-JTQLQIEISA-N 1 2 270.323 2.102 20 10 CECDLO CN1C[C@@H](CC[NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000723593037 802894697 /nfs/dbraw/zinc/89/46/97/802894697.db2.gz AQTKJCXZVKWRQV-JTQLQIEISA-N 1 2 282.771 2.004 20 10 CECDLO Oc1cc(Cl)ccc1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001140465067 802947354 /nfs/dbraw/zinc/94/73/54/802947354.db2.gz HBXODHAPYZUPNV-LBPRGKRZSA-N 1 2 284.762 2.274 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3cnco3)CC2)cc1 ZINC001140927244 803609553 /nfs/dbraw/zinc/60/95/53/803609553.db2.gz KDSJDIXIKUFYAC-UHFFFAOYSA-N 1 2 273.336 2.005 20 10 CECDLO Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CCOC1 ZINC000715718418 814987613 /nfs/dbraw/zinc/98/76/13/814987613.db2.gz MHLOTKBQZYWESK-SECBINFHSA-N 1 2 290.132 2.172 20 10 CECDLO Oc1cc(C[NH+]2CCC(F)(F)CC2)cc(O)c1O ZINC001233010080 807355329 /nfs/dbraw/zinc/35/53/29/807355329.db2.gz KQFHUGVZRZHQAF-UHFFFAOYSA-N 1 2 259.252 2.035 20 10 CECDLO Oc1cccc(Nc2ccc[nH+]c2N2CCOCC2)c1O ZINC001212360277 808656662 /nfs/dbraw/zinc/65/66/62/808656662.db2.gz QVQQDDOLHTYRPE-UHFFFAOYSA-N 1 2 287.319 2.073 20 10 CECDLO CCCN(Cc1ccccc1O)C(=O)C[C@H]([NH3+])C(F)F ZINC001121862731 815361196 /nfs/dbraw/zinc/36/11/96/815361196.db2.gz OYWCXAYVJKLJMC-NSHDSACASA-N 1 2 286.322 2.113 20 10 CECDLO c1nn[nH]c1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000398331575 813669734 /nfs/dbraw/zinc/66/97/34/813669734.db2.gz GASSGKYOJILJLA-UHFFFAOYSA-N 1 2 271.368 2.085 20 10 CECDLO CC[N@H+](CC(=O)OC)Cc1ccc2c(c1)CCCN2C ZINC001138359102 815777000 /nfs/dbraw/zinc/77/70/00/815777000.db2.gz KRCPGINAMWDLAW-UHFFFAOYSA-N 1 2 276.380 2.064 20 10 CECDLO CC[N@@H+](CC(=O)OC)Cc1ccc2c(c1)CCCN2C ZINC001138359102 815777007 /nfs/dbraw/zinc/77/70/07/815777007.db2.gz KRCPGINAMWDLAW-UHFFFAOYSA-N 1 2 276.380 2.064 20 10 CECDLO CC[N@H+](CCOC)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139127511 815965738 /nfs/dbraw/zinc/96/57/38/815965738.db2.gz XHYKTDRQOHYGGN-UHFFFAOYSA-N 1 2 291.347 2.275 20 10 CECDLO CC[N@@H+](CCOC)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139127511 815965742 /nfs/dbraw/zinc/96/57/42/815965742.db2.gz XHYKTDRQOHYGGN-UHFFFAOYSA-N 1 2 291.347 2.275 20 10 CECDLO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140582064 816291291 /nfs/dbraw/zinc/29/12/91/816291291.db2.gz BDSCGPRTSVUOQL-NXEZZACHSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140582064 816291296 /nfs/dbraw/zinc/29/12/96/816291296.db2.gz BDSCGPRTSVUOQL-NXEZZACHSA-N 1 2 271.307 2.263 20 10 CECDLO Cc1nc2c(o1)CC[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140751048 816342517 /nfs/dbraw/zinc/34/25/17/816342517.db2.gz HOOOWWYDODFTMW-UHFFFAOYSA-N 1 2 274.320 2.261 20 10 CECDLO Cc1nc2c(o1)CC[N@@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140751048 816342524 /nfs/dbraw/zinc/34/25/24/816342524.db2.gz HOOOWWYDODFTMW-UHFFFAOYSA-N 1 2 274.320 2.261 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001142512830 816678602 /nfs/dbraw/zinc/67/86/02/816678602.db2.gz MTFXUFVXMDRVAX-QOSJWCAFSA-N 1 2 257.255 2.460 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001142512830 816678604 /nfs/dbraw/zinc/67/86/04/816678604.db2.gz MTFXUFVXMDRVAX-QOSJWCAFSA-N 1 2 257.255 2.460 20 10 CECDLO CCCNC(=O)C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000036780954 361856445 /nfs/dbraw/zinc/85/64/45/361856445.db2.gz KIUIFGHERKSMAE-UHFFFAOYSA-N 1 2 291.178 2.315 20 10 CECDLO COC[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000283348236 293186705 /nfs/dbraw/zinc/18/67/05/293186705.db2.gz MGNVKELTJZUHIL-HTQZYQBOSA-N 1 2 294.178 2.357 20 10 CECDLO CC(C)OCCN1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180185252 368371356 /nfs/dbraw/zinc/37/13/56/368371356.db2.gz CYLLGHBENIEDLD-UHFFFAOYSA-N 1 2 296.386 2.074 20 10 CECDLO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179726631 368348369 /nfs/dbraw/zinc/34/83/69/368348369.db2.gz NYWSJKUWHNEKEG-CYBMUJFWSA-N 1 2 294.782 2.289 20 10 CECDLO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179726631 368348374 /nfs/dbraw/zinc/34/83/74/368348374.db2.gz NYWSJKUWHNEKEG-CYBMUJFWSA-N 1 2 294.782 2.289 20 10 CECDLO COc1ccc(O)c(C[N@H+](C)Cc2cscn2)c1 ZINC000179865516 368355172 /nfs/dbraw/zinc/35/51/72/368355172.db2.gz UDHSWUKXTHZRST-UHFFFAOYSA-N 1 2 264.350 2.489 20 10 CECDLO COc1ccc(O)c(C[N@@H+](C)Cc2cscn2)c1 ZINC000179865516 368355180 /nfs/dbraw/zinc/35/51/80/368355180.db2.gz UDHSWUKXTHZRST-UHFFFAOYSA-N 1 2 264.350 2.489 20 10 CECDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179894050 368356137 /nfs/dbraw/zinc/35/61/37/368356137.db2.gz MHHAVFGDDMERFO-GFCCVEGCSA-N 1 2 267.300 2.059 20 10 CECDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000179894050 368356142 /nfs/dbraw/zinc/35/61/42/368356142.db2.gz MHHAVFGDDMERFO-GFCCVEGCSA-N 1 2 267.300 2.059 20 10 CECDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000180552481 368385920 /nfs/dbraw/zinc/38/59/20/368385920.db2.gz KPRFIRKEEWAAHX-GFCCVEGCSA-N 1 2 282.771 2.146 20 10 CECDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180552481 368385921 /nfs/dbraw/zinc/38/59/21/368385921.db2.gz KPRFIRKEEWAAHX-GFCCVEGCSA-N 1 2 282.771 2.146 20 10 CECDLO CC[N@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000188466025 369359621 /nfs/dbraw/zinc/35/96/21/369359621.db2.gz RPWSFTCZAWYJDU-UHFFFAOYSA-N 1 2 277.151 2.006 20 10 CECDLO CC[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1O ZINC000188466025 369359622 /nfs/dbraw/zinc/35/96/22/369359622.db2.gz RPWSFTCZAWYJDU-UHFFFAOYSA-N 1 2 277.151 2.006 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(F)c(F)c1O ZINC000276003711 296148301 /nfs/dbraw/zinc/14/83/01/296148301.db2.gz AVQIDZKADIRSOF-DTWKUNHWSA-N 1 2 282.294 2.001 20 10 CECDLO COc1cc(O)c(C[N@H+](C)Cc2ccon2)cc1OC ZINC000271073256 373106280 /nfs/dbraw/zinc/10/62/80/373106280.db2.gz FTAWSFBDHUKZMZ-UHFFFAOYSA-N 1 2 278.308 2.029 20 10 CECDLO COc1cc(O)c(C[N@@H+](C)Cc2ccon2)cc1OC ZINC000271073256 373106286 /nfs/dbraw/zinc/10/62/86/373106286.db2.gz FTAWSFBDHUKZMZ-UHFFFAOYSA-N 1 2 278.308 2.029 20 10 CECDLO C[C@@](O)(C[NH2+]Cc1cccc(Cl)c1O)C(F)(F)F ZINC000271765129 373200554 /nfs/dbraw/zinc/20/05/54/373200554.db2.gz AHMUDIYINMFBCC-SNVBAGLBSA-N 1 2 283.677 2.449 20 10 CECDLO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)on1 ZINC000273563883 373764937 /nfs/dbraw/zinc/76/49/37/373764937.db2.gz IYUQKDICBILXRA-SECBINFHSA-N 1 2 277.280 2.448 20 10 CECDLO CC[C@H]([NH2+]CC(F)(F)CO)c1ccc(F)cc1O ZINC000286356812 375924238 /nfs/dbraw/zinc/92/42/38/375924238.db2.gz ZNKBGBKOCQTXFL-JTQLQIEISA-N 1 2 263.259 2.200 20 10 CECDLO CC[C@@H]([NH2+]CC(F)(F)CO)c1ccc(F)cc1O ZINC000286356815 375924676 /nfs/dbraw/zinc/92/46/76/375924676.db2.gz ZNKBGBKOCQTXFL-SNVBAGLBSA-N 1 2 263.259 2.200 20 10 CECDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000292824723 377300376 /nfs/dbraw/zinc/30/03/76/377300376.db2.gz QKKTVMDWAXOHKX-ONGXEEELSA-N 1 2 255.745 2.391 20 10 CECDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000292824723 377300385 /nfs/dbraw/zinc/30/03/85/377300385.db2.gz QKKTVMDWAXOHKX-ONGXEEELSA-N 1 2 255.745 2.391 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000492814288 380699036 /nfs/dbraw/zinc/69/90/36/380699036.db2.gz UHHRUBADBJDISJ-DANTVBBOSA-N 1 2 294.358 2.439 20 10 CECDLO COC[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1O)OC ZINC000227705630 394473176 /nfs/dbraw/zinc/47/31/76/394473176.db2.gz CDRBQPASLUWAAE-JTQLQIEISA-N 1 2 294.178 2.450 20 10 CECDLO Cn1c[nH+]c2c1CCN(Cc1cc(Cl)ccc1O)C2 ZINC000374423223 395081542 /nfs/dbraw/zinc/08/15/42/395081542.db2.gz VRNWKYNWWJMMBF-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO COCCOCC[N@H+](C)Cc1cccc(Cl)c1O ZINC000290217229 395095856 /nfs/dbraw/zinc/09/58/56/395095856.db2.gz RFHPUUAVSDRFJF-UHFFFAOYSA-N 1 2 273.760 2.140 20 10 CECDLO COCCOCC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000290217229 395095859 /nfs/dbraw/zinc/09/58/59/395095859.db2.gz RFHPUUAVSDRFJF-UHFFFAOYSA-N 1 2 273.760 2.140 20 10 CECDLO C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000035602840 172291211 /nfs/dbraw/zinc/29/12/11/172291211.db2.gz STWLNEXZOQTOQB-ZCFIWIBFSA-N 1 2 250.125 2.169 20 10 CECDLO Cn1ccnc1C[NH2+]Cc1cccc(Br)c1O ZINC000071140807 176038958 /nfs/dbraw/zinc/03/89/58/176038958.db2.gz DNJXDVIARNBKQD-UHFFFAOYSA-N 1 2 296.168 2.178 20 10 CECDLO CC[C@@H]([NH2+]Cc1ncn(C)n1)c1ccc(N(C)C)cc1 ZINC000090969745 260470362 /nfs/dbraw/zinc/47/03/62/260470362.db2.gz UQSCOTPBLRGUFD-CQSZACIVSA-N 1 2 273.384 2.122 20 10 CECDLO CCCC[C@@H]([NH2+]Cc1cccc(OC)c1O)C(=O)OC ZINC000154587215 261093397 /nfs/dbraw/zinc/09/33/97/261093397.db2.gz YQUZOFHVXNFMEQ-GFCCVEGCSA-N 1 2 281.352 2.222 20 10 CECDLO CCCC[C@H]([NH2+]Cc1cccc(OC)c1O)C(=O)OC ZINC000154587104 261093428 /nfs/dbraw/zinc/09/34/28/261093428.db2.gz YQUZOFHVXNFMEQ-LBPRGKRZSA-N 1 2 281.352 2.222 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@](F)(CO)C2)c1O ZINC000367864016 267123582 /nfs/dbraw/zinc/12/35/82/267123582.db2.gz HWINASRASWWPQH-OAHLLOKOSA-N 1 2 299.317 2.030 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@](F)(CO)C2)c1O ZINC000367864016 267123583 /nfs/dbraw/zinc/12/35/83/267123583.db2.gz HWINASRASWWPQH-OAHLLOKOSA-N 1 2 299.317 2.030 20 10 CECDLO CC[C@H]([NH2+]CC[C@H](O)COC)c1cccc(Cl)c1O ZINC000287728625 288042527 /nfs/dbraw/zinc/04/25/27/288042527.db2.gz PATZKGNLEADJAE-GWCFXTLKSA-N 1 2 287.787 2.484 20 10 CECDLO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000378455492 329051317 /nfs/dbraw/zinc/05/13/17/329051317.db2.gz REFQNOTYXDPTPT-SUZMYJTESA-N 1 2 294.782 2.145 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000124816625 329574282 /nfs/dbraw/zinc/57/42/82/329574282.db2.gz GYQQTCQGVWIHJC-NWDGAFQWSA-N 1 2 255.745 2.439 20 10 CECDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1cccc(OC)c1 ZINC000492814928 332414764 /nfs/dbraw/zinc/41/47/64/332414764.db2.gz VQMOVHFCJPOJKY-BQYQJAHWSA-N 1 2 271.320 2.485 20 10 CECDLO C[C@H]([NH2+]CCO)c1ccc(Cl)c(Cl)c1O ZINC000134910995 334108141 /nfs/dbraw/zinc/10/81/41/334108141.db2.gz MDRUCCCGAKLEOV-LURJTMIESA-N 1 2 250.125 2.342 20 10 CECDLO CCOCC[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000127459852 519920036 /nfs/dbraw/zinc/92/00/36/519920036.db2.gz YBEHDODFKWFSTC-UHFFFAOYSA-N 1 2 298.814 2.200 20 10 CECDLO CCOCCN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000127459852 519920044 /nfs/dbraw/zinc/92/00/44/519920044.db2.gz YBEHDODFKWFSTC-UHFFFAOYSA-N 1 2 298.814 2.200 20 10 CECDLO CCC[NH+](CCC)c1ccc([C@H]2NC(=O)CN2C)cc1 ZINC000298792380 521651191 /nfs/dbraw/zinc/65/11/91/521651191.db2.gz RGLNRLDQRIXGAX-INIZCTEOSA-N 1 2 275.396 2.373 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)CC[S@@]1=O ZINC000277766784 524510371 /nfs/dbraw/zinc/51/03/71/524510371.db2.gz VVHSPLFDWUCVNX-MLCYQJTMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CC[S@@]1=O ZINC000277766784 524510374 /nfs/dbraw/zinc/51/03/74/524510374.db2.gz VVHSPLFDWUCVNX-MLCYQJTMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cccc(Cl)c1O ZINC000131041186 524673856 /nfs/dbraw/zinc/67/38/56/524673856.db2.gz JUQJAQWLMOTIMH-VVVCHXIZSA-N 1 2 275.801 2.244 20 10 CECDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000131041186 524673869 /nfs/dbraw/zinc/67/38/69/524673869.db2.gz JUQJAQWLMOTIMH-VVVCHXIZSA-N 1 2 275.801 2.244 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCN1CCCC1 ZINC000127869741 526327677 /nfs/dbraw/zinc/32/76/77/526327677.db2.gz MHZSDYANAQLZFL-UHFFFAOYSA-N 1 2 254.761 2.231 20 10 CECDLO CCOC(=O)[C@@H](CC1CC1)[NH2+]Cc1ccccc1O ZINC000753567691 575330391 /nfs/dbraw/zinc/33/03/91/575330391.db2.gz HKNOYABIVWWYMM-CYBMUJFWSA-N 1 2 263.337 2.214 20 10 CECDLO COCC[C@H](COC)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000811517664 622586077 /nfs/dbraw/zinc/58/60/77/622586077.db2.gz YOMURKBQBBAPMY-LLVKDONJSA-N 1 2 291.750 2.326 20 10 CECDLO [NH3+][C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000050227689 623364817 /nfs/dbraw/zinc/36/48/17/623364817.db2.gz YMYMPYXOMLYYBY-SECBINFHSA-N 1 2 261.152 2.232 20 10 CECDLO C[C@@H]1C[NH+](Cc2ccc(N(C)C)cc2)C[C@@H](C)S1=O ZINC000792192759 629600374 /nfs/dbraw/zinc/60/03/74/629600374.db2.gz PZVQJSHNUOKZRV-CHWSQXEVSA-N 1 2 280.437 2.094 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000895149602 629963794 /nfs/dbraw/zinc/96/37/94/629963794.db2.gz MCRBGJPGZZZVRF-DTORHVGOSA-N 1 2 261.218 2.367 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000895149602 629963797 /nfs/dbraw/zinc/96/37/97/629963797.db2.gz MCRBGJPGZZZVRF-DTORHVGOSA-N 1 2 261.218 2.367 20 10 CECDLO CCN1CC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895668592 630299052 /nfs/dbraw/zinc/29/90/52/630299052.db2.gz OKXUJOHZELAPAO-LLVKDONJSA-N 1 2 272.751 2.369 20 10 CECDLO COc1cc(O)c(C[NH2+][C@H](C)C(F)F)cc1OC ZINC000895729319 630319124 /nfs/dbraw/zinc/31/91/24/630319124.db2.gz GCLCLKWRGUNOKQ-SSDOTTSWSA-N 1 2 261.268 2.153 20 10 CECDLO Cc1cc(O)c(C[NH+]2CC(N3CCCC3=O)C2)c(Cl)c1 ZINC000897784991 631915728 /nfs/dbraw/zinc/91/57/28/631915728.db2.gz PGTLTDMVBBVWPZ-UHFFFAOYSA-N 1 2 294.782 2.161 20 10 CECDLO OCCC1CC([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000898011187 632001238 /nfs/dbraw/zinc/00/12/38/632001238.db2.gz SYAJKPIHUFLELH-UHFFFAOYSA-N 1 2 273.735 2.435 20 10 CECDLO CN(C)c1ccc(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1F ZINC000814180999 632801812 /nfs/dbraw/zinc/80/18/12/632801812.db2.gz UZTCDERPXDGZLL-CQSZACIVSA-N 1 2 294.370 2.418 20 10 CECDLO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)cc1F ZINC000814180999 632801818 /nfs/dbraw/zinc/80/18/18/632801818.db2.gz UZTCDERPXDGZLL-CQSZACIVSA-N 1 2 294.370 2.418 20 10 CECDLO CN(C)c1ccc(CN(C(=O)Cc2c[nH+]c[nH]2)C2CC2)cc1 ZINC000900125753 633456789 /nfs/dbraw/zinc/45/67/89/633456789.db2.gz XPSDSSSPUYARKU-UHFFFAOYSA-N 1 2 298.390 2.209 20 10 CECDLO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(Cl)c1[O-] ZINC000817984186 633826595 /nfs/dbraw/zinc/82/65/95/633826595.db2.gz VTYKENPGRZUFKR-GXFFZTMASA-N 1 2 284.787 2.075 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](CC)OC ZINC000823576315 635218787 /nfs/dbraw/zinc/21/87/87/635218787.db2.gz MNGYABJLCHSJLS-CQSZACIVSA-N 1 2 295.379 2.182 20 10 CECDLO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](CC)OC ZINC000823576315 635218793 /nfs/dbraw/zinc/21/87/93/635218793.db2.gz MNGYABJLCHSJLS-CQSZACIVSA-N 1 2 295.379 2.182 20 10 CECDLO Cc1nnc(CC[NH2+]Cc2cc(Cl)c(C)cc2O)[nH]1 ZINC000825469026 635643909 /nfs/dbraw/zinc/64/39/09/635643909.db2.gz UAYYWSCFKGLOQI-UHFFFAOYSA-N 1 2 280.759 2.113 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000835079914 638050858 /nfs/dbraw/zinc/05/08/58/638050858.db2.gz GAFAZDIQEAKLGH-GHMZBOCLSA-N 1 2 259.708 2.188 20 10 CECDLO Oc1c(C[NH+]2CCC(C3OCCO3)CC2)ccc(F)c1F ZINC000876678465 650395460 /nfs/dbraw/zinc/39/54/60/650395460.db2.gz FWTYQQOOEYVECN-UHFFFAOYSA-N 1 2 299.317 2.255 20 10 CECDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1ccc(C)cc1O ZINC000876812817 650442857 /nfs/dbraw/zinc/44/28/57/650442857.db2.gz YZGNNPOBKWKJQS-CQSZACIVSA-N 1 2 295.379 2.099 20 10 CECDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1ccc(C)cc1O ZINC000876812817 650442860 /nfs/dbraw/zinc/44/28/60/650442860.db2.gz YZGNNPOBKWKJQS-CQSZACIVSA-N 1 2 295.379 2.099 20 10 CECDLO CC[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1cccc(Cl)c1O ZINC000840837739 639557721 /nfs/dbraw/zinc/55/77/21/639557721.db2.gz LVJWCRFCYQTDBU-JOYOIKCWSA-N 1 2 282.771 2.222 20 10 CECDLO CCNC(=O)C[N@H+](CC)Cc1c(O)cc(C)cc1Cl ZINC000840909595 639582813 /nfs/dbraw/zinc/58/28/13/639582813.db2.gz JUZWDBKKMFEJPC-UHFFFAOYSA-N 1 2 284.787 2.312 20 10 CECDLO CCNC(=O)C[N@@H+](CC)Cc1c(O)cc(C)cc1Cl ZINC000840909595 639582819 /nfs/dbraw/zinc/58/28/19/639582819.db2.gz JUZWDBKKMFEJPC-UHFFFAOYSA-N 1 2 284.787 2.312 20 10 CECDLO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cc(F)cc(F)c1O ZINC000841763622 639859778 /nfs/dbraw/zinc/85/97/78/639859778.db2.gz OEWWSPCVIXMXTN-SECBINFHSA-N 1 2 270.323 2.415 20 10 CECDLO Cn1cnc(CCC[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC000843420138 640421464 /nfs/dbraw/zinc/42/14/64/640421464.db2.gz NEQYIZUTSFAMEU-UHFFFAOYSA-N 1 2 298.749 2.036 20 10 CECDLO CC[C@@H]([NH2+]Cc1nnn(C(C)(C)C)n1)c1ccccc1O ZINC000846845462 641451293 /nfs/dbraw/zinc/45/12/93/641451293.db2.gz WNRWKLFMNKNPJB-GFCCVEGCSA-N 1 2 289.383 2.375 20 10 CECDLO COCc1n[nH]c(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)n1 ZINC000850514631 642736956 /nfs/dbraw/zinc/73/69/56/642736956.db2.gz ODRYNRSYVQZLNW-QMMMGPOBSA-N 1 2 296.758 2.161 20 10 CECDLO CC[C@H]([NH2+]Cc1nc(COC)n[nH]1)c1ccc(C)cc1O ZINC000850514374 642737659 /nfs/dbraw/zinc/73/76/59/642737659.db2.gz MNHFKAAXEXJSTN-LBPRGKRZSA-N 1 2 290.367 2.206 20 10 CECDLO CCn1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)nn1 ZINC000850522345 642739140 /nfs/dbraw/zinc/73/91/40/642739140.db2.gz OVFJTOGZIVJXMU-QMMMGPOBSA-N 1 2 282.294 2.133 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000877597730 650808119 /nfs/dbraw/zinc/80/81/19/650808119.db2.gz WPXPBCBLKIAKPV-NSHDSACASA-N 1 2 294.305 2.099 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000877597730 650808123 /nfs/dbraw/zinc/80/81/23/650808123.db2.gz WPXPBCBLKIAKPV-NSHDSACASA-N 1 2 294.305 2.099 20 10 CECDLO Cc1cccc(O)c1C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000877643835 650831510 /nfs/dbraw/zinc/83/15/10/650831510.db2.gz NWZUANLYAVWXNP-UHFFFAOYSA-N 1 2 257.337 2.372 20 10 CECDLO Cc1cccc(O)c1C[N@H+]1CCCc2[nH]ncc2C1 ZINC000877643835 650831515 /nfs/dbraw/zinc/83/15/15/650831515.db2.gz NWZUANLYAVWXNP-UHFFFAOYSA-N 1 2 257.337 2.372 20 10 CECDLO CN(C)c1ccc(C[N@H+](C)CN2CC(C)(C)OC2=O)cc1 ZINC000755701671 644547782 /nfs/dbraw/zinc/54/77/82/644547782.db2.gz RKJNJWFUKWVUEB-UHFFFAOYSA-N 1 2 291.395 2.373 20 10 CECDLO CN(C)c1ccc(C[N@@H+](C)CN2CC(C)(C)OC2=O)cc1 ZINC000755701671 644547787 /nfs/dbraw/zinc/54/77/87/644547787.db2.gz RKJNJWFUKWVUEB-UHFFFAOYSA-N 1 2 291.395 2.373 20 10 CECDLO C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000843058860 644774300 /nfs/dbraw/zinc/77/43/00/644774300.db2.gz ZPQHOUWNHZZWPV-RKDXNWHRSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000843058860 644774306 /nfs/dbraw/zinc/77/43/06/644774306.db2.gz ZPQHOUWNHZZWPV-RKDXNWHRSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000843058860 644774309 /nfs/dbraw/zinc/77/43/09/644774309.db2.gz ZPQHOUWNHZZWPV-RKDXNWHRSA-N 1 2 272.751 2.354 20 10 CECDLO CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(F)cc(F)c2O)C1 ZINC000858584679 645212526 /nfs/dbraw/zinc/21/25/26/645212526.db2.gz UZSSPJYKJNULRC-SZEHBUNVSA-N 1 2 257.280 2.498 20 10 CECDLO CN(C)c1cc(F)c(CN2CCn3c[nH+]cc3C2)cc1F ZINC000862370397 646421004 /nfs/dbraw/zinc/42/10/04/646421004.db2.gz KTPFIKGHHPFEGS-UHFFFAOYSA-N 1 2 292.333 2.243 20 10 CECDLO CC(C)n1ncnc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000865437397 647292312 /nfs/dbraw/zinc/29/23/12/647292312.db2.gz KNCWNTQJOAXEMN-UHFFFAOYSA-N 1 2 291.374 2.354 20 10 CECDLO COCCC[N@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000783729631 647753359 /nfs/dbraw/zinc/75/33/59/647753359.db2.gz PFPZWOGYBONPTC-UHFFFAOYSA-N 1 2 291.750 2.016 20 10 CECDLO COCCC[N@@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000783729631 647753361 /nfs/dbraw/zinc/75/33/61/647753361.db2.gz PFPZWOGYBONPTC-UHFFFAOYSA-N 1 2 291.750 2.016 20 10 CECDLO C[C@@H](O)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000788606329 648207082 /nfs/dbraw/zinc/20/70/82/648207082.db2.gz XOFITZHPJKYWDZ-BDAKNGLRSA-N 1 2 259.296 2.482 20 10 CECDLO C[N@@H+]1CCCN(Cc2cccc(Cl)c2O)CC1 ZINC000124495340 649655637 /nfs/dbraw/zinc/65/56/37/649655637.db2.gz QUBXCEJSEONDNL-UHFFFAOYSA-N 1 2 254.761 2.183 20 10 CECDLO C[N@H+]1CCCN(Cc2cccc(Cl)c2O)CC1 ZINC000124495340 649655641 /nfs/dbraw/zinc/65/56/41/649655641.db2.gz QUBXCEJSEONDNL-UHFFFAOYSA-N 1 2 254.761 2.183 20 10 CECDLO CCOC(=O)[C@H](CC)[NH2+][C@H](C)c1ccccc1O ZINC000879648269 651334988 /nfs/dbraw/zinc/33/49/88/651334988.db2.gz HVPRPEQDYVEUCG-PWSUYJOCSA-N 1 2 251.326 2.385 20 10 CECDLO CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000882905161 652264580 /nfs/dbraw/zinc/26/45/80/652264580.db2.gz VGJXIGYTRBENES-CYBMUJFWSA-N 1 2 270.323 2.100 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+]Cc1nccs1 ZINC000708495164 803398864 /nfs/dbraw/zinc/39/88/64/803398864.db2.gz SCRNKQXQGPWRTL-UHFFFAOYSA-N 1 2 256.277 2.417 20 10 CECDLO CC(C)C[C@H](C(=O)NCc1ccc(N)cc1)n1cc[nH+]c1 ZINC001122445431 815412702 /nfs/dbraw/zinc/41/27/02/815412702.db2.gz RTFDJSXNORLCEX-OAHLLOKOSA-N 1 2 286.379 2.369 20 10 CECDLO Oc1ccc(CNc2[nH+]cnc3[nH]cc(F)c32)cc1O ZINC001169992763 811859577 /nfs/dbraw/zinc/85/95/77/811859577.db2.gz DQZXFYRDAWFXEF-UHFFFAOYSA-N 1 2 274.255 2.072 20 10 CECDLO CN(C)c1ccc(C[NH2+]Cc2nn(C)cc2Cl)cc1 ZINC000393463891 813315431 /nfs/dbraw/zinc/31/54/31/813315431.db2.gz XXMHFWATQROUMJ-UHFFFAOYSA-N 1 2 278.787 2.429 20 10 CECDLO C[N@@H+]1C[C@H]2CCCN(Cc3c(F)ccc(F)c3O)[C@H]2C1 ZINC001139682716 814727899 /nfs/dbraw/zinc/72/78/99/814727899.db2.gz BGTUSBJWATVOKL-YGRLFVJLSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1C[C@H]2CCCN(Cc3c(F)ccc(F)c3O)[C@H]2C1 ZINC001139682716 814727903 /nfs/dbraw/zinc/72/79/03/814727903.db2.gz BGTUSBJWATVOKL-YGRLFVJLSA-N 1 2 282.334 2.196 20 10 CECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)C1CC1 ZINC001116739832 814878555 /nfs/dbraw/zinc/87/85/55/814878555.db2.gz BOUYWSABCWSADW-HNNXBMFYSA-N 1 2 277.364 2.440 20 10 CECDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1c(O)cccc1F)C2 ZINC001137838755 815695968 /nfs/dbraw/zinc/69/59/68/815695968.db2.gz JVXIFJSNQZOAPC-HZMBPMFUSA-N 1 2 251.301 2.285 20 10 CECDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137838755 815695971 /nfs/dbraw/zinc/69/59/71/815695971.db2.gz JVXIFJSNQZOAPC-HZMBPMFUSA-N 1 2 251.301 2.285 20 10 CECDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001137858047 815698727 /nfs/dbraw/zinc/69/87/27/815698727.db2.gz USOSHVLZPAVYDB-HNNXBMFYSA-N 1 2 297.402 2.414 20 10 CECDLO Cc1cc(C[N@H+]2CCNC(=O)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001137858047 815698730 /nfs/dbraw/zinc/69/87/30/815698730.db2.gz USOSHVLZPAVYDB-HNNXBMFYSA-N 1 2 297.402 2.414 20 10 CECDLO CC(=O)[C@H]1C[N@H+](Cc2c(C)n(C)c3ccccc23)CCO1 ZINC001138259773 815756289 /nfs/dbraw/zinc/75/62/89/815756289.db2.gz NQUFHJGWYJIDBB-QGZVFWFLSA-N 1 2 286.375 2.277 20 10 CECDLO CC(=O)[C@H]1C[N@@H+](Cc2c(C)n(C)c3ccccc23)CCO1 ZINC001138259773 815756295 /nfs/dbraw/zinc/75/62/95/815756295.db2.gz NQUFHJGWYJIDBB-QGZVFWFLSA-N 1 2 286.375 2.277 20 10 CECDLO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)nn1C ZINC001138832349 815913830 /nfs/dbraw/zinc/91/38/30/815913830.db2.gz ROCXEBUVALIHHX-UHFFFAOYSA-N 1 2 287.363 2.088 20 10 CECDLO Cc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)nn1C ZINC001138832349 815913838 /nfs/dbraw/zinc/91/38/38/815913838.db2.gz ROCXEBUVALIHHX-UHFFFAOYSA-N 1 2 287.363 2.088 20 10 CECDLO CCOC(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001140063726 816183005 /nfs/dbraw/zinc/18/30/05/816183005.db2.gz XSRYLDMJFYZXBM-ABAIWWIYSA-N 1 2 279.311 2.059 20 10 CECDLO CCOC(=O)[C@]12C[C@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001140063726 816183008 /nfs/dbraw/zinc/18/30/08/816183008.db2.gz XSRYLDMJFYZXBM-ABAIWWIYSA-N 1 2 279.311 2.059 20 10 CECDLO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582407 816290292 /nfs/dbraw/zinc/29/02/92/816290292.db2.gz IGBAXKUQWSEBNX-VIFPVBQESA-N 1 2 285.290 2.055 20 10 CECDLO COC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582407 816290298 /nfs/dbraw/zinc/29/02/98/816290298.db2.gz IGBAXKUQWSEBNX-VIFPVBQESA-N 1 2 285.290 2.055 20 10 CECDLO C[C@@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CCC[C@@H]1O ZINC001140582811 816290809 /nfs/dbraw/zinc/29/08/09/816290809.db2.gz NFJXKMWRVIESNT-RNCFNFMXSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CCC[C@@H]1O ZINC001140582811 816290816 /nfs/dbraw/zinc/29/08/16/816290816.db2.gz NFJXKMWRVIESNT-RNCFNFMXSA-N 1 2 271.307 2.263 20 10 CECDLO COC[C@H]1CCC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140583067 816291222 /nfs/dbraw/zinc/29/12/22/816291222.db2.gz VGOXXOYOMGUMBJ-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO COC[C@H]1CCC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140583067 816291225 /nfs/dbraw/zinc/29/12/25/816291225.db2.gz VGOXXOYOMGUMBJ-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO C[N@@H+]1CCC[C@@H]2CN(Cc3c(O)cc(F)cc3F)C[C@H]21 ZINC001140585258 816294501 /nfs/dbraw/zinc/29/45/01/816294501.db2.gz BUMAKRPKSAXAAI-QMTHXVAHSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1CCC[C@@H]2CN(Cc3c(O)cc(F)cc3F)C[C@H]21 ZINC001140585258 816294506 /nfs/dbraw/zinc/29/45/06/816294506.db2.gz BUMAKRPKSAXAAI-QMTHXVAHSA-N 1 2 282.334 2.196 20 10 CECDLO COC(=O)[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CC12CC2 ZINC001140585193 816295315 /nfs/dbraw/zinc/29/53/15/816295315.db2.gz YMAUVIHKEKUGHQ-LLVKDONJSA-N 1 2 297.301 2.055 20 10 CECDLO COC(=O)[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CC12CC2 ZINC001140585193 816295319 /nfs/dbraw/zinc/29/53/19/816295319.db2.gz YMAUVIHKEKUGHQ-LLVKDONJSA-N 1 2 297.301 2.055 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)c(Cl)c1 ZINC001140921748 816410967 /nfs/dbraw/zinc/41/09/67/816410967.db2.gz OSLWLKVLCQTZTP-AWEZNQCLSA-N 1 2 286.778 2.312 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)c(Cl)c1 ZINC001140921748 816410970 /nfs/dbraw/zinc/41/09/70/816410970.db2.gz OSLWLKVLCQTZTP-AWEZNQCLSA-N 1 2 286.778 2.312 20 10 CECDLO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187723500 369211499 /nfs/dbraw/zinc/21/14/99/369211499.db2.gz VDMHTLGKUKIXQY-LKFCYVNXSA-N 1 2 289.322 2.109 20 10 CECDLO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191184852 369689321 /nfs/dbraw/zinc/68/93/21/369689321.db2.gz KYBLXYPBJSAVTJ-SECBINFHSA-N 1 2 286.322 2.093 20 10 CECDLO C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cc(F)ccc1O ZINC000359956884 371494671 /nfs/dbraw/zinc/49/46/71/371494671.db2.gz FZFTVIOIWVGDDL-JOYOIKCWSA-N 1 2 275.327 2.463 20 10 CECDLO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000189412333 284324973 /nfs/dbraw/zinc/32/49/73/284324973.db2.gz QAVQWWOZQSWLPO-BDAKNGLRSA-N 1 2 286.322 2.188 20 10 CECDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(Cl)c1O)CCO2 ZINC000279702520 374958446 /nfs/dbraw/zinc/95/84/46/374958446.db2.gz RITZWNCYFBFARK-XHDPSFHLSA-N 1 2 297.782 2.425 20 10 CECDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Cl)c1O)CCO2 ZINC000279702520 374958449 /nfs/dbraw/zinc/95/84/49/374958449.db2.gz RITZWNCYFBFARK-XHDPSFHLSA-N 1 2 297.782 2.425 20 10 CECDLO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(F)c(F)c1O ZINC000296659060 378608635 /nfs/dbraw/zinc/60/86/35/378608635.db2.gz ZPRBHFHHCVUVPK-AEJSXWLSSA-N 1 2 271.307 2.482 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2cc(F)ccc21 ZINC000492904239 380725045 /nfs/dbraw/zinc/72/50/45/380725045.db2.gz WDLHTJXMQWDEIC-DUXPYHPUSA-N 1 2 257.268 2.151 20 10 CECDLO O=C1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H](C2CC2)N1 ZINC000366927367 394954973 /nfs/dbraw/zinc/95/49/73/394954973.db2.gz XUSIQILHSHKOEB-TZMCWYRMSA-N 1 2 294.782 2.192 20 10 CECDLO COC(=O)COc1ccc([N@H+](C)CC(C)C)cc1 ZINC000183810152 395263954 /nfs/dbraw/zinc/26/39/54/395263954.db2.gz XERZOSBOLBRZMV-UHFFFAOYSA-N 1 2 251.326 2.331 20 10 CECDLO COC(=O)COc1ccc([N@@H+](C)CC(C)C)cc1 ZINC000183810152 395263960 /nfs/dbraw/zinc/26/39/60/395263960.db2.gz XERZOSBOLBRZMV-UHFFFAOYSA-N 1 2 251.326 2.331 20 10 CECDLO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000164759248 263704024 /nfs/dbraw/zinc/70/40/24/263704024.db2.gz DXRRTDYVHJKGJT-XLFHBGCDSA-N 1 2 275.801 2.292 20 10 CECDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000368974792 267215174 /nfs/dbraw/zinc/21/51/74/267215174.db2.gz PEHTXSIPDAVFJP-CDMKHQONSA-N 1 2 294.782 2.131 20 10 CECDLO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccc(Cl)c1O ZINC000368974792 267215178 /nfs/dbraw/zinc/21/51/78/267215178.db2.gz PEHTXSIPDAVFJP-CDMKHQONSA-N 1 2 294.782 2.131 20 10 CECDLO COC(=O)[C@]1(F)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271195886 277146346 /nfs/dbraw/zinc/14/63/46/277146346.db2.gz HKPXJEPOXSWXMA-ZDUSSCGKSA-N 1 2 287.718 2.133 20 10 CECDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271195886 277146347 /nfs/dbraw/zinc/14/63/47/277146347.db2.gz HKPXJEPOXSWXMA-ZDUSSCGKSA-N 1 2 287.718 2.133 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CO)C2)c1O ZINC000050132056 518279837 /nfs/dbraw/zinc/27/98/37/518279837.db2.gz JSYNLUSTSCKCJR-NSHDSACASA-N 1 2 297.782 2.453 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CO)C2)c1O ZINC000050132056 518279846 /nfs/dbraw/zinc/27/98/46/518279846.db2.gz JSYNLUSTSCKCJR-NSHDSACASA-N 1 2 297.782 2.453 20 10 CECDLO CCOc1ccc(O)c(CN2CCn3c[nH+]cc3C2)c1 ZINC000291473186 521148166 /nfs/dbraw/zinc/14/81/66/521148166.db2.gz FCPSFACNNIAUNK-UHFFFAOYSA-N 1 2 273.336 2.003 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+]2CCn3cncc3C2)c1 ZINC000291473186 521148176 /nfs/dbraw/zinc/14/81/76/521148176.db2.gz FCPSFACNNIAUNK-UHFFFAOYSA-N 1 2 273.336 2.003 20 10 CECDLO CCOc1ccc(O)c(C[N@H+]2CCn3cncc3C2)c1 ZINC000291473186 521148186 /nfs/dbraw/zinc/14/81/86/521148186.db2.gz FCPSFACNNIAUNK-UHFFFAOYSA-N 1 2 273.336 2.003 20 10 CECDLO C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)CC[S@]1=O ZINC000277766787 524291591 /nfs/dbraw/zinc/29/15/91/524291591.db2.gz VVHSPLFDWUCVNX-YPMLDQLKSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CC[S@]1=O ZINC000277766787 524291598 /nfs/dbraw/zinc/29/15/98/524291598.db2.gz VVHSPLFDWUCVNX-YPMLDQLKSA-N 1 2 287.812 2.389 20 10 CECDLO Cc1cc(Cl)cc(C[N@@H+](C)Cc2nncn2C)c1O ZINC000290131554 524860556 /nfs/dbraw/zinc/86/05/56/524860556.db2.gz JSUVRYVDQJATLY-UHFFFAOYSA-N 1 2 280.759 2.115 20 10 CECDLO Cc1cc(Cl)cc(C[N@H+](C)Cc2nncn2C)c1O ZINC000290131554 524860561 /nfs/dbraw/zinc/86/05/61/524860561.db2.gz JSUVRYVDQJATLY-UHFFFAOYSA-N 1 2 280.759 2.115 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CC(F)(F)C[C@H]2CO)cc1C ZINC000364838428 525314701 /nfs/dbraw/zinc/31/47/01/525314701.db2.gz KBDUZSXEBOJJNB-LBPRGKRZSA-N 1 2 271.307 2.211 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CC(F)(F)C[C@H]2CO)cc1C ZINC000364838428 525314704 /nfs/dbraw/zinc/31/47/04/525314704.db2.gz KBDUZSXEBOJJNB-LBPRGKRZSA-N 1 2 271.307 2.211 20 10 CECDLO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(F)c(F)c1O ZINC000367713079 525487470 /nfs/dbraw/zinc/48/74/70/525487470.db2.gz PPRVMVOPWOYEAX-WKJUBOCMSA-N 1 2 269.291 2.213 20 10 CECDLO Cc1cccc2[nH+]c(CNC(=O)C3=CC(=O)CS3)cn21 ZINC000732290824 574618305 /nfs/dbraw/zinc/61/83/05/574618305.db2.gz DBBOVQJGEMRBBJ-UHFFFAOYSA-N 1 2 287.344 2.340 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000751395658 575288176 /nfs/dbraw/zinc/28/81/76/575288176.db2.gz LWXWPQYFVSWFEP-UHFFFAOYSA-N 1 2 277.349 2.197 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751395658 575288178 /nfs/dbraw/zinc/28/81/78/575288178.db2.gz LWXWPQYFVSWFEP-UHFFFAOYSA-N 1 2 277.349 2.197 20 10 CECDLO O=C1NC2(CO1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC000753586884 575331174 /nfs/dbraw/zinc/33/11/74/575331174.db2.gz LOUUVIMQDPLCRA-UHFFFAOYSA-N 1 2 296.754 2.120 20 10 CECDLO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000896735045 630652190 /nfs/dbraw/zinc/65/21/90/630652190.db2.gz AOVMWJGDFCHQFL-RDDDGLTNSA-N 1 2 259.708 2.309 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC1(O)CCC1 ZINC000776175734 628370813 /nfs/dbraw/zinc/37/08/13/628370813.db2.gz YTERRELEJJJXFN-UHFFFAOYSA-N 1 2 259.708 2.189 20 10 CECDLO CCOC(=O)C[N@H+](CC)Cc1cc(C)cc(OC)c1O ZINC000893969341 629067933 /nfs/dbraw/zinc/06/79/33/629067933.db2.gz LPVVJDDMPDDTRC-UHFFFAOYSA-N 1 2 281.352 2.094 20 10 CECDLO CCOC(=O)C[N@@H+](CC)Cc1cc(C)cc(OC)c1O ZINC000893969341 629067937 /nfs/dbraw/zinc/06/79/37/629067937.db2.gz LPVVJDDMPDDTRC-UHFFFAOYSA-N 1 2 281.352 2.094 20 10 CECDLO CNc1cc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc[nH+]1 ZINC000894485418 629487902 /nfs/dbraw/zinc/48/79/02/629487902.db2.gz MNVMRAKQTYSJRT-LBPRGKRZSA-N 1 2 299.378 2.218 20 10 CECDLO CNc1cc(N[C@H]2CCN(c3ccc(OC)cc3)C2)[nH+]cn1 ZINC000894485418 629487908 /nfs/dbraw/zinc/48/79/08/629487908.db2.gz MNVMRAKQTYSJRT-LBPRGKRZSA-N 1 2 299.378 2.218 20 10 CECDLO CCOc1ccc(O)c(C[N@H+](C)Cc2ncc[nH]2)c1 ZINC000894583485 629545634 /nfs/dbraw/zinc/54/56/34/629545634.db2.gz BIXVLZWCDAUQTA-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2ncc[nH]2)c1 ZINC000894583485 629545637 /nfs/dbraw/zinc/54/56/37/629545637.db2.gz BIXVLZWCDAUQTA-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO C[C@]12COC[C@H]1C[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895274784 630072675 /nfs/dbraw/zinc/07/26/75/630072675.db2.gz KLHBWJMMZZRECR-YGRLFVJLSA-N 1 2 269.291 2.139 20 10 CECDLO C[C@]12COC[C@H]1C[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895274784 630072679 /nfs/dbraw/zinc/07/26/79/630072679.db2.gz KLHBWJMMZZRECR-YGRLFVJLSA-N 1 2 269.291 2.139 20 10 CECDLO CC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](C)O ZINC000824920868 635524715 /nfs/dbraw/zinc/52/47/15/635524715.db2.gz ADRZYUWHBNIKJF-WRWORJQWSA-N 1 2 261.724 2.434 20 10 CECDLO C[C@H](CO)[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000125746408 650042110 /nfs/dbraw/zinc/04/21/10/650042110.db2.gz GBZFXELFJNZQDW-BDAKNGLRSA-N 1 2 288.185 2.261 20 10 CECDLO COc1nn(C)cc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000898029424 632023541 /nfs/dbraw/zinc/02/35/41/632023541.db2.gz QVWCLIWQKKCZRG-UHFFFAOYSA-N 1 2 299.733 2.217 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCOC1 ZINC000809786601 632145876 /nfs/dbraw/zinc/14/58/76/632145876.db2.gz GFEJJYGAKMAZTC-SNVBAGLBSA-N 1 2 259.708 2.453 20 10 CECDLO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000817412436 633650828 /nfs/dbraw/zinc/65/08/28/633650828.db2.gz LIMMRGKHNSLBEV-GHMZBOCLSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000817412436 633650833 /nfs/dbraw/zinc/65/08/33/633650833.db2.gz LIMMRGKHNSLBEV-GHMZBOCLSA-N 1 2 269.772 2.496 20 10 CECDLO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)C[C@H](CO)O1 ZINC000817413248 633652477 /nfs/dbraw/zinc/65/24/77/633652477.db2.gz UTVDXHXAEJKVQW-SNVBAGLBSA-N 1 2 285.771 2.017 20 10 CECDLO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](CO)O1 ZINC000817413248 633652480 /nfs/dbraw/zinc/65/24/80/633652480.db2.gz UTVDXHXAEJKVQW-SNVBAGLBSA-N 1 2 285.771 2.017 20 10 CECDLO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(F)cc(F)c1O ZINC000903286765 635050418 /nfs/dbraw/zinc/05/04/18/635050418.db2.gz NVQQVHMMYPWMNA-ZXRGNSBTSA-N 1 2 281.302 2.497 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000827364585 636305220 /nfs/dbraw/zinc/30/52/20/636305220.db2.gz FXWURSVUEVLAMS-NWDGAFQWSA-N 1 2 267.756 2.439 20 10 CECDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960888 636470920 /nfs/dbraw/zinc/47/09/20/636470920.db2.gz YGNIEGWPDLIQTH-QWRGUYRKSA-N 1 2 273.336 2.171 20 10 CECDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960888 636470921 /nfs/dbraw/zinc/47/09/21/636470921.db2.gz YGNIEGWPDLIQTH-QWRGUYRKSA-N 1 2 273.336 2.171 20 10 CECDLO CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)[C@H](C)O ZINC000834888401 637978912 /nfs/dbraw/zinc/97/89/12/637978912.db2.gz OUJUKAOTNFMWRC-LWINAJNOSA-N 1 2 259.296 2.480 20 10 CECDLO Cc1nc2n(n1)CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000835028511 638031239 /nfs/dbraw/zinc/03/12/39/638031239.db2.gz KVWTWBLIXKJCSN-SNAWJCMRSA-N 1 2 297.406 2.182 20 10 CECDLO Cc1nc2n(n1)CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000835028511 638031244 /nfs/dbraw/zinc/03/12/44/638031244.db2.gz KVWTWBLIXKJCSN-SNAWJCMRSA-N 1 2 297.406 2.182 20 10 CECDLO Cc1ccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000876756221 650422641 /nfs/dbraw/zinc/42/26/41/650422641.db2.gz RANSMCSIDHOAMJ-GFCCVEGCSA-N 1 2 275.270 2.464 20 10 CECDLO Cc1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c1 ZINC000876756221 650422643 /nfs/dbraw/zinc/42/26/43/650422643.db2.gz RANSMCSIDHOAMJ-GFCCVEGCSA-N 1 2 275.270 2.464 20 10 CECDLO Cc1ccc2c(c1)/C(=C\c1c[nH+]c(N(C)C)n1C)C(=O)N2C ZINC000840721212 639529868 /nfs/dbraw/zinc/52/98/68/639529868.db2.gz UHNLIZPLIATEGG-NTEUORMPSA-N 1 2 296.374 2.312 20 10 CECDLO Cc1cnc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000227084066 639572956 /nfs/dbraw/zinc/57/29/56/639572956.db2.gz QMOXCTIKTLQDAE-UHFFFAOYSA-N 1 2 287.363 2.109 20 10 CECDLO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000842928895 640222455 /nfs/dbraw/zinc/22/24/55/640222455.db2.gz KSXGPGLWFDXTHH-KHQFGBGNSA-N 1 2 257.280 2.498 20 10 CECDLO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CO1 ZINC000843432999 640429908 /nfs/dbraw/zinc/42/99/08/640429908.db2.gz TUZPDRZHDCLMPA-XVKPBYJWSA-N 1 2 259.708 2.452 20 10 CECDLO CCc1cccc(C[NH2+][C@H](CC2CC2)C(=O)OC)c1O ZINC000848917195 642190881 /nfs/dbraw/zinc/19/08/81/642190881.db2.gz PSAZUMKBOBWHLB-CQSZACIVSA-N 1 2 277.364 2.386 20 10 CECDLO Cc1cc(O)c(CN[C@@H](C)C[NH+](C)C)c(Cl)c1 ZINC000850300431 642659709 /nfs/dbraw/zinc/65/97/09/642659709.db2.gz MPNRBINFZRXCKR-JTQLQIEISA-N 1 2 256.777 2.394 20 10 CECDLO CCn1nccc1C[NH2+]Cc1ccc(F)c(F)c1O ZINC000877643372 650830929 /nfs/dbraw/zinc/83/09/29/650830929.db2.gz ITBVFOVLTZIRCA-UHFFFAOYSA-N 1 2 267.279 2.177 20 10 CECDLO CCOc1ccc(C[NH+]2CC(OCC(F)F)C2)c(O)c1 ZINC000839137390 644171215 /nfs/dbraw/zinc/17/12/15/644171215.db2.gz GEUWXGIOAYQSIJ-UHFFFAOYSA-N 1 2 287.306 2.257 20 10 CECDLO NC(=O)CC1([NH2+]Cc2cc(Cl)cc(F)c2O)CCC1 ZINC000789555649 644264164 /nfs/dbraw/zinc/26/41/64/644264164.db2.gz WEHSZEXDEORHKR-UHFFFAOYSA-N 1 2 286.734 2.072 20 10 CECDLO O=C1OCC[C@@H]1CCC[NH2+]Cc1cccc(Cl)c1O ZINC000877805364 650915886 /nfs/dbraw/zinc/91/58/86/650915886.db2.gz BRZABCOHGSHIJH-JTQLQIEISA-N 1 2 283.755 2.479 20 10 CECDLO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756554954 644664725 /nfs/dbraw/zinc/66/47/25/644664725.db2.gz QPNKKMQQHMAKLE-ISVAXAHUSA-N 1 2 259.296 2.482 20 10 CECDLO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(F)cc(F)c1O ZINC000756575679 644670378 /nfs/dbraw/zinc/67/03/78/644670378.db2.gz JRFQSROYEMVXAP-RTHLEPHNSA-N 1 2 271.307 2.482 20 10 CECDLO CCC[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756576131 644670784 /nfs/dbraw/zinc/67/07/84/644670784.db2.gz JYDQYJQVOWMQDW-PSASIEDQSA-N 1 2 259.296 2.482 20 10 CECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccon2)c1 ZINC000756639293 644676566 /nfs/dbraw/zinc/67/65/66/644676566.db2.gz ZWPQQFZAXWNQCM-SECBINFHSA-N 1 2 276.292 2.018 20 10 CECDLO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2csnn2)c1O ZINC000839661811 644766988 /nfs/dbraw/zinc/76/69/88/644766988.db2.gz GMOOJCZUWKQPKX-SSDOTTSWSA-N 1 2 295.339 2.436 20 10 CECDLO CC[C@H](C)[NH+]1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000839786066 644817096 /nfs/dbraw/zinc/81/70/96/644817096.db2.gz BENZDKIDVIBOCX-JTQLQIEISA-N 1 2 268.382 2.010 20 10 CECDLO CC1(C)OCC([NH2+]Cc2cc(Cl)cc(F)c2O)CO1 ZINC000758012915 644871752 /nfs/dbraw/zinc/87/17/52/644871752.db2.gz XTVUTFWGAAZRQG-UHFFFAOYSA-N 1 2 289.734 2.426 20 10 CECDLO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[S@@]1=O ZINC000763488833 645550515 /nfs/dbraw/zinc/55/05/15/645550515.db2.gz FHIHVIYVTUNPMY-YPMLDQLKSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[S@@]1=O ZINC000763488833 645550521 /nfs/dbraw/zinc/55/05/21/645550521.db2.gz FHIHVIYVTUNPMY-YPMLDQLKSA-N 1 2 287.812 2.389 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1c(O)cccc1OC)CC(C)C ZINC000768755852 646159027 /nfs/dbraw/zinc/15/90/27/646159027.db2.gz ROSJQFZJCGOQEP-UHFFFAOYSA-N 1 2 295.379 2.422 20 10 CECDLO CCOC(=O)C[N@H+](Cc1c(O)cccc1OC)CC(C)C ZINC000768755852 646159030 /nfs/dbraw/zinc/15/90/30/646159030.db2.gz ROSJQFZJCGOQEP-UHFFFAOYSA-N 1 2 295.379 2.422 20 10 CECDLO CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000863484430 646740437 /nfs/dbraw/zinc/74/04/37/646740437.db2.gz YQXYQRGHJSPYFZ-WDEREUQCSA-N 1 2 299.758 2.184 20 10 CECDLO Oc1c(F)cc(Cl)cc1CN1CC[NH+](C2CC2)CC1 ZINC000775649449 646976012 /nfs/dbraw/zinc/97/60/12/646976012.db2.gz RMCNMPBKTQMUEI-UHFFFAOYSA-N 1 2 284.762 2.465 20 10 CECDLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000776251979 647042489 /nfs/dbraw/zinc/04/24/89/647042489.db2.gz GFOGXGKWVBTWTB-ZYHUDNBSSA-N 1 2 282.771 2.050 20 10 CECDLO CN(C)c1ccc(/C=C\C[NH+]2CCN(C)CC2)cc1 ZINC000019362636 649307249 /nfs/dbraw/zinc/30/72/49/649307249.db2.gz QBWFDYRGVGRWMZ-PLNGDYQASA-N 1 2 259.397 2.013 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000124776877 649738180 /nfs/dbraw/zinc/73/81/80/649738180.db2.gz SGGQFPMKLBAVCU-NSHDSACASA-N 1 2 269.728 2.183 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000124776877 649738183 /nfs/dbraw/zinc/73/81/83/649738183.db2.gz SGGQFPMKLBAVCU-NSHDSACASA-N 1 2 269.728 2.183 20 10 CECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)C(F)F)c1 ZINC000883399716 652455888 /nfs/dbraw/zinc/45/58/88/652455888.db2.gz UCQYXFXGZYOEAO-JGVFFNPUSA-N 1 2 273.279 2.483 20 10 CECDLO COc1ccc(C[N@H+](C)Cc2nccs2)c(O)c1 ZINC000093582820 806519488 /nfs/dbraw/zinc/51/94/88/806519488.db2.gz KQRTTYAKGSCOFG-UHFFFAOYSA-N 1 2 264.350 2.489 20 10 CECDLO COc1ccc(C[N@@H+](C)Cc2nccs2)c(O)c1 ZINC000093582820 806519493 /nfs/dbraw/zinc/51/94/93/806519493.db2.gz KQRTTYAKGSCOFG-UHFFFAOYSA-N 1 2 264.350 2.489 20 10 CECDLO CCC[N@H+](CC(=O)OCC)Cc1cc(F)c(F)cc1O ZINC001142527547 806620752 /nfs/dbraw/zinc/62/07/52/806620752.db2.gz YRUIVMYGIMUJQJ-UHFFFAOYSA-N 1 2 287.306 2.446 20 10 CECDLO CCC[N@@H+](CC(=O)OCC)Cc1cc(F)c(F)cc1O ZINC001142527547 806620754 /nfs/dbraw/zinc/62/07/54/806620754.db2.gz YRUIVMYGIMUJQJ-UHFFFAOYSA-N 1 2 287.306 2.446 20 10 CECDLO Cc1ccc(C[NH2+]Cc2cccc(Cl)c2O)nn1 ZINC000396724325 802427613 /nfs/dbraw/zinc/42/76/13/802427613.db2.gz VCGILLZPTQXWLG-UHFFFAOYSA-N 1 2 263.728 2.434 20 10 CECDLO C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703417378 809646021 /nfs/dbraw/zinc/64/60/21/809646021.db2.gz KXFLLHLRBYMSKD-SECBINFHSA-N 1 2 267.279 2.045 20 10 CECDLO C[N@@H+](Cc1ccc(F)c(F)c1O)C[C@@H]1CCCO1 ZINC000703586851 809666302 /nfs/dbraw/zinc/66/63/02/809666302.db2.gz STYOEOFXHJMZAW-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO C[N@H+](Cc1ccc(F)c(F)c1O)C[C@@H]1CCCO1 ZINC000703586851 809666306 /nfs/dbraw/zinc/66/63/06/809666306.db2.gz STYOEOFXHJMZAW-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO CC(C)[C@](C)(CO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708482213 809919903 /nfs/dbraw/zinc/91/99/03/809919903.db2.gz XDFKUBNADNBABL-ZDUSSCGKSA-N 1 2 259.296 2.167 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000708441908 809931352 /nfs/dbraw/zinc/93/13/52/809931352.db2.gz LYIOOSRHGWOMIV-KOLCDFICSA-N 1 2 269.291 2.139 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000708441908 809931355 /nfs/dbraw/zinc/93/13/55/809931355.db2.gz LYIOOSRHGWOMIV-KOLCDFICSA-N 1 2 269.291 2.139 20 10 CECDLO CC(C)C[C@@H](C(=O)NCc1ccc(N)cc1)n1cc[nH+]c1 ZINC001122445430 815412693 /nfs/dbraw/zinc/41/26/93/815412693.db2.gz RTFDJSXNORLCEX-HNNXBMFYSA-N 1 2 286.379 2.369 20 10 CECDLO CC(C)[C@H]1C[N@H+](Cc2c(O)cccc2F)CCO1 ZINC001137840207 815694008 /nfs/dbraw/zinc/69/40/08/815694008.db2.gz SSSZIPGBKHNQLL-CQSZACIVSA-N 1 2 253.317 2.388 20 10 CECDLO CC(C)[C@H]1C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137840207 815694015 /nfs/dbraw/zinc/69/40/15/815694015.db2.gz SSSZIPGBKHNQLL-CQSZACIVSA-N 1 2 253.317 2.388 20 10 CECDLO Cc1[nH+]cc2n1CCN(Cc1cccc(F)c1O)C2 ZINC001138123776 815731749 /nfs/dbraw/zinc/73/17/49/815731749.db2.gz LKVQKMFXQBLRIP-UHFFFAOYSA-N 1 2 261.300 2.052 20 10 CECDLO COc1cc2c(cn1)CC[N@H+](Cc1cccc(F)c1O)C2 ZINC001138130634 815735863 /nfs/dbraw/zinc/73/58/63/815735863.db2.gz DSPUYKFSNYZQLS-UHFFFAOYSA-N 1 2 288.322 2.493 20 10 CECDLO COc1cc2c(cn1)CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001138130634 815735867 /nfs/dbraw/zinc/73/58/67/815735867.db2.gz DSPUYKFSNYZQLS-UHFFFAOYSA-N 1 2 288.322 2.493 20 10 CECDLO O=C1CC[N@H+](Cc2cc(F)ccc2O)CC[C@H]1F ZINC001140058179 816180672 /nfs/dbraw/zinc/18/06/72/816180672.db2.gz TVPMZZMGQZBBDB-LLVKDONJSA-N 1 2 255.264 2.034 20 10 CECDLO O=C1CC[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1F ZINC001140058179 816180674 /nfs/dbraw/zinc/18/06/74/816180674.db2.gz TVPMZZMGQZBBDB-LLVKDONJSA-N 1 2 255.264 2.034 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140337866 816237137 /nfs/dbraw/zinc/23/71/37/816237137.db2.gz JZMXZLAKEPTDNR-STQMWFEESA-N 1 2 291.725 2.290 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140337866 816237146 /nfs/dbraw/zinc/23/71/46/816237146.db2.gz JZMXZLAKEPTDNR-STQMWFEESA-N 1 2 291.725 2.290 20 10 CECDLO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140462942 816259331 /nfs/dbraw/zinc/25/93/31/816259331.db2.gz OUPVKVURRWYESI-STQMWFEESA-N 1 2 291.725 2.290 20 10 CECDLO Oc1cc(Cl)ccc1C[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140462942 816259338 /nfs/dbraw/zinc/25/93/38/816259338.db2.gz OUPVKVURRWYESI-STQMWFEESA-N 1 2 291.725 2.290 20 10 CECDLO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461694 816259407 /nfs/dbraw/zinc/25/94/07/816259407.db2.gz RDSXHKNQHQVBAS-CYBMUJFWSA-N 1 2 287.718 2.133 20 10 CECDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461694 816259416 /nfs/dbraw/zinc/25/94/16/816259416.db2.gz RDSXHKNQHQVBAS-CYBMUJFWSA-N 1 2 287.718 2.133 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001140583483 816293442 /nfs/dbraw/zinc/29/34/42/816293442.db2.gz IQSXOINLLIFQMK-NSHDSACASA-N 1 2 294.305 2.099 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001140583483 816293443 /nfs/dbraw/zinc/29/34/43/816293443.db2.gz IQSXOINLLIFQMK-NSHDSACASA-N 1 2 294.305 2.099 20 10 CECDLO c1c(C[N@@H+]2CCC23COC3)cc2c3c1CCCN3CCC2 ZINC001141076200 816472150 /nfs/dbraw/zinc/47/21/50/816472150.db2.gz MKXMZIIPZCZFHY-UHFFFAOYSA-N 1 2 284.403 2.360 20 10 CECDLO c1c(C[N@H+]2CCC23COC3)cc2c3c1CCCN3CCC2 ZINC001141076200 816472152 /nfs/dbraw/zinc/47/21/52/816472152.db2.gz MKXMZIIPZCZFHY-UHFFFAOYSA-N 1 2 284.403 2.360 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001142512829 816678733 /nfs/dbraw/zinc/67/87/33/816678733.db2.gz MTFXUFVXMDRVAX-DXBFQKDVSA-N 1 2 257.255 2.460 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001142512829 816678736 /nfs/dbraw/zinc/67/87/36/816678736.db2.gz MTFXUFVXMDRVAX-DXBFQKDVSA-N 1 2 257.255 2.460 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001142531064 816680711 /nfs/dbraw/zinc/68/07/11/816680711.db2.gz OJZAWZUYWXMHRS-ZDUSSCGKSA-N 1 2 255.264 2.035 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@]12CCOC2 ZINC001142531064 816680714 /nfs/dbraw/zinc/68/07/14/816680714.db2.gz OJZAWZUYWXMHRS-ZDUSSCGKSA-N 1 2 255.264 2.035 20 10 CECDLO COC(=O)[C@@H]1CC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104733 816785670 /nfs/dbraw/zinc/78/56/70/816785670.db2.gz YSCVJAAVBBWRNB-ZDUSSCGKSA-N 1 2 277.364 2.437 20 10 CECDLO COC(=O)[C@@H]1CC[N@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143104733 816785675 /nfs/dbraw/zinc/78/56/75/816785675.db2.gz YSCVJAAVBBWRNB-ZDUSSCGKSA-N 1 2 277.364 2.437 20 10 CECDLO Cc1nonc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC001179497961 816871387 /nfs/dbraw/zinc/87/13/87/816871387.db2.gz SGTQAQIWDLLDEQ-UHFFFAOYSA-N 1 2 270.336 2.468 20 10 CECDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)C(=O)N(C)C ZINC000036794309 361858287 /nfs/dbraw/zinc/85/82/87/361858287.db2.gz PTMQEVNEGRCWMM-ZETCQYMHSA-N 1 2 291.178 2.265 20 10 CECDLO Cn1cnnc1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000038007556 361979203 /nfs/dbraw/zinc/97/92/03/361979203.db2.gz ULCLGWVRKRARCJ-UHFFFAOYSA-N 1 2 287.150 2.117 20 10 CECDLO COC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H](C)O1 ZINC000188360531 369343478 /nfs/dbraw/zinc/34/34/78/369343478.db2.gz OMNPVGSSDCLINV-ZYHUDNBSSA-N 1 2 285.771 2.281 20 10 CECDLO COC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H](C)O1 ZINC000188360531 369343485 /nfs/dbraw/zinc/34/34/85/369343485.db2.gz OMNPVGSSDCLINV-ZYHUDNBSSA-N 1 2 285.771 2.281 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1O ZINC000218348581 370208522 /nfs/dbraw/zinc/20/85/22/370208522.db2.gz HGGGFZFMYJEXCI-VHSXEESVSA-N 1 2 281.327 2.343 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1O ZINC000218348581 370208523 /nfs/dbraw/zinc/20/85/23/370208523.db2.gz HGGGFZFMYJEXCI-VHSXEESVSA-N 1 2 281.327 2.343 20 10 CECDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000365446121 372860771 /nfs/dbraw/zinc/86/07/71/372860771.db2.gz GQVUBLDEHKSZSM-XTZNXHDOSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cc(Cl)ccc1O ZINC000365446121 372860775 /nfs/dbraw/zinc/86/07/75/372860775.db2.gz GQVUBLDEHKSZSM-XTZNXHDOSA-N 1 2 287.812 2.389 20 10 CECDLO CCC[C@@](C)([NH2+]Cc1cccc(F)c1O)C(=O)OC ZINC000273827323 373773948 /nfs/dbraw/zinc/77/39/48/373773948.db2.gz FBRTVYGOIDHBNN-CQSZACIVSA-N 1 2 269.316 2.353 20 10 CECDLO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(Cl)c(Cl)c1O ZINC000295982601 378381341 /nfs/dbraw/zinc/38/13/41/378381341.db2.gz OWWPCNURXXSAJR-BDODKLCJSA-N 1 2 292.162 2.109 20 10 CECDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000271196723 394751578 /nfs/dbraw/zinc/75/15/78/394751578.db2.gz OAABMCWMIRXIPT-VLXJIEOASA-N 1 2 280.437 2.094 20 10 CECDLO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000271196723 394751580 /nfs/dbraw/zinc/75/15/80/394751580.db2.gz OAABMCWMIRXIPT-VLXJIEOASA-N 1 2 280.437 2.094 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000124849584 394839821 /nfs/dbraw/zinc/83/98/21/394839821.db2.gz WQJAUNNIOAANEU-JOYOIKCWSA-N 1 2 255.745 2.296 20 10 CECDLO CC[C@@H]([NH2+][C@@H](CCO)COC)c1cccc(Cl)c1O ZINC000287740476 395046046 /nfs/dbraw/zinc/04/60/46/395046046.db2.gz PQLNGJJXAPRRGW-GXFFZTMASA-N 1 2 287.787 2.484 20 10 CECDLO COc1cc(N(C)Cc2c[nH+]cn2C)cc(OC)c1OC ZINC000177128821 395146120 /nfs/dbraw/zinc/14/61/20/395146120.db2.gz LPRSWLXBNXJGSV-UHFFFAOYSA-N 1 2 291.351 2.082 20 10 CECDLO CCCN(Cc1ccccc1O)c1[nH+]cnc2c1cnn2C ZINC000178787294 395173551 /nfs/dbraw/zinc/17/35/51/395173551.db2.gz SRYWFJLROCYZMR-UHFFFAOYSA-N 1 2 297.362 2.486 20 10 CECDLO Cc1ccc(O)c(C[NH+]2CC(OC(=O)NC(C)C)C2)c1 ZINC000297394361 395341164 /nfs/dbraw/zinc/34/11/64/395341164.db2.gz KVYQGZNQYXHRSR-UHFFFAOYSA-N 1 2 278.352 2.019 20 10 CECDLO C[C@@H](O)CC[NH2+]Cc1cccc(Br)c1O ZINC000078780341 177387666 /nfs/dbraw/zinc/38/76/66/177387666.db2.gz CFYCCYLAKRCYEG-MRVPVSSYSA-N 1 2 274.158 2.015 20 10 CECDLO COc1cc(O)c(C[N@H+](C)Cc2cc(C)on2)cc1OC ZINC000159822157 261195027 /nfs/dbraw/zinc/19/50/27/261195027.db2.gz XIWGEZHFIJOGCO-UHFFFAOYSA-N 1 2 292.335 2.338 20 10 CECDLO COc1cc(O)c(C[N@@H+](C)Cc2cc(C)on2)cc1OC ZINC000159822157 261195028 /nfs/dbraw/zinc/19/50/28/261195028.db2.gz XIWGEZHFIJOGCO-UHFFFAOYSA-N 1 2 292.335 2.338 20 10 CECDLO COc1cc(O)c(C[N@H+](C)Cc2cscn2)cc1OC ZINC000159933624 261198964 /nfs/dbraw/zinc/19/89/64/261198964.db2.gz LNDYVZBBPYMRML-UHFFFAOYSA-N 1 2 294.376 2.498 20 10 CECDLO COc1cc(O)c(C[N@@H+](C)Cc2cscn2)cc1OC ZINC000159933624 261198966 /nfs/dbraw/zinc/19/89/66/261198966.db2.gz LNDYVZBBPYMRML-UHFFFAOYSA-N 1 2 294.376 2.498 20 10 CECDLO COc1cc(OC)cc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)c1 ZINC000493671613 262228876 /nfs/dbraw/zinc/22/88/76/262228876.db2.gz BMXHIHAXLSUWNS-SNAWJCMRSA-N 1 2 287.319 2.103 20 10 CECDLO C[C@H](Cn1cccn1)[NH2+]Cc1cccc(Cl)c1O ZINC000124700071 263919140 /nfs/dbraw/zinc/91/91/40/263919140.db2.gz ZEERIPUPRGCELZ-SNVBAGLBSA-N 1 2 265.744 2.420 20 10 CECDLO O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]2CCCCN12 ZINC000367348122 266596993 /nfs/dbraw/zinc/59/69/93/266596993.db2.gz DVNCKMSBGHOGDT-QWHCGFSZSA-N 1 2 294.782 2.289 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ncon2)c1 ZINC000371373553 267396122 /nfs/dbraw/zinc/39/61/22/267396122.db2.gz NCTYVHREPZHGKD-LBPRGKRZSA-N 1 2 259.309 2.421 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ncon2)c1 ZINC000371373553 267396125 /nfs/dbraw/zinc/39/61/25/267396125.db2.gz NCTYVHREPZHGKD-LBPRGKRZSA-N 1 2 259.309 2.421 20 10 CECDLO Cc1cnn(C2C[NH+](Cc3cc(F)ccc3O)C2)c1 ZINC000378497629 329053332 /nfs/dbraw/zinc/05/33/32/329053332.db2.gz NSKCXCWYFJHBJE-UHFFFAOYSA-N 1 2 261.300 2.093 20 10 CECDLO COCCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000044693700 524010350 /nfs/dbraw/zinc/01/03/50/524010350.db2.gz KMPZDRFUJRTIJG-UHFFFAOYSA-N 1 2 294.178 2.452 20 10 CECDLO CCc1cc(NCCc2ccc(O)c(O)c2)nc[nH+]1 ZINC000749287629 575212140 /nfs/dbraw/zinc/21/21/40/575212140.db2.gz SVODWGCPWRINIJ-UHFFFAOYSA-N 1 2 259.309 2.105 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC000779199526 623398557 /nfs/dbraw/zinc/39/85/57/623398557.db2.gz CZLGFXCKJHLAOM-PRHODGIISA-N 1 2 273.735 2.387 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC000779199526 623398565 /nfs/dbraw/zinc/39/85/65/623398565.db2.gz CZLGFXCKJHLAOM-PRHODGIISA-N 1 2 273.735 2.387 20 10 CECDLO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000164498913 627381588 /nfs/dbraw/zinc/38/15/88/627381588.db2.gz JRKIYGVWWQLXSL-RKDXNWHRSA-N 1 2 288.185 2.404 20 10 CECDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(F)cc(F)c1O)CCO2 ZINC000894603523 629548670 /nfs/dbraw/zinc/54/86/70/629548670.db2.gz ZJNMPHYIKJQCKE-MEBBXXQBSA-N 1 2 299.317 2.050 20 10 CECDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(F)cc(F)c1O)CCO2 ZINC000894603523 629548673 /nfs/dbraw/zinc/54/86/73/629548673.db2.gz ZJNMPHYIKJQCKE-MEBBXXQBSA-N 1 2 299.317 2.050 20 10 CECDLO C[C@]12COC[C@@H]1C[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895274781 630072813 /nfs/dbraw/zinc/07/28/13/630072813.db2.gz KLHBWJMMZZRECR-HZMBPMFUSA-N 1 2 269.291 2.139 20 10 CECDLO C[C@]12COC[C@@H]1C[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895274781 630072818 /nfs/dbraw/zinc/07/28/18/630072818.db2.gz KLHBWJMMZZRECR-HZMBPMFUSA-N 1 2 269.291 2.139 20 10 CECDLO OC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000897358191 631183527 /nfs/dbraw/zinc/18/35/27/631183527.db2.gz UIQJYGHVHBJYJZ-GVJMRKKJSA-N 1 2 259.708 2.045 20 10 CECDLO CC[C@@H]([NH2+]Cc1cn(C)nn1)c1cccc(Cl)c1O ZINC000806158760 631721989 /nfs/dbraw/zinc/72/19/89/631721989.db2.gz QTYXVUKWBOSKDP-GFCCVEGCSA-N 1 2 280.759 2.415 20 10 CECDLO CC[N@H+](CCC(=O)NC)Cc1cc(Cl)cc(F)c1O ZINC000897710176 631881311 /nfs/dbraw/zinc/88/13/11/631881311.db2.gz OPOAHDVDEPVWOX-UHFFFAOYSA-N 1 2 288.750 2.143 20 10 CECDLO CC[N@@H+](CCC(=O)NC)Cc1cc(Cl)cc(F)c1O ZINC000897710176 631881319 /nfs/dbraw/zinc/88/13/19/631881319.db2.gz OPOAHDVDEPVWOX-UHFFFAOYSA-N 1 2 288.750 2.143 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@H](C)[S@]1=O ZINC000809699236 632130362 /nfs/dbraw/zinc/13/03/62/632130362.db2.gz LZUVTJYITZRZLD-XXRNEEKGSA-N 1 2 297.420 2.132 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)C[C@H](C)[S@]1=O ZINC000809699236 632130365 /nfs/dbraw/zinc/13/03/65/632130365.db2.gz LZUVTJYITZRZLD-XXRNEEKGSA-N 1 2 297.420 2.132 20 10 CECDLO COc1cccc(CNc2cc(NC3CC3)[nH+]cn2)c1O ZINC000840255549 632535555 /nfs/dbraw/zinc/53/55/55/632535555.db2.gz FMTVZDSPQHFTMZ-UHFFFAOYSA-N 1 2 286.335 2.377 20 10 CECDLO COc1cccc(CNc2cc(NC3CC3)nc[nH+]2)c1O ZINC000840255549 632535557 /nfs/dbraw/zinc/53/55/57/632535557.db2.gz FMTVZDSPQHFTMZ-UHFFFAOYSA-N 1 2 286.335 2.377 20 10 CECDLO Cc1cc(C[N@H+]2CCN(C(C)C)C(=O)C2)ccc1N(C)C ZINC000815086321 632957436 /nfs/dbraw/zinc/95/74/36/632957436.db2.gz HDOZVBGWPUXVHG-UHFFFAOYSA-N 1 2 289.423 2.114 20 10 CECDLO Cc1cc(C[N@@H+]2CCN(C(C)C)C(=O)C2)ccc1N(C)C ZINC000815086321 632957438 /nfs/dbraw/zinc/95/74/38/632957438.db2.gz HDOZVBGWPUXVHG-UHFFFAOYSA-N 1 2 289.423 2.114 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000816574573 633415931 /nfs/dbraw/zinc/41/59/31/633415931.db2.gz MNSNAXSLJYOWAU-SNVBAGLBSA-N 1 2 295.745 2.486 20 10 CECDLO Oc1c(Br)cccc1C[NH2+]CCn1ccnc1 ZINC000042412613 633974543 /nfs/dbraw/zinc/97/45/43/633974543.db2.gz JYMUOQRZWHQQCD-UHFFFAOYSA-N 1 2 296.168 2.141 20 10 CECDLO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(F)F ZINC000824508140 635438618 /nfs/dbraw/zinc/43/86/18/635438618.db2.gz ANJCVFCAPZMOSP-MRVPVSSYSA-N 1 2 259.252 2.254 20 10 CECDLO Oc1ccc(Cl)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000824602752 635461508 /nfs/dbraw/zinc/46/15/08/635461508.db2.gz DSPOBAOARCSGGU-UHFFFAOYSA-N 1 2 278.743 2.331 20 10 CECDLO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000824708919 635482280 /nfs/dbraw/zinc/48/22/80/635482280.db2.gz LHLNRNMUPVCHRA-GXFFZTMASA-N 1 2 285.771 2.187 20 10 CECDLO C[N@@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H]1COCCO1 ZINC000827140090 636233743 /nfs/dbraw/zinc/23/37/43/636233743.db2.gz HRGZVZMZLOMLEG-SECBINFHSA-N 1 2 289.734 2.032 20 10 CECDLO C[N@H+](Cc1c(O)ccc(Cl)c1F)C[C@@H]1COCCO1 ZINC000827140090 636233750 /nfs/dbraw/zinc/23/37/50/636233750.db2.gz HRGZVZMZLOMLEG-SECBINFHSA-N 1 2 289.734 2.032 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876555693 650323747 /nfs/dbraw/zinc/32/37/47/650323747.db2.gz DCONNEKUYVXDDE-SNVBAGLBSA-N 1 2 285.290 2.055 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876555693 650323748 /nfs/dbraw/zinc/32/37/48/650323748.db2.gz DCONNEKUYVXDDE-SNVBAGLBSA-N 1 2 285.290 2.055 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841893237 639901668 /nfs/dbraw/zinc/90/16/68/639901668.db2.gz BYPSNPSGLSHUMX-SNVBAGLBSA-N 1 2 290.741 2.475 20 10 CECDLO C[C@@]1(O)C[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000841892018 639901673 /nfs/dbraw/zinc/90/16/73/639901673.db2.gz RULYSMBCIZFZPW-WVSHTKLVSA-N 1 2 286.169 2.158 20 10 CECDLO COC(=O)[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(OC)c1O ZINC000843423820 640424410 /nfs/dbraw/zinc/42/44/10/640424410.db2.gz RMHSLEGVQGEVTI-GFCCVEGCSA-N 1 2 295.379 2.468 20 10 CECDLO CCCCC[N@H+](CC(N)=O)Cc1ccc(F)c(F)c1O ZINC000877182156 650613802 /nfs/dbraw/zinc/61/38/02/650613802.db2.gz JZZKDBNWXSXVKC-UHFFFAOYSA-N 1 2 286.322 2.148 20 10 CECDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc(F)c(F)c1O ZINC000877182156 650613804 /nfs/dbraw/zinc/61/38/04/650613804.db2.gz JZZKDBNWXSXVKC-UHFFFAOYSA-N 1 2 286.322 2.148 20 10 CECDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877407468 650709794 /nfs/dbraw/zinc/70/97/94/650709794.db2.gz RHHIUNXDXKYXAW-UWVGGRQHSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877407468 650709796 /nfs/dbraw/zinc/70/97/96/650709796.db2.gz RHHIUNXDXKYXAW-UWVGGRQHSA-N 1 2 270.323 2.195 20 10 CECDLO COC(=O)[C@H]([NH2+]Cc1cccc(C)c1O)C(C)(C)C ZINC000083482117 642162144 /nfs/dbraw/zinc/16/21/44/642162144.db2.gz PQOBLNYNEUNOFH-ZDUSSCGKSA-N 1 2 265.353 2.378 20 10 CECDLO COc1cccc(C[N@H+](C)[C@H](C)c2nc(C)no2)c1O ZINC000848926440 642198089 /nfs/dbraw/zinc/19/80/89/642198089.db2.gz XTVSLIHQTLKBCF-SECBINFHSA-N 1 2 277.324 2.285 20 10 CECDLO COc1cccc(C[N@@H+](C)[C@H](C)c2nc(C)no2)c1O ZINC000848926440 642198093 /nfs/dbraw/zinc/19/80/93/642198093.db2.gz XTVSLIHQTLKBCF-SECBINFHSA-N 1 2 277.324 2.285 20 10 CECDLO Cc1c(C[N@H+](C)Cc2ccc(F)c(F)c2O)cnn1C ZINC000877487593 650745771 /nfs/dbraw/zinc/74/57/71/650745771.db2.gz XUBGYKBTPYEONH-UHFFFAOYSA-N 1 2 281.306 2.344 20 10 CECDLO Cc1c(C[N@@H+](C)Cc2ccc(F)c(F)c2O)cnn1C ZINC000877487593 650745773 /nfs/dbraw/zinc/74/57/73/650745773.db2.gz XUBGYKBTPYEONH-UHFFFAOYSA-N 1 2 281.306 2.344 20 10 CECDLO CCn1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)nn1 ZINC000850522344 642739366 /nfs/dbraw/zinc/73/93/66/642739366.db2.gz OVFJTOGZIVJXMU-MRVPVSSYSA-N 1 2 282.294 2.133 20 10 CECDLO Cc1noc(C[N@@H+](C)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000851841317 643187068 /nfs/dbraw/zinc/18/70/68/643187068.db2.gz OZCWOLYJFPSCFN-UHFFFAOYSA-N 1 2 277.280 2.229 20 10 CECDLO Cc1noc(C[N@H+](C)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000851841317 643187071 /nfs/dbraw/zinc/18/70/71/643187071.db2.gz OZCWOLYJFPSCFN-UHFFFAOYSA-N 1 2 277.280 2.229 20 10 CECDLO COc1c(O)c(C[NH+]2CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000877717610 650868320 /nfs/dbraw/zinc/86/83/20/650868320.db2.gz MJFAMBGUCTXSIA-UHFFFAOYSA-N 1 2 266.297 2.151 20 10 CECDLO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2nc(C)no2)c1O ZINC000754685960 644414749 /nfs/dbraw/zinc/41/47/49/644414749.db2.gz LSGLZGFNEOYHJS-ZETCQYMHSA-N 1 2 293.298 2.276 20 10 CECDLO CC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756365760 644636570 /nfs/dbraw/zinc/63/65/70/644636570.db2.gz ZMTJRHUGSGUMMI-VIFPVBQESA-N 1 2 298.333 2.332 20 10 CECDLO CC(C)C(=O)NCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756374106 644638242 /nfs/dbraw/zinc/63/82/42/644638242.db2.gz XWTAVYZZDDAPQC-VIFPVBQESA-N 1 2 286.322 2.093 20 10 CECDLO CC[C@@H](O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756657201 644679747 /nfs/dbraw/zinc/67/97/47/644679747.db2.gz BGPXOWIDUJLTRN-PSASIEDQSA-N 1 2 259.296 2.482 20 10 CECDLO C[C@H]([NH2+]Cc1ccn(C)n1)c1cc(F)cc(F)c1O ZINC000756778734 644691613 /nfs/dbraw/zinc/69/16/13/644691613.db2.gz OXUHAYQCALAAMY-QMMMGPOBSA-N 1 2 267.279 2.255 20 10 CECDLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)[nH]1 ZINC000839661336 644767313 /nfs/dbraw/zinc/76/73/13/644767313.db2.gz MUSZAKZTLPFNSA-HNNXBMFYSA-N 1 2 299.422 2.477 20 10 CECDLO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)[nH]1 ZINC000839661336 644767318 /nfs/dbraw/zinc/76/73/18/644767318.db2.gz MUSZAKZTLPFNSA-HNNXBMFYSA-N 1 2 299.422 2.477 20 10 CECDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000839661336 644767323 /nfs/dbraw/zinc/76/73/23/644767323.db2.gz MUSZAKZTLPFNSA-HNNXBMFYSA-N 1 2 299.422 2.477 20 10 CECDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000839661336 644767326 /nfs/dbraw/zinc/76/73/26/644767326.db2.gz MUSZAKZTLPFNSA-HNNXBMFYSA-N 1 2 299.422 2.477 20 10 CECDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n[nH]1 ZINC000839661336 644767331 /nfs/dbraw/zinc/76/73/31/644767331.db2.gz MUSZAKZTLPFNSA-HNNXBMFYSA-N 1 2 299.422 2.477 20 10 CECDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n[nH]1 ZINC000839661336 644767336 /nfs/dbraw/zinc/76/73/36/644767336.db2.gz MUSZAKZTLPFNSA-HNNXBMFYSA-N 1 2 299.422 2.477 20 10 CECDLO CC[N@@H+]1C[C@@H](C)N(C(=O)C2=CC(=O)CS2)C[C@H]1C ZINC000766251665 645864444 /nfs/dbraw/zinc/86/44/44/645864444.db2.gz XHBONJZCOXNXCB-NXEZZACHSA-N 1 2 268.382 2.008 20 10 CECDLO CC[N@H+]1C[C@@H](C)N(C(=O)C2=CC(=O)CS2)C[C@H]1C ZINC000766251665 645864454 /nfs/dbraw/zinc/86/44/54/645864454.db2.gz XHBONJZCOXNXCB-NXEZZACHSA-N 1 2 268.382 2.008 20 10 CECDLO Cc1cc(O)c(C[N@H+](C)Cc2nnc3n2CCC3)cc1C ZINC000768224070 646098118 /nfs/dbraw/zinc/09/81/18/646098118.db2.gz PYWXZERBOCGLIF-UHFFFAOYSA-N 1 2 286.379 2.179 20 10 CECDLO Cc1cc(O)c(C[N@@H+](C)Cc2nnc3n2CCC3)cc1C ZINC000768224070 646098124 /nfs/dbraw/zinc/09/81/24/646098124.db2.gz PYWXZERBOCGLIF-UHFFFAOYSA-N 1 2 286.379 2.179 20 10 CECDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000768537692 646137121 /nfs/dbraw/zinc/13/71/21/646137121.db2.gz WONWUTQQKWNXNR-OAHLLOKOSA-N 1 2 294.370 2.419 20 10 CECDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000768537692 646137124 /nfs/dbraw/zinc/13/71/24/646137124.db2.gz WONWUTQQKWNXNR-OAHLLOKOSA-N 1 2 294.370 2.419 20 10 CECDLO O=C1OCC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000770389696 646384588 /nfs/dbraw/zinc/38/45/88/646384588.db2.gz IASOBMNVJGIZTB-JTQLQIEISA-N 1 2 296.754 2.072 20 10 CECDLO O=C1OCC[C@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000770389696 646384594 /nfs/dbraw/zinc/38/45/94/646384594.db2.gz IASOBMNVJGIZTB-JTQLQIEISA-N 1 2 296.754 2.072 20 10 CECDLO CN1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2O)CCC1=O ZINC000862428942 646456609 /nfs/dbraw/zinc/45/66/09/646456609.db2.gz XNHUVEWCJWPJKD-NSHDSACASA-N 1 2 282.771 2.098 20 10 CECDLO CN1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2O)CCC1=O ZINC000862428942 646456613 /nfs/dbraw/zinc/45/66/13/646456613.db2.gz XNHUVEWCJWPJKD-NSHDSACASA-N 1 2 282.771 2.098 20 10 CECDLO CCN(C)c1ccc(C[N@H+](C)CCS(=O)(=O)CC)cc1 ZINC000773808693 646777042 /nfs/dbraw/zinc/77/70/42/646777042.db2.gz LSQFQUTZCVJBFC-UHFFFAOYSA-N 1 2 298.452 2.009 20 10 CECDLO CCN(C)c1ccc(C[N@@H+](C)CCS(=O)(=O)CC)cc1 ZINC000773808693 646777043 /nfs/dbraw/zinc/77/70/43/646777043.db2.gz LSQFQUTZCVJBFC-UHFFFAOYSA-N 1 2 298.452 2.009 20 10 CECDLO COc1c(O)c(C[N@@H+]2CC[C@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058541 646920470 /nfs/dbraw/zinc/92/04/70/646920470.db2.gz VUYPUEZRLUGKGT-GXSJLCMTSA-N 1 2 298.314 2.489 20 10 CECDLO COc1c(O)c(C[N@H+]2CC[C@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058541 646920476 /nfs/dbraw/zinc/92/04/76/646920476.db2.gz VUYPUEZRLUGKGT-GXSJLCMTSA-N 1 2 298.314 2.489 20 10 CECDLO CCc1noc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)n1 ZINC000775369326 646946518 /nfs/dbraw/zinc/94/65/18/646946518.db2.gz OCJREDWTVZIKTF-VIFPVBQESA-N 1 2 277.324 2.197 20 10 CECDLO CC[NH+]1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775638246 646975000 /nfs/dbraw/zinc/97/50/00/646975000.db2.gz FFGUSTIWGLOXNJ-UHFFFAOYSA-N 1 2 272.751 2.322 20 10 CECDLO Cc1cc(Cl)cc(C[N@H+]2CCN(C)C(=O)C2(C)C)c1O ZINC000775717151 646983999 /nfs/dbraw/zinc/98/39/99/646983999.db2.gz MTDPDEZVWXYOSU-UHFFFAOYSA-N 1 2 296.798 2.407 20 10 CECDLO Cc1cc(Cl)cc(C[N@@H+]2CCN(C)C(=O)C2(C)C)c1O ZINC000775717151 646984001 /nfs/dbraw/zinc/98/40/01/646984001.db2.gz MTDPDEZVWXYOSU-UHFFFAOYSA-N 1 2 296.798 2.407 20 10 CECDLO COc1cccc(O)c1CNc1ccc(N(C)C)c[nH+]1 ZINC000776250011 647041814 /nfs/dbraw/zinc/04/18/14/647041814.db2.gz CCIAFDJBHACTKC-UHFFFAOYSA-N 1 2 273.336 2.474 20 10 CECDLO COCC1([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000776251607 647042808 /nfs/dbraw/zinc/04/28/08/647042808.db2.gz OBPPKLUDMWDXEB-UHFFFAOYSA-N 1 2 259.708 2.453 20 10 CECDLO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(F)cc(F)c1O ZINC000866441951 647788320 /nfs/dbraw/zinc/78/83/20/647788320.db2.gz ARJZFJHCPDOSMV-QUBYGPBYSA-N 1 2 281.249 2.337 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000789599850 648322497 /nfs/dbraw/zinc/32/24/97/648322497.db2.gz OLKDQTBBMMLONX-QMMMGPOBSA-N 1 2 287.640 2.198 20 10 CECDLO C[C@@H]([NH2+]CCCCCO)c1cc(F)cc(F)c1O ZINC000790498271 648423256 /nfs/dbraw/zinc/42/32/56/648423256.db2.gz QYGQWUMSIJJEKD-SECBINFHSA-N 1 2 259.296 2.484 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC001142527565 806620473 /nfs/dbraw/zinc/62/04/73/806620473.db2.gz ZKDLYHGCXFMGTD-UHFFFAOYSA-N 1 2 285.290 2.009 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC001142527565 806620479 /nfs/dbraw/zinc/62/04/79/806620479.db2.gz ZKDLYHGCXFMGTD-UHFFFAOYSA-N 1 2 285.290 2.009 20 10 CECDLO Cc1cc(C[NH2+]Cc2ccc(F)c(F)c2O)n(C)n1 ZINC000703259230 809633275 /nfs/dbraw/zinc/63/32/75/809633275.db2.gz URCQRDSREMOTRZ-UHFFFAOYSA-N 1 2 267.279 2.002 20 10 CECDLO C[C@H]1CN(Cc2ccc(F)c(F)c2O)C[C@@H]1[NH+](C)C ZINC000703501956 809652733 /nfs/dbraw/zinc/65/27/33/809652733.db2.gz MGRKGCBPXCSPRJ-CABZTGNLSA-N 1 2 270.323 2.052 20 10 CECDLO CC(C)N(C)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708443519 809931176 /nfs/dbraw/zinc/93/11/76/809931176.db2.gz OVXFZAJIEJNOSB-UHFFFAOYSA-N 1 2 258.312 2.100 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CC1=CCOCC1 ZINC000397847219 813641264 /nfs/dbraw/zinc/64/12/64/813641264.db2.gz QTYZPSPJWXFGKZ-UHFFFAOYSA-N 1 2 253.729 2.482 20 10 CECDLO CC(C)[C@@H]1C[N@H+](Cc2c(O)cccc2F)CCO1 ZINC001137840205 815695504 /nfs/dbraw/zinc/69/55/04/815695504.db2.gz SSSZIPGBKHNQLL-AWEZNQCLSA-N 1 2 253.317 2.388 20 10 CECDLO CC(C)[C@@H]1C[N@@H+](Cc2c(O)cccc2F)CCO1 ZINC001137840205 815695507 /nfs/dbraw/zinc/69/55/07/815695507.db2.gz SSSZIPGBKHNQLL-AWEZNQCLSA-N 1 2 253.317 2.388 20 10 CECDLO Oc1c(F)cccc1C[NH+]1CCN(c2nccs2)CC1 ZINC001138122570 815731774 /nfs/dbraw/zinc/73/17/74/815731774.db2.gz NNHHIYILQLVAFX-UHFFFAOYSA-N 1 2 293.367 2.310 20 10 CECDLO Cn1c[nH+]c2c1CCN(Cc1ccc(Cl)cc1O)C2 ZINC001140465396 816259389 /nfs/dbraw/zinc/25/93/89/816259389.db2.gz LULXYVRSPKBRAH-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO CCOC(=O)C[N@H+](CC)Cc1ccc(Cl)cc1O ZINC001140464451 816260916 /nfs/dbraw/zinc/26/09/16/816260916.db2.gz QKBGYKHZSFIVDX-UHFFFAOYSA-N 1 2 271.744 2.431 20 10 CECDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(Cl)cc1O ZINC001140464451 816260920 /nfs/dbraw/zinc/26/09/20/816260920.db2.gz QKBGYKHZSFIVDX-UHFFFAOYSA-N 1 2 271.744 2.431 20 10 CECDLO COC(=O)C[C@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584177 816292799 /nfs/dbraw/zinc/29/27/99/816292799.db2.gz HBNKZQNDNCPMSL-SNVBAGLBSA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)C[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584177 816292805 /nfs/dbraw/zinc/29/28/05/816292805.db2.gz HBNKZQNDNCPMSL-SNVBAGLBSA-N 1 2 299.317 2.446 20 10 CECDLO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583927 816293225 /nfs/dbraw/zinc/29/32/25/816293225.db2.gz ZAMWLXUTDLZRKS-SECBINFHSA-N 1 2 285.290 2.055 20 10 CECDLO CCOC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583927 816293228 /nfs/dbraw/zinc/29/32/28/816293228.db2.gz ZAMWLXUTDLZRKS-SECBINFHSA-N 1 2 285.290 2.055 20 10 CECDLO Cc1cc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)[nH]n1 ZINC001203080838 816418979 /nfs/dbraw/zinc/41/89/79/816418979.db2.gz DMOZDZBWXZZASZ-UHFFFAOYSA-N 1 2 273.336 2.078 20 10 CECDLO Cc1cc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)[nH]n1 ZINC001203080838 816418985 /nfs/dbraw/zinc/41/89/85/816418985.db2.gz DMOZDZBWXZZASZ-UHFFFAOYSA-N 1 2 273.336 2.078 20 10 CECDLO CCCC[C@H]([NH2+]Cc1ccccc1O)C(=O)OC ZINC000154564468 366779782 /nfs/dbraw/zinc/77/97/82/366779782.db2.gz SQVRWILOESUVHA-LBPRGKRZSA-N 1 2 251.326 2.214 20 10 CECDLO Cc1cccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)c1O ZINC000179921235 368358288 /nfs/dbraw/zinc/35/82/88/368358288.db2.gz PKNIDQMVAVPXAZ-MRXNPFEDSA-N 1 2 296.370 2.374 20 10 CECDLO Cc1cccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)c1O ZINC000179921235 368358296 /nfs/dbraw/zinc/35/82/96/368358296.db2.gz PKNIDQMVAVPXAZ-MRXNPFEDSA-N 1 2 296.370 2.374 20 10 CECDLO COc1ccc(O)c(C[NH2+][C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000180033722 368364132 /nfs/dbraw/zinc/36/41/32/368364132.db2.gz BKXPAFBWCGDOBE-JTQLQIEISA-N 1 2 281.352 2.221 20 10 CECDLO C[C@@H](O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180853936 368399098 /nfs/dbraw/zinc/39/90/98/368399098.db2.gz QJYPRXPLJIEKTG-ZJUUUORDSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180853936 368399104 /nfs/dbraw/zinc/39/91/04/368399104.db2.gz QJYPRXPLJIEKTG-ZJUUUORDSA-N 1 2 255.745 2.248 20 10 CECDLO CC1(O)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180285946 368376059 /nfs/dbraw/zinc/37/60/59/368376059.db2.gz AVLJGBGVLSKEGM-UHFFFAOYSA-N 1 2 255.745 2.392 20 10 CECDLO COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180567715 368386937 /nfs/dbraw/zinc/38/69/37/368386937.db2.gz LLANJHYOBNIKDU-AWEZNQCLSA-N 1 2 283.755 2.431 20 10 CECDLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180567715 368386945 /nfs/dbraw/zinc/38/69/45/368386945.db2.gz LLANJHYOBNIKDU-AWEZNQCLSA-N 1 2 283.755 2.431 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246009598 370899814 /nfs/dbraw/zinc/89/98/14/370899814.db2.gz YDXCLLBCPRPKIB-ZIAGYGMSSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246009598 370899817 /nfs/dbraw/zinc/89/98/17/370899817.db2.gz YDXCLLBCPRPKIB-ZIAGYGMSSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000187985956 369270479 /nfs/dbraw/zinc/27/04/79/369270479.db2.gz VLIWGFPBZJPGGH-GXSJLCMTSA-N 1 2 255.745 2.296 20 10 CECDLO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(F)c(F)c1O ZINC000189335238 369499443 /nfs/dbraw/zinc/49/94/43/369499443.db2.gz NZLIZKLRHUNWMI-GUBZILKMSA-N 1 2 271.307 2.482 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(F)c(F)c1O ZINC000286904569 296146079 /nfs/dbraw/zinc/14/60/79/296146079.db2.gz DSDSCKYWPNMUST-DTWKUNHWSA-N 1 2 258.312 2.271 20 10 CECDLO C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O)c1cnn(C)c1 ZINC000273620689 373768523 /nfs/dbraw/zinc/76/85/23/373768523.db2.gz YZIQLTDDYXBBLV-NXEZZACHSA-N 1 2 290.323 2.446 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000294706593 378014453 /nfs/dbraw/zinc/01/44/53/378014453.db2.gz OMUXVOCNVGYDRY-WPRPVWTQSA-N 1 2 273.735 2.435 20 10 CECDLO CCNC(=O)C[N@H+](CC)Cc1cc(Cl)c(F)cc1O ZINC000294771490 378018687 /nfs/dbraw/zinc/01/86/87/378018687.db2.gz AZLJRCLQJZDCTC-UHFFFAOYSA-N 1 2 288.750 2.143 20 10 CECDLO CCNC(=O)C[N@@H+](CC)Cc1cc(Cl)c(F)cc1O ZINC000294771490 378018691 /nfs/dbraw/zinc/01/86/91/378018691.db2.gz AZLJRCLQJZDCTC-UHFFFAOYSA-N 1 2 288.750 2.143 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)CC(C)(C)CO ZINC000294932367 378029950 /nfs/dbraw/zinc/02/99/50/378029950.db2.gz ZPCFZAZAROBZGV-UHFFFAOYSA-N 1 2 257.761 2.496 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)CC(C)(C)CO ZINC000294932367 378029954 /nfs/dbraw/zinc/02/99/54/378029954.db2.gz ZPCFZAZAROBZGV-UHFFFAOYSA-N 1 2 257.761 2.496 20 10 CECDLO CCOC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000529664263 380182194 /nfs/dbraw/zinc/18/21/94/380182194.db2.gz CBJQHTZVNMZAEE-CYBMUJFWSA-N 1 2 285.771 2.283 20 10 CECDLO CCOC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000529664263 380182200 /nfs/dbraw/zinc/18/22/00/380182200.db2.gz CBJQHTZVNMZAEE-CYBMUJFWSA-N 1 2 285.771 2.283 20 10 CECDLO CC(=O)N1CCC[N@H+](Cc2cccc(Cl)c2O)CC1 ZINC000124522986 394838788 /nfs/dbraw/zinc/83/87/88/394838788.db2.gz JGZKRDZVZSWTSC-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO CC(=O)N1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1 ZINC000124522986 394838789 /nfs/dbraw/zinc/83/87/89/394838789.db2.gz JGZKRDZVZSWTSC-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000373018849 395051858 /nfs/dbraw/zinc/05/18/58/395051858.db2.gz MDDXSFSSJXANQY-XTZNXHDOSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000373018849 395051859 /nfs/dbraw/zinc/05/18/59/395051859.db2.gz MDDXSFSSJXANQY-XTZNXHDOSA-N 1 2 287.812 2.389 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1COCCO1 ZINC000038060442 174070605 /nfs/dbraw/zinc/07/06/05/174070605.db2.gz CYFHUOLOKUALBO-SNVBAGLBSA-N 1 2 292.162 2.204 20 10 CECDLO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293547723 264955336 /nfs/dbraw/zinc/95/53/36/264955336.db2.gz GRFRKLDWIGOXOB-SFYZADRCSA-N 1 2 261.724 2.291 20 10 CECDLO O=C1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]2CCCCN12 ZINC000367348120 266597071 /nfs/dbraw/zinc/59/70/71/266597071.db2.gz DVNCKMSBGHOGDT-CHWSQXEVSA-N 1 2 294.782 2.289 20 10 CECDLO COCC[C@H]1COCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000368269148 267158235 /nfs/dbraw/zinc/15/82/35/267158235.db2.gz FPCNSCURIMKPRF-NSHDSACASA-N 1 2 285.771 2.283 20 10 CECDLO COCC[C@H]1COCC[N@H+]1Cc1c(O)cccc1Cl ZINC000368269148 267158239 /nfs/dbraw/zinc/15/82/39/267158239.db2.gz FPCNSCURIMKPRF-NSHDSACASA-N 1 2 285.771 2.283 20 10 CECDLO Cc1ccc(N2CC[N@H+](Cc3ccccc3O)CC2=O)o1 ZINC000368659676 267194740 /nfs/dbraw/zinc/19/47/40/267194740.db2.gz PJPYPGZOBFCPML-UHFFFAOYSA-N 1 2 286.331 2.142 20 10 CECDLO Cc1ccc(N2CC[N@@H+](Cc3ccccc3O)CC2=O)o1 ZINC000368659676 267194743 /nfs/dbraw/zinc/19/47/43/267194743.db2.gz PJPYPGZOBFCPML-UHFFFAOYSA-N 1 2 286.331 2.142 20 10 CECDLO COC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000280840396 293112572 /nfs/dbraw/zinc/11/25/72/293112572.db2.gz AMUACHAAKABINP-YUMQZZPRSA-N 1 2 294.178 2.357 20 10 CECDLO COc1cccc(C[N@H+](C)Cc2cc(C)on2)c1O ZINC000092254594 327191087 /nfs/dbraw/zinc/19/10/87/327191087.db2.gz OJDRIUSLFOTSPM-UHFFFAOYSA-N 1 2 262.309 2.329 20 10 CECDLO COc1cccc(C[N@@H+](C)Cc2cc(C)on2)c1O ZINC000092254594 327191089 /nfs/dbraw/zinc/19/10/89/327191089.db2.gz OJDRIUSLFOTSPM-UHFFFAOYSA-N 1 2 262.309 2.329 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377701409 329025788 /nfs/dbraw/zinc/02/57/88/329025788.db2.gz PAYAPZAMFKAIPG-KBPBESRZSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377701409 329025790 /nfs/dbraw/zinc/02/57/90/329025790.db2.gz PAYAPZAMFKAIPG-KBPBESRZSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377707910 329026409 /nfs/dbraw/zinc/02/64/09/329026409.db2.gz WIZHMHRYUQUIMP-HIFRSBDPSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377707910 329026410 /nfs/dbraw/zinc/02/64/10/329026410.db2.gz WIZHMHRYUQUIMP-HIFRSBDPSA-N 1 2 297.782 2.425 20 10 CECDLO COc1ccc(O)c(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)c1 ZINC000180557512 518157308 /nfs/dbraw/zinc/15/73/08/518157308.db2.gz JDUHFADQGBVSNY-NSHDSACASA-N 1 2 281.352 2.173 20 10 CECDLO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c1 ZINC000180557512 518157315 /nfs/dbraw/zinc/15/73/15/518157315.db2.gz JDUHFADQGBVSNY-NSHDSACASA-N 1 2 281.352 2.173 20 10 CECDLO CC(=O)c1cc(F)cc(C[NH+]2CCSCC2)c1O ZINC000050133102 518287099 /nfs/dbraw/zinc/28/70/99/518287099.db2.gz IBDMOTNZICCSRP-UHFFFAOYSA-N 1 2 269.341 2.283 20 10 CECDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000080263249 522362097 /nfs/dbraw/zinc/36/20/97/522362097.db2.gz HFSKRQMGVAMFSB-GFCCVEGCSA-N 1 2 292.291 2.371 20 10 CECDLO C[C@@H]1CN(Cc2cccc(F)c2O)C[C@H](C)[N@H+]1C ZINC000141910174 525003080 /nfs/dbraw/zinc/00/30/80/525003080.db2.gz RGEIBELARWGBKE-PHIMTYICSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1CN(Cc2cccc(F)c2O)C[C@H](C)[N@@H+]1C ZINC000141910174 525003095 /nfs/dbraw/zinc/00/30/95/525003095.db2.gz RGEIBELARWGBKE-PHIMTYICSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H](C)N1C ZINC000141910174 525003106 /nfs/dbraw/zinc/00/31/06/525003106.db2.gz RGEIBELARWGBKE-PHIMTYICSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H](C)N1C ZINC000141910174 525003117 /nfs/dbraw/zinc/00/31/17/525003117.db2.gz RGEIBELARWGBKE-PHIMTYICSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@H]([NH2+]Cc1c(O)cccc1Cl)c1nnc2n1CCC2 ZINC000083551781 525427426 /nfs/dbraw/zinc/42/74/26/525427426.db2.gz VFDNEJNHKPCRPK-VIFPVBQESA-N 1 2 292.770 2.434 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(F)cc1O ZINC000062746963 525625103 /nfs/dbraw/zinc/62/51/03/525625103.db2.gz XDYBETDOFFFZPI-BDAKNGLRSA-N 1 2 264.304 2.072 20 10 CECDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ncnn1C ZINC000276642055 525659555 /nfs/dbraw/zinc/65/95/55/525659555.db2.gz OWOAHINPMHRDGC-RKDXNWHRSA-N 1 2 264.304 2.072 20 10 CECDLO CC[C@H]([NH2+][C@H]1CCCNC1=O)c1cccc(Cl)c1O ZINC000806135432 623107176 /nfs/dbraw/zinc/10/71/76/623107176.db2.gz JUOPRHZHKAMQSO-RYUDHWBXSA-N 1 2 282.771 2.365 20 10 CECDLO COCC[C@H](COC)[NH2+]Cc1cccc(Cl)c1O ZINC000310872071 627310701 /nfs/dbraw/zinc/31/07/01/627310701.db2.gz UITPGSZUKLPTRY-LLVKDONJSA-N 1 2 273.760 2.187 20 10 CECDLO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000840975468 628980189 /nfs/dbraw/zinc/98/01/89/628980189.db2.gz YNTCISQMXNQYRK-QMMMGPOBSA-N 1 2 288.750 2.187 20 10 CECDLO C[N@@H+](Cc1cn[nH]c1)Cc1cc(F)cc(F)c1O ZINC000894028971 629095948 /nfs/dbraw/zinc/09/59/48/629095948.db2.gz WDPZMJWHJXPZNP-UHFFFAOYSA-N 1 2 253.252 2.026 20 10 CECDLO Oc1cc2c(cc1C[NH+]1CC(C(F)(F)F)C1)OCO2 ZINC000894892505 629728084 /nfs/dbraw/zinc/72/80/84/629728084.db2.gz YFNKRUJSMALIRN-UHFFFAOYSA-N 1 2 275.226 2.115 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726139 635486459 /nfs/dbraw/zinc/48/64/59/635486459.db2.gz GHHQKXMEABFOBT-LBPRGKRZSA-N 1 2 295.688 2.387 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726139 635486462 /nfs/dbraw/zinc/48/64/62/635486462.db2.gz GHHQKXMEABFOBT-LBPRGKRZSA-N 1 2 295.688 2.387 20 10 CECDLO CC(=O)N1CC[N@@H+](Cc2cc(Cl)c(C)cc2O)[C@H](C)C1 ZINC000824831668 635505892 /nfs/dbraw/zinc/50/58/92/635505892.db2.gz WJHGNJQSRQKGQX-LLVKDONJSA-N 1 2 296.798 2.407 20 10 CECDLO COC(=O)C[N@@H+](Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC000824919960 635525396 /nfs/dbraw/zinc/52/53/96/635525396.db2.gz CLTMXWPTQMNMOA-UHFFFAOYSA-N 1 2 283.755 2.491 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000802654570 631441185 /nfs/dbraw/zinc/44/11/85/631441185.db2.gz XZPZQCLPQNOYEE-ZDUSSCGKSA-N 1 2 287.306 2.257 20 10 CECDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](C(F)F)C2)c1 ZINC000802654570 631441189 /nfs/dbraw/zinc/44/11/89/631441189.db2.gz XZPZQCLPQNOYEE-ZDUSSCGKSA-N 1 2 287.306 2.257 20 10 CECDLO C[N@@H+]1C[C@H]2CCN(Cc3cccc(Cl)c3O)[C@H]2C1 ZINC000814172934 632798178 /nfs/dbraw/zinc/79/81/78/632798178.db2.gz DGZFOBPURPOYIF-MFKMUULPSA-N 1 2 266.772 2.182 20 10 CECDLO C[N@H+]1C[C@H]2CCN(Cc3cccc(Cl)c3O)[C@H]2C1 ZINC000814172934 632798186 /nfs/dbraw/zinc/79/81/86/632798186.db2.gz DGZFOBPURPOYIF-MFKMUULPSA-N 1 2 266.772 2.182 20 10 CECDLO Cc1cc(C[NH2+][C@@H](C)c2ncn(C)n2)ccc1N(C)C ZINC000815099483 632959193 /nfs/dbraw/zinc/95/91/93/632959193.db2.gz XEGDDLCUHNNNPA-LBPRGKRZSA-N 1 2 273.384 2.040 20 10 CECDLO C[NH2+]CCN[C@@H](C)c1cc(Br)c(F)cc1O ZINC000817952756 633797205 /nfs/dbraw/zinc/79/72/05/633797205.db2.gz MBOOJIPGOZLFPO-ZETCQYMHSA-N 1 2 291.164 2.164 20 10 CECDLO Cn1c[nH+]cc1/C=C1/c2cccc3c2N(CCC3)C1=O ZINC000901521922 634155548 /nfs/dbraw/zinc/15/55/48/634155548.db2.gz JZAJFYWGZMWTCI-ZSOIEALJSA-N 1 2 265.316 2.254 20 10 CECDLO COc1nn(C)cc1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000903346730 635073887 /nfs/dbraw/zinc/07/38/87/635073887.db2.gz WCNRUFRXNJMIRJ-SECBINFHSA-N 1 2 279.315 2.124 20 10 CECDLO COCCN1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824542217 635446489 /nfs/dbraw/zinc/44/64/89/635446489.db2.gz QSHAMPVPOGMLRK-UHFFFAOYSA-N 1 2 298.814 2.118 20 10 CECDLO CC[C@H](CCO)[NH2+]Cc1cccc(Br)c1O ZINC000125787955 650209675 /nfs/dbraw/zinc/20/96/75/650209675.db2.gz HWHYDJBYUKTVKO-SNVBAGLBSA-N 1 2 288.185 2.405 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCC2(COC2)C1 ZINC000827645993 636374921 /nfs/dbraw/zinc/37/49/21/636374921.db2.gz YCCCNYDYQXAXTM-UHFFFAOYSA-N 1 2 253.729 2.268 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCC2(COC2)C1 ZINC000827645993 636374926 /nfs/dbraw/zinc/37/49/26/636374926.db2.gz YCCCNYDYQXAXTM-UHFFFAOYSA-N 1 2 253.729 2.268 20 10 CECDLO COc1cc(O)c(C[N@@H+]2CCn3cccc3C2)cc1OC ZINC000905745087 636431232 /nfs/dbraw/zinc/43/12/32/636431232.db2.gz KWPCHYRDQWCXPT-UHFFFAOYSA-N 1 2 288.347 2.227 20 10 CECDLO COc1cc(O)c(C[N@H+]2CCn3cccc3C2)cc1OC ZINC000905745087 636431236 /nfs/dbraw/zinc/43/12/36/636431236.db2.gz KWPCHYRDQWCXPT-UHFFFAOYSA-N 1 2 288.347 2.227 20 10 CECDLO CCOc1ccc(C[N@@H+]2CCO[C@H](C(F)F)C2)c(O)c1 ZINC000802652949 637255873 /nfs/dbraw/zinc/25/58/73/637255873.db2.gz HWAXZMSQQZWBMF-ZDUSSCGKSA-N 1 2 287.306 2.257 20 10 CECDLO CCOc1ccc(C[N@H+]2CCO[C@H](C(F)F)C2)c(O)c1 ZINC000802652949 637255879 /nfs/dbraw/zinc/25/58/79/637255879.db2.gz HWAXZMSQQZWBMF-ZDUSSCGKSA-N 1 2 287.306 2.257 20 10 CECDLO CCCn1cc(C[N@H+](C)Cc2ccccc2O)nn1 ZINC000876616170 650360440 /nfs/dbraw/zinc/36/04/40/650360440.db2.gz UETPRGRIDHMECS-UHFFFAOYSA-N 1 2 260.341 2.026 20 10 CECDLO CCCn1cc(C[N@@H+](C)Cc2ccccc2O)nn1 ZINC000876616170 650360444 /nfs/dbraw/zinc/36/04/44/650360444.db2.gz UETPRGRIDHMECS-UHFFFAOYSA-N 1 2 260.341 2.026 20 10 CECDLO C[C@H]([NH2+]CCc1cn(C)cn1)c1cc(F)cc(F)c1O ZINC000840765736 639539439 /nfs/dbraw/zinc/53/94/39/639539439.db2.gz HZGUKHZZKQASSM-VIFPVBQESA-N 1 2 281.306 2.297 20 10 CECDLO Cc1nnc(CC[NH2+]Cc2c(O)cc(C)cc2Cl)[nH]1 ZINC000840908253 639580551 /nfs/dbraw/zinc/58/05/51/639580551.db2.gz QWVCMCLKCCKHHE-UHFFFAOYSA-N 1 2 280.759 2.113 20 10 CECDLO COc1ccc(O)c([C@H](C)Nc2[nH+]cnc3c2cnn3C)c1 ZINC000171607913 639724028 /nfs/dbraw/zinc/72/40/28/639724028.db2.gz ZPESQTAJTFZLMY-VIFPVBQESA-N 1 2 299.334 2.251 20 10 CECDLO CC[C@H](C)C[C@H]([NH2+]Cc1ccccc1O)C(=O)OC ZINC000843416603 640420598 /nfs/dbraw/zinc/42/05/98/640420598.db2.gz VJNOLBDXQSHUCR-AAEUAGOBSA-N 1 2 265.353 2.460 20 10 CECDLO C[C@H](Cc1nc(Cc2ccc(N)cc2)no1)n1cc[nH+]c1 ZINC000844905755 640862183 /nfs/dbraw/zinc/86/21/83/640862183.db2.gz FZCZHPDGYBQXAJ-LLVKDONJSA-N 1 2 283.335 2.243 20 10 CECDLO CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CC[NH2+]C1 ZINC000071309272 641737603 /nfs/dbraw/zinc/73/76/03/641737603.db2.gz OBBLGLLRFLHIFP-JTQLQIEISA-N 1 2 275.179 2.493 20 10 CECDLO COC[C@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O)OC ZINC000850485173 642728510 /nfs/dbraw/zinc/72/85/10/642728510.db2.gz CAYHKRJGDKFMHK-ONGXEEELSA-N 1 2 289.322 2.373 20 10 CECDLO CC(F)(F)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877551924 650782964 /nfs/dbraw/zinc/78/29/64/650782964.db2.gz OGCLUZQNKWCJRZ-UHFFFAOYSA-N 1 2 284.350 2.393 20 10 CECDLO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cn(C)nn1 ZINC000922635340 643173721 /nfs/dbraw/zinc/17/37/21/643173721.db2.gz QLTJYZQCASCVLL-SSDOTTSWSA-N 1 2 284.722 2.164 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1O ZINC000852536961 643464098 /nfs/dbraw/zinc/46/40/98/643464098.db2.gz LJUGRRTWSHGMNX-XHDPSFHLSA-N 1 2 295.766 2.205 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1O ZINC000852536961 643464102 /nfs/dbraw/zinc/46/41/02/643464102.db2.gz LJUGRRTWSHGMNX-XHDPSFHLSA-N 1 2 295.766 2.205 20 10 CECDLO Oc1cccc2c1C[N@H+](Cc1cc3c(cn1)OCCO3)C2 ZINC000877702594 650859560 /nfs/dbraw/zinc/85/95/60/650859560.db2.gz CVRZWALBZURDNE-UHFFFAOYSA-N 1 2 284.315 2.074 20 10 CECDLO Oc1cccc2c1C[N@@H+](Cc1cc3c(cn1)OCCO3)C2 ZINC000877702594 650859566 /nfs/dbraw/zinc/85/95/66/650859566.db2.gz CVRZWALBZURDNE-UHFFFAOYSA-N 1 2 284.315 2.074 20 10 CECDLO COC(=O)c1ccc(C[N@@H+]2Cc3cccc(O)c3C2)[nH]1 ZINC000877703125 650859909 /nfs/dbraw/zinc/85/99/09/650859909.db2.gz SFKQIXIUWFLXSQ-UHFFFAOYSA-N 1 2 272.304 2.023 20 10 CECDLO COC(=O)c1ccc(C[N@H+]2Cc3cccc(O)c3C2)[nH]1 ZINC000877703125 650859912 /nfs/dbraw/zinc/85/99/12/650859912.db2.gz SFKQIXIUWFLXSQ-UHFFFAOYSA-N 1 2 272.304 2.023 20 10 CECDLO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cccc(Cl)c1O)C2 ZINC000877723977 650871848 /nfs/dbraw/zinc/87/18/48/650871848.db2.gz KZQDRYRNRDIZOY-ZETOZRRWSA-N 1 2 295.766 2.477 20 10 CECDLO COC(=O)C[N@H+](Cc1cc(C)cc(C)c1O)C1CC1 ZINC000754738482 644422005 /nfs/dbraw/zinc/42/20/05/644422005.db2.gz DCCRXSJDXFFBTG-UHFFFAOYSA-N 1 2 263.337 2.146 20 10 CECDLO COC(=O)C[N@@H+](Cc1cc(C)cc(C)c1O)C1CC1 ZINC000754738482 644422007 /nfs/dbraw/zinc/42/20/07/644422007.db2.gz DCCRXSJDXFFBTG-UHFFFAOYSA-N 1 2 263.337 2.146 20 10 CECDLO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756450962 644650387 /nfs/dbraw/zinc/65/03/87/644650387.db2.gz WWRLDNHOQXPOOA-NXEZZACHSA-N 1 2 298.333 2.332 20 10 CECDLO C[C@H]([NH2+]CC1(CO)CC1)c1cc(F)cc(F)c1O ZINC000756638120 644677074 /nfs/dbraw/zinc/67/70/74/644677074.db2.gz RRLLIWLUAKOORQ-QMMMGPOBSA-N 1 2 257.280 2.094 20 10 CECDLO C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C[C@@H]1n1cc[nH+]c1 ZINC000759469551 645031340 /nfs/dbraw/zinc/03/13/40/645031340.db2.gz LQYUCGXBKDZYHD-PWSUYJOCSA-N 1 2 291.376 2.374 20 10 CECDLO CCOc1ccc(C[N@H+](C)Cc2nccn2C)c(O)c1 ZINC000761216903 645258287 /nfs/dbraw/zinc/25/82/87/645258287.db2.gz RTQVFJWKOPYUHR-UHFFFAOYSA-N 1 2 275.352 2.156 20 10 CECDLO CCOc1ccc(C[N@@H+](C)Cc2nccn2C)c(O)c1 ZINC000761216903 645258290 /nfs/dbraw/zinc/25/82/90/645258290.db2.gz RTQVFJWKOPYUHR-UHFFFAOYSA-N 1 2 275.352 2.156 20 10 CECDLO CN(C)c1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC000770395074 646387516 /nfs/dbraw/zinc/38/75/16/646387516.db2.gz HIBOSWCJGBAJTL-UHFFFAOYSA-N 1 2 294.358 2.330 20 10 CECDLO C[C@H]([NH2+]CCC(C)(C)O)c1cc(F)cc(F)c1O ZINC000775586485 646969814 /nfs/dbraw/zinc/96/98/14/646969814.db2.gz QEHRJYJZYUXESW-QMMMGPOBSA-N 1 2 259.296 2.482 20 10 CECDLO OCC[C@H]1CSCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775737497 646985978 /nfs/dbraw/zinc/98/59/78/646985978.db2.gz NHWCIVDHVUGFTE-NSHDSACASA-N 1 2 287.812 2.345 20 10 CECDLO OCC[C@H]1CSCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775737497 646985981 /nfs/dbraw/zinc/98/59/81/646985981.db2.gz NHWCIVDHVUGFTE-NSHDSACASA-N 1 2 287.812 2.345 20 10 CECDLO COc1ccc(CNc2[nH+]cccc2OC)c(O)c1 ZINC000776253745 647042864 /nfs/dbraw/zinc/04/28/64/647042864.db2.gz QESKIVQTXVSOHW-UHFFFAOYSA-N 1 2 260.293 2.417 20 10 CECDLO COCC[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCOC1 ZINC000787334129 648100738 /nfs/dbraw/zinc/10/07/38/648100738.db2.gz DWNSPBPUYFAEOY-GFCCVEGCSA-N 1 2 285.771 2.283 20 10 CECDLO COCC[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCOC1 ZINC000787334129 648100740 /nfs/dbraw/zinc/10/07/40/648100740.db2.gz DWNSPBPUYFAEOY-GFCCVEGCSA-N 1 2 285.771 2.283 20 10 CECDLO C[NH2+][C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000128855187 651614012 /nfs/dbraw/zinc/61/40/12/651614012.db2.gz SXYDKHGXGPQPKQ-SNVBAGLBSA-N 1 2 275.179 2.493 20 10 CECDLO CN(C)c1ccc(CNc2cc(CO)cc[nH+]2)cc1 ZINC000881774466 651880789 /nfs/dbraw/zinc/88/07/89/651880789.db2.gz RYNGHZYEZZEIIO-UHFFFAOYSA-N 1 2 257.337 2.252 20 10 CECDLO CN(C)c1ccc(CNc2cc(CO)cc[nH+]2)cc1F ZINC000881865844 651903598 /nfs/dbraw/zinc/90/35/98/651903598.db2.gz CQVQMTYWECYBGQ-UHFFFAOYSA-N 1 2 275.327 2.391 20 10 CECDLO CC1(C)C[N@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001142509188 806610601 /nfs/dbraw/zinc/61/06/01/806610601.db2.gz ZWTCVBULPVMLKA-UHFFFAOYSA-N 1 2 257.280 2.281 20 10 CECDLO CC1(C)C[N@@H+](Cc2cc(F)c(F)cc2O)CCO1 ZINC001142509188 806610603 /nfs/dbraw/zinc/61/06/03/806610603.db2.gz ZWTCVBULPVMLKA-UHFFFAOYSA-N 1 2 257.280 2.281 20 10 CECDLO CCc1nnc(C[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000708535113 809945552 /nfs/dbraw/zinc/94/55/52/809945552.db2.gz IEZUCISVXQGPEN-UHFFFAOYSA-N 1 2 285.319 2.374 20 10 CECDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1csnn1 ZINC000398252502 813666845 /nfs/dbraw/zinc/66/68/45/813666845.db2.gz ONDKZUTUNLGIOA-VIFPVBQESA-N 1 2 261.350 2.324 20 10 CECDLO C[N@@H+]1C[C@@H]2CCCN(Cc3c(F)ccc(F)c3O)[C@@H]2C1 ZINC001139682713 814727287 /nfs/dbraw/zinc/72/72/87/814727287.db2.gz BGTUSBJWATVOKL-IINYFYTJSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1C[C@@H]2CCCN(Cc3c(F)ccc(F)c3O)[C@@H]2C1 ZINC001139682713 814727290 /nfs/dbraw/zinc/72/72/90/814727290.db2.gz BGTUSBJWATVOKL-IINYFYTJSA-N 1 2 282.334 2.196 20 10 CECDLO CCOc1ccc(N2CC[NH+](Cc3cccnn3)CC2)cc1 ZINC001139975934 816154748 /nfs/dbraw/zinc/15/47/48/816154748.db2.gz PGBKCTGWCYFXTG-UHFFFAOYSA-N 1 2 298.390 2.198 20 10 CECDLO O=C1CC[C@@]2(CCC[N@@H+](Cc3c(O)cc(F)cc3F)C2)O1 ZINC001140584008 816292598 /nfs/dbraw/zinc/29/25/98/816292598.db2.gz BYRAJCYSUYHPNQ-OAHLLOKOSA-N 1 2 297.301 2.342 20 10 CECDLO O=C1CC[C@@]2(CCC[N@H+](Cc3c(O)cc(F)cc3F)C2)O1 ZINC001140584008 816292601 /nfs/dbraw/zinc/29/26/01/816292601.db2.gz BYRAJCYSUYHPNQ-OAHLLOKOSA-N 1 2 297.301 2.342 20 10 CECDLO C[C@](CO)([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC001178124530 816691050 /nfs/dbraw/zinc/69/10/50/816691050.db2.gz IREJRHNYSAGLLD-CYBMUJFWSA-N 1 2 273.735 2.435 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1O ZINC000037323453 361903940 /nfs/dbraw/zinc/90/39/40/361903940.db2.gz HGGGFZFMYJEXCI-NXEZZACHSA-N 1 2 281.327 2.343 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1O ZINC000037323453 361903944 /nfs/dbraw/zinc/90/39/44/361903944.db2.gz HGGGFZFMYJEXCI-NXEZZACHSA-N 1 2 281.327 2.343 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ncnn1C ZINC000276638286 299345459 /nfs/dbraw/zinc/34/54/59/299345459.db2.gz OLDWWKVVJGZBAD-YUMQZZPRSA-N 1 2 282.294 2.211 20 10 CECDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180766548 368395211 /nfs/dbraw/zinc/39/52/11/368395211.db2.gz AMCZCBNSWMSEPV-GFCCVEGCSA-N 1 2 267.300 2.059 20 10 CECDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180766548 368395215 /nfs/dbraw/zinc/39/52/15/368395215.db2.gz AMCZCBNSWMSEPV-GFCCVEGCSA-N 1 2 267.300 2.059 20 10 CECDLO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(F)c(F)c1O ZINC000276969774 296131358 /nfs/dbraw/zinc/13/13/58/296131358.db2.gz UBDMWVIXOLRKBY-DTWKUNHWSA-N 1 2 258.312 2.271 20 10 CECDLO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187729693 369212562 /nfs/dbraw/zinc/21/25/62/369212562.db2.gz ZMQKZBJDJIYUDF-SOCHQFKDSA-N 1 2 291.363 2.433 20 10 CECDLO COC(=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000188676113 369392697 /nfs/dbraw/zinc/39/26/97/369392697.db2.gz RRDPPCIXGLVAHU-UHFFFAOYSA-N 1 2 269.728 2.088 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)CC1(O)CCOCC1 ZINC000188840236 369418313 /nfs/dbraw/zinc/41/83/13/369418313.db2.gz PIHHEKIONNNJME-UHFFFAOYSA-N 1 2 285.771 2.019 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)CC1(O)CCOCC1 ZINC000188840236 369418316 /nfs/dbraw/zinc/41/83/16/369418316.db2.gz PIHHEKIONNNJME-UHFFFAOYSA-N 1 2 285.771 2.019 20 10 CECDLO CCOC(=O)[C@H](C)[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000191711451 369736038 /nfs/dbraw/zinc/73/60/38/369736038.db2.gz PXSKIMXEGDRYFE-JTQLQIEISA-N 1 2 281.327 2.447 20 10 CECDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000191711451 369736041 /nfs/dbraw/zinc/73/60/41/369736041.db2.gz PXSKIMXEGDRYFE-JTQLQIEISA-N 1 2 281.327 2.447 20 10 CECDLO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(F)c(F)c1O ZINC000187751559 296156422 /nfs/dbraw/zinc/15/64/22/296156422.db2.gz RYRWCURNASOQKY-LDYMZIIASA-N 1 2 294.305 2.448 20 10 CECDLO CCOc1ccc(O)c(C[N@H+](C)Cc2ccon2)c1 ZINC000271208867 373182104 /nfs/dbraw/zinc/18/21/04/373182104.db2.gz SVAFJBHRDUPJII-UHFFFAOYSA-N 1 2 262.309 2.411 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccon2)c1 ZINC000271208867 373182112 /nfs/dbraw/zinc/18/21/12/373182112.db2.gz SVAFJBHRDUPJII-UHFFFAOYSA-N 1 2 262.309 2.411 20 10 CECDLO COC(=O)C[N@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000271797262 373200650 /nfs/dbraw/zinc/20/06/50/373200650.db2.gz KFGDIDDTAQBQEH-UHFFFAOYSA-N 1 2 269.728 2.183 20 10 CECDLO COC(=O)C[N@@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000271797262 373200659 /nfs/dbraw/zinc/20/06/59/373200659.db2.gz KFGDIDDTAQBQEH-UHFFFAOYSA-N 1 2 269.728 2.183 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400639 373755896 /nfs/dbraw/zinc/75/58/96/373755896.db2.gz MXGRHPVSZJUZHW-JQWIXIFHSA-N 1 2 279.340 2.045 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400639 373755899 /nfs/dbraw/zinc/75/58/99/373755899.db2.gz MXGRHPVSZJUZHW-JQWIXIFHSA-N 1 2 279.340 2.045 20 10 CECDLO Cc1noc(C(C)(C)[NH2+]Cc2cccc(F)c2O)n1 ZINC000284933055 375833215 /nfs/dbraw/zinc/83/32/15/375833215.db2.gz GXZPVIWOAZLGRC-UHFFFAOYSA-N 1 2 265.288 2.248 20 10 CECDLO C[C@H](CN1CCCC1=O)[NH2+]Cc1cccc(Cl)c1O ZINC000124719080 394839551 /nfs/dbraw/zinc/83/95/51/394839551.db2.gz WGNUDLCUEATCEC-SNVBAGLBSA-N 1 2 282.771 2.146 20 10 CECDLO C[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000130748312 394895561 /nfs/dbraw/zinc/89/55/61/394895561.db2.gz JIOKCISZVGQDFV-NSHDSACASA-N 1 2 252.333 2.112 20 10 CECDLO C[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000130748312 394895564 /nfs/dbraw/zinc/89/55/64/394895564.db2.gz JIOKCISZVGQDFV-NSHDSACASA-N 1 2 252.333 2.112 20 10 CECDLO CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc(Cl)c1O ZINC000287635080 395044452 /nfs/dbraw/zinc/04/44/52/395044452.db2.gz KOIMUGFCAFXKSE-JOYOIKCWSA-N 1 2 282.771 2.317 20 10 CECDLO CC[C@@H]([NH2+]CC[C@@H](O)COC)c1cccc(Cl)c1O ZINC000287728632 395046207 /nfs/dbraw/zinc/04/62/07/395046207.db2.gz PATZKGNLEADJAE-ZWNOBZJWSA-N 1 2 287.787 2.484 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[NH2+]CC1 ZINC000038086978 174098506 /nfs/dbraw/zinc/09/85/06/174098506.db2.gz AZIHAZXKFGYXTL-UHFFFAOYSA-N 1 2 275.179 2.494 20 10 CECDLO CC[C@H]([NH2+]CC(F)(F)CO)c1ccc(N(C)C)cc1 ZINC000184715274 262027155 /nfs/dbraw/zinc/02/71/55/262027155.db2.gz ZFRMKHANPGGVQQ-ZDUSSCGKSA-N 1 2 272.339 2.421 20 10 CECDLO COC(=O)C[N@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000294145512 265000159 /nfs/dbraw/zinc/00/01/59/265000159.db2.gz HRXPLJQKTHGDSQ-UHFFFAOYSA-N 1 2 287.718 2.322 20 10 CECDLO COC(=O)C[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000294145512 265000162 /nfs/dbraw/zinc/00/01/62/265000162.db2.gz HRXPLJQKTHGDSQ-UHFFFAOYSA-N 1 2 287.718 2.322 20 10 CECDLO Cc1cnn(C2C[NH+](Cc3cccc(F)c3O)C2)c1 ZINC000378497980 329053188 /nfs/dbraw/zinc/05/31/88/329053188.db2.gz NYYSQTOOHDFBSY-UHFFFAOYSA-N 1 2 261.300 2.093 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000180707551 329222438 /nfs/dbraw/zinc/22/24/38/329222438.db2.gz YDXCLLBCPRPKIB-UONOGXRCSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000180707551 329222440 /nfs/dbraw/zinc/22/24/40/329222440.db2.gz YDXCLLBCPRPKIB-UONOGXRCSA-N 1 2 297.782 2.425 20 10 CECDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccc(OC)cc1 ZINC000492807012 332414304 /nfs/dbraw/zinc/41/43/04/332414304.db2.gz ARGZBNSIZAYJCS-RUDMXATFSA-N 1 2 271.320 2.485 20 10 CECDLO CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000279679025 519552961 /nfs/dbraw/zinc/55/29/61/519552961.db2.gz ISJQFCBSZMCFDK-GFCCVEGCSA-N 1 2 296.798 2.394 20 10 CECDLO CCOCc1nc([C@H](C)[NH2+]Cc2ccccc2O)no1 ZINC000291667410 520218292 /nfs/dbraw/zinc/21/82/92/520218292.db2.gz VYYHRAPDHXUOLS-JTQLQIEISA-N 1 2 277.324 2.163 20 10 CECDLO CCOCc1nc([C@H](C)[NH2+]Cc2cccc(C)c2O)no1 ZINC000291465102 520219458 /nfs/dbraw/zinc/21/94/58/520219458.db2.gz DLEKLZXHACRKDV-NSHDSACASA-N 1 2 291.351 2.471 20 10 CECDLO COC[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCCO1 ZINC000279440080 522363291 /nfs/dbraw/zinc/36/32/91/522363291.db2.gz PDBDBPLHZGJZPA-OLZOCXBDSA-N 1 2 285.771 2.329 20 10 CECDLO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cccc(F)c1O ZINC000275117451 523829478 /nfs/dbraw/zinc/82/94/78/523829478.db2.gz GDFUYTPGTROZMO-CQSZACIVSA-N 1 2 267.300 2.059 20 10 CECDLO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc(F)c1O ZINC000275117451 523829485 /nfs/dbraw/zinc/82/94/85/523829485.db2.gz GDFUYTPGTROZMO-CQSZACIVSA-N 1 2 267.300 2.059 20 10 CECDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[S@](=O)C1 ZINC000277384597 524623244 /nfs/dbraw/zinc/62/32/44/524623244.db2.gz GNGLUBFNBMYDSV-YPMLDQLKSA-N 1 2 287.812 2.246 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[S@](=O)C1 ZINC000277384597 524623249 /nfs/dbraw/zinc/62/32/49/524623249.db2.gz GNGLUBFNBMYDSV-YPMLDQLKSA-N 1 2 287.812 2.246 20 10 CECDLO Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000276170748 524872670 /nfs/dbraw/zinc/87/26/70/524872670.db2.gz HDMHFYLSHJOTBB-VIFPVBQESA-N 1 2 280.759 2.333 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1nncn1C ZINC000062746962 525530971 /nfs/dbraw/zinc/53/09/71/525530971.db2.gz XDYBETDOFFFZPI-IUCAKERBSA-N 1 2 264.304 2.072 20 10 CECDLO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756450965 574815485 /nfs/dbraw/zinc/81/54/85/574815485.db2.gz WWRLDNHOQXPOOA-ZJUUUORDSA-N 1 2 298.333 2.332 20 10 CECDLO Cc1c(C[N@H+](C)Cc2cc(F)cc(F)c2O)cnn1C ZINC000894597065 629555199 /nfs/dbraw/zinc/55/51/99/629555199.db2.gz SWMSBKMSUCLZKM-UHFFFAOYSA-N 1 2 281.306 2.344 20 10 CECDLO Cc1c(C[N@@H+](C)Cc2cc(F)cc(F)c2O)cnn1C ZINC000894597065 629555201 /nfs/dbraw/zinc/55/52/01/629555201.db2.gz SWMSBKMSUCLZKM-UHFFFAOYSA-N 1 2 281.306 2.344 20 10 CECDLO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000895113761 629914051 /nfs/dbraw/zinc/91/40/51/629914051.db2.gz KDCPPPUASINNGI-GUBZILKMSA-N 1 2 282.771 2.143 20 10 CECDLO C[C@@H]1NC(=O)[C@H](C)[N@@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000895113761 629914054 /nfs/dbraw/zinc/91/40/54/629914054.db2.gz KDCPPPUASINNGI-GUBZILKMSA-N 1 2 282.771 2.143 20 10 CECDLO C[C@@H]1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCN1C ZINC000896554172 630597040 /nfs/dbraw/zinc/59/70/40/630597040.db2.gz IPIUPRWPBLQGCN-PRHODGIISA-N 1 2 272.751 2.367 20 10 CECDLO Cc1cc(O)c(C[NH+]2CC(N3CCCC3=O)C2)cc1Cl ZINC000897784866 631915597 /nfs/dbraw/zinc/91/55/97/631915597.db2.gz LFMNRYUHIWFJCJ-UHFFFAOYSA-N 1 2 294.782 2.161 20 10 CECDLO CC(=O)OC[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000898214374 632091228 /nfs/dbraw/zinc/09/12/28/632091228.db2.gz BEMXNPFMAJEIIX-MRVPVSSYSA-N 1 2 257.717 2.087 20 10 CECDLO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000898189424 632104079 /nfs/dbraw/zinc/10/40/79/632104079.db2.gz SNXUIFGOVVDZTB-PIGHNIFASA-N 1 2 278.371 2.171 20 10 CECDLO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](O)[C@@H](F)C2)cc1 ZINC000898189424 632104085 /nfs/dbraw/zinc/10/40/85/632104085.db2.gz SNXUIFGOVVDZTB-PIGHNIFASA-N 1 2 278.371 2.171 20 10 CECDLO CC1(C)[C@H](O)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000812778092 632576158 /nfs/dbraw/zinc/57/61/58/632576158.db2.gz BWEVJWUYXVLDTM-LLVKDONJSA-N 1 2 255.745 2.391 20 10 CECDLO CC1(C)[C@H](O)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000812778092 632576159 /nfs/dbraw/zinc/57/61/59/632576159.db2.gz BWEVJWUYXVLDTM-LLVKDONJSA-N 1 2 255.745 2.391 20 10 CECDLO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817942490 633791098 /nfs/dbraw/zinc/79/10/98/633791098.db2.gz ZZWDYNHNNAVDCA-PSASIEDQSA-N 1 2 256.296 2.073 20 10 CECDLO C[NH2+]CCN[C@H](C)c1cccc(C(F)(F)F)c1O ZINC000817952543 633797516 /nfs/dbraw/zinc/79/75/16/633797516.db2.gz RPXAAVHWOBEGBG-MRVPVSSYSA-N 1 2 262.275 2.281 20 10 CECDLO CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(Cl)c1[O-] ZINC000817984184 633826757 /nfs/dbraw/zinc/82/67/57/633826757.db2.gz VTYKENPGRZUFKR-GWCFXTLKSA-N 1 2 284.787 2.075 20 10 CECDLO COC(=O)c1conc1C(C)(C)[NH2+]Cc1ccccc1O ZINC000822534537 634938850 /nfs/dbraw/zinc/93/88/50/634938850.db2.gz LJYQNSWULTXGTG-UHFFFAOYSA-N 1 2 290.319 2.192 20 10 CECDLO C[C@@H]([NH2+]Cc1cn(C)cn1)c1cc(F)cc(F)c1O ZINC000903352986 635081302 /nfs/dbraw/zinc/08/13/02/635081302.db2.gz YAXOTVWAQHWHGS-MRVPVSSYSA-N 1 2 267.279 2.255 20 10 CECDLO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000825188378 635588206 /nfs/dbraw/zinc/58/82/06/635588206.db2.gz JUDVYKOGBRRIBK-UFBFGSQYSA-N 1 2 273.735 2.435 20 10 CECDLO CC[C@@H](CCO)[NH2+]Cc1cccc(Br)c1O ZINC000125787789 650209805 /nfs/dbraw/zinc/20/98/05/650209805.db2.gz HWHYDJBYUKTVKO-JTQLQIEISA-N 1 2 288.185 2.405 20 10 CECDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@]1(C)CO ZINC000827699846 636397700 /nfs/dbraw/zinc/39/77/00/636397700.db2.gz MYSLQCFPNLNUAT-HZMBPMFUSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]1(C)CO ZINC000827699846 636397706 /nfs/dbraw/zinc/39/77/06/636397706.db2.gz MYSLQCFPNLNUAT-HZMBPMFUSA-N 1 2 269.772 2.496 20 10 CECDLO CC[C@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911660662 638341665 /nfs/dbraw/zinc/34/16/65/638341665.db2.gz MODSIXCEWUJTQW-HUUCEWRRSA-N 1 2 291.395 2.097 20 10 CECDLO CC[C@H](C(=O)Nc1ccc(N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000911660662 638341670 /nfs/dbraw/zinc/34/16/70/638341670.db2.gz MODSIXCEWUJTQW-HUUCEWRRSA-N 1 2 291.395 2.097 20 10 CECDLO Cc1cc(O)c(CNC[C@H](C)[NH+](C)C)c(Cl)c1 ZINC000840889517 639573959 /nfs/dbraw/zinc/57/39/59/639573959.db2.gz HFDIOTMERNDMQS-JTQLQIEISA-N 1 2 256.777 2.394 20 10 CECDLO C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057672 640259838 /nfs/dbraw/zinc/25/98/38/640259838.db2.gz QNWRQSALDOKRMO-DTWKUNHWSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057672 640259843 /nfs/dbraw/zinc/25/98/43/640259843.db2.gz QNWRQSALDOKRMO-DTWKUNHWSA-N 1 2 272.751 2.354 20 10 CECDLO COc1ccc(N(C)CC[N@H+](C)Cc2ccon2)cc1 ZINC000844402486 640709779 /nfs/dbraw/zinc/70/97/79/640709779.db2.gz ZLMVBBLWUYZOLT-UHFFFAOYSA-N 1 2 275.352 2.251 20 10 CECDLO COc1ccc(N(C)CC[N@@H+](C)Cc2ccon2)cc1 ZINC000844402486 640709784 /nfs/dbraw/zinc/70/97/84/640709784.db2.gz ZLMVBBLWUYZOLT-UHFFFAOYSA-N 1 2 275.352 2.251 20 10 CECDLO Cc1cn2c(n1)C[N@@H+](Cc1c(C)cccc1O)CC2 ZINC000877193871 650619924 /nfs/dbraw/zinc/61/99/24/650619924.db2.gz RZHDHBXKOPAFMB-UHFFFAOYSA-N 1 2 257.337 2.221 20 10 CECDLO Cc1cn2c(n1)C[N@H+](Cc1c(C)cccc1O)CC2 ZINC000877193871 650619926 /nfs/dbraw/zinc/61/99/26/650619926.db2.gz RZHDHBXKOPAFMB-UHFFFAOYSA-N 1 2 257.337 2.221 20 10 CECDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877407467 650709979 /nfs/dbraw/zinc/70/99/79/650709979.db2.gz RHHIUNXDXKYXAW-NXEZZACHSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(F)c(F)c1O ZINC000877407467 650709981 /nfs/dbraw/zinc/70/99/81/650709981.db2.gz RHHIUNXDXKYXAW-NXEZZACHSA-N 1 2 270.323 2.195 20 10 CECDLO CC[C@H]([NH2+]C[C@](C)(CO)OC)c1cccc(Cl)c1O ZINC000848556066 642051342 /nfs/dbraw/zinc/05/13/42/642051342.db2.gz LRDCMFIUWAJLBP-GXTWGEPZSA-N 1 2 287.787 2.484 20 10 CECDLO CN(Cc1cc(Cl)cc(F)c1O)CC(C)(C)[NH3+] ZINC000849350538 642340497 /nfs/dbraw/zinc/34/04/97/642340497.db2.gz PPGYQPJMBSVXDB-UHFFFAOYSA-N 1 2 260.740 2.354 20 10 CECDLO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(F)cc(F)c1O ZINC000850513639 642735855 /nfs/dbraw/zinc/73/58/55/642735855.db2.gz AHKCJEYYLXZVQG-RKDXNWHRSA-N 1 2 271.307 2.482 20 10 CECDLO CCN(C)c1ccc(C[N@H+](C)Cc2nnc(C)o2)cc1 ZINC000852471211 643435675 /nfs/dbraw/zinc/43/56/75/643435675.db2.gz GOWSGZFJMPBWIU-UHFFFAOYSA-N 1 2 274.368 2.466 20 10 CECDLO CCN(C)c1ccc(C[N@@H+](C)Cc2nnc(C)o2)cc1 ZINC000852471211 643435681 /nfs/dbraw/zinc/43/56/81/643435681.db2.gz GOWSGZFJMPBWIU-UHFFFAOYSA-N 1 2 274.368 2.466 20 10 CECDLO COc1ccc(C[NH2+]Cc2noc3c2COCC3)cc1C ZINC000923016106 643516031 /nfs/dbraw/zinc/51/60/31/643516031.db2.gz SFUFLVDJTDJJBH-UHFFFAOYSA-N 1 2 288.347 2.354 20 10 CECDLO COC(=O)Cc1cc[nH+]c(NCc2ccc(N(C)C)cc2)c1 ZINC000853094113 643650623 /nfs/dbraw/zinc/65/06/23/643650623.db2.gz QHRVSORHZOKMDW-UHFFFAOYSA-N 1 2 299.374 2.475 20 10 CECDLO COC(=O)c1cc(C[N@@H+]2Cc3cccc(O)c3C2)[nH]c1C ZINC000877702925 650859733 /nfs/dbraw/zinc/85/97/33/650859733.db2.gz KEDSWLAWKPBPSK-UHFFFAOYSA-N 1 2 286.331 2.331 20 10 CECDLO COC(=O)c1cc(C[N@H+]2Cc3cccc(O)c3C2)[nH]c1C ZINC000877702925 650859734 /nfs/dbraw/zinc/85/97/34/650859734.db2.gz KEDSWLAWKPBPSK-UHFFFAOYSA-N 1 2 286.331 2.331 20 10 CECDLO Cc1nnc(C[N@@H+](C)Cc2ccccc2O)n1C1CC1 ZINC000111235001 643733672 /nfs/dbraw/zinc/73/36/72/643733672.db2.gz NUAHTZSBTSURRS-UHFFFAOYSA-N 1 2 272.352 2.259 20 10 CECDLO Cc1nnc(C[N@H+](C)Cc2ccccc2O)n1C1CC1 ZINC000111235001 643733674 /nfs/dbraw/zinc/73/36/74/643733674.db2.gz NUAHTZSBTSURRS-UHFFFAOYSA-N 1 2 272.352 2.259 20 10 CECDLO Cc1ccc(O)c(C[NH+]2CC(OCC(F)F)C2)c1 ZINC000839138356 644170681 /nfs/dbraw/zinc/17/06/81/644170681.db2.gz PPVUJEYSKQGQRY-UHFFFAOYSA-N 1 2 257.280 2.167 20 10 CECDLO Oc1c(C[NH2+][C@@H]2CCCn3nccc32)ccc(F)c1F ZINC000877777954 650906808 /nfs/dbraw/zinc/90/68/08/650906808.db2.gz HIWXVUKONXIMAL-LLVKDONJSA-N 1 2 279.290 2.492 20 10 CECDLO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2nc(C)no2)c1O ZINC000754685955 644414669 /nfs/dbraw/zinc/41/46/69/644414669.db2.gz LSGLZGFNEOYHJS-SSDOTTSWSA-N 1 2 293.298 2.276 20 10 CECDLO COCCOCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756360621 644635736 /nfs/dbraw/zinc/63/57/36/644635736.db2.gz UYYMNDCQXXEJJO-JTQLQIEISA-N 1 2 289.322 2.374 20 10 CECDLO COc1cc(Cl)cc(C[N@@H+]2CCc3n[nH]cc3C2)c1O ZINC000857878867 644995487 /nfs/dbraw/zinc/99/54/87/644995487.db2.gz UMALVTPCWKPUNP-UHFFFAOYSA-N 1 2 293.754 2.336 20 10 CECDLO COc1cc(Cl)cc(C[N@H+]2CCc3n[nH]cc3C2)c1O ZINC000857878867 644995492 /nfs/dbraw/zinc/99/54/92/644995492.db2.gz UMALVTPCWKPUNP-UHFFFAOYSA-N 1 2 293.754 2.336 20 10 CECDLO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)C1 ZINC000858584678 645212287 /nfs/dbraw/zinc/21/22/87/645212287.db2.gz UZSSPJYKJNULRC-HGNGGELXSA-N 1 2 257.280 2.498 20 10 CECDLO CN(CC[NH2+]Cc1cccc(Cl)c1O)CC(F)F ZINC000862550828 646495742 /nfs/dbraw/zinc/49/57/42/646495742.db2.gz PYBKWHGOKPVGML-UHFFFAOYSA-N 1 2 278.730 2.332 20 10 CECDLO [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000779191109 647295328 /nfs/dbraw/zinc/29/53/28/647295328.db2.gz FGLPVLXWGDCIMC-NSHDSACASA-N 1 2 277.755 2.347 20 10 CECDLO Cc1cn(C(C)(C)C(=O)N(C)c2ccc(N)cc2)c[nH+]1 ZINC000884442243 652852474 /nfs/dbraw/zinc/85/24/74/652852474.db2.gz ZRUVVQXANNLUSI-UHFFFAOYSA-N 1 2 272.352 2.172 20 10 CECDLO Oc1cccc(Cl)c1C[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001140341545 802840548 /nfs/dbraw/zinc/84/05/48/802840548.db2.gz VGLLJSLSAKYSOS-JTQLQIEISA-N 1 2 284.762 2.274 20 10 CECDLO COC(=O)C[N@@H+](Cc1cc(F)cc(F)c1O)CC(C)C ZINC001119507262 815122586 /nfs/dbraw/zinc/12/25/86/815122586.db2.gz CKTGQIYITCOVHU-UHFFFAOYSA-N 1 2 287.306 2.301 20 10 CECDLO COC(=O)C[N@H+](Cc1cc(F)cc(F)c1O)CC(C)C ZINC001119507262 815122590 /nfs/dbraw/zinc/12/25/90/815122590.db2.gz CKTGQIYITCOVHU-UHFFFAOYSA-N 1 2 287.306 2.301 20 10 CECDLO [NH3+][C@@]12C[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001236016644 807922816 /nfs/dbraw/zinc/92/28/16/807922816.db2.gz PLTWOEGZINIKIW-PRHODGIISA-N 1 2 273.163 2.232 20 10 CECDLO CC1(O)CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000708389309 809928218 /nfs/dbraw/zinc/92/82/18/809928218.db2.gz KCWUPDWZBOWCSE-UHFFFAOYSA-N 1 2 271.307 2.454 20 10 CECDLO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708438538 809930789 /nfs/dbraw/zinc/93/07/89/809930789.db2.gz WITQWWDZZMHQGV-SDBXPKJASA-N 1 2 257.280 2.328 20 10 CECDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)C1(CO)CC1 ZINC000696098768 814642302 /nfs/dbraw/zinc/64/23/02/814642302.db2.gz GSVFCHSYXDSMBC-VIFPVBQESA-N 1 2 255.745 2.296 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCc2cnccc2C1 ZINC001137831849 815691483 /nfs/dbraw/zinc/69/14/83/815691483.db2.gz PSAYUVUTPIJSJL-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCc2cnccc2C1 ZINC001137831849 815691486 /nfs/dbraw/zinc/69/14/86/815691486.db2.gz PSAYUVUTPIJSJL-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137839219 815694651 /nfs/dbraw/zinc/69/46/51/815694651.db2.gz XHLRLIRYKNLELR-LBPRGKRZSA-N 1 2 267.300 2.059 20 10 CECDLO CCOC(=O)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1F ZINC001137839219 815694655 /nfs/dbraw/zinc/69/46/55/815694655.db2.gz XHLRLIRYKNLELR-LBPRGKRZSA-N 1 2 267.300 2.059 20 10 CECDLO Cc1cc(C[N@H+]2CCN(C)C(=O)C2)c(C)n1-c1ccccc1 ZINC001137854321 815698803 /nfs/dbraw/zinc/69/88/03/815698803.db2.gz RFCZHUJXGZCHAJ-UHFFFAOYSA-N 1 2 297.402 2.368 20 10 CECDLO Cc1cc(C[N@@H+]2CCN(C)C(=O)C2)c(C)n1-c1ccccc1 ZINC001137854321 815698806 /nfs/dbraw/zinc/69/88/06/815698806.db2.gz RFCZHUJXGZCHAJ-UHFFFAOYSA-N 1 2 297.402 2.368 20 10 CECDLO CC[N@H+](CCn1ccnc1)Cc1cccc(F)c1O ZINC001138129558 815734484 /nfs/dbraw/zinc/73/44/84/815734484.db2.gz KDKWWWCMEPJYNS-UHFFFAOYSA-N 1 2 263.316 2.250 20 10 CECDLO CC[N@@H+](CCn1ccnc1)Cc1cccc(F)c1O ZINC001138129558 815734487 /nfs/dbraw/zinc/73/44/87/815734487.db2.gz KDKWWWCMEPJYNS-UHFFFAOYSA-N 1 2 263.316 2.250 20 10 CECDLO Oc1c(F)cccc1CN1CCC([NH+]2CCC2)CC1 ZINC001138131277 815736526 /nfs/dbraw/zinc/73/65/26/815736526.db2.gz UYFSQQGQWUYQCO-UHFFFAOYSA-N 1 2 264.344 2.201 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H](F)C1 ZINC001139127407 815965335 /nfs/dbraw/zinc/96/53/35/815965335.db2.gz VWYTZOUVJADLEC-JTQLQIEISA-N 1 2 277.295 2.351 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H](F)C1 ZINC001139127407 815965338 /nfs/dbraw/zinc/96/53/38/815965338.db2.gz VWYTZOUVJADLEC-JTQLQIEISA-N 1 2 277.295 2.351 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140461129 816258609 /nfs/dbraw/zinc/25/86/09/816258609.db2.gz DTIPAEBAVJAAMT-NSHDSACASA-N 1 2 269.728 2.183 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1O ZINC001140461129 816258614 /nfs/dbraw/zinc/25/86/14/816258614.db2.gz DTIPAEBAVJAAMT-NSHDSACASA-N 1 2 269.728 2.183 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001140582069 816291838 /nfs/dbraw/zinc/29/18/38/816291838.db2.gz BEBGAUIEPUYFAS-CQSZACIVSA-N 1 2 289.297 2.357 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001140582069 816291846 /nfs/dbraw/zinc/29/18/46/816291846.db2.gz BEBGAUIEPUYFAS-CQSZACIVSA-N 1 2 289.297 2.357 20 10 CECDLO C[N@H+](Cc1c(O)cc(F)cc1F)C1CCOCC1 ZINC001140582395 816292034 /nfs/dbraw/zinc/29/20/34/816292034.db2.gz HKGUNMNOXZYIHE-UHFFFAOYSA-N 1 2 257.280 2.281 20 10 CECDLO C[N@@H+](Cc1c(O)cc(F)cc1F)C1CCOCC1 ZINC001140582395 816292039 /nfs/dbraw/zinc/29/20/39/816292039.db2.gz HKGUNMNOXZYIHE-UHFFFAOYSA-N 1 2 257.280 2.281 20 10 CECDLO C[C@@]1(O)CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583869 816293253 /nfs/dbraw/zinc/29/32/53/816293253.db2.gz WSWJTIQQEPPDGL-CYBMUJFWSA-N 1 2 257.280 2.017 20 10 CECDLO C[C@@]1(O)CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583869 816293257 /nfs/dbraw/zinc/29/32/57/816293257.db2.gz WSWJTIQQEPPDGL-CYBMUJFWSA-N 1 2 257.280 2.017 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2C[C@H](CO)CC(F)(F)C2)c1 ZINC001140619683 816304970 /nfs/dbraw/zinc/30/49/70/816304970.db2.gz KJDKNBMAUYLLBL-LLVKDONJSA-N 1 2 271.307 2.150 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2C[C@H](CO)CC(F)(F)C2)c1 ZINC001140619683 816304978 /nfs/dbraw/zinc/30/49/78/816304978.db2.gz KJDKNBMAUYLLBL-LLVKDONJSA-N 1 2 271.307 2.150 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCCN(C)C(=O)C2)c(Cl)c1 ZINC001140924012 816412186 /nfs/dbraw/zinc/41/21/86/816412186.db2.gz ALSGSSMJACRBGM-UHFFFAOYSA-N 1 2 295.814 2.070 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCCN(C)C(=O)C2)c(Cl)c1 ZINC001140924012 816412187 /nfs/dbraw/zinc/41/21/87/816412187.db2.gz ALSGSSMJACRBGM-UHFFFAOYSA-N 1 2 295.814 2.070 20 10 CECDLO CC(C)N1CC[N@H+](Cc2cc(O)ccc2O)C[C@@H]1C ZINC001141163158 816493250 /nfs/dbraw/zinc/49/32/50/816493250.db2.gz SFTFLJLLWMTMME-LBPRGKRZSA-N 1 2 264.369 2.012 20 10 CECDLO CC(C)N1CC[N@@H+](Cc2cc(O)ccc2O)C[C@@H]1C ZINC001141163158 816493254 /nfs/dbraw/zinc/49/32/54/816493254.db2.gz SFTFLJLLWMTMME-LBPRGKRZSA-N 1 2 264.369 2.012 20 10 CECDLO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187913449 369248488 /nfs/dbraw/zinc/24/84/88/369248488.db2.gz GUHHQVJEYKRRLL-QQJLPTOTSA-N 1 2 277.336 2.088 20 10 CECDLO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000279124661 299442183 /nfs/dbraw/zinc/44/21/83/299442183.db2.gz QKQHZJWIWWCIBM-IUCAKERBSA-N 1 2 259.296 2.482 20 10 CECDLO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273538223 373761902 /nfs/dbraw/zinc/76/19/02/373761902.db2.gz XRJZJYKIGPGOME-VIFPVBQESA-N 1 2 276.296 2.183 20 10 CECDLO CC[C@H]([NH2+]Cc1nncn1CC)c1ccc(F)cc1O ZINC000285687696 375842082 /nfs/dbraw/zinc/84/20/82/375842082.db2.gz OFXAXUHBDQFBEB-LBPRGKRZSA-N 1 2 278.331 2.384 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ncnn1C ZINC000294661365 378004113 /nfs/dbraw/zinc/00/41/13/378004113.db2.gz LOCSFSUBSGVBOY-SSDOTTSWSA-N 1 2 284.722 2.164 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294807128 378021606 /nfs/dbraw/zinc/02/16/06/378021606.db2.gz NKWADNCBLDGHEA-UHFFFAOYSA-N 1 2 296.733 2.470 20 10 CECDLO COCc1cc(C[N@@H+](C)Cc2ccccc2O)no1 ZINC000297890208 378691027 /nfs/dbraw/zinc/69/10/27/378691027.db2.gz QYJUZUKHPZMABJ-UHFFFAOYSA-N 1 2 262.309 2.159 20 10 CECDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccccc2O)n1 ZINC000120489027 394779422 /nfs/dbraw/zinc/77/94/22/394779422.db2.gz BJGCQHKOQMTSKI-UHFFFAOYSA-N 1 2 273.336 2.082 20 10 CECDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000120489027 394779426 /nfs/dbraw/zinc/77/94/26/394779426.db2.gz BJGCQHKOQMTSKI-UHFFFAOYSA-N 1 2 273.336 2.082 20 10 CECDLO Cn1cc(CC[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000124721543 394840021 /nfs/dbraw/zinc/84/00/21/394840021.db2.gz MOSALPYXXPQXBM-UHFFFAOYSA-N 1 2 265.744 2.111 20 10 CECDLO COC(=O)[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC000037257175 173067524 /nfs/dbraw/zinc/06/75/24/173067524.db2.gz MXYZDESSKHUHBO-AWEZNQCLSA-N 1 2 265.353 2.291 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000037322598 260089450 /nfs/dbraw/zinc/08/94/50/260089450.db2.gz BGPVGPVXGAOJNE-AOOOYVTPSA-N 1 2 281.327 2.343 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000037322598 260089452 /nfs/dbraw/zinc/08/94/52/260089452.db2.gz BGPVGPVXGAOJNE-AOOOYVTPSA-N 1 2 281.327 2.343 20 10 CECDLO CN(C)c1ccc2c(c1)OCCN2CCCn1cc[nH+]c1 ZINC000179629616 261804412 /nfs/dbraw/zinc/80/44/12/261804412.db2.gz INVRTCSTDDNSSW-UHFFFAOYSA-N 1 2 286.379 2.238 20 10 CECDLO Cc1nnc(C[N@H+]2CC=C(c3ccc(N(C)C)cc3)C2)o1 ZINC000368033195 267139195 /nfs/dbraw/zinc/13/91/95/267139195.db2.gz DFZIOBHGQAITOR-UHFFFAOYSA-N 1 2 284.363 2.343 20 10 CECDLO Cc1nnc(C[N@@H+]2CC=C(c3ccc(N(C)C)cc3)C2)o1 ZINC000368033195 267139199 /nfs/dbraw/zinc/13/91/99/267139199.db2.gz DFZIOBHGQAITOR-UHFFFAOYSA-N 1 2 284.363 2.343 20 10 CECDLO COc1ccc(O)c(C[NH2+]C(C)(C)c2noc(C)n2)c1 ZINC000271867041 328198598 /nfs/dbraw/zinc/19/85/98/328198598.db2.gz LUNMCBBPWIXZFT-UHFFFAOYSA-N 1 2 277.324 2.117 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@](C)(O)C2)c1O ZINC000177371170 329183591 /nfs/dbraw/zinc/18/35/91/329183591.db2.gz SQFQIBHCRJEUSL-CQSZACIVSA-N 1 2 283.755 2.205 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2c1c(F)ccc2F ZINC000492941263 332419409 /nfs/dbraw/zinc/41/94/09/332419409.db2.gz OVWDCFWCNNNUDR-RJRFIUFISA-N 1 2 275.258 2.290 20 10 CECDLO Cc1cc(Cl)cc(C[NH2+][C@]2(C)CCOC2=O)c1O ZINC000291026795 524873879 /nfs/dbraw/zinc/87/38/79/524873879.db2.gz YEFVBDNXNVXZJM-CYBMUJFWSA-N 1 2 269.728 2.149 20 10 CECDLO Cc1cn[nH]c1C[NH2+]Cc1cccc(Br)c1O ZINC000291618990 526030248 /nfs/dbraw/zinc/03/02/48/526030248.db2.gz RLWRQFJNEAVEOX-UHFFFAOYSA-N 1 2 296.168 2.476 20 10 CECDLO Cc1c[nH]nc1C[NH2+]Cc1cccc(Br)c1O ZINC000291618990 526030259 /nfs/dbraw/zinc/03/02/59/526030259.db2.gz RLWRQFJNEAVEOX-UHFFFAOYSA-N 1 2 296.168 2.476 20 10 CECDLO CCOC(=O)[C@@H](CC1CC1)[NH2+]Cc1cc(OC)ccc1O ZINC000753568734 575330269 /nfs/dbraw/zinc/33/02/69/575330269.db2.gz MKLBWKKVWQHYRY-CQSZACIVSA-N 1 2 293.363 2.222 20 10 CECDLO COCC1C[NH+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000895970385 630423086 /nfs/dbraw/zinc/42/30/86/630423086.db2.gz VEYNTNHTUBIHFA-UHFFFAOYSA-N 1 2 259.708 2.263 20 10 CECDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](C(F)F)C2)c1O ZINC000802653657 631440565 /nfs/dbraw/zinc/44/05/65/631440565.db2.gz PRBPYMLIGLBQMD-GFCCVEGCSA-N 1 2 287.306 2.257 20 10 CECDLO CCOc1cccc(C[N@H+]2CCO[C@@H](C(F)F)C2)c1O ZINC000802653657 631440569 /nfs/dbraw/zinc/44/05/69/631440569.db2.gz PRBPYMLIGLBQMD-GFCCVEGCSA-N 1 2 287.306 2.257 20 10 CECDLO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000806170278 631724059 /nfs/dbraw/zinc/72/40/59/631724059.db2.gz PPCGYARHWYMXEG-IUCAKERBSA-N 1 2 258.312 2.271 20 10 CECDLO Cc1cc(C)c(O)c(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC000840134463 631950244 /nfs/dbraw/zinc/95/02/44/631950244.db2.gz WTUBFPLOPNEXRY-HIFRSBDPSA-N 1 2 260.381 2.145 20 10 CECDLO Cc1cc(C)c(O)c(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000840134463 631950246 /nfs/dbraw/zinc/95/02/46/631950246.db2.gz WTUBFPLOPNEXRY-HIFRSBDPSA-N 1 2 260.381 2.145 20 10 CECDLO CN(C)c1ncc(C[NH2+]Cc2cccc(Cl)c2O)n1C ZINC000898219173 632094411 /nfs/dbraw/zinc/09/44/11/632094411.db2.gz WDGPEMHBCWUPEX-UHFFFAOYSA-N 1 2 294.786 2.135 20 10 CECDLO COc1cc(O)c(C[NH2+]CC(C)(F)F)cc1OC ZINC000816643136 633455098 /nfs/dbraw/zinc/45/50/98/633455098.db2.gz WHOJPXRMPDTYGU-UHFFFAOYSA-N 1 2 261.268 2.154 20 10 CECDLO CCn1c[nH+]cc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000901436525 634113598 /nfs/dbraw/zinc/11/35/98/634113598.db2.gz UWVCWTOUXDETOD-WQLSENKSSA-N 1 2 290.392 2.359 20 10 CECDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000827001040 636185824 /nfs/dbraw/zinc/18/58/24/636185824.db2.gz RONFDGVBVZTHRF-NSHDSACASA-N 1 2 296.754 2.072 20 10 CECDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000827001040 636185836 /nfs/dbraw/zinc/18/58/36/636185836.db2.gz RONFDGVBVZTHRF-NSHDSACASA-N 1 2 296.754 2.072 20 10 CECDLO C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1O ZINC000827946207 636465830 /nfs/dbraw/zinc/46/58/30/636465830.db2.gz AKKQJODCOYJFJW-VXGBXAGGSA-N 1 2 285.347 2.029 20 10 CECDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)c1ccccc1O ZINC000827952599 636469205 /nfs/dbraw/zinc/46/92/05/636469205.db2.gz YGNIEGWPDLIQTH-GHMZBOCLSA-N 1 2 273.336 2.171 20 10 CECDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)c1ccccc1O ZINC000827952599 636469209 /nfs/dbraw/zinc/46/92/09/636469209.db2.gz YGNIEGWPDLIQTH-GHMZBOCLSA-N 1 2 273.336 2.171 20 10 CECDLO CN(CCO)c1ccc(N[C@H]2CCc3cccc(O)c32)[nH+]c1 ZINC000834729610 637930748 /nfs/dbraw/zinc/93/07/48/637930748.db2.gz IJRBQCGZMCUPFT-AWEZNQCLSA-N 1 2 299.374 2.315 20 10 CECDLO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000841032955 639625167 /nfs/dbraw/zinc/62/51/67/639625167.db2.gz KRBCJSJXVNNPNO-LLVKDONJSA-N 1 2 254.761 2.277 20 10 CECDLO COc1ccc(N(C)CC[N@H+](C)Cc2cnns2)cc1 ZINC000844402774 640709393 /nfs/dbraw/zinc/70/93/93/640709393.db2.gz VVPCSFLUOVRZEQ-UHFFFAOYSA-N 1 2 292.408 2.115 20 10 CECDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cnns2)cc1 ZINC000844402774 640709395 /nfs/dbraw/zinc/70/93/95/640709395.db2.gz VVPCSFLUOVRZEQ-UHFFFAOYSA-N 1 2 292.408 2.115 20 10 CECDLO O=C(CCCn1cc[nH+]c1)NCc1cc(Cl)ccc1O ZINC000846472692 641310858 /nfs/dbraw/zinc/31/08/58/641310858.db2.gz LMUPRSRZJGRQKZ-UHFFFAOYSA-N 1 2 293.754 2.339 20 10 CECDLO COc1cc(C[N@H+](C)Cc2nc(C)no2)c(O)cc1C ZINC000848505756 642018030 /nfs/dbraw/zinc/01/80/30/642018030.db2.gz QGICGPOQDGIHPY-UHFFFAOYSA-N 1 2 277.324 2.033 20 10 CECDLO COc1cc(C[N@@H+](C)Cc2nc(C)no2)c(O)cc1C ZINC000848505756 642018036 /nfs/dbraw/zinc/01/80/36/642018036.db2.gz QGICGPOQDGIHPY-UHFFFAOYSA-N 1 2 277.324 2.033 20 10 CECDLO Oc1c(C[N@@H+]2CCn3nncc3C2)ccc2ccccc21 ZINC000848921961 642194396 /nfs/dbraw/zinc/19/43/96/642194396.db2.gz KKVWCGUDUGVSIV-UHFFFAOYSA-N 1 2 280.331 2.153 20 10 CECDLO Oc1c(C[N@H+]2CCn3nncc3C2)ccc2ccccc21 ZINC000848921961 642194400 /nfs/dbraw/zinc/19/44/00/642194400.db2.gz KKVWCGUDUGVSIV-UHFFFAOYSA-N 1 2 280.331 2.153 20 10 CECDLO Cc1noc([C@H](C)[N@H+](C)Cc2cc(F)ccc2O)n1 ZINC000848926352 642198075 /nfs/dbraw/zinc/19/80/75/642198075.db2.gz VMDNVMHVDGTZOH-QMMMGPOBSA-N 1 2 265.288 2.416 20 10 CECDLO Cc1noc([C@H](C)[N@@H+](C)Cc2cc(F)ccc2O)n1 ZINC000848926352 642198078 /nfs/dbraw/zinc/19/80/78/642198078.db2.gz VMDNVMHVDGTZOH-QMMMGPOBSA-N 1 2 265.288 2.416 20 10 CECDLO O=C1O[C@@H](C[NH2+]Cc2cccc(Cl)c2O)CN1C1CC1 ZINC000848928143 642198158 /nfs/dbraw/zinc/19/81/58/642198158.db2.gz ADUQBQVLVGDOCH-NSHDSACASA-N 1 2 296.754 2.118 20 10 CECDLO COC(=O)C1CC([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000877721540 650870085 /nfs/dbraw/zinc/87/00/85/650870085.db2.gz QOXJQFTULMZBLY-UHFFFAOYSA-N 1 2 287.718 2.226 20 10 CECDLO CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c(O)c1 ZINC000769465540 646272764 /nfs/dbraw/zinc/27/27/64/646272764.db2.gz HCWIHTXLNDEAIQ-ZBUHCNDUSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c(O)c1 ZINC000769465540 646272768 /nfs/dbraw/zinc/27/27/68/646272768.db2.gz HCWIHTXLNDEAIQ-ZBUHCNDUSA-N 1 2 297.420 2.132 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000770304373 646378877 /nfs/dbraw/zinc/37/88/77/646378877.db2.gz MLNIWOYNVCCFIS-LSDHHAIUSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000770304373 646378883 /nfs/dbraw/zinc/37/88/83/646378883.db2.gz MLNIWOYNVCCFIS-LSDHHAIUSA-N 1 2 297.782 2.425 20 10 CECDLO COCC1(C)C[NH+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862390242 646432790 /nfs/dbraw/zinc/43/27/90/646432790.db2.gz UULKEHDLAFRHFG-UHFFFAOYSA-N 1 2 284.350 2.499 20 10 CECDLO CN(CC[NH2+]Cc1cc(Cl)cc(F)c1O)CC(F)F ZINC000862550088 646495256 /nfs/dbraw/zinc/49/52/56/646495256.db2.gz IQMLSZMBTHRNDC-UHFFFAOYSA-N 1 2 296.720 2.471 20 10 CECDLO COC[C@@]1(C)C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000862552380 646496697 /nfs/dbraw/zinc/49/66/97/646496697.db2.gz XJEXZUDHLULIHQ-CQSZACIVSA-N 1 2 285.771 2.283 20 10 CECDLO COC[C@@]1(C)C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000862552380 646496703 /nfs/dbraw/zinc/49/67/03/646496703.db2.gz XJEXZUDHLULIHQ-CQSZACIVSA-N 1 2 285.771 2.283 20 10 CECDLO CCOc1ccc(C[N@@H+]2CCc3c(ncn3C)C2)c(O)c1 ZINC000772602142 646648362 /nfs/dbraw/zinc/64/83/62/646648362.db2.gz TZSWGPJNZRFGBP-UHFFFAOYSA-N 1 2 287.363 2.083 20 10 CECDLO CCOc1ccc(C[N@H+]2CCc3c(ncn3C)C2)c(O)c1 ZINC000772602142 646648366 /nfs/dbraw/zinc/64/83/66/646648366.db2.gz TZSWGPJNZRFGBP-UHFFFAOYSA-N 1 2 287.363 2.083 20 10 CECDLO CCN(C)c1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000773798060 646776900 /nfs/dbraw/zinc/77/69/00/646776900.db2.gz RCTOICVUYGPHEJ-UHFFFAOYSA-N 1 2 270.380 2.424 20 10 CECDLO CCN(C)c1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000773798060 646776910 /nfs/dbraw/zinc/77/69/10/646776910.db2.gz RCTOICVUYGPHEJ-UHFFFAOYSA-N 1 2 270.380 2.424 20 10 CECDLO COc1c(O)c(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058645 646920557 /nfs/dbraw/zinc/92/05/57/646920557.db2.gz VUYPUEZRLUGKGT-ONGXEEELSA-N 1 2 298.314 2.489 20 10 CECDLO COc1c(O)c(C[N@H+]2CC[C@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058645 646920561 /nfs/dbraw/zinc/92/05/61/646920561.db2.gz VUYPUEZRLUGKGT-ONGXEEELSA-N 1 2 298.314 2.489 20 10 CECDLO CN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776099455 647023341 /nfs/dbraw/zinc/02/33/41/647023341.db2.gz RMSWKDUSGKIJKY-NSHDSACASA-N 1 2 272.751 2.369 20 10 CECDLO C[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1ccc(N(C)C)cc1 ZINC000793855640 648806116 /nfs/dbraw/zinc/80/61/16/648806116.db2.gz KXKDHYHAYLDWNB-LBPRGKRZSA-N 1 2 286.379 2.286 20 10 CECDLO C[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1ccc(N(C)C)cc1 ZINC000793855640 648806120 /nfs/dbraw/zinc/80/61/20/648806120.db2.gz KXKDHYHAYLDWNB-LBPRGKRZSA-N 1 2 286.379 2.286 20 10 CECDLO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000128179844 651382183 /nfs/dbraw/zinc/38/21/83/651382183.db2.gz LAPNKKFRBOQTLP-WDEREUQCSA-N 1 2 255.745 2.295 20 10 CECDLO COc1cc(Cl)cc(C[NH2+]Cc2csnn2)c1O ZINC000398236989 802812326 /nfs/dbraw/zinc/81/23/26/802812326.db2.gz AMDGCFGDRRSMKJ-UHFFFAOYSA-N 1 2 285.756 2.196 20 10 CECDLO OC[C@@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583099 803178956 /nfs/dbraw/zinc/17/89/56/803178956.db2.gz WCXOCPUZMAYDHO-SNVBAGLBSA-N 1 2 271.307 2.265 20 10 CECDLO OC[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583099 803178963 /nfs/dbraw/zinc/17/89/63/803178963.db2.gz WCXOCPUZMAYDHO-SNVBAGLBSA-N 1 2 271.307 2.265 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)[C@@H]1C ZINC001140583947 803183461 /nfs/dbraw/zinc/18/34/61/803183461.db2.gz ZQKNGUKDZDVGNK-MWLCHTKSSA-N 1 2 299.317 2.444 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)[C@@H]1C ZINC001140583947 803183463 /nfs/dbraw/zinc/18/34/63/803183463.db2.gz ZQKNGUKDZDVGNK-MWLCHTKSSA-N 1 2 299.317 2.444 20 10 CECDLO [O-]c1c(F)c(F)ccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000703340453 809642777 /nfs/dbraw/zinc/64/27/77/809642777.db2.gz JOUVEAHDSZSHBY-UHFFFAOYSA-N 1 2 281.306 2.437 20 10 CECDLO CCCN(Cc1ccccc1O)C(=O)C[C@@H]([NH3+])C(F)F ZINC001121862730 815361564 /nfs/dbraw/zinc/36/15/64/815361564.db2.gz OYWCXAYVJKLJMC-LLVKDONJSA-N 1 2 286.322 2.113 20 10 CECDLO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1csnn1 ZINC000398461877 813674242 /nfs/dbraw/zinc/67/42/42/813674242.db2.gz JELXGOFKYBDOFZ-JTQLQIEISA-N 1 2 262.382 2.455 20 10 CECDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(C)ccc1O)C1CC1 ZINC001116755755 814879571 /nfs/dbraw/zinc/87/95/71/814879571.db2.gz TYUSSSWQGDALKB-AWEZNQCLSA-N 1 2 263.337 2.132 20 10 CECDLO COc1cc2c(cn1)CC[N@H+](Cc1c(O)cccc1F)C2 ZINC001137841573 815694409 /nfs/dbraw/zinc/69/44/09/815694409.db2.gz KGUNJNAWOQDWSJ-UHFFFAOYSA-N 1 2 288.322 2.493 20 10 CECDLO COc1cc2c(cn1)CC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001137841573 815694415 /nfs/dbraw/zinc/69/44/15/815694415.db2.gz KGUNJNAWOQDWSJ-UHFFFAOYSA-N 1 2 288.322 2.493 20 10 CECDLO CN1C[C@@H]2CCC[N@@H+](Cc3c(O)cccc3F)[C@@H]2C1 ZINC001137838900 815695795 /nfs/dbraw/zinc/69/57/95/815695795.db2.gz MEERLONKGVDFAF-SMDDNHRTSA-N 1 2 264.344 2.057 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC=CC1 ZINC001139126234 815965529 /nfs/dbraw/zinc/96/55/29/815965529.db2.gz CBFKGRFXDSEMBO-UHFFFAOYSA-N 1 2 257.289 2.179 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001140582223 816290366 /nfs/dbraw/zinc/29/03/66/816290366.db2.gz FERDCYFBJOKJSZ-AWEZNQCLSA-N 1 2 269.291 2.425 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001140582223 816290374 /nfs/dbraw/zinc/29/03/74/816290374.db2.gz FERDCYFBJOKJSZ-AWEZNQCLSA-N 1 2 269.291 2.425 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582406 816291651 /nfs/dbraw/zinc/29/16/51/816291651.db2.gz IGBAXKUQWSEBNX-SECBINFHSA-N 1 2 285.290 2.055 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582406 816291658 /nfs/dbraw/zinc/29/16/58/816291658.db2.gz IGBAXKUQWSEBNX-SECBINFHSA-N 1 2 285.290 2.055 20 10 CECDLO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583554 816292284 /nfs/dbraw/zinc/29/22/84/816292284.db2.gz LGQZAPLJSWIGRX-OAHLLOKOSA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)[C@]1(C)CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583554 816292288 /nfs/dbraw/zinc/29/22/88/816292288.db2.gz LGQZAPLJSWIGRX-OAHLLOKOSA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)CC[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583867 816292762 /nfs/dbraw/zinc/29/27/62/816292762.db2.gz WQSYCEIZHDBTCF-SNVBAGLBSA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)CC[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583867 816292768 /nfs/dbraw/zinc/29/27/68/816292768.db2.gz WQSYCEIZHDBTCF-SNVBAGLBSA-N 1 2 299.317 2.446 20 10 CECDLO CCC[NH+]1CCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140583568 816292947 /nfs/dbraw/zinc/29/29/47/816292947.db2.gz LOFZUQMICJVJEX-UHFFFAOYSA-N 1 2 270.323 2.198 20 10 CECDLO CC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584511 816293284 /nfs/dbraw/zinc/29/32/84/816293284.db2.gz USQZKDTWENNBBQ-SECBINFHSA-N 1 2 255.264 2.081 20 10 CECDLO CC(=O)[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584511 816293288 /nfs/dbraw/zinc/29/32/88/816293288.db2.gz USQZKDTWENNBBQ-SECBINFHSA-N 1 2 255.264 2.081 20 10 CECDLO CC(=O)N1CCC([N@H+](C)Cc2c(O)cc(F)cc2F)CC1 ZINC001140583873 816293873 /nfs/dbraw/zinc/29/38/73/816293873.db2.gz WYDRBHDXDSSRAS-UHFFFAOYSA-N 1 2 298.333 2.113 20 10 CECDLO CC(=O)N1CCC([N@@H+](C)Cc2c(O)cc(F)cc2F)CC1 ZINC001140583873 816293879 /nfs/dbraw/zinc/29/38/79/816293879.db2.gz WYDRBHDXDSSRAS-UHFFFAOYSA-N 1 2 298.333 2.113 20 10 CECDLO CC(=O)[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143116796 816787717 /nfs/dbraw/zinc/78/77/17/816787717.db2.gz KYMVMCNEWDZKEV-HNNXBMFYSA-N 1 2 291.391 2.480 20 10 CECDLO CC(=O)[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143116796 816787723 /nfs/dbraw/zinc/78/77/23/816787723.db2.gz KYMVMCNEWDZKEV-HNNXBMFYSA-N 1 2 291.391 2.480 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3n[nH]cc3C2)c1O ZINC000091077792 344151631 /nfs/dbraw/zinc/15/16/31/344151631.db2.gz ZWYQBBJCMABWAO-UHFFFAOYSA-N 1 2 289.310 2.015 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCc3n[nH]cc3C2)c1O ZINC000091077792 344151634 /nfs/dbraw/zinc/15/16/34/344151634.db2.gz ZWYQBBJCMABWAO-UHFFFAOYSA-N 1 2 289.310 2.015 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H]1CO ZINC000191723550 369737087 /nfs/dbraw/zinc/73/70/87/369737087.db2.gz RWIIAQMVKQTWPN-KOLCDFICSA-N 1 2 255.745 2.106 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1CO ZINC000191723550 369737091 /nfs/dbraw/zinc/73/70/91/369737091.db2.gz RWIIAQMVKQTWPN-KOLCDFICSA-N 1 2 255.745 2.106 20 10 CECDLO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000279124662 296170771 /nfs/dbraw/zinc/17/07/71/296170771.db2.gz QKQHZJWIWWCIBM-RKDXNWHRSA-N 1 2 259.296 2.482 20 10 CECDLO COc1ccc2c(c1)CCCC[N@H+]2CCCS(C)(=O)=O ZINC000270887919 373001179 /nfs/dbraw/zinc/00/11/79/373001179.db2.gz OMDIFVMSRAPLOD-UHFFFAOYSA-N 1 2 297.420 2.273 20 10 CECDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCS(C)(=O)=O ZINC000270887919 373001188 /nfs/dbraw/zinc/00/11/88/373001188.db2.gz OMDIFVMSRAPLOD-UHFFFAOYSA-N 1 2 297.420 2.273 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ncn(C)n1 ZINC000275774203 374219621 /nfs/dbraw/zinc/21/96/21/374219621.db2.gz VFFSEGNROMTZHP-IUCAKERBSA-N 1 2 264.304 2.072 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCC[C@H]1O ZINC000289526437 376397964 /nfs/dbraw/zinc/39/79/64/376397964.db2.gz HIXAYIXJWHTHIE-VXGBXAGGSA-N 1 2 255.745 2.391 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCC[C@H]1O ZINC000289526437 376397968 /nfs/dbraw/zinc/39/79/68/376397968.db2.gz HIXAYIXJWHTHIE-VXGBXAGGSA-N 1 2 255.745 2.391 20 10 CECDLO CN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccc(F)cc21 ZINC000493009491 380760818 /nfs/dbraw/zinc/76/08/18/380760818.db2.gz WCPBJNICAWLXJA-HYXAFXHYSA-N 1 2 286.310 2.045 20 10 CECDLO C[C@@H](Cn1cccn1)[NH2+]Cc1cccc(Cl)c1O ZINC000124699843 394838876 /nfs/dbraw/zinc/83/88/76/394838876.db2.gz ZEERIPUPRGCELZ-JTQLQIEISA-N 1 2 265.744 2.420 20 10 CECDLO CCC[N@H+](CC(=O)OC)Cc1cccc(Cl)c1O ZINC000183377452 395256232 /nfs/dbraw/zinc/25/62/32/395256232.db2.gz PVYQXNHACFGQKP-UHFFFAOYSA-N 1 2 271.744 2.431 20 10 CECDLO CCC[N@@H+](CC(=O)OC)Cc1cccc(Cl)c1O ZINC000183377452 395256235 /nfs/dbraw/zinc/25/62/35/395256235.db2.gz PVYQXNHACFGQKP-UHFFFAOYSA-N 1 2 271.744 2.431 20 10 CECDLO C[C@H](O)CC[NH2+]Cc1cccc(Br)c1O ZINC000078780336 177387567 /nfs/dbraw/zinc/38/75/67/177387567.db2.gz CFYCCYLAKRCYEG-QMMMGPOBSA-N 1 2 274.158 2.015 20 10 CECDLO Cc1c2ccccc2n(C)c1CNC(=O)CCn1cc[nH+]c1 ZINC000348666064 226506001 /nfs/dbraw/zinc/50/60/01/226506001.db2.gz LJNOMLNDOTXQRD-UHFFFAOYSA-N 1 2 296.374 2.390 20 10 CECDLO COc1cc(O)c(C[N@H+](C)Cc2nccs2)cc1OC ZINC000160339853 261211640 /nfs/dbraw/zinc/21/16/40/261211640.db2.gz PIQFYLVZEFHSFE-UHFFFAOYSA-N 1 2 294.376 2.498 20 10 CECDLO COc1cc(O)c(C[N@@H+](C)Cc2nccs2)cc1OC ZINC000160339853 261211641 /nfs/dbraw/zinc/21/16/41/261211641.db2.gz PIQFYLVZEFHSFE-UHFFFAOYSA-N 1 2 294.376 2.498 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCCCNC1=O ZINC000367725073 267113683 /nfs/dbraw/zinc/11/36/83/267113683.db2.gz RCDGQFZHILSYSC-LBPRGKRZSA-N 1 2 282.771 2.146 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCCCNC1=O ZINC000367725073 267113685 /nfs/dbraw/zinc/11/36/85/267113685.db2.gz RCDGQFZHILSYSC-LBPRGKRZSA-N 1 2 282.771 2.146 20 10 CECDLO CC[N@H+](CC(=O)OC)Cc1cc(Cl)cc(OC)c1O ZINC000273731428 328206021 /nfs/dbraw/zinc/20/60/21/328206021.db2.gz KFBMPDXHDRJVAP-UHFFFAOYSA-N 1 2 287.743 2.049 20 10 CECDLO CC[N@@H+](CC(=O)OC)Cc1cc(Cl)cc(OC)c1O ZINC000273731428 328206022 /nfs/dbraw/zinc/20/60/22/328206022.db2.gz KFBMPDXHDRJVAP-UHFFFAOYSA-N 1 2 287.743 2.049 20 10 CECDLO COc1cccc(CNc2cccc(-n3cc[nH+]c3)n2)c1O ZINC000378432364 329050060 /nfs/dbraw/zinc/05/00/60/329050060.db2.gz HMVHTCZWEDAAKK-UHFFFAOYSA-N 1 2 296.330 2.016 20 10 CECDLO Cc1cn2c(n1)C[N@@H+](Cc1cccc(C)c1O)CC2 ZINC000378639252 329057607 /nfs/dbraw/zinc/05/76/07/329057607.db2.gz TVTUEGRYUJJFPO-UHFFFAOYSA-N 1 2 257.337 2.221 20 10 CECDLO Cc1cn2c(n1)C[N@H+](Cc1cccc(C)c1O)CC2 ZINC000378639252 329057608 /nfs/dbraw/zinc/05/76/08/329057608.db2.gz TVTUEGRYUJJFPO-UHFFFAOYSA-N 1 2 257.337 2.221 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000043426177 518286019 /nfs/dbraw/zinc/28/60/19/518286019.db2.gz HEHKYMDNPCEWQI-LSDHHAIUSA-N 1 2 293.338 2.487 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000043426177 518286026 /nfs/dbraw/zinc/28/60/26/518286026.db2.gz HEHKYMDNPCEWQI-LSDHHAIUSA-N 1 2 293.338 2.487 20 10 CECDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@H]1OC ZINC000274934350 520429232 /nfs/dbraw/zinc/42/92/32/520429232.db2.gz PCDRQVPXHKPIER-OUCADQQQSA-N 1 2 285.771 2.328 20 10 CECDLO COc1c(O)c(C[N@@H+]2CCC=C(F)C2)ccc1[N+](=O)[O-] ZINC000278540981 521869927 /nfs/dbraw/zinc/86/99/27/521869927.db2.gz XFSDUJBIHIRSIH-UHFFFAOYSA-N 1 2 282.271 2.368 20 10 CECDLO COc1c(O)c(C[N@H+]2CCC=C(F)C2)ccc1[N+](=O)[O-] ZINC000278540981 521869934 /nfs/dbraw/zinc/86/99/34/521869934.db2.gz XFSDUJBIHIRSIH-UHFFFAOYSA-N 1 2 282.271 2.368 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H](C)[S@@]1=O ZINC000289678367 523447667 /nfs/dbraw/zinc/44/76/67/523447667.db2.gz NVPUNPQTVMJWEV-NMLGDKRHSA-N 1 2 285.384 2.263 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H](C)[S@@]1=O ZINC000289678367 523447660 /nfs/dbraw/zinc/44/76/60/523447660.db2.gz NVPUNPQTVMJWEV-NMLGDKRHSA-N 1 2 285.384 2.263 20 10 CECDLO C[C@H]([NH2+]CC1(C)OCCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000277101389 525315624 /nfs/dbraw/zinc/31/56/24/525315624.db2.gz HBCAINVKUQRSTG-JTQLQIEISA-N 1 2 296.323 2.104 20 10 CECDLO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(F)c(F)c1O ZINC000276894759 525621863 /nfs/dbraw/zinc/62/18/63/525621863.db2.gz IGBWSPNDGRUOPH-RNSXUZJQSA-N 1 2 257.280 2.498 20 10 CECDLO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(F)c(F)c1O ZINC000276986862 525639450 /nfs/dbraw/zinc/63/94/50/525639450.db2.gz WUASNRXCRZVGJP-SWPVVBRQSA-N 1 2 271.307 2.480 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCOCC(F)F ZINC000189004697 526326609 /nfs/dbraw/zinc/32/66/09/526326609.db2.gz GLNYDUWIUJLWTC-UHFFFAOYSA-N 1 2 265.687 2.417 20 10 CECDLO CCNC(=S)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726493463 574427013 /nfs/dbraw/zinc/42/70/13/574427013.db2.gz MMHOXHJAYZUXAZ-UHFFFAOYSA-N 1 2 293.436 2.148 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000732285673 574618002 /nfs/dbraw/zinc/61/80/02/574618002.db2.gz FKQPLHUQNMQGIK-SNVBAGLBSA-N 1 2 277.349 2.128 20 10 CECDLO COc1ccc(N(C)Cc2[nH+]ccn2C)cc1OC ZINC000750522921 575266951 /nfs/dbraw/zinc/26/69/51/575266951.db2.gz ZQXSPXAQUHSPLB-UHFFFAOYSA-N 1 2 261.325 2.074 20 10 CECDLO COc1ccc2c(c1)CCCN2Cc1[nH+]ccn1C ZINC000750518665 575266983 /nfs/dbraw/zinc/26/69/83/575266983.db2.gz PKDMEZCEIMTHAC-UHFFFAOYSA-N 1 2 257.337 2.382 20 10 CECDLO CC(=O)N1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840907450 628366682 /nfs/dbraw/zinc/36/66/82/628366682.db2.gz FBNBZRSSVROKNE-UHFFFAOYSA-N 1 2 282.771 2.018 20 10 CECDLO CNc1cc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)nc[nH+]1 ZINC000894485417 629487387 /nfs/dbraw/zinc/48/73/87/629487387.db2.gz MNVMRAKQTYSJRT-GFCCVEGCSA-N 1 2 299.378 2.218 20 10 CECDLO CNc1cc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)[nH+]cn1 ZINC000894485417 629487388 /nfs/dbraw/zinc/48/73/88/629487388.db2.gz MNVMRAKQTYSJRT-GFCCVEGCSA-N 1 2 299.378 2.218 20 10 CECDLO CC(C)(C)n1cc(C[NH2+]Cc2c(O)cccc2F)nn1 ZINC000896637174 630620945 /nfs/dbraw/zinc/62/09/45/630620945.db2.gz KFCVEQVSEMOCNE-UHFFFAOYSA-N 1 2 278.331 2.168 20 10 CECDLO CC1(C)CCN(CC[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000898032318 632024366 /nfs/dbraw/zinc/02/43/66/632024366.db2.gz ZWPTZCZWYUGPSL-UHFFFAOYSA-N 1 2 284.350 2.492 20 10 CECDLO CCCn1cc(C[NH2+]Cc2cccc(Cl)c2O)nn1 ZINC000898214562 632091161 /nfs/dbraw/zinc/09/11/61/632091161.db2.gz DHHMBGOTDFKNPN-UHFFFAOYSA-N 1 2 280.759 2.337 20 10 CECDLO Oc1ccccc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000840253334 632528062 /nfs/dbraw/zinc/52/80/62/632528062.db2.gz IPCBIUKMVQYXAN-UHFFFAOYSA-N 1 2 256.309 2.369 20 10 CECDLO Oc1ccccc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000840253334 632528065 /nfs/dbraw/zinc/52/80/65/632528065.db2.gz IPCBIUKMVQYXAN-UHFFFAOYSA-N 1 2 256.309 2.369 20 10 CECDLO CON1CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000817419797 633656088 /nfs/dbraw/zinc/65/60/88/633656088.db2.gz YCVKMSBRNLDZAR-UHFFFAOYSA-N 1 2 288.750 2.300 20 10 CECDLO CON1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000817589109 633702423 /nfs/dbraw/zinc/70/24/23/633702423.db2.gz UGZYEIAUOFHYII-VIFPVBQESA-N 1 2 286.322 2.347 20 10 CECDLO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1O ZINC000817949366 633794361 /nfs/dbraw/zinc/79/43/61/633794361.db2.gz JWHPXMIDSRLWTH-CMPLNLGQSA-N 1 2 252.333 2.324 20 10 CECDLO COC[C@@](C)(O)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824559369 635450486 /nfs/dbraw/zinc/45/04/86/635450486.db2.gz QUBIUVXTAAKBFJ-ZDUSSCGKSA-N 1 2 291.750 2.062 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000832219216 637521303 /nfs/dbraw/zinc/52/13/03/637521303.db2.gz ATSBHQFTHVERKS-AMIZOPFISA-N 1 2 283.755 2.203 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000832219216 637521309 /nfs/dbraw/zinc/52/13/09/637521309.db2.gz ATSBHQFTHVERKS-AMIZOPFISA-N 1 2 283.755 2.203 20 10 CECDLO COc1cc(C)cc(C[N@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000164502086 639380144 /nfs/dbraw/zinc/38/01/44/639380144.db2.gz ARWRNIPXFJYIDT-LBPRGKRZSA-N 1 2 295.379 2.481 20 10 CECDLO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c1O ZINC000164502086 639380151 /nfs/dbraw/zinc/38/01/51/639380151.db2.gz ARWRNIPXFJYIDT-LBPRGKRZSA-N 1 2 295.379 2.481 20 10 CECDLO C[C@@H](CC[NH2+]Cc1cccc(Cl)c1O)[S@](C)=O ZINC000165398591 639428964 /nfs/dbraw/zinc/42/89/64/639428964.db2.gz RCAGFZMYYCJWME-HUTHGQBESA-N 1 2 275.801 2.292 20 10 CECDLO Cc1cc(O)c(C[N@H+](C)CC(=O)N2CCCC2)c(Cl)c1 ZINC000840909284 639582341 /nfs/dbraw/zinc/58/23/41/639582341.db2.gz GBEJPWKJGNXWOF-UHFFFAOYSA-N 1 2 296.798 2.408 20 10 CECDLO Cc1cc(O)c(C[N@@H+](C)CC(=O)N2CCCC2)c(Cl)c1 ZINC000840909284 639582351 /nfs/dbraw/zinc/58/23/51/639582351.db2.gz GBEJPWKJGNXWOF-UHFFFAOYSA-N 1 2 296.798 2.408 20 10 CECDLO C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000843058858 640261770 /nfs/dbraw/zinc/26/17/70/640261770.db2.gz ZPQHOUWNHZZWPV-DTWKUNHWSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000843058858 640261776 /nfs/dbraw/zinc/26/17/76/640261776.db2.gz ZPQHOUWNHZZWPV-DTWKUNHWSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@@H](CCO)[N@H+](C)Cc1cccc(Br)c1O ZINC000846111487 641185881 /nfs/dbraw/zinc/18/58/81/641185881.db2.gz PXESKWXXBKGVSZ-VIFPVBQESA-N 1 2 288.185 2.357 20 10 CECDLO C[C@@H](CCO)[N@@H+](C)Cc1cccc(Br)c1O ZINC000846111487 641185883 /nfs/dbraw/zinc/18/58/83/641185883.db2.gz PXESKWXXBKGVSZ-VIFPVBQESA-N 1 2 288.185 2.357 20 10 CECDLO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877595628 650807552 /nfs/dbraw/zinc/80/75/52/650807552.db2.gz GQVLXUBQAHIAQP-SCZZXKLOSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877595628 650807555 /nfs/dbraw/zinc/80/75/55/650807555.db2.gz GQVLXUBQAHIAQP-SCZZXKLOSA-N 1 2 257.280 2.016 20 10 CECDLO COc1cc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)on1 ZINC000877635571 650826755 /nfs/dbraw/zinc/82/67/55/650826755.db2.gz WYBNVLVVQVKWOO-UHFFFAOYSA-N 1 2 297.305 2.317 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000877677297 650845684 /nfs/dbraw/zinc/84/56/84/650845684.db2.gz RJCHMJMOCZELOD-VIFPVBQESA-N 1 2 283.677 2.290 20 10 CECDLO CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1cccc(Cl)c1O ZINC000806140726 644425567 /nfs/dbraw/zinc/42/55/67/644425567.db2.gz ZOSPYCBZKMWRLU-TZMCWYRMSA-N 1 2 287.787 2.484 20 10 CECDLO CO[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOC1 ZINC000764680844 645674647 /nfs/dbraw/zinc/67/46/47/645674647.db2.gz BYPTYAYRVAAJMB-ZDUSSCGKSA-N 1 2 289.734 2.080 20 10 CECDLO C[C@H]1C[C@@H]([NH2+]CC(F)(F)CO)c2c1c(F)ccc2O ZINC000768285118 646104447 /nfs/dbraw/zinc/10/44/47/646104447.db2.gz DVKWCTYIDNOBGG-IONNQARKSA-N 1 2 275.270 2.297 20 10 CECDLO COC[C@@]1(C)C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000862552418 646496680 /nfs/dbraw/zinc/49/66/80/646496680.db2.gz YGTNHCWJVVDNGM-MRXNPFEDSA-N 1 2 296.386 2.129 20 10 CECDLO COC[C@@]1(C)C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1 ZINC000862552418 646496682 /nfs/dbraw/zinc/49/66/82/646496682.db2.gz YGTNHCWJVVDNGM-MRXNPFEDSA-N 1 2 296.386 2.129 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCOCC1 ZINC000775656366 646977154 /nfs/dbraw/zinc/97/71/54/646977154.db2.gz RQUKHGDFNQCIIG-UHFFFAOYSA-N 1 2 259.708 2.407 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCOCC1 ZINC000775656366 646977156 /nfs/dbraw/zinc/97/71/56/646977156.db2.gz RQUKHGDFNQCIIG-UHFFFAOYSA-N 1 2 259.708 2.407 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783727290 647752373 /nfs/dbraw/zinc/75/23/73/647752373.db2.gz AMJUMKZJLNNDQE-CQSZACIVSA-N 1 2 289.423 2.195 20 10 CECDLO CCN(CC)c1ccc(C[N@H+]2CC(=O)N(C)C[C@H]2C)cc1 ZINC000783727290 647752375 /nfs/dbraw/zinc/75/23/75/647752375.db2.gz AMJUMKZJLNNDQE-CQSZACIVSA-N 1 2 289.423 2.195 20 10 CECDLO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cc(F)cc(F)c1O ZINC000788984312 648241904 /nfs/dbraw/zinc/24/19/04/648241904.db2.gz KNXPSXHCAJWXTA-ATZCPNFKSA-N 1 2 271.307 2.482 20 10 CECDLO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nncn1C ZINC000790959984 648464842 /nfs/dbraw/zinc/46/48/42/648464842.db2.gz QAJRKNYNYCIEIE-SSDOTTSWSA-N 1 2 284.722 2.164 20 10 CECDLO COc1ccc(N2CC[C@@H](Nc3cc[nH+]cc3F)C2)cc1 ZINC000882578661 652143805 /nfs/dbraw/zinc/14/38/05/652143805.db2.gz SMLXGBVHYYTCGN-GFCCVEGCSA-N 1 2 287.338 2.342 20 10 CECDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(F)F)c1 ZINC000883399715 652456006 /nfs/dbraw/zinc/45/60/06/652456006.db2.gz UCQYXFXGZYOEAO-HTQZYQBOSA-N 1 2 273.279 2.483 20 10 CECDLO Cc1cc(C[N@H+](C)Cc2cc(F)c(F)cc2O)n(C)n1 ZINC001142520509 806614510 /nfs/dbraw/zinc/61/45/10/806614510.db2.gz LDFGPIIRQMXKCU-UHFFFAOYSA-N 1 2 281.306 2.344 20 10 CECDLO Cc1cc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)n(C)n1 ZINC001142520509 806614515 /nfs/dbraw/zinc/61/45/15/806614515.db2.gz LDFGPIIRQMXKCU-UHFFFAOYSA-N 1 2 281.306 2.344 20 10 CECDLO C[N@H+](Cc1ccncn1)Cc1cc(F)c(F)cc1O ZINC001142534569 806623550 /nfs/dbraw/zinc/62/35/50/806623550.db2.gz OGGCNBVOETXRRG-UHFFFAOYSA-N 1 2 265.263 2.092 20 10 CECDLO C[N@@H+](Cc1ccncn1)Cc1cc(F)c(F)cc1O ZINC001142534569 806623557 /nfs/dbraw/zinc/62/35/57/806623557.db2.gz OGGCNBVOETXRRG-UHFFFAOYSA-N 1 2 265.263 2.092 20 10 CECDLO Oc1ccc(F)c(Cl)c1CN1CC[NH2+]CC(F)(F)C1 ZINC001211348001 802813652 /nfs/dbraw/zinc/81/36/52/802813652.db2.gz VOSYPVSCUNHQQD-UHFFFAOYSA-N 1 2 294.704 2.225 20 10 CECDLO C[C@H]1COCCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000703518018 809653662 /nfs/dbraw/zinc/65/36/62/809653662.db2.gz OIERIRVEXLUALV-VIFPVBQESA-N 1 2 257.280 2.281 20 10 CECDLO CC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137839137 809816972 /nfs/dbraw/zinc/81/69/72/809816972.db2.gz SVLQBTDETIJWAH-CYBMUJFWSA-N 1 2 251.301 2.475 20 10 CECDLO CC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137839137 809816976 /nfs/dbraw/zinc/81/69/76/809816976.db2.gz SVLQBTDETIJWAH-CYBMUJFWSA-N 1 2 251.301 2.475 20 10 CECDLO C[C@@H](CCCCO)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708481774 809931154 /nfs/dbraw/zinc/93/11/54/809931154.db2.gz UMSQHWJDVCXHBJ-VIFPVBQESA-N 1 2 259.296 2.311 20 10 CECDLO Cc1nnc(C[NH2+]Cc2cc(F)cc(F)c2O)s1 ZINC000708536283 809945873 /nfs/dbraw/zinc/94/58/73/809945873.db2.gz YJDXQGXXJLBPMJ-UHFFFAOYSA-N 1 2 271.292 2.120 20 10 CECDLO CCN1CCC[N@H+](Cc2c(O)cccc2F)CC1 ZINC001137831892 815690737 /nfs/dbraw/zinc/69/07/37/815690737.db2.gz REJSLCQXXZGXEQ-UHFFFAOYSA-N 1 2 252.333 2.059 20 10 CECDLO CCN1CCC[N@@H+](Cc2c(O)cccc2F)CC1 ZINC001137831892 815690739 /nfs/dbraw/zinc/69/07/39/815690739.db2.gz REJSLCQXXZGXEQ-UHFFFAOYSA-N 1 2 252.333 2.059 20 10 CECDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137837902 815692058 /nfs/dbraw/zinc/69/20/58/815692058.db2.gz YKOIMPDDEUPVBT-CYBMUJFWSA-N 1 2 281.327 2.449 20 10 CECDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137837902 815692060 /nfs/dbraw/zinc/69/20/60/815692060.db2.gz YKOIMPDDEUPVBT-CYBMUJFWSA-N 1 2 281.327 2.449 20 10 CECDLO CCN1CC[N@H+](Cc2c(O)cccc2F)C[C@H]1C ZINC001137841734 815694780 /nfs/dbraw/zinc/69/47/80/815694780.db2.gz SBBJNGXALQVUML-LLVKDONJSA-N 1 2 252.333 2.057 20 10 CECDLO CCN1CC[N@@H+](Cc2c(O)cccc2F)C[C@H]1C ZINC001137841734 815694781 /nfs/dbraw/zinc/69/47/81/815694781.db2.gz SBBJNGXALQVUML-LLVKDONJSA-N 1 2 252.333 2.057 20 10 CECDLO COC[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685649 816082416 /nfs/dbraw/zinc/08/24/16/816082416.db2.gz RLINUBUTTAIFIY-SECBINFHSA-N 1 2 257.280 2.139 20 10 CECDLO COC[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685649 816082422 /nfs/dbraw/zinc/08/24/22/816082422.db2.gz RLINUBUTTAIFIY-SECBINFHSA-N 1 2 257.280 2.139 20 10 CECDLO CC[N@@H+]1CCN(Cc2c(F)ccc(F)c2O)C[C@H]1C ZINC001139689194 816085345 /nfs/dbraw/zinc/08/53/45/816085345.db2.gz FENVDKRVTVLZKR-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO CC[N@H+]1CCN(Cc2c(F)ccc(F)c2O)C[C@H]1C ZINC001139689194 816085350 /nfs/dbraw/zinc/08/53/50/816085350.db2.gz FENVDKRVTVLZKR-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3cccnn3)CC2)c(C)c1 ZINC001139975543 816154109 /nfs/dbraw/zinc/15/41/09/816154109.db2.gz GLDKNKPYQNVHDB-UHFFFAOYSA-N 1 2 298.390 2.116 20 10 CECDLO CN1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3O)C[C@H]21 ZINC001140465555 816260700 /nfs/dbraw/zinc/26/07/00/816260700.db2.gz NOGZBDNKGAWTOU-GXFFZTMASA-N 1 2 266.772 2.182 20 10 CECDLO CN1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@H]21 ZINC001140465555 816260707 /nfs/dbraw/zinc/26/07/07/816260707.db2.gz NOGZBDNKGAWTOU-GXFFZTMASA-N 1 2 266.772 2.182 20 10 CECDLO COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461695 816260844 /nfs/dbraw/zinc/26/08/44/816260844.db2.gz RDSXHKNQHQVBAS-ZDUSSCGKSA-N 1 2 287.718 2.133 20 10 CECDLO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461695 816260851 /nfs/dbraw/zinc/26/08/51/816260851.db2.gz RDSXHKNQHQVBAS-ZDUSSCGKSA-N 1 2 287.718 2.133 20 10 CECDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583512 816293354 /nfs/dbraw/zinc/29/33/54/816293354.db2.gz JGBXMILBFHPZSM-SNVBAGLBSA-N 1 2 299.317 2.446 20 10 CECDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583512 816293357 /nfs/dbraw/zinc/29/33/57/816293357.db2.gz JGBXMILBFHPZSM-SNVBAGLBSA-N 1 2 299.317 2.446 20 10 CECDLO CC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584512 816293615 /nfs/dbraw/zinc/29/36/15/816293615.db2.gz USQZKDTWENNBBQ-VIFPVBQESA-N 1 2 255.264 2.081 20 10 CECDLO CC(=O)[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584512 816293621 /nfs/dbraw/zinc/29/36/21/816293621.db2.gz USQZKDTWENNBBQ-VIFPVBQESA-N 1 2 255.264 2.081 20 10 CECDLO C[N@H+](Cc1nccs1)Cc1cc(O)ccc1O ZINC001141160950 816491866 /nfs/dbraw/zinc/49/18/66/816491866.db2.gz KPXKKYVMKJWSAB-UHFFFAOYSA-N 1 2 250.323 2.186 20 10 CECDLO C[N@@H+](Cc1nccs1)Cc1cc(O)ccc1O ZINC001141160950 816491870 /nfs/dbraw/zinc/49/18/70/816491870.db2.gz KPXKKYVMKJWSAB-UHFFFAOYSA-N 1 2 250.323 2.186 20 10 CECDLO CCOC(=O)C1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142512849 816678865 /nfs/dbraw/zinc/67/88/65/816678865.db2.gz NMGIUQANSQZYMA-UHFFFAOYSA-N 1 2 299.317 2.446 20 10 CECDLO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000180037562 368364702 /nfs/dbraw/zinc/36/47/02/368364702.db2.gz GSBPWYSENOXXGZ-GFCCVEGCSA-N 1 2 282.771 2.064 20 10 CECDLO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000180037562 368364706 /nfs/dbraw/zinc/36/47/06/368364706.db2.gz GSBPWYSENOXXGZ-GFCCVEGCSA-N 1 2 282.771 2.064 20 10 CECDLO CC(C)C(=O)NCC[N@H+](C)Cc1cccc(Cl)c1O ZINC000180797756 368396511 /nfs/dbraw/zinc/39/65/11/368396511.db2.gz WNRPYVKKQHYSST-UHFFFAOYSA-N 1 2 284.787 2.250 20 10 CECDLO CC(C)C(=O)NCC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000180797756 368396516 /nfs/dbraw/zinc/39/65/16/368396516.db2.gz WNRPYVKKQHYSST-UHFFFAOYSA-N 1 2 284.787 2.250 20 10 CECDLO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(F)c(F)c1O ZINC000279124660 296124631 /nfs/dbraw/zinc/12/46/31/296124631.db2.gz QKQHZJWIWWCIBM-DTWKUNHWSA-N 1 2 259.296 2.482 20 10 CECDLO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000224857218 370282636 /nfs/dbraw/zinc/28/26/36/370282636.db2.gz YIZRZCDUJWIREW-KCJUWKMLSA-N 1 2 275.801 2.248 20 10 CECDLO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ncon2)c1O ZINC000362045256 372184031 /nfs/dbraw/zinc/18/40/31/372184031.db2.gz LOUCYLGMSALRCB-GFCCVEGCSA-N 1 2 259.309 2.421 20 10 CECDLO Cc1cccc(C[N@H+]2CCC[C@@H]2c2ncon2)c1O ZINC000362045256 372184035 /nfs/dbraw/zinc/18/40/35/372184035.db2.gz LOUCYLGMSALRCB-GFCCVEGCSA-N 1 2 259.309 2.421 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1cc(F)ccc1O ZINC000275774197 374220829 /nfs/dbraw/zinc/22/08/29/374220829.db2.gz VFFSEGNROMTZHP-BDAKNGLRSA-N 1 2 264.304 2.072 20 10 CECDLO COC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000280840388 375339656 /nfs/dbraw/zinc/33/96/56/375339656.db2.gz AMUACHAAKABINP-HTQZYQBOSA-N 1 2 294.178 2.357 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nncn1C ZINC000293570468 377634491 /nfs/dbraw/zinc/63/44/91/377634491.db2.gz IYQFRNROGRKGDU-SSDOTTSWSA-N 1 2 284.722 2.164 20 10 CECDLO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N(C)C ZINC000293671718 377688777 /nfs/dbraw/zinc/68/87/77/377688777.db2.gz QRDMSWBCMREPLC-QMMMGPOBSA-N 1 2 260.740 2.224 20 10 CECDLO CCNC(=O)[C@@H]([NH2+]Cc1cccc(Cl)c1O)C(C)C ZINC000293680465 377696131 /nfs/dbraw/zinc/69/61/31/377696131.db2.gz PRCUQGNRUFMRPM-LBPRGKRZSA-N 1 2 284.787 2.296 20 10 CECDLO Oc1cccc(Cl)c1C[NH+]1CCN(CC(F)F)CC1 ZINC000120585775 394780525 /nfs/dbraw/zinc/78/05/25/394780525.db2.gz RUGDVXJWQMXWAA-UHFFFAOYSA-N 1 2 290.741 2.428 20 10 CECDLO C[C@H](CC[S@](C)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000164759064 263704115 /nfs/dbraw/zinc/70/41/15/263704115.db2.gz DXRRTDYVHJKGJT-VVVCHXIZSA-N 1 2 275.801 2.292 20 10 CECDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271200520 289031603 /nfs/dbraw/zinc/03/16/03/289031603.db2.gz PSPXTASXTPLJFS-XAAFQQQXSA-N 1 2 298.427 2.233 20 10 CECDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271200520 289031604 /nfs/dbraw/zinc/03/16/04/289031604.db2.gz PSPXTASXTPLJFS-XAAFQQQXSA-N 1 2 298.427 2.233 20 10 CECDLO CN1CCCc2cc(C[NH2+]Cc3ccn[nH]3)ccc21 ZINC000050286807 523863091 /nfs/dbraw/zinc/86/30/91/523863091.db2.gz UIIPBGGXSDYYQF-UHFFFAOYSA-N 1 2 256.353 2.082 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ncnn1C ZINC000276638281 525607672 /nfs/dbraw/zinc/60/76/72/525607672.db2.gz OLDWWKVVJGZBAD-JGVFFNPUSA-N 1 2 282.294 2.211 20 10 CECDLO C[C@@H]([NH2+]CCN1CCCC1)c1cc(F)cc(F)c1O ZINC000756354760 574801931 /nfs/dbraw/zinc/80/19/31/574801931.db2.gz CQWNXVSSVGVAJP-SNVBAGLBSA-N 1 2 270.323 2.417 20 10 CECDLO O=C(Nc1ccc2[nH+]ccn2c1)C1=CC(=O)CS1 ZINC000738540276 574867308 /nfs/dbraw/zinc/86/73/08/574867308.db2.gz HXVPBEYZAOVOGS-UHFFFAOYSA-N 1 2 259.290 2.354 20 10 CECDLO CCOC(=O)C[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000053134658 627330948 /nfs/dbraw/zinc/33/09/48/627330948.db2.gz LBOFWGVVNPPJJR-UHFFFAOYSA-N 1 2 264.369 2.138 20 10 CECDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000053134658 627330952 /nfs/dbraw/zinc/33/09/52/627330952.db2.gz LBOFWGVVNPPJJR-UHFFFAOYSA-N 1 2 264.369 2.138 20 10 CECDLO COc1ccc[nH+]c1NCc1ccc(OC)c(OC)c1O ZINC000893264446 628206568 /nfs/dbraw/zinc/20/65/68/628206568.db2.gz DHVYFXIUFHUBDG-UHFFFAOYSA-N 1 2 290.319 2.425 20 10 CECDLO Cc1cccn2cc(CC(=O)NCc3ccccc3O)[nH+]c12 ZINC000725896046 628245625 /nfs/dbraw/zinc/24/56/25/628245625.db2.gz WBXOVJQGQWLAIM-UHFFFAOYSA-N 1 2 295.342 2.207 20 10 CECDLO CCOC(=O)C[N@H+](CC)Cc1cc(OCC)ccc1O ZINC000092399689 628281819 /nfs/dbraw/zinc/28/18/19/628281819.db2.gz KVBZRHTXICDIRD-UHFFFAOYSA-N 1 2 281.352 2.176 20 10 CECDLO CCOC(=O)C[N@@H+](CC)Cc1cc(OCC)ccc1O ZINC000092399689 628281822 /nfs/dbraw/zinc/28/18/22/628281822.db2.gz KVBZRHTXICDIRD-UHFFFAOYSA-N 1 2 281.352 2.176 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000894737717 629612616 /nfs/dbraw/zinc/61/26/16/629612616.db2.gz FJPAHVCFLVVVPE-HNNXBMFYSA-N 1 2 299.317 2.052 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000894737717 629612619 /nfs/dbraw/zinc/61/26/19/629612619.db2.gz FJPAHVCFLVVVPE-HNNXBMFYSA-N 1 2 299.317 2.052 20 10 CECDLO COc1cc(C)cc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000164502218 629838671 /nfs/dbraw/zinc/83/86/71/629838671.db2.gz ARWRNIPXFJYIDT-GFCCVEGCSA-N 1 2 295.379 2.481 20 10 CECDLO COc1cc(C)cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000164502218 629838676 /nfs/dbraw/zinc/83/86/76/629838676.db2.gz ARWRNIPXFJYIDT-GFCCVEGCSA-N 1 2 295.379 2.481 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCc2ncncc2C1 ZINC000895722363 630315281 /nfs/dbraw/zinc/31/52/81/630315281.db2.gz IBABQGYEQYNWKG-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCc2ncncc2C1 ZINC000895722363 630315283 /nfs/dbraw/zinc/31/52/83/630315283.db2.gz IBABQGYEQYNWKG-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO O=C1CC2(CCC2)[N@H+](Cc2cccc(Cl)c2O)CCN1 ZINC000895927827 630408295 /nfs/dbraw/zinc/40/82/95/630408295.db2.gz YCIDJUQJILDBNO-UHFFFAOYSA-N 1 2 294.782 2.290 20 10 CECDLO O=C1CC2(CCC2)[N@@H+](Cc2cccc(Cl)c2O)CCN1 ZINC000895927827 630408298 /nfs/dbraw/zinc/40/82/98/630408298.db2.gz YCIDJUQJILDBNO-UHFFFAOYSA-N 1 2 294.782 2.290 20 10 CECDLO COCC1C[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000895970423 630423413 /nfs/dbraw/zinc/42/34/13/630423413.db2.gz XPROOKAJFDGUEK-UHFFFAOYSA-N 1 2 259.708 2.263 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCO[C@H]1CCOC1 ZINC000897200705 630985863 /nfs/dbraw/zinc/98/58/63/630985863.db2.gz AKJKOWMFSSUGSY-NSHDSACASA-N 1 2 289.734 2.080 20 10 CECDLO OC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000897358195 631183515 /nfs/dbraw/zinc/18/35/15/631183515.db2.gz UMHCGYAAFUMTFT-XWEPSHTISA-N 1 2 259.708 2.045 20 10 CECDLO CC[C@H]([NH2+]Cc1cn(C)nn1)c1cccc(Cl)c1O ZINC000806158761 631721767 /nfs/dbraw/zinc/72/17/67/631721767.db2.gz QTYXVUKWBOSKDP-LBPRGKRZSA-N 1 2 280.759 2.415 20 10 CECDLO O=C(NCc1ccccc1O)Nc1ccn2cc[nH+]c2c1 ZINC000810229687 632196719 /nfs/dbraw/zinc/19/67/19/632196719.db2.gz HPIQNIIUUKNGII-UHFFFAOYSA-N 1 2 282.303 2.362 20 10 CECDLO COC[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000816636822 633454292 /nfs/dbraw/zinc/45/42/92/633454292.db2.gz IXPCYKMJZKOBKB-JTQLQIEISA-N 1 2 259.708 2.405 20 10 CECDLO COC[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000816636822 633454294 /nfs/dbraw/zinc/45/42/94/633454294.db2.gz IXPCYKMJZKOBKB-JTQLQIEISA-N 1 2 259.708 2.405 20 10 CECDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]21 ZINC000816616670 633451070 /nfs/dbraw/zinc/45/10/70/633451070.db2.gz CESMVWIWYVBBFM-WOFXILAISA-N 1 2 299.729 2.036 20 10 CECDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]21 ZINC000816616670 633451073 /nfs/dbraw/zinc/45/10/73/633451073.db2.gz CESMVWIWYVBBFM-WOFXILAISA-N 1 2 299.729 2.036 20 10 CECDLO C[C@H](NC1C[NH2+]C1)c1ccc(Cl)c(Cl)c1O ZINC000817956308 633799662 /nfs/dbraw/zinc/79/96/62/633799662.db2.gz WGJAWZSBMQYLBH-LURJTMIESA-N 1 2 261.152 2.321 20 10 CECDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCOC1 ZINC000042412419 633970883 /nfs/dbraw/zinc/97/08/83/633970883.db2.gz ZOHSACVNJGHFQG-SECBINFHSA-N 1 2 286.169 2.281 20 10 CECDLO C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1O ZINC000827964598 636473365 /nfs/dbraw/zinc/47/33/65/636473365.db2.gz ROAWMATUVGUJDC-RYUDHWBXSA-N 1 2 285.347 2.029 20 10 CECDLO COC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876529729 650306284 /nfs/dbraw/zinc/30/62/84/650306284.db2.gz GDOVKFKRMFRPQY-UHFFFAOYSA-N 1 2 285.290 2.055 20 10 CECDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(F)c(F)c1O ZINC000876742635 650416289 /nfs/dbraw/zinc/41/62/89/650416289.db2.gz VHFVSXLNUHVPNS-UHFFFAOYSA-N 1 2 253.252 2.026 20 10 CECDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(F)c(F)c1O ZINC000876742635 650416291 /nfs/dbraw/zinc/41/62/91/650416291.db2.gz VHFVSXLNUHVPNS-UHFFFAOYSA-N 1 2 253.252 2.026 20 10 CECDLO COC(=O)C[N@H+](Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840920132 639586909 /nfs/dbraw/zinc/58/69/09/639586909.db2.gz CHLWSIVWYZWOJW-UHFFFAOYSA-N 1 2 276.380 2.198 20 10 CECDLO COC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840920132 639586912 /nfs/dbraw/zinc/58/69/12/639586912.db2.gz CHLWSIVWYZWOJW-UHFFFAOYSA-N 1 2 276.380 2.198 20 10 CECDLO C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841064480 639639647 /nfs/dbraw/zinc/63/96/47/639639647.db2.gz GSPYMFBOLFJUEW-CABZTGNLSA-N 1 2 254.761 2.276 20 10 CECDLO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cc(F)cc(F)c1O ZINC000842901735 640216918 /nfs/dbraw/zinc/21/69/18/640216918.db2.gz KKLYCFXDELBPGK-SECBINFHSA-N 1 2 296.321 2.082 20 10 CECDLO [O-]c1c(Cl)cccc1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055050 640257724 /nfs/dbraw/zinc/25/77/24/640257724.db2.gz DYOOEIIGPSNHCH-LBPRGKRZSA-N 1 2 266.772 2.372 20 10 CECDLO [O-]c1c(Cl)cccc1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055050 640257725 /nfs/dbraw/zinc/25/77/25/640257725.db2.gz DYOOEIIGPSNHCH-LBPRGKRZSA-N 1 2 266.772 2.372 20 10 CECDLO C[C@@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccccc1O ZINC000848557411 642051856 /nfs/dbraw/zinc/05/18/56/642051856.db2.gz JSOCVNZBEIDQRM-ZWNOBZJWSA-N 1 2 288.351 2.213 20 10 CECDLO Cc1noc([C@H](C)[N@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000848925480 642196587 /nfs/dbraw/zinc/19/65/87/642196587.db2.gz DXQKZFWMVFEMDR-QMMMGPOBSA-N 1 2 291.307 2.005 20 10 CECDLO Cc1noc([C@H](C)[N@@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000848925480 642196589 /nfs/dbraw/zinc/19/65/89/642196589.db2.gz DXQKZFWMVFEMDR-QMMMGPOBSA-N 1 2 291.307 2.005 20 10 CECDLO Cc1cccc(O)c1C[N@H+](C)Cc1ncnn1CC(F)F ZINC000877482007 650742638 /nfs/dbraw/zinc/74/26/38/650742638.db2.gz AJKVJEMCPNKNRW-UHFFFAOYSA-N 1 2 296.321 2.189 20 10 CECDLO Cc1cccc(O)c1C[N@@H+](C)Cc1ncnn1CC(F)F ZINC000877482007 650742639 /nfs/dbraw/zinc/74/26/39/650742639.db2.gz AJKVJEMCPNKNRW-UHFFFAOYSA-N 1 2 296.321 2.189 20 10 CECDLO COC(=O)[C@H](CC1CC1)[NH2+]Cc1ccc(C)cc1O ZINC000877588093 650802507 /nfs/dbraw/zinc/80/25/07/650802507.db2.gz VTTCCQRRCQGJGD-ZDUSSCGKSA-N 1 2 263.337 2.132 20 10 CECDLO COCCCOC1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000839133248 644169729 /nfs/dbraw/zinc/16/97/29/644169729.db2.gz NDLDJTFKAIPBPE-UHFFFAOYSA-N 1 2 285.771 2.283 20 10 CECDLO C[C@H](CCO)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756617650 644674709 /nfs/dbraw/zinc/67/47/09/644674709.db2.gz JRUHXBIIIRDWKG-RKDXNWHRSA-N 1 2 259.296 2.340 20 10 CECDLO CCc1nncn1CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756618443 644674950 /nfs/dbraw/zinc/67/49/50/644674950.db2.gz BPPVSSRPRSKZBG-VIFPVBQESA-N 1 2 296.321 2.175 20 10 CECDLO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(F)cc(F)c1O ZINC000756768351 644690174 /nfs/dbraw/zinc/69/01/74/644690174.db2.gz CZSJFVBBQRGMGH-LDYMZIIASA-N 1 2 271.307 2.482 20 10 CECDLO O=C(CCc1[nH]cc[nH+]1)NCc1cc(Cl)ccc1O ZINC000857548765 644919545 /nfs/dbraw/zinc/91/95/45/644919545.db2.gz VCEUXWZIFHQTGB-UHFFFAOYSA-N 1 2 279.727 2.018 20 10 CECDLO CCN(CC)c1ccc(C[NH2+]Cc2cnn[nH]2)cc1F ZINC000858198433 645085700 /nfs/dbraw/zinc/08/57/00/645085700.db2.gz OAMIATIXANCLMW-UHFFFAOYSA-N 1 2 277.347 2.080 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)C1CC1 ZINC000809753050 645218967 /nfs/dbraw/zinc/21/89/67/645218967.db2.gz ZIVXOQCRFSWNEA-GFCCVEGCSA-N 1 2 255.745 2.248 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)C1CC1 ZINC000809753050 645218969 /nfs/dbraw/zinc/21/89/69/645218969.db2.gz ZIVXOQCRFSWNEA-GFCCVEGCSA-N 1 2 255.745 2.248 20 10 CECDLO CC[N@@H+]1C[C@@H](C)N(C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000766251672 645864290 /nfs/dbraw/zinc/86/42/90/645864290.db2.gz XHBONJZCOXNXCB-VHSXEESVSA-N 1 2 268.382 2.008 20 10 CECDLO CC[N@H+]1C[C@@H](C)N(C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000766251672 645864294 /nfs/dbraw/zinc/86/42/94/645864294.db2.gz XHBONJZCOXNXCB-VHSXEESVSA-N 1 2 268.382 2.008 20 10 CECDLO CCOc1ccc(C[NH2+][C@H](C(=O)OC)C(C)(C)C)c(O)c1 ZINC000768518787 646135024 /nfs/dbraw/zinc/13/50/24/646135024.db2.gz IJIXNMPNPCJARB-CQSZACIVSA-N 1 2 295.379 2.468 20 10 CECDLO CCOc1ccc(C[N@@H+]2CCc3c[nH]nc3C2)c(O)c1 ZINC000769468148 646273416 /nfs/dbraw/zinc/27/34/16/646273416.db2.gz AWJGKXZDUVOXIY-UHFFFAOYSA-N 1 2 273.336 2.072 20 10 CECDLO CCOc1ccc(C[N@H+]2CCc3c[nH]nc3C2)c(O)c1 ZINC000769468148 646273421 /nfs/dbraw/zinc/27/34/21/646273421.db2.gz AWJGKXZDUVOXIY-UHFFFAOYSA-N 1 2 273.336 2.072 20 10 CECDLO COC(=O)C1=CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000862466110 646470355 /nfs/dbraw/zinc/47/03/55/646470355.db2.gz MURAVJFGZPYKDF-LLVKDONJSA-N 1 2 281.739 2.397 20 10 CECDLO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C[NH2+]1 ZINC000863483988 646740510 /nfs/dbraw/zinc/74/05/10/646740510.db2.gz GECSVRRHAJEBPY-GXSJLCMTSA-N 1 2 254.761 2.276 20 10 CECDLO COCc1noc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775833923 646997836 /nfs/dbraw/zinc/99/78/36/646997836.db2.gz HRYVMZZRDHELRF-LLVKDONJSA-N 1 2 290.367 2.133 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000777219153 647121529 /nfs/dbraw/zinc/12/15/29/647121529.db2.gz CXHUEAZMHUOKTD-LLVKDONJSA-N 1 2 296.733 2.223 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000777219153 647121532 /nfs/dbraw/zinc/12/15/32/647121532.db2.gz CXHUEAZMHUOKTD-LLVKDONJSA-N 1 2 296.733 2.223 20 10 CECDLO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cc(F)cc(F)c1O ZINC000779065407 647284910 /nfs/dbraw/zinc/28/49/10/647284910.db2.gz POLWUHLWFTZKHE-QILRFPOHSA-N 1 2 271.307 2.480 20 10 CECDLO Cc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)c(O)c1O ZINC000780938691 647482781 /nfs/dbraw/zinc/48/27/81/647482781.db2.gz IXOFTYZJYBTVHR-UHFFFAOYSA-N 1 2 283.287 2.306 20 10 CECDLO Oc1cccc2c1CN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000866116893 647616847 /nfs/dbraw/zinc/61/68/47/647616847.db2.gz DLVKXQSHSHFDJA-UHFFFAOYSA-N 1 2 268.320 2.277 20 10 CECDLO Oc1cccc2c1CN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000866116893 647616850 /nfs/dbraw/zinc/61/68/50/647616850.db2.gz DLVKXQSHSHFDJA-UHFFFAOYSA-N 1 2 268.320 2.277 20 10 CECDLO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(F)cc(F)c1O ZINC000866441949 647787935 /nfs/dbraw/zinc/78/79/35/647787935.db2.gz ARJZFJHCPDOSMV-LDWIPMOCSA-N 1 2 281.249 2.337 20 10 CECDLO OCCCCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000790931498 648461806 /nfs/dbraw/zinc/46/18/06/648461806.db2.gz ZHQXTHSOFWQICF-UHFFFAOYSA-N 1 2 261.724 2.437 20 10 CECDLO CCOc1cccc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1O ZINC000792191864 648622351 /nfs/dbraw/zinc/62/23/51/648622351.db2.gz CZDIVCHJFPWOAH-HRBWSGTNSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1cccc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1O ZINC000792191864 648622353 /nfs/dbraw/zinc/62/23/53/648622353.db2.gz CZDIVCHJFPWOAH-HRBWSGTNSA-N 1 2 297.420 2.132 20 10 CECDLO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(F)cc(F)c1O ZINC000872126696 649285502 /nfs/dbraw/zinc/28/55/02/649285502.db2.gz OUTWVBPHLORUOG-NRPADANISA-N 1 2 257.280 2.092 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000882989679 652309532 /nfs/dbraw/zinc/30/95/32/652309532.db2.gz CSJXZZNCQZYBCD-CYBMUJFWSA-N 1 2 282.334 2.244 20 10 CECDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)CN1C1CC1 ZINC000883034211 652336959 /nfs/dbraw/zinc/33/69/59/652336959.db2.gz ODQGWYBMIXXTFQ-BXKDBHETSA-N 1 2 282.334 2.385 20 10 CECDLO CCOC(=O)[C@@H]([NH2+]Cc1ccc(C)cc1O)C1CC1 ZINC001119245776 815078377 /nfs/dbraw/zinc/07/83/77/815078377.db2.gz UBHRXVAYGCUTGJ-AWEZNQCLSA-N 1 2 263.337 2.132 20 10 CECDLO Cc1cccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c1O ZINC000705019628 809765748 /nfs/dbraw/zinc/76/57/48/809765748.db2.gz ODABOJQOARSKCT-LLVKDONJSA-N 1 2 275.270 2.464 20 10 CECDLO Cc1cccc(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c1O ZINC000705019628 809765751 /nfs/dbraw/zinc/76/57/51/809765751.db2.gz ODABOJQOARSKCT-LLVKDONJSA-N 1 2 275.270 2.464 20 10 CECDLO C[N@@H+]1CC[C@]2(CCN(Cc3cc(F)cc(F)c3O)C2)C1 ZINC000708424625 809929762 /nfs/dbraw/zinc/92/97/62/809929762.db2.gz YYEZGNPIRVJNRS-HNNXBMFYSA-N 1 2 282.334 2.198 20 10 CECDLO C[N@H+]1CC[C@]2(CCN(Cc3cc(F)cc(F)c3O)C2)C1 ZINC000708424625 809929764 /nfs/dbraw/zinc/92/97/64/809929764.db2.gz YYEZGNPIRVJNRS-HNNXBMFYSA-N 1 2 282.334 2.198 20 10 CECDLO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708438236 809931168 /nfs/dbraw/zinc/93/11/68/809931168.db2.gz WITQWWDZZMHQGV-ISVAXAHUSA-N 1 2 257.280 2.328 20 10 CECDLO Oc1cc(O)c(C[N@@H+]2CCCC(F)(F)C2)c(O)c1 ZINC001144499477 814089097 /nfs/dbraw/zinc/08/90/97/814089097.db2.gz GUWIMCODKVTNGO-UHFFFAOYSA-N 1 2 259.252 2.035 20 10 CECDLO Oc1cc(O)c(C[N@H+]2CCCC(F)(F)C2)c(O)c1 ZINC001144499477 814089104 /nfs/dbraw/zinc/08/91/04/814089104.db2.gz GUWIMCODKVTNGO-UHFFFAOYSA-N 1 2 259.252 2.035 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001137832671 815690959 /nfs/dbraw/zinc/69/09/59/815690959.db2.gz DAFGVVOHWMVTNQ-LLVKDONJSA-N 1 2 279.233 2.030 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001137832671 815690966 /nfs/dbraw/zinc/69/09/66/815690966.db2.gz DAFGVVOHWMVTNQ-LLVKDONJSA-N 1 2 279.233 2.030 20 10 CECDLO CN1C[C@H]2CCC[N@@H+](Cc3c(O)cccc3F)[C@H]2C1 ZINC001137838899 815695447 /nfs/dbraw/zinc/69/54/47/815695447.db2.gz MEERLONKGVDFAF-RISCZKNCSA-N 1 2 264.344 2.057 20 10 CECDLO Oc1c(F)cccc1C[NH+]1CC2(C1)CCCCO2 ZINC001138123892 815731194 /nfs/dbraw/zinc/73/11/94/815731194.db2.gz QCWRPGSPVNOAOR-UHFFFAOYSA-N 1 2 251.301 2.286 20 10 CECDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cccc(F)c1O ZINC001138129464 815734745 /nfs/dbraw/zinc/73/47/45/815734745.db2.gz DXMMPMXNHCVICS-LBPRGKRZSA-N 1 2 269.316 2.161 20 10 CECDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cccc(F)c1O ZINC001138129464 815734753 /nfs/dbraw/zinc/73/47/53/815734753.db2.gz DXMMPMXNHCVICS-LBPRGKRZSA-N 1 2 269.316 2.161 20 10 CECDLO OC[C@@H]1C[C@@H]2OCC[N@H+](Cc3c(O)cccc3Cl)[C@H]2C1 ZINC001140339794 816238891 /nfs/dbraw/zinc/23/88/91/816238891.db2.gz YKDYHIUEJJVANL-XEGUGMAKSA-N 1 2 297.782 2.017 20 10 CECDLO OC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3c(O)cccc3Cl)[C@H]2C1 ZINC001140339794 816238898 /nfs/dbraw/zinc/23/88/98/816238898.db2.gz YKDYHIUEJJVANL-XEGUGMAKSA-N 1 2 297.782 2.017 20 10 CECDLO COC1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140580010 816288794 /nfs/dbraw/zinc/28/87/94/816288794.db2.gz OFOWEIVWUZHQFX-UHFFFAOYSA-N 1 2 257.280 2.281 20 10 CECDLO CCOC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583928 816292458 /nfs/dbraw/zinc/29/24/58/816292458.db2.gz ZAMWLXUTDLZRKS-VIFPVBQESA-N 1 2 285.290 2.055 20 10 CECDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583928 816292462 /nfs/dbraw/zinc/29/24/62/816292462.db2.gz ZAMWLXUTDLZRKS-VIFPVBQESA-N 1 2 285.290 2.055 20 10 CECDLO CC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583461 816293007 /nfs/dbraw/zinc/29/30/07/816293007.db2.gz HRTCQKQJJWNTAP-SNVBAGLBSA-N 1 2 269.291 2.471 20 10 CECDLO CC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583461 816293015 /nfs/dbraw/zinc/29/30/15/816293015.db2.gz HRTCQKQJJWNTAP-SNVBAGLBSA-N 1 2 269.291 2.471 20 10 CECDLO O=C1CCC[C@@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@H]12 ZINC001140584862 816295184 /nfs/dbraw/zinc/29/51/84/816295184.db2.gz HRLDVVDQBMDTME-KOLCDFICSA-N 1 2 281.302 2.471 20 10 CECDLO O=C1CCC[C@@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@H]12 ZINC001140584862 816295188 /nfs/dbraw/zinc/29/51/88/816295188.db2.gz HRLDVVDQBMDTME-KOLCDFICSA-N 1 2 281.302 2.471 20 10 CECDLO CCOc1ccc(N2CC[NH+](Cc3cnco3)CC2)cc1 ZINC001140933112 816415475 /nfs/dbraw/zinc/41/54/75/816415475.db2.gz LKTHCHSTSLYSPS-UHFFFAOYSA-N 1 2 287.363 2.396 20 10 CECDLO CCOC(=O)C[N@H+](Cc1cc(OCC)ccc1O)C1CC1 ZINC000091773159 364073745 /nfs/dbraw/zinc/07/37/45/364073745.db2.gz ITPVAIZJIMUDTE-UHFFFAOYSA-N 1 2 293.363 2.318 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1cc(OCC)ccc1O)C1CC1 ZINC000091773159 364073748 /nfs/dbraw/zinc/07/37/48/364073748.db2.gz ITPVAIZJIMUDTE-UHFFFAOYSA-N 1 2 293.363 2.318 20 10 CECDLO COCCN1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179641644 368347561 /nfs/dbraw/zinc/34/75/61/368347561.db2.gz UQTWXSTUSHQQBF-UHFFFAOYSA-N 1 2 298.814 2.118 20 10 CECDLO CC[N@H+](CCC(=O)OC)Cc1cccc(Cl)c1O ZINC000179825860 368353838 /nfs/dbraw/zinc/35/38/38/368353838.db2.gz NFOMBJQDJXOVLE-UHFFFAOYSA-N 1 2 271.744 2.431 20 10 CECDLO CC[N@@H+](CCC(=O)OC)Cc1cccc(Cl)c1O ZINC000179825860 368353841 /nfs/dbraw/zinc/35/38/41/368353841.db2.gz NFOMBJQDJXOVLE-UHFFFAOYSA-N 1 2 271.744 2.431 20 10 CECDLO O=C1OCC[C@@]12CCC[N@H+]2Cc1cccc(Cl)c1O ZINC000190039593 369591629 /nfs/dbraw/zinc/59/16/29/369591629.db2.gz DTAKSZSLEMWLJK-AWEZNQCLSA-N 1 2 281.739 2.327 20 10 CECDLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cccc(Cl)c1O ZINC000190039593 369591630 /nfs/dbraw/zinc/59/16/30/369591630.db2.gz DTAKSZSLEMWLJK-AWEZNQCLSA-N 1 2 281.739 2.327 20 10 CECDLO Cc1nnc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2O)[nH]1 ZINC000273499059 373760268 /nfs/dbraw/zinc/76/02/68/373760268.db2.gz YKGORZBAHYYAPQ-QMMMGPOBSA-N 1 2 280.759 2.365 20 10 CECDLO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000374546553 374596073 /nfs/dbraw/zinc/59/60/73/374596073.db2.gz VTJLFMSFOXDZCQ-LBPRGKRZSA-N 1 2 277.755 2.416 20 10 CECDLO Cc1noc(C(C)(C)[NH2+]Cc2cc(F)ccc2O)n1 ZINC000284986313 375832641 /nfs/dbraw/zinc/83/26/41/375832641.db2.gz IUQQXOMATXRMBJ-UHFFFAOYSA-N 1 2 265.288 2.248 20 10 CECDLO CN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294439913 377987768 /nfs/dbraw/zinc/98/77/68/377987768.db2.gz XSMSVYWTMNHSII-SNVBAGLBSA-N 1 2 272.751 2.369 20 10 CECDLO CC(=O)NCC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000224467583 394466063 /nfs/dbraw/zinc/46/60/63/394466063.db2.gz CHWJMGPAWWIOAW-UHFFFAOYSA-N 1 2 296.798 2.394 20 10 CECDLO CCC[N@H+](CC(=O)N(C)C)Cc1cccc(Cl)c1O ZINC000124564616 394838641 /nfs/dbraw/zinc/83/86/41/394838641.db2.gz GTHKUGKQYDTCCI-UHFFFAOYSA-N 1 2 284.787 2.346 20 10 CECDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cccc(Cl)c1O ZINC000124564616 394838642 /nfs/dbraw/zinc/83/86/42/394838642.db2.gz GTHKUGKQYDTCCI-UHFFFAOYSA-N 1 2 284.787 2.346 20 10 CECDLO CSC[C@@](C)(O)C[NH2+]Cc1cccc(Cl)c1O ZINC000182430958 395241917 /nfs/dbraw/zinc/24/19/17/395241917.db2.gz ZIGNBQKRYJNYIT-LBPRGKRZSA-N 1 2 275.801 2.249 20 10 CECDLO C[C@H](CCO)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293717686 395249661 /nfs/dbraw/zinc/24/96/61/395249661.db2.gz VGRHAELFGURBFX-MRVPVSSYSA-N 1 2 261.724 2.293 20 10 CECDLO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000186475353 262094571 /nfs/dbraw/zinc/09/45/71/262094571.db2.gz MQOHVUNJTIBPKT-LLVKDONJSA-N 1 2 298.770 2.366 20 10 CECDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000368461529 267175644 /nfs/dbraw/zinc/17/56/44/267175644.db2.gz JEJWTSKKHFZQOF-CQSZACIVSA-N 1 2 287.363 2.306 20 10 CECDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccccc1O ZINC000368461529 267175650 /nfs/dbraw/zinc/17/56/50/267175650.db2.gz JEJWTSKKHFZQOF-CQSZACIVSA-N 1 2 287.363 2.306 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000376856312 268024341 /nfs/dbraw/zinc/02/43/41/268024341.db2.gz NWAYWALZNCRGGT-NSHDSACASA-N 1 2 277.755 2.416 20 10 CECDLO Cc1nc(C(C)(C)[NH2+]Cc2cccc(C)c2O)no1 ZINC000271842576 328198091 /nfs/dbraw/zinc/19/80/91/328198091.db2.gz HEJCKQKCVIHBFO-UHFFFAOYSA-N 1 2 261.325 2.417 20 10 CECDLO CCOCc1nc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)no1 ZINC000290966844 520216106 /nfs/dbraw/zinc/21/61/06/520216106.db2.gz RZSYVXCIMVNVGN-SECBINFHSA-N 1 2 295.314 2.302 20 10 CECDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000274895472 523761882 /nfs/dbraw/zinc/76/18/82/523761882.db2.gz FSDKHJHPBZQUHO-GWCFXTLKSA-N 1 2 281.327 2.305 20 10 CECDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(F)ccc1O ZINC000274895472 523761886 /nfs/dbraw/zinc/76/18/86/523761886.db2.gz FSDKHJHPBZQUHO-GWCFXTLKSA-N 1 2 281.327 2.305 20 10 CECDLO Cc1ccc([C@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)o1 ZINC000265934481 525976766 /nfs/dbraw/zinc/97/67/66/525976766.db2.gz DVAINQAGOVSLER-CYBMUJFWSA-N 1 2 292.291 2.025 20 10 CECDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc3c(c2)CCO3)no1 ZINC000729854983 574493888 /nfs/dbraw/zinc/49/38/88/574493888.db2.gz NTOWQIYOYBPEAX-UHFFFAOYSA-N 1 2 273.336 2.338 20 10 CECDLO O=C(NCCc1cn2ccccc2[nH+]1)C1=CC(=O)CS1 ZINC000731867250 574604883 /nfs/dbraw/zinc/60/48/83/574604883.db2.gz PETCFTKDDUZMBM-UHFFFAOYSA-N 1 2 287.344 2.074 20 10 CECDLO CC(C)[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756586859 574822165 /nfs/dbraw/zinc/82/21/65/574822165.db2.gz VPHHSCAFYPDUOQ-PRHODGIISA-N 1 2 259.296 2.338 20 10 CECDLO O=C(NCc1cn2ccccc2[nH+]1)NCc1ccccc1O ZINC000748462704 575187336 /nfs/dbraw/zinc/18/73/36/575187336.db2.gz HEJYCABTILHITH-UHFFFAOYSA-N 1 2 296.330 2.039 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@@H]2CCCN2C)c1O ZINC000092632640 623578363 /nfs/dbraw/zinc/57/83/63/623578363.db2.gz AVRLDMFSCDNYNR-AWEZNQCLSA-N 1 2 294.370 2.260 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@@H]2CCCN2C)c1O ZINC000092632640 623578371 /nfs/dbraw/zinc/57/83/71/623578371.db2.gz AVRLDMFSCDNYNR-AWEZNQCLSA-N 1 2 294.370 2.260 20 10 CECDLO CCOc1cccc(CNCC[N@H+](C)C(C)C)c1O ZINC000054110886 628880330 /nfs/dbraw/zinc/88/03/30/628880330.db2.gz HDKRUOAEEZDQNM-UHFFFAOYSA-N 1 2 266.385 2.221 20 10 CECDLO CCOc1cccc(CNCC[N@@H+](C)C(C)C)c1O ZINC000054110886 628880333 /nfs/dbraw/zinc/88/03/33/628880333.db2.gz HDKRUOAEEZDQNM-UHFFFAOYSA-N 1 2 266.385 2.221 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781357 630349354 /nfs/dbraw/zinc/34/93/54/630349354.db2.gz PYUCWXLAKFALDP-YDEJPDAXSA-N 1 2 285.746 2.387 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781357 630349358 /nfs/dbraw/zinc/34/93/58/630349358.db2.gz PYUCWXLAKFALDP-YDEJPDAXSA-N 1 2 285.746 2.387 20 10 CECDLO Oc1cccc(F)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000896636489 630620354 /nfs/dbraw/zinc/62/03/54/630620354.db2.gz DIWKUYKHRASDIA-NWDGAFQWSA-N 1 2 264.344 2.248 20 10 CECDLO Oc1cccc(F)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000896636489 630620356 /nfs/dbraw/zinc/62/03/56/630620356.db2.gz DIWKUYKHRASDIA-NWDGAFQWSA-N 1 2 264.344 2.248 20 10 CECDLO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000896735040 630652447 /nfs/dbraw/zinc/65/24/47/630652447.db2.gz AOVMWJGDFCHQFL-CPCISQLKSA-N 1 2 259.708 2.309 20 10 CECDLO C[C@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000896735046 630652313 /nfs/dbraw/zinc/65/23/13/630652313.db2.gz AOVMWJGDFCHQFL-WRWORJQWSA-N 1 2 259.708 2.309 20 10 CECDLO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccc(F)c(F)c1O ZINC000897342185 631146133 /nfs/dbraw/zinc/14/61/33/631146133.db2.gz VCQNEZIHQRGURV-CYBMUJFWSA-N 1 2 298.333 2.065 20 10 CECDLO CCOc1cccc(C[N@@H+]2CCO[C@H](C(F)F)C2)c1O ZINC000802653658 631441428 /nfs/dbraw/zinc/44/14/28/631441428.db2.gz PRBPYMLIGLBQMD-LBPRGKRZSA-N 1 2 287.306 2.257 20 10 CECDLO CCOc1cccc(C[N@H+]2CCO[C@H](C(F)F)C2)c1O ZINC000802653658 631441431 /nfs/dbraw/zinc/44/14/31/631441431.db2.gz PRBPYMLIGLBQMD-LBPRGKRZSA-N 1 2 287.306 2.257 20 10 CECDLO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000898189425 632103811 /nfs/dbraw/zinc/10/38/11/632103811.db2.gz SNXUIFGOVVDZTB-WNEUIUNWSA-N 1 2 278.371 2.171 20 10 CECDLO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000898189425 632103815 /nfs/dbraw/zinc/10/38/15/632103815.db2.gz SNXUIFGOVVDZTB-WNEUIUNWSA-N 1 2 278.371 2.171 20 10 CECDLO CC1(C)C[N@H+](Cc2cccc(Cl)c2O)C[C@H](CO)O1 ZINC000817413587 633652019 /nfs/dbraw/zinc/65/20/19/633652019.db2.gz ZVDXPDBQEDVMSM-LLVKDONJSA-N 1 2 285.771 2.017 20 10 CECDLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2O)C[C@H](CO)O1 ZINC000817413587 633652024 /nfs/dbraw/zinc/65/20/24/633652024.db2.gz ZVDXPDBQEDVMSM-LLVKDONJSA-N 1 2 285.771 2.017 20 10 CECDLO Cc1cc(O)c(C[NH2+]CC(F)(F)CO)cc1Cl ZINC000825529831 635654132 /nfs/dbraw/zinc/65/41/32/635654132.db2.gz HLCDLCOMVSABTL-UHFFFAOYSA-N 1 2 265.687 2.071 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826845314 635859619 /nfs/dbraw/zinc/85/96/19/635859619.db2.gz ITFALIQXEGEFTJ-LLVKDONJSA-N 1 2 292.770 2.159 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826845314 635859625 /nfs/dbraw/zinc/85/96/25/635859625.db2.gz ITFALIQXEGEFTJ-LLVKDONJSA-N 1 2 292.770 2.159 20 10 CECDLO CN(Cc1c(O)cccc1Cl)CC1C[NH+](C)C1 ZINC000827125436 636225296 /nfs/dbraw/zinc/22/52/96/636225296.db2.gz KPWNYGRRLRAPTB-UHFFFAOYSA-N 1 2 254.761 2.039 20 10 CECDLO C[C@@H]1C[NH+](Cc2cccc(Cl)c2O)C[C@@H](C)C1O ZINC000827152313 636239246 /nfs/dbraw/zinc/23/92/46/636239246.db2.gz RILLRJDKYKSACO-NXEZZACHSA-N 1 2 269.772 2.494 20 10 CECDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1O ZINC000827952617 636469267 /nfs/dbraw/zinc/46/92/67/636469267.db2.gz YQDZUWMQQVCRIO-RAIGVLPGSA-N 1 2 285.347 2.107 20 10 CECDLO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC ZINC000835024883 638029004 /nfs/dbraw/zinc/02/90/04/638029004.db2.gz AKMCOABEFYVPTB-SREVYHEPSA-N 1 2 276.380 2.261 20 10 CECDLO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC ZINC000835024883 638029013 /nfs/dbraw/zinc/02/90/13/638029013.db2.gz AKMCOABEFYVPTB-SREVYHEPSA-N 1 2 276.380 2.261 20 10 CECDLO C[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)C(C)(C)C1 ZINC000876747237 650417058 /nfs/dbraw/zinc/41/70/58/650417058.db2.gz YSHCXQFAKUXSMW-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000876765207 650424828 /nfs/dbraw/zinc/42/48/28/650424828.db2.gz VRTRKQNODMHPAC-SNVBAGLBSA-N 1 2 285.290 2.198 20 10 CECDLO COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000876765207 650424830 /nfs/dbraw/zinc/42/48/30/650424830.db2.gz VRTRKQNODMHPAC-SNVBAGLBSA-N 1 2 285.290 2.198 20 10 CECDLO CN(C)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000841889530 639900139 /nfs/dbraw/zinc/90/01/39/639900139.db2.gz BZFNORNUBRUSHZ-UHFFFAOYSA-N 1 2 272.751 2.369 20 10 CECDLO C[C@H]([NH2+]CCCc1ncn(C)n1)c1cc(F)cc(F)c1O ZINC000842901737 640217198 /nfs/dbraw/zinc/21/71/98/640217198.db2.gz KKLYCFXDELBPGK-VIFPVBQESA-N 1 2 296.321 2.082 20 10 CECDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CO1 ZINC000843432996 640429355 /nfs/dbraw/zinc/42/93/55/640429355.db2.gz TUZPDRZHDCLMPA-GMSGAONNSA-N 1 2 259.708 2.452 20 10 CECDLO COc1ccc([N@H+](C)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000844354652 640689642 /nfs/dbraw/zinc/68/96/42/640689642.db2.gz FNVXKGCXNUQDAA-LBPRGKRZSA-N 1 2 262.353 2.048 20 10 CECDLO COc1ccc([N@@H+](C)C[C@@H]2CCNC(=O)CC2)cc1 ZINC000844354652 640689646 /nfs/dbraw/zinc/68/96/46/640689646.db2.gz FNVXKGCXNUQDAA-LBPRGKRZSA-N 1 2 262.353 2.048 20 10 CECDLO CCC[C@@H]([NH2+]Cc1ccc(C)cc1O)C(=O)OC ZINC000083385018 642064822 /nfs/dbraw/zinc/06/48/22/642064822.db2.gz UTPWDNRJXGHLNF-GFCCVEGCSA-N 1 2 251.326 2.132 20 10 CECDLO C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816566942 642159624 /nfs/dbraw/zinc/15/96/24/642159624.db2.gz LYHINPJQSBQVSD-YUMQZZPRSA-N 1 2 261.724 2.434 20 10 CECDLO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877464915 650731743 /nfs/dbraw/zinc/73/17/43/650731743.db2.gz OVNZDJOPHVVIBJ-AWEZNQCLSA-N 1 2 271.307 2.407 20 10 CECDLO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877464915 650731744 /nfs/dbraw/zinc/73/17/44/650731744.db2.gz OVNZDJOPHVVIBJ-AWEZNQCLSA-N 1 2 271.307 2.407 20 10 CECDLO COC(=O)c1ccc(C[N@@H+]2Cc3cccc(O)c3C2)o1 ZINC000877702569 650859464 /nfs/dbraw/zinc/85/94/64/650859464.db2.gz BWCNVTOOBBVZJA-UHFFFAOYSA-N 1 2 273.288 2.288 20 10 CECDLO COC(=O)c1ccc(C[N@H+]2Cc3cccc(O)c3C2)o1 ZINC000877702569 650859466 /nfs/dbraw/zinc/85/94/66/650859466.db2.gz BWCNVTOOBBVZJA-UHFFFAOYSA-N 1 2 273.288 2.288 20 10 CECDLO CC[C@@H](NCC12CC(C1)C[NH2+]2)c1ccc(F)cc1O ZINC000854227853 644017457 /nfs/dbraw/zinc/01/74/57/644017457.db2.gz RRVZFSNBLICUME-VROQLPPWSA-N 1 2 264.344 2.324 20 10 CECDLO COc1cc(C)cc(C[N@H+](C)Cc2ccon2)c1O ZINC000754739803 644423556 /nfs/dbraw/zinc/42/35/56/644423556.db2.gz BNYHVEMTKKTNEX-UHFFFAOYSA-N 1 2 262.309 2.329 20 10 CECDLO COc1cc(C)cc(C[N@@H+](C)Cc2ccon2)c1O ZINC000754739803 644423559 /nfs/dbraw/zinc/42/35/59/644423559.db2.gz BNYHVEMTKKTNEX-UHFFFAOYSA-N 1 2 262.309 2.329 20 10 CECDLO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(F)cc(F)c1O ZINC000756446610 644650399 /nfs/dbraw/zinc/65/03/99/644650399.db2.gz SOGWVTIPWZHCSF-MWLCHTKSSA-N 1 2 270.323 2.415 20 10 CECDLO CC[C@H](CCO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756602973 644673749 /nfs/dbraw/zinc/67/37/49/644673749.db2.gz HGZZFQYIVPEISX-PSASIEDQSA-N 1 2 259.296 2.482 20 10 CECDLO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(F)cc(F)c1O ZINC000756662187 644681314 /nfs/dbraw/zinc/68/13/14/644681314.db2.gz XSORIFYIGLAILM-ATZCPNFKSA-N 1 2 269.291 2.258 20 10 CECDLO CN(C)c1ccc(C[NH2+]Cc2cnn[nH]2)c(C(F)(F)F)c1 ZINC000858198396 645086432 /nfs/dbraw/zinc/08/64/32/645086432.db2.gz UNOJLAGEDDOKKF-UHFFFAOYSA-N 1 2 299.300 2.179 20 10 CECDLO CC[N@H+](CC[C@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000760850885 645201365 /nfs/dbraw/zinc/20/13/65/645201365.db2.gz IDDJSYSNNYSLQZ-ZDUSSCGKSA-N 1 2 297.420 2.346 20 10 CECDLO CC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000760850885 645201367 /nfs/dbraw/zinc/20/13/67/645201367.db2.gz IDDJSYSNNYSLQZ-ZDUSSCGKSA-N 1 2 297.420 2.346 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CCc3cn[nH]c3C2)cc1C ZINC000769469055 646273768 /nfs/dbraw/zinc/27/37/68/646273768.db2.gz QVPGFDYYBSGLLC-UHFFFAOYSA-N 1 2 257.337 2.290 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CCc3cn[nH]c3C2)cc1C ZINC000769469055 646273771 /nfs/dbraw/zinc/27/37/71/646273771.db2.gz QVPGFDYYBSGLLC-UHFFFAOYSA-N 1 2 257.337 2.290 20 10 CECDLO COC(=O)C1=CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000862466111 646470586 /nfs/dbraw/zinc/47/05/86/646470586.db2.gz MURAVJFGZPYKDF-NSHDSACASA-N 1 2 281.739 2.397 20 10 CECDLO COc1c(O)c(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058644 646920870 /nfs/dbraw/zinc/92/08/70/646920870.db2.gz VUYPUEZRLUGKGT-MWLCHTKSSA-N 1 2 298.314 2.489 20 10 CECDLO COc1c(O)c(C[N@H+]2CC[C@@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058644 646920872 /nfs/dbraw/zinc/92/08/72/646920872.db2.gz VUYPUEZRLUGKGT-MWLCHTKSSA-N 1 2 298.314 2.489 20 10 CECDLO COCCOC[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000776220636 647038076 /nfs/dbraw/zinc/03/80/76/647038076.db2.gz OSVQJWZNUGCPCV-SNVBAGLBSA-N 1 2 273.760 2.187 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000776231996 647040121 /nfs/dbraw/zinc/04/01/21/647040121.db2.gz QJUKCCCLGMWRQW-GFCCVEGCSA-N 1 2 291.775 2.142 20 10 CECDLO COCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000779003276 647281309 /nfs/dbraw/zinc/28/13/09/647281309.db2.gz UPWBVARPUOWCBN-UHFFFAOYSA-N 1 2 295.379 2.182 20 10 CECDLO COCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000779003276 647281315 /nfs/dbraw/zinc/28/13/15/647281315.db2.gz UPWBVARPUOWCBN-UHFFFAOYSA-N 1 2 295.379 2.182 20 10 CECDLO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(F)cc(F)c1O ZINC000866489866 647803913 /nfs/dbraw/zinc/80/39/13/647803913.db2.gz XYXVDEOYZUZFSF-QILRFPOHSA-N 1 2 257.280 2.234 20 10 CECDLO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)[C@H]1C ZINC000787420068 648107740 /nfs/dbraw/zinc/10/77/40/648107740.db2.gz CULAUCYRRYZRPP-GXSJLCMTSA-N 1 2 283.755 2.429 20 10 CECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)[C@H]1C ZINC000787420068 648107744 /nfs/dbraw/zinc/10/77/44/648107744.db2.gz CULAUCYRRYZRPP-GXSJLCMTSA-N 1 2 283.755 2.429 20 10 CECDLO COC(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)[C@H]1C ZINC000787420247 648107845 /nfs/dbraw/zinc/10/78/45/648107845.db2.gz CULAUCYRRYZRPP-ONGXEEELSA-N 1 2 283.755 2.429 20 10 CECDLO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)[C@H]1C ZINC000787420247 648107847 /nfs/dbraw/zinc/10/78/47/648107847.db2.gz CULAUCYRRYZRPP-ONGXEEELSA-N 1 2 283.755 2.429 20 10 CECDLO Oc1c(Cl)cccc1CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873229662 649601564 /nfs/dbraw/zinc/60/15/64/649601564.db2.gz DJSZTBUOWGYTCR-OCCSQVGLSA-N 1 2 266.772 2.420 20 10 CECDLO Oc1ccc(Cl)cc1C[NH+]1CCN(C2CC2)CC1 ZINC000127910061 651334765 /nfs/dbraw/zinc/33/47/65/651334765.db2.gz IHCJVAYYCONRNK-UHFFFAOYSA-N 1 2 266.772 2.326 20 10 CECDLO CC(C)[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nncn1C ZINC000883117403 652367425 /nfs/dbraw/zinc/36/74/25/652367425.db2.gz YIGYDZGOVVHVIW-GFCCVEGCSA-N 1 2 296.321 2.286 20 10 CECDLO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccn(C)n1 ZINC000883145172 652378036 /nfs/dbraw/zinc/37/80/36/652378036.db2.gz QJEZKCXSVLSYEY-QMMMGPOBSA-N 1 2 267.279 2.255 20 10 CECDLO Oc1c(Br)cccc1C[N@@H+]1CCCOCC1 ZINC000132726765 652550962 /nfs/dbraw/zinc/55/09/62/652550962.db2.gz KMPFLCJNELWZIR-UHFFFAOYSA-N 1 2 286.169 2.377 20 10 CECDLO Oc1c(Br)cccc1C[N@H+]1CCCOCC1 ZINC000132726765 652550965 /nfs/dbraw/zinc/55/09/65/652550965.db2.gz KMPFLCJNELWZIR-UHFFFAOYSA-N 1 2 286.169 2.377 20 10 CECDLO CC(=O)N1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1C ZINC001140341908 802840457 /nfs/dbraw/zinc/84/04/57/802840457.db2.gz KCYWKCAJRCHAFG-JTQLQIEISA-N 1 2 282.771 2.098 20 10 CECDLO CC(=O)N1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1C ZINC001140341908 802840463 /nfs/dbraw/zinc/84/04/63/802840463.db2.gz KCYWKCAJRCHAFG-JTQLQIEISA-N 1 2 282.771 2.098 20 10 CECDLO C[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)[C@@H]1CO ZINC001140582632 803177392 /nfs/dbraw/zinc/17/73/92/803177392.db2.gz KYJZTGISGSSQKK-TVQRCGJNSA-N 1 2 271.307 2.263 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001140584629 803186060 /nfs/dbraw/zinc/18/60/60/803186060.db2.gz ZTQZQQMHUHEWMH-AWEZNQCLSA-N 1 2 269.291 2.425 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@@]12CCOC2 ZINC001140584629 803186061 /nfs/dbraw/zinc/18/60/61/803186061.db2.gz ZTQZQQMHUHEWMH-AWEZNQCLSA-N 1 2 269.291 2.425 20 10 CECDLO Oc1c(Br)cccc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724918115 803347959 /nfs/dbraw/zinc/34/79/59/803347959.db2.gz QFTYDTNDQMQABK-QDYJBQRPSA-N 1 2 298.180 2.158 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CC[C@@H](O)C(F)F ZINC000716745826 815145741 /nfs/dbraw/zinc/14/57/41/815145741.db2.gz OMSXTPMYJNKVKK-SECBINFHSA-N 1 2 265.687 2.151 20 10 CECDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N)cc1 ZINC001120268496 815209629 /nfs/dbraw/zinc/20/96/29/815209629.db2.gz GHJKCQAKPXCVJA-QGZVFWFLSA-N 1 2 295.386 2.250 20 10 CECDLO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N)cc1 ZINC001120268496 815209631 /nfs/dbraw/zinc/20/96/31/815209631.db2.gz GHJKCQAKPXCVJA-QGZVFWFLSA-N 1 2 295.386 2.250 20 10 CECDLO CO[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703586111 809666693 /nfs/dbraw/zinc/66/66/93/809666693.db2.gz OBPQHMHHBSDPOM-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO CO[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703586111 809666697 /nfs/dbraw/zinc/66/66/97/809666697.db2.gz OBPQHMHHBSDPOM-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO C[C@]1([NH2+]Cc2cc(F)cc(F)c2O)CCCOC1 ZINC000708438209 809931303 /nfs/dbraw/zinc/93/13/03/809931303.db2.gz VSNOWOGGVAZERA-ZDUSSCGKSA-N 1 2 257.280 2.329 20 10 CECDLO Cn1c[nH+]c2ccc(NCC(=O)c3ccc(O)c(O)c3)cc21 ZINC001170314518 812385475 /nfs/dbraw/zinc/38/54/75/812385475.db2.gz BWFNXLJSLKIOJG-UHFFFAOYSA-N 1 2 297.314 2.279 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC000388201526 813231678 /nfs/dbraw/zinc/23/16/78/813231678.db2.gz SETBJLIDWUZGBW-SDBXPKJASA-N 1 2 283.755 2.061 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC000388201526 813231681 /nfs/dbraw/zinc/23/16/81/813231681.db2.gz SETBJLIDWUZGBW-SDBXPKJASA-N 1 2 283.755 2.061 20 10 CECDLO C[C@H]([NH2+]Cc1csnn1)c1ccc(N(C)C)cc1 ZINC000398248939 813665238 /nfs/dbraw/zinc/66/52/38/813665238.db2.gz UYNNSACMBKRDST-JTQLQIEISA-N 1 2 262.382 2.455 20 10 CECDLO C[N@@H+]1C[C@H]2CCCN(Cc3c(F)ccc(F)c3O)[C@@H]2C1 ZINC001139682714 814726940 /nfs/dbraw/zinc/72/69/40/814726940.db2.gz BGTUSBJWATVOKL-QMTHXVAHSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1C[C@H]2CCCN(Cc3c(F)ccc(F)c3O)[C@@H]2C1 ZINC001139682714 814726945 /nfs/dbraw/zinc/72/69/45/814726945.db2.gz BGTUSBJWATVOKL-QMTHXVAHSA-N 1 2 282.334 2.196 20 10 CECDLO CCOC(=O)[C@H]([NH2+]Cc1cc(C)c(C)cc1O)C1CC1 ZINC001116739833 814878972 /nfs/dbraw/zinc/87/89/72/814878972.db2.gz BOUYWSABCWSADW-OAHLLOKOSA-N 1 2 277.364 2.440 20 10 CECDLO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1c(O)cccc1F ZINC001137839719 815695582 /nfs/dbraw/zinc/69/55/82/815695582.db2.gz HUNFISIZJQRPAB-ZDUSSCGKSA-N 1 2 269.316 2.161 20 10 CECDLO COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1c(O)cccc1F ZINC001137839719 815695586 /nfs/dbraw/zinc/69/55/86/815695586.db2.gz HUNFISIZJQRPAB-ZDUSSCGKSA-N 1 2 269.316 2.161 20 10 CECDLO CC1(C)C[N@H+](Cc2cc(F)ccc2O)CCC1=O ZINC001140055060 816179250 /nfs/dbraw/zinc/17/92/50/816179250.db2.gz GHOCAVUSFFOUCO-UHFFFAOYSA-N 1 2 251.301 2.332 20 10 CECDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2O)CCC1=O ZINC001140055060 816179254 /nfs/dbraw/zinc/17/92/54/816179254.db2.gz GHOCAVUSFFOUCO-UHFFFAOYSA-N 1 2 251.301 2.332 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001140059124 816181103 /nfs/dbraw/zinc/18/11/03/816181103.db2.gz TZGYNJREZKORPK-MRXNPFEDSA-N 1 2 288.322 2.500 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001140059124 816181110 /nfs/dbraw/zinc/18/11/10/816181110.db2.gz TZGYNJREZKORPK-MRXNPFEDSA-N 1 2 288.322 2.500 20 10 CECDLO CO[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1F ZINC001140337819 816237169 /nfs/dbraw/zinc/23/71/69/816237169.db2.gz GYNHYKUMGYBDSZ-CMPLNLGQSA-N 1 2 259.708 2.214 20 10 CECDLO CO[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1F ZINC001140337819 816237176 /nfs/dbraw/zinc/23/71/76/816237176.db2.gz GYNHYKUMGYBDSZ-CMPLNLGQSA-N 1 2 259.708 2.214 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582787 816291429 /nfs/dbraw/zinc/29/14/29/816291429.db2.gz MXYQRPMOFGSVPE-NOZJJQNGSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582787 816291433 /nfs/dbraw/zinc/29/14/33/816291433.db2.gz MXYQRPMOFGSVPE-NOZJJQNGSA-N 1 2 271.307 2.263 20 10 CECDLO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CC12CC2 ZINC001140585194 816294543 /nfs/dbraw/zinc/29/45/43/816294543.db2.gz YMAUVIHKEKUGHQ-NSHDSACASA-N 1 2 297.301 2.055 20 10 CECDLO COC(=O)[C@@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CC12CC2 ZINC001140585194 816294550 /nfs/dbraw/zinc/29/45/50/816294550.db2.gz YMAUVIHKEKUGHQ-NSHDSACASA-N 1 2 297.301 2.055 20 10 CECDLO Cc1c(O)ccc(C[N@@H+]2Cc3ccncc3C2)c1O ZINC001140746068 816340892 /nfs/dbraw/zinc/34/08/92/816340892.db2.gz UKAWLUKAGQCGRV-UHFFFAOYSA-N 1 2 256.305 2.317 20 10 CECDLO Cc1c(O)ccc(C[N@H+]2Cc3ccncc3C2)c1O ZINC001140746068 816340899 /nfs/dbraw/zinc/34/08/99/816340899.db2.gz UKAWLUKAGQCGRV-UHFFFAOYSA-N 1 2 256.305 2.317 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(Cl)c1 ZINC001140923829 816411096 /nfs/dbraw/zinc/41/10/96/816411096.db2.gz ITBSZSQGRXQCGY-AWEZNQCLSA-N 1 2 295.814 2.246 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)c(Cl)c1 ZINC001140923829 816411098 /nfs/dbraw/zinc/41/10/98/816411098.db2.gz ITBSZSQGRXQCGY-AWEZNQCLSA-N 1 2 295.814 2.246 20 10 CECDLO C[N@H+](CC(=O)c1ccccc1)Cc1cc(O)ccc1O ZINC001141160789 816491710 /nfs/dbraw/zinc/49/17/10/816491710.db2.gz IPTLSABDUACMNT-UHFFFAOYSA-N 1 2 271.316 2.413 20 10 CECDLO C[N@@H+](CC(=O)c1ccccc1)Cc1cc(O)ccc1O ZINC001141160789 816491718 /nfs/dbraw/zinc/49/17/18/816491718.db2.gz IPTLSABDUACMNT-UHFFFAOYSA-N 1 2 271.316 2.413 20 10 CECDLO Oc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccccn3)C2)c1 ZINC001141160645 816491818 /nfs/dbraw/zinc/49/18/18/816491818.db2.gz GEYRAVBHIFDHNA-MRXNPFEDSA-N 1 2 286.331 2.066 20 10 CECDLO Oc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccccn3)C2)c1 ZINC001141160645 816491822 /nfs/dbraw/zinc/49/18/22/816491822.db2.gz GEYRAVBHIFDHNA-MRXNPFEDSA-N 1 2 286.331 2.066 20 10 CECDLO [NH3+]C[C@]1(F)CCCCN(Cc2c(F)ccc(F)c2O)C1 ZINC001206352145 816807641 /nfs/dbraw/zinc/80/76/41/816807641.db2.gz PGDUFCXEKMFVDQ-CQSZACIVSA-N 1 2 288.313 2.323 20 10 CECDLO COCCC[NH2+]Cc1cccc(Br)c1O ZINC000042411804 362091908 /nfs/dbraw/zinc/09/19/08/362091908.db2.gz LHQFYSFOKHPHAD-UHFFFAOYSA-N 1 2 274.158 2.281 20 10 CECDLO CCCN(Cc1ccccc1O)C(=O)CCn1cc[nH+]c1 ZINC000066096184 343706958 /nfs/dbraw/zinc/70/69/58/343706958.db2.gz BXOLOWVJJLSFCP-UHFFFAOYSA-N 1 2 287.363 2.418 20 10 CECDLO Cc1c2ccccc2n(C)c1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000357468649 540365052 /nfs/dbraw/zinc/36/50/52/540365052.db2.gz HFGSATRIJDQWRE-UHFFFAOYSA-N 1 2 296.374 2.459 20 10 CECDLO Cc1c2ccccc2n(C)c1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000357468649 540365055 /nfs/dbraw/zinc/36/50/55/540365055.db2.gz HFGSATRIJDQWRE-UHFFFAOYSA-N 1 2 296.374 2.459 20 10 CECDLO Cc1cccc(C[N@H+](C)CC(=O)OC(C)(C)C)c1O ZINC000179945673 368360133 /nfs/dbraw/zinc/36/01/33/368360133.db2.gz YJZRIMUMVLTWKK-UHFFFAOYSA-N 1 2 265.353 2.474 20 10 CECDLO Cc1cccc(C[N@@H+](C)CC(=O)OC(C)(C)C)c1O ZINC000179945673 368360138 /nfs/dbraw/zinc/36/01/38/368360138.db2.gz YJZRIMUMVLTWKK-UHFFFAOYSA-N 1 2 265.353 2.474 20 10 CECDLO CCC[C@@](C)([NH2+]Cc1cc(OC)ccc1O)C(=O)OC ZINC000180036261 368365212 /nfs/dbraw/zinc/36/52/12/368365212.db2.gz NTDHHWWOJNZYBD-OAHLLOKOSA-N 1 2 281.352 2.222 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(F)c(F)c1O ZINC000191215204 296146212 /nfs/dbraw/zinc/14/62/12/296146212.db2.gz QDYJKTWPJSHELR-VHSXEESVSA-N 1 2 298.333 2.332 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000272217373 373365093 /nfs/dbraw/zinc/36/50/93/373365093.db2.gz BJLXRWOJAKGRRB-ZDUSSCGKSA-N 1 2 251.301 2.142 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000272217373 373365101 /nfs/dbraw/zinc/36/51/01/373365101.db2.gz BJLXRWOJAKGRRB-ZDUSSCGKSA-N 1 2 251.301 2.142 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000371514268 373907098 /nfs/dbraw/zinc/90/70/98/373907098.db2.gz LPVDWWQIARPLJJ-DOMZBBRYSA-N 1 2 297.782 2.473 20 10 CECDLO Cc1nnc2n1CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000371635020 373938224 /nfs/dbraw/zinc/93/82/24/373938224.db2.gz QXNIZOODTKMRCC-UHFFFAOYSA-N 1 2 294.358 2.461 20 10 CECDLO Cc1nnc2n1CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC000371635020 373938229 /nfs/dbraw/zinc/93/82/29/373938229.db2.gz QXNIZOODTKMRCC-UHFFFAOYSA-N 1 2 294.358 2.461 20 10 CECDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1ncn(C)n1 ZINC000275802446 374221345 /nfs/dbraw/zinc/22/13/45/374221345.db2.gz YNGJADDUCWSGBN-RKDXNWHRSA-N 1 2 264.304 2.072 20 10 CECDLO O=C1NC[C@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)O1 ZINC000375556962 374661859 /nfs/dbraw/zinc/66/18/59/374661859.db2.gz JNQWIBPNLRDHBA-AWEZNQCLSA-N 1 2 296.754 2.120 20 10 CECDLO O=C1NC[C@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)O1 ZINC000375556962 374661864 /nfs/dbraw/zinc/66/18/64/374661864.db2.gz JNQWIBPNLRDHBA-AWEZNQCLSA-N 1 2 296.754 2.120 20 10 CECDLO C[S@](=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CCC1 ZINC000281685055 375392904 /nfs/dbraw/zinc/39/29/04/375392904.db2.gz BAHORAOOBDRKHX-SFHVURJKSA-N 1 2 287.812 2.436 20 10 CECDLO CC[N@H+](C[C@H]1CCNC(=O)CC1)c1ccc(OC)cc1 ZINC000295635279 378246079 /nfs/dbraw/zinc/24/60/79/378246079.db2.gz CQCUDAVSYWZCRN-CYBMUJFWSA-N 1 2 276.380 2.438 20 10 CECDLO CC[N@@H+](C[C@H]1CCNC(=O)CC1)c1ccc(OC)cc1 ZINC000295635279 378246084 /nfs/dbraw/zinc/24/60/84/378246084.db2.gz CQCUDAVSYWZCRN-CYBMUJFWSA-N 1 2 276.380 2.438 20 10 CECDLO Cc1c2ccccc2n(C)c1CNC(=O)Cc1c[nH+]cn1C ZINC000525942545 379682271 /nfs/dbraw/zinc/68/22/71/379682271.db2.gz YQKLUQRKIVJABF-UHFFFAOYSA-N 1 2 296.374 2.079 20 10 CECDLO COc1ccc(N2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000266164040 394659422 /nfs/dbraw/zinc/65/94/22/394659422.db2.gz OTCKZZZPQLHHLD-UHFFFAOYSA-N 1 2 284.363 2.120 20 10 CECDLO Cc1nc(N(C)Cc2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC000266138570 394659962 /nfs/dbraw/zinc/65/99/62/394659962.db2.gz GIZBLVAWDKJJGM-UHFFFAOYSA-N 1 2 298.390 2.258 20 10 CECDLO Cn1cnnc1C[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000288708229 395064830 /nfs/dbraw/zinc/06/48/30/395064830.db2.gz VCQXANZXDCLRCN-UHFFFAOYSA-N 1 2 282.347 2.306 20 10 CECDLO Cn1cnnc1C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000288708229 395064833 /nfs/dbraw/zinc/06/48/33/395064833.db2.gz VCQXANZXDCLRCN-UHFFFAOYSA-N 1 2 282.347 2.306 20 10 CECDLO COC(=O)COc1ccc([N@H+](C)CC2CCOCC2)cc1 ZINC000183792150 395262302 /nfs/dbraw/zinc/26/23/02/395262302.db2.gz JQXLDUXNNIWGQF-UHFFFAOYSA-N 1 2 293.363 2.101 20 10 CECDLO COC(=O)COc1ccc([N@@H+](C)CC2CCOCC2)cc1 ZINC000183792150 395262307 /nfs/dbraw/zinc/26/23/07/395262307.db2.gz JQXLDUXNNIWGQF-UHFFFAOYSA-N 1 2 293.363 2.101 20 10 CECDLO COCCCC[N@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000183800844 395262510 /nfs/dbraw/zinc/26/25/10/395262510.db2.gz VTFLDRQAVPHKSM-UHFFFAOYSA-N 1 2 281.352 2.101 20 10 CECDLO COCCCC[N@@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000183800844 395262515 /nfs/dbraw/zinc/26/25/15/395262515.db2.gz VTFLDRQAVPHKSM-UHFFFAOYSA-N 1 2 281.352 2.101 20 10 CECDLO CC[C@@H]([NH2+][C@H](CO)COC)c1cccc(Cl)c1O ZINC000286942130 286930679 /nfs/dbraw/zinc/93/06/79/286930679.db2.gz GXZDHJFYZOHUCY-BXKDBHETSA-N 1 2 273.760 2.094 20 10 CECDLO COC(=O)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC000035346584 172138535 /nfs/dbraw/zinc/13/85/35/172138535.db2.gz FMUWEHPSOPOXRA-AWEZNQCLSA-N 1 2 264.369 2.040 20 10 CECDLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363255 260095052 /nfs/dbraw/zinc/09/50/52/260095052.db2.gz DYIXGQCOHBMSTC-CQSZACIVSA-N 1 2 277.364 2.299 20 10 CECDLO CCC[C@](C)([NH2+]Cc1ccccc1O)C(=O)OC ZINC000184047294 262006189 /nfs/dbraw/zinc/00/61/89/262006189.db2.gz YGWILXRFXOJXCL-AWEZNQCLSA-N 1 2 251.326 2.214 20 10 CECDLO COC(=O)[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)C1CC1 ZINC000276451515 263036813 /nfs/dbraw/zinc/03/68/13/263036813.db2.gz JWBWAIXNPGMHJI-AWEZNQCLSA-N 1 2 263.337 2.050 20 10 CECDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(Cl)c1O ZINC000368974798 267215687 /nfs/dbraw/zinc/21/56/87/267215687.db2.gz PEHTXSIPDAVFJP-GAFUQQFSSA-N 1 2 294.782 2.131 20 10 CECDLO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccc(Cl)c1O ZINC000368974798 267215689 /nfs/dbraw/zinc/21/56/89/267215689.db2.gz PEHTXSIPDAVFJP-GAFUQQFSSA-N 1 2 294.782 2.131 20 10 CECDLO Oc1ccc(Cl)cc1CN1CCn2c[nH+]cc2C1 ZINC000370666406 267336126 /nfs/dbraw/zinc/33/61/26/267336126.db2.gz HBLOGTXWRXVGCY-UHFFFAOYSA-N 1 2 263.728 2.258 20 10 CECDLO COc1cccc(C[N@@H+]2CCC[C@H]2c2ncon2)c1O ZINC000371376664 267395470 /nfs/dbraw/zinc/39/54/70/267395470.db2.gz ZDGWEICSVKYPHX-NSHDSACASA-N 1 2 275.308 2.121 20 10 CECDLO COc1cccc(C[N@H+]2CCC[C@H]2c2ncon2)c1O ZINC000371376664 267395472 /nfs/dbraw/zinc/39/54/72/267395472.db2.gz ZDGWEICSVKYPHX-NSHDSACASA-N 1 2 275.308 2.121 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000371373552 267395608 /nfs/dbraw/zinc/39/56/08/267395608.db2.gz NCTYVHREPZHGKD-GFCCVEGCSA-N 1 2 259.309 2.421 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ncon2)c1 ZINC000371373552 267395611 /nfs/dbraw/zinc/39/56/11/267395611.db2.gz NCTYVHREPZHGKD-GFCCVEGCSA-N 1 2 259.309 2.421 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1O ZINC000227156252 333277422 /nfs/dbraw/zinc/27/74/22/333277422.db2.gz HEHKYMDNPCEWQI-HUUCEWRRSA-N 1 2 293.338 2.487 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1O ZINC000227156252 333277423 /nfs/dbraw/zinc/27/74/23/333277423.db2.gz HEHKYMDNPCEWQI-HUUCEWRRSA-N 1 2 293.338 2.487 20 10 CECDLO CCN1CC[N@H+](Cc2cccc(F)c2O)[C@H](C)C1 ZINC000289863817 521689344 /nfs/dbraw/zinc/68/93/44/521689344.db2.gz VNDCJBLCRTXFGI-LLVKDONJSA-N 1 2 252.333 2.057 20 10 CECDLO CCN1CC[N@@H+](Cc2cccc(F)c2O)[C@H](C)C1 ZINC000289863817 521689346 /nfs/dbraw/zinc/68/93/46/521689346.db2.gz VNDCJBLCRTXFGI-LLVKDONJSA-N 1 2 252.333 2.057 20 10 CECDLO CCCN(Cc1ccccc1O)C(=O)CCc1[nH]cc[nH+]1 ZINC000279215035 521688144 /nfs/dbraw/zinc/68/81/44/521688144.db2.gz OIVSCLXPLWIGQY-UHFFFAOYSA-N 1 2 287.363 2.487 20 10 CECDLO CN(C)c1ccc(CN2CCn3c[nH+]cc3C2)cc1F ZINC000291642261 522186078 /nfs/dbraw/zinc/18/60/78/522186078.db2.gz TWYUEQICROLCRC-UHFFFAOYSA-N 1 2 274.343 2.104 20 10 CECDLO CN(Cc1ccccc1O)c1cc(N2CCCC2)[nH+]cn1 ZINC000277273723 523388750 /nfs/dbraw/zinc/38/87/50/523388750.db2.gz ABUNFICJMBOORM-UHFFFAOYSA-N 1 2 284.363 2.419 20 10 CECDLO CN(Cc1ccccc1O)c1cc(N2CCCC2)nc[nH+]1 ZINC000277273723 523388756 /nfs/dbraw/zinc/38/87/56/523388756.db2.gz ABUNFICJMBOORM-UHFFFAOYSA-N 1 2 284.363 2.419 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[S@](=O)C1 ZINC000277384594 525005930 /nfs/dbraw/zinc/00/59/30/525005930.db2.gz GNGLUBFNBMYDSV-MGNBDDOMSA-N 1 2 287.812 2.246 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[S@](=O)C1 ZINC000277384594 525005943 /nfs/dbraw/zinc/00/59/43/525005943.db2.gz GNGLUBFNBMYDSV-MGNBDDOMSA-N 1 2 287.812 2.246 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252740190 526328662 /nfs/dbraw/zinc/32/86/62/526328662.db2.gz IRJLCBVTOLYMRL-XYPYZODXSA-N 1 2 255.745 2.439 20 10 CECDLO C[NH+](C)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccco1 ZINC000731864484 574604210 /nfs/dbraw/zinc/60/42/10/574604210.db2.gz XXAOFMAJZROVLH-JTQLQIEISA-N 1 2 280.349 2.079 20 10 CECDLO CCOC(=O)[C@@H](CC1CC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000753569905 575330313 /nfs/dbraw/zinc/33/03/13/575330313.db2.gz IRULFTYOTYDMTH-OAHLLOKOSA-N 1 2 289.375 2.443 20 10 CECDLO OCC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCC1 ZINC000753590738 575331098 /nfs/dbraw/zinc/33/10/98/575331098.db2.gz CDIDCZFJWZFVIU-UHFFFAOYSA-N 1 2 273.735 2.437 20 10 CECDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000725843067 625631986 /nfs/dbraw/zinc/63/19/86/625631986.db2.gz QTBHECKQBJJBHP-SECBINFHSA-N 1 2 259.309 2.164 20 10 CECDLO CC(C)(CN1CCOCC1)[NH2+]Cc1cccc(Cl)c1O ZINC000308639747 623706196 /nfs/dbraw/zinc/70/61/96/623706196.db2.gz KRXWESYSKQHXKH-UHFFFAOYSA-N 1 2 298.814 2.246 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000894425007 629453997 /nfs/dbraw/zinc/45/39/97/629453997.db2.gz PTXNJTPCVAZZEZ-UHFFFAOYSA-N 1 2 285.290 2.009 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000894425007 629453999 /nfs/dbraw/zinc/45/39/99/629453999.db2.gz PTXNJTPCVAZZEZ-UHFFFAOYSA-N 1 2 285.290 2.009 20 10 CECDLO C[N@@H+](Cc1ncc[nH]1)Cc1cc(Cl)ccc1O ZINC000894583482 629545657 /nfs/dbraw/zinc/54/56/57/629545657.db2.gz BHPYUKLHKJIAEB-UHFFFAOYSA-N 1 2 251.717 2.401 20 10 CECDLO C[N@H+](CCCO)Cc1cc(Br)cc(F)c1O ZINC000894663300 629578492 /nfs/dbraw/zinc/57/84/92/629578492.db2.gz MZUYVDFZIPIYEV-UHFFFAOYSA-N 1 2 292.148 2.108 20 10 CECDLO C[N@@H+](CCCO)Cc1cc(Br)cc(F)c1O ZINC000894663300 629578496 /nfs/dbraw/zinc/57/84/96/629578496.db2.gz MZUYVDFZIPIYEV-UHFFFAOYSA-N 1 2 292.148 2.108 20 10 CECDLO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1cc(Cl)ccc1O ZINC000895113768 629913926 /nfs/dbraw/zinc/91/39/26/629913926.db2.gz KDCPPPUASINNGI-IVZWLZJFSA-N 1 2 282.771 2.143 20 10 CECDLO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000895388856 630159454 /nfs/dbraw/zinc/15/94/54/630159454.db2.gz AULMIHYRICBRHK-NSHDSACASA-N 1 2 283.274 2.022 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824725941 635486018 /nfs/dbraw/zinc/48/60/18/635486018.db2.gz AJRGTJJTONKCDG-LBPRGKRZSA-N 1 2 295.688 2.387 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824725941 635486024 /nfs/dbraw/zinc/48/60/24/635486024.db2.gz AJRGTJJTONKCDG-LBPRGKRZSA-N 1 2 295.688 2.387 20 10 CECDLO CCOCCOCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000897203664 630988841 /nfs/dbraw/zinc/98/88/41/630988841.db2.gz BHAVCNGASOGHSI-UHFFFAOYSA-N 1 2 291.750 2.327 20 10 CECDLO CCc1nnc(C[NH2+]Cc2c(O)cccc2OC)s1 ZINC000810176212 632191631 /nfs/dbraw/zinc/19/16/31/632191631.db2.gz KKUOFQFEJZAEMB-UHFFFAOYSA-N 1 2 279.365 2.105 20 10 CECDLO Cc1cn(C(C)(C)C(=O)N2Cc3cccc(O)c3C2)c[nH+]1 ZINC000899172616 632727609 /nfs/dbraw/zinc/72/76/09/632727609.db2.gz DGIMGRXCQPRVFZ-UHFFFAOYSA-N 1 2 285.347 2.175 20 10 CECDLO Cn1nccc1CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816569949 633415159 /nfs/dbraw/zinc/41/51/59/633415159.db2.gz CEVBHURBJPJDDX-UHFFFAOYSA-N 1 2 283.734 2.251 20 10 CECDLO CC(=O)OC1CC[NH+](Cc2ccc(F)c(F)c2O)CC1 ZINC000876742200 650415939 /nfs/dbraw/zinc/41/59/39/650415939.db2.gz ZGSSLMUITBRERE-UHFFFAOYSA-N 1 2 285.290 2.198 20 10 CECDLO COc1cccc(CNc2ccc(N(C)C)c[nH+]2)c1O ZINC000150914183 639004582 /nfs/dbraw/zinc/00/45/82/639004582.db2.gz YSFLHOYZOYSZIV-UHFFFAOYSA-N 1 2 273.336 2.474 20 10 CECDLO Oc1c(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)ccc(F)c1F ZINC000876967312 650511133 /nfs/dbraw/zinc/51/11/33/650511133.db2.gz GEJGBVFYUVLAIN-DZGCQCFKSA-N 1 2 291.297 2.418 20 10 CECDLO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000841048960 639631963 /nfs/dbraw/zinc/63/19/63/639631963.db2.gz IDMPBVDBLRWYMN-LBPRGKRZSA-N 1 2 299.212 2.290 20 10 CECDLO C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057673 640260377 /nfs/dbraw/zinc/26/03/77/640260377.db2.gz QNWRQSALDOKRMO-IUCAKERBSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057673 640260389 /nfs/dbraw/zinc/26/03/89/640260389.db2.gz QNWRQSALDOKRMO-IUCAKERBSA-N 1 2 272.751 2.354 20 10 CECDLO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)[C@@H]2COC[C@H]2O1 ZINC000846117829 641191367 /nfs/dbraw/zinc/19/13/67/641191367.db2.gz HFNGPMLCSJQKHW-TZMCWYRMSA-N 1 2 297.782 2.424 20 10 CECDLO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)[C@@H]2COC[C@H]2O1 ZINC000846117829 641191373 /nfs/dbraw/zinc/19/13/73/641191373.db2.gz HFNGPMLCSJQKHW-TZMCWYRMSA-N 1 2 297.782 2.424 20 10 CECDLO COCc1cc[nH+]c(NCc2cc3c(cc2O)OCO3)c1 ZINC000846118477 641192001 /nfs/dbraw/zinc/19/20/01/641192001.db2.gz ZIGILSONWRVIGR-UHFFFAOYSA-N 1 2 288.303 2.274 20 10 CECDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877409261 650710768 /nfs/dbraw/zinc/71/07/68/650710768.db2.gz ONXPVPDQPZDQQE-VHSXEESVSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877409261 650710770 /nfs/dbraw/zinc/71/07/70/650710770.db2.gz ONXPVPDQPZDQQE-VHSXEESVSA-N 1 2 270.323 2.195 20 10 CECDLO Cc1ccc([C@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)c(O)c1 ZINC000848560669 642053710 /nfs/dbraw/zinc/05/37/10/642053710.db2.gz JDLHFVGSJYZEDV-NSHDSACASA-N 1 2 289.383 2.293 20 10 CECDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ncnn21 ZINC000850351938 642677952 /nfs/dbraw/zinc/67/79/52/642677952.db2.gz KBILEQHKKGGHNQ-MFKMUULPSA-N 1 2 289.358 2.279 20 10 CECDLO CC[C@@H]([NH2+]Cc1nc(COC)n[nH]1)c1ccc(F)cc1O ZINC000850514171 642737140 /nfs/dbraw/zinc/73/71/40/642737140.db2.gz CXKOVEIWOBTSOF-LLVKDONJSA-N 1 2 294.330 2.037 20 10 CECDLO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877553263 650784058 /nfs/dbraw/zinc/78/40/58/650784058.db2.gz MCQLTHJRSSJYCY-NSHDSACASA-N 1 2 270.323 2.196 20 10 CECDLO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877553263 650784061 /nfs/dbraw/zinc/78/40/61/650784061.db2.gz MCQLTHJRSSJYCY-NSHDSACASA-N 1 2 270.323 2.196 20 10 CECDLO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877553262 650784342 /nfs/dbraw/zinc/78/43/42/650784342.db2.gz MCQLTHJRSSJYCY-LLVKDONJSA-N 1 2 270.323 2.196 20 10 CECDLO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877553262 650784343 /nfs/dbraw/zinc/78/43/43/650784343.db2.gz MCQLTHJRSSJYCY-LLVKDONJSA-N 1 2 270.323 2.196 20 10 CECDLO Cc1nnc(C[NH2+]Cc2ccc3c(c2)CCCO3)s1 ZINC000921979980 642823351 /nfs/dbraw/zinc/82/33/51/642823351.db2.gz JCDCHBHURGRQEX-UHFFFAOYSA-N 1 2 275.377 2.461 20 10 CECDLO CCc1ncc(C[N@@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877703111 650859641 /nfs/dbraw/zinc/85/96/41/650859641.db2.gz RTVPSPREUGRLBU-UHFFFAOYSA-N 1 2 255.321 2.260 20 10 CECDLO CCc1ncc(C[N@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877703111 650859644 /nfs/dbraw/zinc/85/96/44/650859644.db2.gz RTVPSPREUGRLBU-UHFFFAOYSA-N 1 2 255.321 2.260 20 10 CECDLO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cc(F)cc(F)c1O ZINC000756446608 644650693 /nfs/dbraw/zinc/65/06/93/644650693.db2.gz SOGWVTIPWZHCSF-GXSJLCMTSA-N 1 2 270.323 2.415 20 10 CECDLO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(F)cc(F)c1O ZINC000756534700 644659981 /nfs/dbraw/zinc/65/99/81/644659981.db2.gz NAEKDOUHCWCKMU-PSASIEDQSA-N 1 2 256.296 2.025 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1nncn1C ZINC000756531717 644659988 /nfs/dbraw/zinc/65/99/88/644659988.db2.gz BKZSRBIOODAJTN-JGVFFNPUSA-N 1 2 282.294 2.211 20 10 CECDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756773959 644691578 /nfs/dbraw/zinc/69/15/78/644691578.db2.gz DFKBRZZIAZYPML-JQEORGNBSA-N 1 2 298.333 2.236 20 10 CECDLO CCOc1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c(O)c1 ZINC000758504008 644935827 /nfs/dbraw/zinc/93/58/27/644935827.db2.gz GVBZAWKFURDFKP-CYBMUJFWSA-N 1 2 287.363 2.161 20 10 CECDLO CC[C@@H]([NH2+]C[C@H]1COCCN1C)c1cccc(Cl)c1O ZINC000858523510 645190687 /nfs/dbraw/zinc/19/06/87/645190687.db2.gz RDGDGSBVOZDQSB-SMDDNHRTSA-N 1 2 298.814 2.417 20 10 CECDLO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000761222470 645259012 /nfs/dbraw/zinc/25/90/12/645259012.db2.gz JCJPYBZWUSGKCB-STQMWFEESA-N 1 2 285.771 2.329 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[S@@]1=O ZINC000763488832 645550968 /nfs/dbraw/zinc/55/09/68/645550968.db2.gz FHIHVIYVTUNPMY-MGNBDDOMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[S@@]1=O ZINC000763488832 645550969 /nfs/dbraw/zinc/55/09/69/645550969.db2.gz FHIHVIYVTUNPMY-MGNBDDOMSA-N 1 2 287.812 2.389 20 10 CECDLO O=C1C[N@H+](Cc2ccccc2O)CCN1c1ccccc1 ZINC000765693317 645799299 /nfs/dbraw/zinc/79/92/99/645799299.db2.gz LKXCATSZVDVIDC-UHFFFAOYSA-N 1 2 282.343 2.241 20 10 CECDLO O=C1C[N@@H+](Cc2ccccc2O)CCN1c1ccccc1 ZINC000765693317 645799303 /nfs/dbraw/zinc/79/93/03/645799303.db2.gz LKXCATSZVDVIDC-UHFFFAOYSA-N 1 2 282.343 2.241 20 10 CECDLO Cc1[nH]c(CN(C)c2ccc3c(c2)OCO3)[nH+]c1C ZINC000862306419 646398048 /nfs/dbraw/zinc/39/80/48/646398048.db2.gz KRMBFZUMOZNBTC-UHFFFAOYSA-N 1 2 259.309 2.392 20 10 CECDLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1O ZINC000864423131 646997817 /nfs/dbraw/zinc/99/78/17/646997817.db2.gz AIAFELICPOQROZ-NWDGAFQWSA-N 1 2 288.351 2.038 20 10 CECDLO C[C@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1O ZINC000864424559 646998175 /nfs/dbraw/zinc/99/81/75/646998175.db2.gz XTYHIXHLUXBVAI-LBPRGKRZSA-N 1 2 288.351 2.039 20 10 CECDLO Cc1nc(N[C@H](C)c2ccc(N(C)C)cc2)nc(N)[nH+]1 ZINC000865684787 647422406 /nfs/dbraw/zinc/42/24/06/647422406.db2.gz JXBOEMJDYDZRHN-SECBINFHSA-N 1 2 272.356 2.001 20 10 CECDLO Cc1nc(N)nc(N[C@H](C)c2ccc(N(C)C)cc2)[nH+]1 ZINC000865684787 647422408 /nfs/dbraw/zinc/42/24/08/647422408.db2.gz JXBOEMJDYDZRHN-SECBINFHSA-N 1 2 272.356 2.001 20 10 CECDLO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nncn1C ZINC000790959985 648464465 /nfs/dbraw/zinc/46/44/65/648464465.db2.gz QAJRKNYNYCIEIE-ZETCQYMHSA-N 1 2 284.722 2.164 20 10 CECDLO CCOc1cccc(C[NH+]2C[C@H](C)S(=O)[C@@H](C)C2)c1O ZINC000792191865 648622270 /nfs/dbraw/zinc/62/22/70/648622270.db2.gz CZDIVCHJFPWOAH-RYUDHWBXSA-N 1 2 297.420 2.132 20 10 CECDLO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883039257 652340205 /nfs/dbraw/zinc/34/02/05/652340205.db2.gz IVIGNEBABPVJEX-OTYXRUKQSA-N 1 2 282.334 2.243 20 10 CECDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Cl)cc1O ZINC001140463088 802936889 /nfs/dbraw/zinc/93/68/89/802936889.db2.gz SBFLZAIFJFICIW-ZBINZKHDSA-N 1 2 297.782 2.017 20 10 CECDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Cl)cc1O ZINC001140463088 802936894 /nfs/dbraw/zinc/93/68/94/802936894.db2.gz SBFLZAIFJFICIW-ZBINZKHDSA-N 1 2 297.782 2.017 20 10 CECDLO Cc1cc(F)cc(C[N@@H+]2CCC(=O)[C@@H](C)C2)c1O ZINC001238057302 808293468 /nfs/dbraw/zinc/29/34/68/808293468.db2.gz KGEBHXWGMWTQFV-JTQLQIEISA-N 1 2 251.301 2.251 20 10 CECDLO Cc1cc(F)cc(C[N@H+]2CCC(=O)[C@@H](C)C2)c1O ZINC001238057302 808293473 /nfs/dbraw/zinc/29/34/73/808293473.db2.gz KGEBHXWGMWTQFV-JTQLQIEISA-N 1 2 251.301 2.251 20 10 CECDLO C[C@H]1CN(Cc2ccc(F)c(F)c2O)C[C@H]1[NH+](C)C ZINC000703501957 809652559 /nfs/dbraw/zinc/65/25/59/809652559.db2.gz MGRKGCBPXCSPRJ-JOYOIKCWSA-N 1 2 270.323 2.052 20 10 CECDLO CCOC(=O)C1(F)CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137837732 809782485 /nfs/dbraw/zinc/78/24/85/809782485.db2.gz SFDBYIFJJANYNJ-UHFFFAOYSA-N 1 2 299.317 2.399 20 10 CECDLO CN1CCCc2cc(C[NH+]3CCC(=O)CC3)ccc21 ZINC001138354265 815773095 /nfs/dbraw/zinc/77/30/95/815773095.db2.gz COUQATIXXBVXQO-UHFFFAOYSA-N 1 2 258.365 2.234 20 10 CECDLO CCN(CC[NH+](C)C)Cc1c(F)ccc(F)c1O ZINC001139685890 816081611 /nfs/dbraw/zinc/08/16/11/816081611.db2.gz ZZHCCRACFJBRNO-UHFFFAOYSA-N 1 2 258.312 2.054 20 10 CECDLO CN(CC[NH+]1CCCC1)Cc1c(F)ccc(F)c1O ZINC001139685930 816081950 /nfs/dbraw/zinc/08/19/50/816081950.db2.gz FRROCCFRCOGQII-UHFFFAOYSA-N 1 2 270.323 2.198 20 10 CECDLO C[N@@H+]1CCC[C@@H]2CN(Cc3c(O)cc(F)cc3F)C[C@@H]21 ZINC001140585259 816294367 /nfs/dbraw/zinc/29/43/67/816294367.db2.gz BUMAKRPKSAXAAI-YGRLFVJLSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1CCC[C@@H]2CN(Cc3c(O)cc(F)cc3F)C[C@@H]21 ZINC001140585259 816294369 /nfs/dbraw/zinc/29/43/69/816294369.db2.gz BUMAKRPKSAXAAI-YGRLFVJLSA-N 1 2 282.334 2.196 20 10 CECDLO Cc1ccc(C[N@@H+]2CC(F)(F)C[C@@]2(C)CO)c(O)c1 ZINC001140947963 816422785 /nfs/dbraw/zinc/42/27/85/816422785.db2.gz NKINPPBBYWDYMD-ZDUSSCGKSA-N 1 2 271.307 2.293 20 10 CECDLO Cc1ccc(C[N@H+]2CC(F)(F)C[C@@]2(C)CO)c(O)c1 ZINC001140947963 816422788 /nfs/dbraw/zinc/42/27/88/816422788.db2.gz NKINPPBBYWDYMD-ZDUSSCGKSA-N 1 2 271.307 2.293 20 10 CECDLO Oc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](F)C2)c1 ZINC001141156701 816490082 /nfs/dbraw/zinc/49/00/82/816490082.db2.gz QZBBRGBYNZQUFO-LLVKDONJSA-N 1 2 261.243 2.277 20 10 CECDLO Oc1ccc(O)c(C[N@H+]2CCC(F)(F)[C@H](F)C2)c1 ZINC001141156701 816490087 /nfs/dbraw/zinc/49/00/87/816490087.db2.gz QZBBRGBYNZQUFO-LLVKDONJSA-N 1 2 261.243 2.277 20 10 CECDLO CCCC[N@H+](CC(=O)OCC)Cc1cc(O)ccc1O ZINC001141161851 816492357 /nfs/dbraw/zinc/49/23/57/816492357.db2.gz GBWBCDAQBJLXCQ-UHFFFAOYSA-N 1 2 281.352 2.263 20 10 CECDLO CCCC[N@@H+](CC(=O)OCC)Cc1cc(O)ccc1O ZINC001141161851 816492360 /nfs/dbraw/zinc/49/23/60/816492360.db2.gz GBWBCDAQBJLXCQ-UHFFFAOYSA-N 1 2 281.352 2.263 20 10 CECDLO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)c(F)c1O ZINC000191186870 299292251 /nfs/dbraw/zinc/29/22/51/299292251.db2.gz MDVBYWVZDVQVMS-JTQLQIEISA-N 1 2 298.333 2.334 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271027980 284012873 /nfs/dbraw/zinc/01/28/73/284012873.db2.gz FBYSMANZMQNOIY-AWEZNQCLSA-N 1 2 280.343 2.029 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000271027980 284012878 /nfs/dbraw/zinc/01/28/78/284012878.db2.gz FBYSMANZMQNOIY-AWEZNQCLSA-N 1 2 280.343 2.029 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000180005797 368363083 /nfs/dbraw/zinc/36/30/83/368363083.db2.gz GRVFWLADEFWJFN-CQSZACIVSA-N 1 2 264.344 2.201 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000180005797 368363085 /nfs/dbraw/zinc/36/30/85/368363085.db2.gz GRVFWLADEFWJFN-CQSZACIVSA-N 1 2 264.344 2.201 20 10 CECDLO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1O ZINC000187792213 369223669 /nfs/dbraw/zinc/22/36/69/369223669.db2.gz HWIKALZSQHLJEG-BDAKNGLRSA-N 1 2 296.317 2.084 20 10 CECDLO CC(C)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000188918350 369428397 /nfs/dbraw/zinc/42/83/97/369428397.db2.gz WZCVOAPYSPTTCA-CYBMUJFWSA-N 1 2 296.798 2.392 20 10 CECDLO CC(C)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000188918350 369428401 /nfs/dbraw/zinc/42/84/01/369428401.db2.gz WZCVOAPYSPTTCA-CYBMUJFWSA-N 1 2 296.798 2.392 20 10 CECDLO Cc1cccc(C[N@H+]2CCN(CC(C)C)C(=O)C2)c1O ZINC000190097281 369594941 /nfs/dbraw/zinc/59/49/41/369594941.db2.gz ZMLCVJPYBNYXKS-UHFFFAOYSA-N 1 2 276.380 2.001 20 10 CECDLO Cc1cccc(C[N@@H+]2CCN(CC(C)C)C(=O)C2)c1O ZINC000190097281 369594945 /nfs/dbraw/zinc/59/49/45/369594945.db2.gz ZMLCVJPYBNYXKS-UHFFFAOYSA-N 1 2 276.380 2.001 20 10 CECDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000271196721 373174915 /nfs/dbraw/zinc/17/49/15/373174915.db2.gz OAABMCWMIRXIPT-NQCMUKECSA-N 1 2 280.437 2.094 20 10 CECDLO C[C@@H]1[C@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000271196721 373174920 /nfs/dbraw/zinc/17/49/20/373174920.db2.gz OAABMCWMIRXIPT-NQCMUKECSA-N 1 2 280.437 2.094 20 10 CECDLO COCCCCC[N@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000273078791 373746357 /nfs/dbraw/zinc/74/63/57/373746357.db2.gz KUZXKSOJYDECIT-UHFFFAOYSA-N 1 2 295.379 2.491 20 10 CECDLO COCCCCC[N@@H+](C)c1ccc(OCC(=O)OC)cc1 ZINC000273078791 373746363 /nfs/dbraw/zinc/74/63/63/373746363.db2.gz KUZXKSOJYDECIT-UHFFFAOYSA-N 1 2 295.379 2.491 20 10 CECDLO Cc1n[nH]c(C2CC[NH+](Cc3cccc(F)c3O)CC2)n1 ZINC000371533476 373915251 /nfs/dbraw/zinc/91/52/51/373915251.db2.gz HHYIMLOWRNQFLB-UHFFFAOYSA-N 1 2 290.342 2.337 20 10 CECDLO Cc1nnc(C2CC[NH+](Cc3cccc(F)c3O)CC2)[nH]1 ZINC000371533476 373915265 /nfs/dbraw/zinc/91/52/65/373915265.db2.gz HHYIMLOWRNQFLB-UHFFFAOYSA-N 1 2 290.342 2.337 20 10 CECDLO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000291993674 377220330 /nfs/dbraw/zinc/22/03/30/377220330.db2.gz WWDLUARULBCKJR-RQJHMYQMSA-N 1 2 291.178 2.484 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000294921337 378030014 /nfs/dbraw/zinc/03/00/14/378030014.db2.gz OCTGGZPWTUSYBB-NSHDSACASA-N 1 2 287.718 2.322 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000294921337 378030019 /nfs/dbraw/zinc/03/00/19/378030019.db2.gz OCTGGZPWTUSYBB-NSHDSACASA-N 1 2 287.718 2.322 20 10 CECDLO C[C@H]1COCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000295177973 378046705 /nfs/dbraw/zinc/04/67/05/378046705.db2.gz VHQJSNNZMNWJIC-QMMMGPOBSA-N 1 2 259.708 2.405 20 10 CECDLO C[C@H]1COCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000295177973 378046709 /nfs/dbraw/zinc/04/67/09/378046709.db2.gz VHQJSNNZMNWJIC-QMMMGPOBSA-N 1 2 259.708 2.405 20 10 CECDLO CC1(C)[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C[C@@H]1O ZINC000294816409 378021271 /nfs/dbraw/zinc/02/12/71/378021271.db2.gz XDMVTSQNSFNMEW-NEPJUHHUSA-N 1 2 273.735 2.434 20 10 CECDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000124536532 394838810 /nfs/dbraw/zinc/83/88/10/394838810.db2.gz UFCNHUKJAYRUFL-LBPRGKRZSA-N 1 2 282.771 2.146 20 10 CECDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000124536532 394838812 /nfs/dbraw/zinc/83/88/12/394838812.db2.gz UFCNHUKJAYRUFL-LBPRGKRZSA-N 1 2 282.771 2.146 20 10 CECDLO Cc1cnn(C2C[NH+](Cc3ccc(N(C)C)c(F)c3)C2)c1 ZINC000375859975 395101444 /nfs/dbraw/zinc/10/14/44/395101444.db2.gz LFPMETMBOQXFRD-UHFFFAOYSA-N 1 2 288.370 2.454 20 10 CECDLO O=C1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@H](C2CC2)N1 ZINC000366927365 225690655 /nfs/dbraw/zinc/69/06/55/225690655.db2.gz XUSIQILHSHKOEB-JSGCOSHPSA-N 1 2 294.782 2.192 20 10 CECDLO CC[C@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(=O)OC ZINC000293057855 263137778 /nfs/dbraw/zinc/13/77/78/263137778.db2.gz GHDWCWSZHAEFOP-HNNXBMFYSA-N 1 2 297.326 2.165 20 10 CECDLO Oc1ccccc1C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000368620546 267191219 /nfs/dbraw/zinc/19/12/19/267191219.db2.gz ANFCAGIVILOPSY-HNNXBMFYSA-N 1 2 280.331 2.390 20 10 CECDLO CCOCCOC1C[NH+](Cc2cccc(OCC)c2O)C1 ZINC000272453263 519979063 /nfs/dbraw/zinc/97/90/63/519979063.db2.gz WLUOUAGHUUDRJN-UHFFFAOYSA-N 1 2 295.379 2.028 20 10 CECDLO CCCC[C@@H]([NH2+]Cc1cc(F)ccc1O)C(=O)OC ZINC000083513793 521100596 /nfs/dbraw/zinc/10/05/96/521100596.db2.gz WHHNFODDGNJQLS-GFCCVEGCSA-N 1 2 269.316 2.353 20 10 CECDLO CN(C)c1ccc(CNc2ccc(CO)c[nH+]2)cc1F ZINC000291545615 522213658 /nfs/dbraw/zinc/21/36/58/522213658.db2.gz LTBLNRHVNFETLD-UHFFFAOYSA-N 1 2 275.327 2.391 20 10 CECDLO C[N@H+](Cc1nnc2n1CCCCC2)Cc1ccccc1O ZINC000264694077 523610823 /nfs/dbraw/zinc/61/08/23/523610823.db2.gz IAJLXRRQGCUASJ-UHFFFAOYSA-N 1 2 286.379 2.342 20 10 CECDLO C[N@@H+](Cc1nnc2n1CCCCC2)Cc1ccccc1O ZINC000264694077 523610833 /nfs/dbraw/zinc/61/08/33/523610833.db2.gz IAJLXRRQGCUASJ-UHFFFAOYSA-N 1 2 286.379 2.342 20 10 CECDLO COc1ccc(O)c(CNc2ccc(N(C)C)[nH+]c2)c1 ZINC000036988719 524755629 /nfs/dbraw/zinc/75/56/29/524755629.db2.gz MAGFFRHXGONCLL-UHFFFAOYSA-N 1 2 273.336 2.474 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1nncn1C ZINC000276896655 525609702 /nfs/dbraw/zinc/60/97/02/525609702.db2.gz INBQECQIBGRBQX-JGVFFNPUSA-N 1 2 282.294 2.211 20 10 CECDLO O=C(NCc1cn2ccccc2[nH+]1)C1=CC(=O)CS1 ZINC000732262296 574616134 /nfs/dbraw/zinc/61/61/34/574616134.db2.gz UDTXPTHZXUPFRB-UHFFFAOYSA-N 1 2 273.317 2.031 20 10 CECDLO Cc1ccoc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000742368939 575017372 /nfs/dbraw/zinc/01/73/72/575017372.db2.gz RURNXQDPZGXOBP-UHFFFAOYSA-N 1 2 262.265 2.492 20 10 CECDLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000775744006 628334880 /nfs/dbraw/zinc/33/48/80/628334880.db2.gz IUZGPEAUTYMTSY-QPUJVOFHSA-N 1 2 273.735 2.387 20 10 CECDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000775744006 628334882 /nfs/dbraw/zinc/33/48/82/628334882.db2.gz IUZGPEAUTYMTSY-QPUJVOFHSA-N 1 2 273.735 2.387 20 10 CECDLO O=C1CCC2=C(CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)N1 ZINC000895226087 630044779 /nfs/dbraw/zinc/04/47/79/630044779.db2.gz SXODUTQSNQDZIS-UHFFFAOYSA-N 1 2 294.301 2.040 20 10 CECDLO O=C1CCC2=C(CC[N@H+](Cc3cc(F)cc(F)c3O)C2)N1 ZINC000895226087 630044782 /nfs/dbraw/zinc/04/47/82/630044782.db2.gz SXODUTQSNQDZIS-UHFFFAOYSA-N 1 2 294.301 2.040 20 10 CECDLO Cc1cn(C(C)(C)C(=O)N(C)Cc2ccccc2O)c[nH+]1 ZINC000895755703 630332155 /nfs/dbraw/zinc/33/21/55/630332155.db2.gz MROJCMQUCBNXBS-UHFFFAOYSA-N 1 2 287.363 2.291 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781436 630349758 /nfs/dbraw/zinc/34/97/58/630349758.db2.gz SOEMYOMNEPVXJK-SUZMYJTESA-N 1 2 267.756 2.248 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781436 630349765 /nfs/dbraw/zinc/34/97/65/630349765.db2.gz SOEMYOMNEPVXJK-SUZMYJTESA-N 1 2 267.756 2.248 20 10 CECDLO C[C@H]([NH2+]Cc1nc(N(C)C)no1)c1ccc(N(C)C)cc1 ZINC000799166956 630990120 /nfs/dbraw/zinc/99/01/20/630990120.db2.gz REWDVLJKWMRCKW-NSHDSACASA-N 1 2 289.383 2.052 20 10 CECDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000800293752 631108008 /nfs/dbraw/zinc/10/80/08/631108008.db2.gz JUMZFTWVSPDHMB-UHFFFAOYSA-N 1 2 286.379 2.258 20 10 CECDLO CC[N@H+](CCC(=O)NC)Cc1cccc(Cl)c1O ZINC000897709615 631880664 /nfs/dbraw/zinc/88/06/64/631880664.db2.gz GYIPYECMINWBSF-UHFFFAOYSA-N 1 2 270.760 2.004 20 10 CECDLO CC[N@@H+](CCC(=O)NC)Cc1cccc(Cl)c1O ZINC000897709615 631880666 /nfs/dbraw/zinc/88/06/66/631880666.db2.gz GYIPYECMINWBSF-UHFFFAOYSA-N 1 2 270.760 2.004 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000898214561 632091302 /nfs/dbraw/zinc/09/13/02/632091302.db2.gz DGZYUDLUESDGPM-UHFFFAOYSA-N 1 2 277.755 2.478 20 10 CECDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)C1CC1 ZINC000809752982 632140978 /nfs/dbraw/zinc/14/09/78/632140978.db2.gz YPCNARFXRBFGFG-LBPRGKRZSA-N 1 2 273.735 2.387 20 10 CECDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)C1CC1 ZINC000809752982 632140982 /nfs/dbraw/zinc/14/09/82/632140982.db2.gz YPCNARFXRBFGFG-LBPRGKRZSA-N 1 2 273.735 2.387 20 10 CECDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]21 ZINC000814173032 632799581 /nfs/dbraw/zinc/79/95/81/632799581.db2.gz GWBCBIBZJFOLER-IAZYJMLFSA-N 1 2 299.729 2.036 20 10 CECDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]21 ZINC000814173032 632799588 /nfs/dbraw/zinc/79/95/88/632799588.db2.gz GWBCBIBZJFOLER-IAZYJMLFSA-N 1 2 299.729 2.036 20 10 CECDLO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816566939 633414319 /nfs/dbraw/zinc/41/43/19/633414319.db2.gz LYHINPJQSBQVSD-HTQZYQBOSA-N 1 2 261.724 2.434 20 10 CECDLO Oc1ccc(F)cc1C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000816665135 633459754 /nfs/dbraw/zinc/45/97/54/633459754.db2.gz UKFCHIHMAUDALS-UHFFFAOYSA-N 1 2 298.321 2.402 20 10 CECDLO CC1(C)C[N@H+](Cc2cccc(Cl)c2O)C[C@@H](CO)O1 ZINC000817413588 633652419 /nfs/dbraw/zinc/65/24/19/633652419.db2.gz ZVDXPDBQEDVMSM-NSHDSACASA-N 1 2 285.771 2.017 20 10 CECDLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H](CO)O1 ZINC000817413588 633652422 /nfs/dbraw/zinc/65/24/22/633652422.db2.gz ZVDXPDBQEDVMSM-NSHDSACASA-N 1 2 285.771 2.017 20 10 CECDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C1=CC(=O)CS1 ZINC000823310329 635134811 /nfs/dbraw/zinc/13/48/11/635134811.db2.gz BLSTZAGYBRFSPR-GFCCVEGCSA-N 1 2 293.392 2.495 20 10 CECDLO C[N@@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3O)C[C@@H]21 ZINC000824893502 635518758 /nfs/dbraw/zinc/51/87/58/635518758.db2.gz TYLIPJRMXAFAHI-MFKMUULPSA-N 1 2 266.772 2.182 20 10 CECDLO C[N@H+]1CC[C@@H]2CN(Cc3cccc(Cl)c3O)C[C@@H]21 ZINC000824893502 635518763 /nfs/dbraw/zinc/51/87/63/635518763.db2.gz TYLIPJRMXAFAHI-MFKMUULPSA-N 1 2 266.772 2.182 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000835084287 638054980 /nfs/dbraw/zinc/05/49/80/638054980.db2.gz LEPMHHUJBQMEBZ-PELKAZGASA-N 1 2 273.735 2.435 20 10 CECDLO COCC[N@@H+]1CCN(Cc2cccc(F)c2O)C(C)(C)C1 ZINC000846103719 641182116 /nfs/dbraw/zinc/18/21/16/641182116.db2.gz VZHHUGPFCONIDA-UHFFFAOYSA-N 1 2 296.386 2.074 20 10 CECDLO COCC[N@H+]1CCN(Cc2cccc(F)c2O)C(C)(C)C1 ZINC000846103719 641182120 /nfs/dbraw/zinc/18/21/20/641182120.db2.gz VZHHUGPFCONIDA-UHFFFAOYSA-N 1 2 296.386 2.074 20 10 CECDLO COCCN1CC[N@H+](Cc2cccc(F)c2O)C(C)(C)C1 ZINC000846103719 641182122 /nfs/dbraw/zinc/18/21/22/641182122.db2.gz VZHHUGPFCONIDA-UHFFFAOYSA-N 1 2 296.386 2.074 20 10 CECDLO COCCN1CC[N@@H+](Cc2cccc(F)c2O)C(C)(C)C1 ZINC000846103719 641182127 /nfs/dbraw/zinc/18/21/27/641182127.db2.gz VZHHUGPFCONIDA-UHFFFAOYSA-N 1 2 296.386 2.074 20 10 CECDLO COCC1=CC[N@H+](Cc2ccc(F)c(F)c2O)CC1 ZINC000877415516 650713128 /nfs/dbraw/zinc/71/31/28/650713128.db2.gz DYCJERGNLKIMBD-UHFFFAOYSA-N 1 2 269.291 2.449 20 10 CECDLO COCC1=CC[N@@H+](Cc2ccc(F)c(F)c2O)CC1 ZINC000877415516 650713130 /nfs/dbraw/zinc/71/31/30/650713130.db2.gz DYCJERGNLKIMBD-UHFFFAOYSA-N 1 2 269.291 2.449 20 10 CECDLO OCC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877434642 650719361 /nfs/dbraw/zinc/71/93/61/650719361.db2.gz IKOLJLJKPKOAAG-SNVBAGLBSA-N 1 2 257.280 2.017 20 10 CECDLO OCC[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877434642 650719363 /nfs/dbraw/zinc/71/93/63/650719363.db2.gz IKOLJLJKPKOAAG-SNVBAGLBSA-N 1 2 257.280 2.017 20 10 CECDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)c2ncnn21 ZINC000850351937 642677218 /nfs/dbraw/zinc/67/72/18/642677218.db2.gz KBILEQHKKGGHNQ-GXFFZTMASA-N 1 2 289.358 2.279 20 10 CECDLO Cc1noc(C2C[NH+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000839130229 644167917 /nfs/dbraw/zinc/16/79/17/644167917.db2.gz AIDRNLFSIBMEQJ-UHFFFAOYSA-N 1 2 297.717 2.476 20 10 CECDLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccnn1C ZINC000877761329 650900853 /nfs/dbraw/zinc/90/08/53/650900853.db2.gz FNLSRCUDCWNBMH-MRVPVSSYSA-N 1 2 267.279 2.255 20 10 CECDLO CC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756554959 644664496 /nfs/dbraw/zinc/66/44/96/644664496.db2.gz QPNKKMQQHMAKLE-OQPBUACISA-N 1 2 259.296 2.482 20 10 CECDLO CC(C)[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756642308 644677942 /nfs/dbraw/zinc/67/79/42/644677942.db2.gz MMIBKTMCRZEVPG-PRHODGIISA-N 1 2 259.296 2.338 20 10 CECDLO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(F)cc(F)c1O ZINC000756707235 644684208 /nfs/dbraw/zinc/68/42/08/644684208.db2.gz XCEWXJJLMOJHBC-FKTRJACZSA-N 1 2 298.333 2.365 20 10 CECDLO C[C@H]([NH2+][C@H](CO)CC1CC1)c1cc(F)cc(F)c1O ZINC000756768350 644690512 /nfs/dbraw/zinc/69/05/12/644690512.db2.gz CZSJFVBBQRGMGH-KWQFWETISA-N 1 2 271.307 2.482 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000857877000 644994063 /nfs/dbraw/zinc/99/40/63/644994063.db2.gz KUUQJRFHYJCHTF-UHFFFAOYSA-N 1 2 263.728 2.327 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCc2n[nH]cc2C1 ZINC000857877000 644994069 /nfs/dbraw/zinc/99/40/69/644994069.db2.gz KUUQJRFHYJCHTF-UHFFFAOYSA-N 1 2 263.728 2.327 20 10 CECDLO CCc1noc(C[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000775369325 646946625 /nfs/dbraw/zinc/94/66/25/646946625.db2.gz OCJREDWTVZIKTF-SECBINFHSA-N 1 2 277.324 2.197 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000775638523 646975052 /nfs/dbraw/zinc/97/50/52/646975052.db2.gz JNVRLOSADIINSY-JTQLQIEISA-N 1 2 259.708 2.141 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000775638523 646975054 /nfs/dbraw/zinc/97/50/54/646975054.db2.gz JNVRLOSADIINSY-JTQLQIEISA-N 1 2 259.708 2.141 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000779192976 647296584 /nfs/dbraw/zinc/29/65/84/647296584.db2.gz RIQHPPHZSRGXBC-LLVKDONJSA-N 1 2 295.745 2.486 20 10 CECDLO CCN(CC)c1ccc(C[NH+]2CC(OCCOC)C2)cc1 ZINC000779431853 647323574 /nfs/dbraw/zinc/32/35/74/647323574.db2.gz FXKKEQJUIJEXNJ-UHFFFAOYSA-N 1 2 292.423 2.380 20 10 CECDLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccccc1O ZINC000783524552 647724975 /nfs/dbraw/zinc/72/49/75/647724975.db2.gz OTVNCONICZMHTG-GFCCVEGCSA-N 1 2 287.363 2.389 20 10 CECDLO CC[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cccc(Cl)c1O ZINC000866497480 647807186 /nfs/dbraw/zinc/80/71/86/647807186.db2.gz MRKSBHQDDMEOPJ-YNEHKIRRSA-N 1 2 285.771 2.236 20 10 CECDLO [NH3+][C@H]1CCCCCN(Cc2cccc(F)c2O)C1 ZINC000873214199 649592513 /nfs/dbraw/zinc/59/25/13/649592513.db2.gz AWPALXCKTRBPJM-LBPRGKRZSA-N 1 2 252.333 2.235 20 10 CECDLO CCOC(=O)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000128565371 651486937 /nfs/dbraw/zinc/48/69/37/651486937.db2.gz LCHWXTNAMQNVMF-UHFFFAOYSA-N 1 2 257.717 2.041 20 10 CECDLO CCOC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000128565371 651486942 /nfs/dbraw/zinc/48/69/42/651486942.db2.gz LCHWXTNAMQNVMF-UHFFFAOYSA-N 1 2 257.717 2.041 20 10 CECDLO CC[C@@H](O)CC[NH2+]Cc1cccc(Br)c1O ZINC000131682019 652451850 /nfs/dbraw/zinc/45/18/50/652451850.db2.gz IGUGLUBSQFZVOJ-SNVBAGLBSA-N 1 2 288.185 2.405 20 10 CECDLO Cc1cc(C)c(CNC(=O)NCc2ccc(N)cc2)c[nH+]1 ZINC001120626204 815247977 /nfs/dbraw/zinc/24/79/77/815247977.db2.gz NXERJVPTHOTNQE-UHFFFAOYSA-N 1 2 284.363 2.280 20 10 CECDLO CCN(CC)C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708517717 809943988 /nfs/dbraw/zinc/94/39/88/809943988.db2.gz SFZPJLAGNGWXJZ-SNVBAGLBSA-N 1 2 272.339 2.490 20 10 CECDLO COc1cc(Cl)cc(C[NH2+][C@H](C)c2ncn(C)n2)c1O ZINC000391936634 813292512 /nfs/dbraw/zinc/29/25/12/813292512.db2.gz QYLQOWSRIQHRKV-MRVPVSSYSA-N 1 2 296.758 2.034 20 10 CECDLO CCc1nnc(C[NH2+]Cc2cc(Cl)ccc2O)[nH]1 ZINC000392361095 813301984 /nfs/dbraw/zinc/30/19/84/813301984.db2.gz XVXCUCGTVJGYLT-UHFFFAOYSA-N 1 2 266.732 2.016 20 10 CECDLO Cc1nnc([C@@H](C)[NH2+]Cc2c(O)cccc2Cl)[nH]1 ZINC000392455909 813304125 /nfs/dbraw/zinc/30/41/25/813304125.db2.gz JATIDGNHJOTHGO-SSDOTTSWSA-N 1 2 266.732 2.323 20 10 CECDLO C[C@H]1CC[N@H+](Cc2c(O)cccc2F)CCC1=O ZINC001137832976 815692367 /nfs/dbraw/zinc/69/23/67/815692367.db2.gz OIZCUQYNXLVCMP-JTQLQIEISA-N 1 2 251.301 2.332 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2c(O)cccc2F)CCC1=O ZINC001137832976 815692374 /nfs/dbraw/zinc/69/23/74/815692374.db2.gz OIZCUQYNXLVCMP-JTQLQIEISA-N 1 2 251.301 2.332 20 10 CECDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cccc(F)c1O ZINC001138131295 815736389 /nfs/dbraw/zinc/73/63/89/815736389.db2.gz VEEVCJGPLVKKGJ-CDMKHQONSA-N 1 2 279.311 2.057 20 10 CECDLO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1Cc1cccc(F)c1O ZINC001138131295 815736397 /nfs/dbraw/zinc/73/63/97/815736397.db2.gz VEEVCJGPLVKKGJ-CDMKHQONSA-N 1 2 279.311 2.057 20 10 CECDLO CC(=O)[C@@H]1C[N@H+](Cc2c(C)n(C)c3ccccc23)CCO1 ZINC001138259769 815756459 /nfs/dbraw/zinc/75/64/59/815756459.db2.gz NQUFHJGWYJIDBB-KRWDZBQOSA-N 1 2 286.375 2.277 20 10 CECDLO CC(=O)[C@@H]1C[N@@H+](Cc2c(C)n(C)c3ccccc23)CCO1 ZINC001138259769 815756465 /nfs/dbraw/zinc/75/64/65/815756465.db2.gz NQUFHJGWYJIDBB-KRWDZBQOSA-N 1 2 286.375 2.277 20 10 CECDLO Cc1ccc(C)c(C[N@@H+]2Cc3cncnc3C2)c1O ZINC001140178296 816204932 /nfs/dbraw/zinc/20/49/32/816204932.db2.gz HGKIIGCNJFXULC-UHFFFAOYSA-N 1 2 255.321 2.315 20 10 CECDLO Cc1ccc(C)c(C[N@H+]2Cc3cncnc3C2)c1O ZINC001140178296 816204936 /nfs/dbraw/zinc/20/49/36/816204936.db2.gz HGKIIGCNJFXULC-UHFFFAOYSA-N 1 2 255.321 2.315 20 10 CECDLO COC(=O)CC1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140581668 816290860 /nfs/dbraw/zinc/29/08/60/816290860.db2.gz WTKYSROVMPNVIY-UHFFFAOYSA-N 1 2 299.317 2.446 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3cnco3)CC2)c(C)c1 ZINC001140933345 816415836 /nfs/dbraw/zinc/41/58/36/816415836.db2.gz SZJUHNOZJUSIMK-UHFFFAOYSA-N 1 2 287.363 2.314 20 10 CECDLO c1c(C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001141077852 816471662 /nfs/dbraw/zinc/47/16/62/816471662.db2.gz CKELBMLKOAFBNR-DLBZAZTESA-N 1 2 284.403 2.359 20 10 CECDLO c1c(C[N@H+]2CCO[C@@H]3C[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001141077852 816471670 /nfs/dbraw/zinc/47/16/70/816471670.db2.gz CKELBMLKOAFBNR-DLBZAZTESA-N 1 2 284.403 2.359 20 10 CECDLO c1c(C[NH+]2CC3(CCO3)C2)cc2c3c1CCCN3CCC2 ZINC001141076434 816471737 /nfs/dbraw/zinc/47/17/37/816471737.db2.gz RMDPMOWLHZPPOG-UHFFFAOYSA-N 1 2 284.403 2.360 20 10 CECDLO C[C@@H]1C[NH+](Cc2cc(F)c(F)cc2O)C[C@@H](C)O1 ZINC001142502033 816675104 /nfs/dbraw/zinc/67/51/04/816675104.db2.gz GXQGBTJUWUXPKZ-RKDXNWHRSA-N 1 2 257.280 2.280 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCCC12COC2 ZINC001142525029 816681587 /nfs/dbraw/zinc/68/15/87/816681587.db2.gz UKUIHABEPXNXFQ-UHFFFAOYSA-N 1 2 255.264 2.035 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1CCCC12COC2 ZINC001142525029 816681591 /nfs/dbraw/zinc/68/15/91/816681591.db2.gz UKUIHABEPXNXFQ-UHFFFAOYSA-N 1 2 255.264 2.035 20 10 CECDLO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(F)c(F)c1O ZINC000187744902 299322931 /nfs/dbraw/zinc/32/29/31/299322931.db2.gz QJKVNZLEHFXMHY-ISVAXAHUSA-N 1 2 289.347 2.189 20 10 CECDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc(F)c1O ZINC000083513815 363777216 /nfs/dbraw/zinc/77/72/16/363777216.db2.gz HSKIRHLPWOHTDC-LBPRGKRZSA-N 1 2 269.316 2.209 20 10 CECDLO CC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc(Cl)c1O ZINC000287277821 376192757 /nfs/dbraw/zinc/19/27/57/376192757.db2.gz BHZBZNGUVSUQDP-JSGCOSHPSA-N 1 2 285.771 2.238 20 10 CECDLO C[C@@H]([NH2+]CCO)c1ccc(Cl)c(Cl)c1O ZINC000134911012 296125923 /nfs/dbraw/zinc/12/59/23/296125923.db2.gz MDRUCCCGAKLEOV-ZCFIWIBFSA-N 1 2 250.125 2.342 20 10 CECDLO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187729679 369212711 /nfs/dbraw/zinc/21/27/11/369212711.db2.gz ZMQKZBJDJIYUDF-VAOFZXAKSA-N 1 2 291.363 2.433 20 10 CECDLO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(F)c(F)c1O ZINC000187744918 369214944 /nfs/dbraw/zinc/21/49/44/369214944.db2.gz QJKVNZLEHFXMHY-AMIZOPFISA-N 1 2 289.347 2.189 20 10 CECDLO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2O)C1=O ZINC000187784450 369221008 /nfs/dbraw/zinc/22/10/08/369221008.db2.gz VREDKPUJCTVFGL-BXKDBHETSA-N 1 2 298.333 2.330 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1 ZINC000271192910 373172716 /nfs/dbraw/zinc/17/27/16/373172716.db2.gz MLPKOTCCMZCGIQ-ZBUHCNDUSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(O)c(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c1 ZINC000271192910 373172719 /nfs/dbraw/zinc/17/27/19/373172719.db2.gz MLPKOTCCMZCGIQ-ZBUHCNDUSA-N 1 2 297.420 2.132 20 10 CECDLO Cc1nnc(CC[NH2+][C@H](C)c2cc(Cl)ccc2O)[nH]1 ZINC000273499058 373760138 /nfs/dbraw/zinc/76/01/38/373760138.db2.gz YKGORZBAHYYAPQ-MRVPVSSYSA-N 1 2 280.759 2.365 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cc([N+](=O)[O-])ccc1O ZINC000273531995 373761957 /nfs/dbraw/zinc/76/19/57/373761957.db2.gz WMIBIIURXLJGQY-DTWKUNHWSA-N 1 2 276.296 2.435 20 10 CECDLO Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)n(C)n1 ZINC000284281517 375826058 /nfs/dbraw/zinc/82/60/58/375826058.db2.gz JUWOBELYKLAJHC-JTQLQIEISA-N 1 2 290.323 2.193 20 10 CECDLO CC[C@@H]([NH2+]CCCOCCO)c1cccc(Cl)c1O ZINC000287633240 376280324 /nfs/dbraw/zinc/28/03/24/376280324.db2.gz KMNRXQGGDOVUBW-CYBMUJFWSA-N 1 2 287.787 2.485 20 10 CECDLO CC[C@@H]([NH2+]CC1(CO)COC1)c1cccc(Cl)c1O ZINC000287725009 376301466 /nfs/dbraw/zinc/30/14/66/376301466.db2.gz OUALMVRFYZLNPD-GFCCVEGCSA-N 1 2 285.771 2.095 20 10 CECDLO C[C@@H]1COCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000294792430 378019802 /nfs/dbraw/zinc/01/98/02/378019802.db2.gz VHQJSNNZMNWJIC-MRVPVSSYSA-N 1 2 259.708 2.405 20 10 CECDLO C[C@@H]1COCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000294792430 378019806 /nfs/dbraw/zinc/01/98/06/378019806.db2.gz VHQJSNNZMNWJIC-MRVPVSSYSA-N 1 2 259.708 2.405 20 10 CECDLO CN1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc21 ZINC000493070237 380786339 /nfs/dbraw/zinc/78/63/39/380786339.db2.gz KXTHLNVPUSXERD-FPLPWBNLSA-N 1 2 282.347 2.296 20 10 CECDLO O=C1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@H](C2CC2)N1 ZINC000366927366 296325432 /nfs/dbraw/zinc/32/54/32/296325432.db2.gz XUSIQILHSHKOEB-OCCSQVGLSA-N 1 2 294.782 2.192 20 10 CECDLO COc1ccc(N(C)Cc2[nH+]ccn2C)c(OC)c1 ZINC000131591400 394915185 /nfs/dbraw/zinc/91/51/85/394915185.db2.gz QZMMIOIWSXBTHA-UHFFFAOYSA-N 1 2 261.325 2.074 20 10 CECDLO CCOc1cccc(C[N@@H+]2CCc3c(ncn3C)C2)c1O ZINC000376202758 395113600 /nfs/dbraw/zinc/11/36/00/395113600.db2.gz FEYSQKVJISKSGH-UHFFFAOYSA-N 1 2 287.363 2.083 20 10 CECDLO CCOc1cccc(C[N@H+]2CCc3c(ncn3C)C2)c1O ZINC000376202758 395113602 /nfs/dbraw/zinc/11/36/02/395113602.db2.gz FEYSQKVJISKSGH-UHFFFAOYSA-N 1 2 287.363 2.083 20 10 CECDLO CCOc1cccc(CN2CCc3c([nH+]cn3C)C2)c1O ZINC000376202758 395113604 /nfs/dbraw/zinc/11/36/04/395113604.db2.gz FEYSQKVJISKSGH-UHFFFAOYSA-N 1 2 287.363 2.083 20 10 CECDLO CCC[C@@](C)([NH2+]Cc1ccccc1O)C(=O)OC ZINC000184047313 262006173 /nfs/dbraw/zinc/00/61/73/262006173.db2.gz YGWILXRFXOJXCL-CQSZACIVSA-N 1 2 251.326 2.214 20 10 CECDLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccc(F)cc2O1 ZINC000493502158 262178877 /nfs/dbraw/zinc/17/88/77/262178877.db2.gz XKKXAMKUTDSZRZ-GFAPAMAISA-N 1 2 287.294 2.376 20 10 CECDLO COc1ccc([NH+]2CCC(N(C)C(=O)N(C)C)CC2)cc1 ZINC000368866441 267209612 /nfs/dbraw/zinc/20/96/12/267209612.db2.gz NXFCWWDOGNWDGF-UHFFFAOYSA-N 1 2 291.395 2.277 20 10 CECDLO O=C1NCC[N@@H+](Cc2ccccc2O)[C@H]1c1ccccc1 ZINC000179565358 329209900 /nfs/dbraw/zinc/20/99/00/329209900.db2.gz MRWGIRNOXRCLPU-INIZCTEOSA-N 1 2 282.343 2.065 20 10 CECDLO O=C1NCC[N@H+](Cc2ccccc2O)[C@H]1c1ccccc1 ZINC000179565358 329209901 /nfs/dbraw/zinc/20/99/01/329209901.db2.gz MRWGIRNOXRCLPU-INIZCTEOSA-N 1 2 282.343 2.065 20 10 CECDLO CC[C@@H]([NH2+]Cc1cnn(CC)n1)c1ccc(F)cc1O ZINC000527924489 330296425 /nfs/dbraw/zinc/29/64/25/330296425.db2.gz PUJBKMNMDXHMCK-CYBMUJFWSA-N 1 2 278.331 2.384 20 10 CECDLO CCc1cc(NCc2cc(OC)ccc2O)nc[nH+]1 ZINC000733995013 574696761 /nfs/dbraw/zinc/69/67/61/574696761.db2.gz VSJBBTUYZROUPT-UHFFFAOYSA-N 1 2 259.309 2.365 20 10 CECDLO CC(C)(C[NH+]1CCCC1)NCc1cc(F)ccc1O ZINC000308627786 623902844 /nfs/dbraw/zinc/90/28/44/623902844.db2.gz JDRPSJKMZDIXCS-UHFFFAOYSA-N 1 2 266.360 2.495 20 10 CECDLO COc1ccc(C[N@H+](C)Cc2nccs2)c(O)c1OC ZINC000892095987 624314692 /nfs/dbraw/zinc/31/46/92/624314692.db2.gz QNDOSFLITSCYHS-UHFFFAOYSA-N 1 2 294.376 2.498 20 10 CECDLO COc1ccc(C[N@@H+](C)Cc2nccs2)c(O)c1OC ZINC000892095987 624314695 /nfs/dbraw/zinc/31/46/95/624314695.db2.gz QNDOSFLITSCYHS-UHFFFAOYSA-N 1 2 294.376 2.498 20 10 CECDLO CCOC(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000158387171 624537101 /nfs/dbraw/zinc/53/71/01/624537101.db2.gz UVOIOERYTHFHTO-UHFFFAOYSA-N 1 2 298.770 2.320 20 10 CECDLO CCC(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893967146 629067178 /nfs/dbraw/zinc/06/71/78/629067178.db2.gz JFPCGKHFGGTTJI-UHFFFAOYSA-N 1 2 298.333 2.115 20 10 CECDLO CCC(=O)N1CCC[N@@H+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893967146 629067182 /nfs/dbraw/zinc/06/71/82/629067182.db2.gz JFPCGKHFGGTTJI-UHFFFAOYSA-N 1 2 298.333 2.115 20 10 CECDLO Cc1nc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)n[nH]1 ZINC000895007514 629799249 /nfs/dbraw/zinc/79/92/49/629799249.db2.gz JTALZXLTVCZJIB-JTQLQIEISA-N 1 2 292.770 2.462 20 10 CECDLO Cc1nc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)n[nH]1 ZINC000895007514 629799251 /nfs/dbraw/zinc/79/92/51/629799251.db2.gz JTALZXLTVCZJIB-JTQLQIEISA-N 1 2 292.770 2.462 20 10 CECDLO COCC1C[NH+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000895970084 630423583 /nfs/dbraw/zinc/42/35/83/630423583.db2.gz BUJOHAHJJFJUAP-UHFFFAOYSA-N 1 2 259.708 2.263 20 10 CECDLO CC[N@H+](CCOCCO)Cc1cc(Cl)cc(F)c1O ZINC000800531266 631133243 /nfs/dbraw/zinc/13/32/43/631133243.db2.gz AOHYBARGMVZKLM-UHFFFAOYSA-N 1 2 291.750 2.016 20 10 CECDLO CC[N@@H+](CCOCCO)Cc1cc(Cl)cc(F)c1O ZINC000800531266 631133245 /nfs/dbraw/zinc/13/32/45/631133245.db2.gz AOHYBARGMVZKLM-UHFFFAOYSA-N 1 2 291.750 2.016 20 10 CECDLO COc1cccc(O)c1C[NH2+]Cc1nccc(C(F)F)n1 ZINC000808435536 631962730 /nfs/dbraw/zinc/96/27/30/631962730.db2.gz ONQSPKWBFMGHPE-UHFFFAOYSA-N 1 2 295.289 2.418 20 10 CECDLO COc1cc(C)cc(C[NH2+]C2(c3nc(C)no3)CC2)c1O ZINC000897896217 631965560 /nfs/dbraw/zinc/96/55/60/631965560.db2.gz RZVLAFNGNTVVBG-UHFFFAOYSA-N 1 2 289.335 2.180 20 10 CECDLO C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841059355 632361386 /nfs/dbraw/zinc/36/13/86/632361386.db2.gz QECAYFCMCGQIMS-KCJUWKMLSA-N 1 2 299.758 2.041 20 10 CECDLO CC(F)(F)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000815146927 632971472 /nfs/dbraw/zinc/97/14/72/632971472.db2.gz MHEARYPIOYVKJF-UHFFFAOYSA-N 1 2 288.313 2.407 20 10 CECDLO CN1CC2(C[NH+](Cc3ccc4ccccc4c3O)C2)OC1=O ZINC000817414336 633653468 /nfs/dbraw/zinc/65/34/68/633653468.db2.gz HOEMINGQIIFUNU-UHFFFAOYSA-N 1 2 298.342 2.182 20 10 CECDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900399211 633700956 /nfs/dbraw/zinc/70/09/56/633700956.db2.gz BGPHNPUELHKSIV-UHFFFAOYSA-N 1 2 286.379 2.067 20 10 CECDLO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817984678 633826654 /nfs/dbraw/zinc/82/66/54/633826654.db2.gz XHCDINJMQCJRCB-KOLCDFICSA-N 1 2 270.323 2.463 20 10 CECDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824895121 635518864 /nfs/dbraw/zinc/51/88/64/635518864.db2.gz QRYKZVNFVHVMKR-CYBMUJFWSA-N 1 2 296.798 2.455 20 10 CECDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824895121 635518869 /nfs/dbraw/zinc/51/88/69/635518869.db2.gz QRYKZVNFVHVMKR-CYBMUJFWSA-N 1 2 296.798 2.455 20 10 CECDLO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N(C)C ZINC000824988592 635535890 /nfs/dbraw/zinc/53/58/90/635535890.db2.gz OPOQLNBULSIRFP-QMMMGPOBSA-N 1 2 260.740 2.224 20 10 CECDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000827001039 636185639 /nfs/dbraw/zinc/18/56/39/636185639.db2.gz RONFDGVBVZTHRF-LLVKDONJSA-N 1 2 296.754 2.072 20 10 CECDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000827001039 636185643 /nfs/dbraw/zinc/18/56/43/636185643.db2.gz RONFDGVBVZTHRF-LLVKDONJSA-N 1 2 296.754 2.072 20 10 CECDLO C[C@H]1C[NH+](Cc2cccc(Cl)c2O)C[C@H](C)C1O ZINC000827152314 636239085 /nfs/dbraw/zinc/23/90/85/636239085.db2.gz RILLRJDKYKSACO-UWVGGRQHSA-N 1 2 269.772 2.494 20 10 CECDLO C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1O ZINC000827930816 636462838 /nfs/dbraw/zinc/46/28/38/636462838.db2.gz ROAWMATUVGUJDC-NEPJUHHUSA-N 1 2 285.347 2.029 20 10 CECDLO CCCn1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)nn1 ZINC000876511257 650296973 /nfs/dbraw/zinc/29/69/73/650296973.db2.gz CHAXEQHJCUIWPU-UHFFFAOYSA-N 1 2 287.411 2.386 20 10 CECDLO CCCn1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)nn1 ZINC000876511257 650296976 /nfs/dbraw/zinc/29/69/76/650296976.db2.gz CHAXEQHJCUIWPU-UHFFFAOYSA-N 1 2 287.411 2.386 20 10 CECDLO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876555692 650323976 /nfs/dbraw/zinc/32/39/76/650323976.db2.gz DCONNEKUYVXDDE-JTQLQIEISA-N 1 2 285.290 2.055 20 10 CECDLO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876555692 650323977 /nfs/dbraw/zinc/32/39/77/650323977.db2.gz DCONNEKUYVXDDE-JTQLQIEISA-N 1 2 285.290 2.055 20 10 CECDLO CN(CCO)c1ccc(N[C@@H]2CCc3cccc(O)c32)[nH+]c1 ZINC000834729611 637930608 /nfs/dbraw/zinc/93/06/08/637930608.db2.gz IJRBQCGZMCUPFT-CQSZACIVSA-N 1 2 299.374 2.315 20 10 CECDLO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC ZINC000835024884 638029099 /nfs/dbraw/zinc/02/90/99/638029099.db2.gz AKMCOABEFYVPTB-VOTSOKGWSA-N 1 2 276.380 2.261 20 10 CECDLO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC ZINC000835024884 638029105 /nfs/dbraw/zinc/02/91/05/638029105.db2.gz AKMCOABEFYVPTB-VOTSOKGWSA-N 1 2 276.380 2.261 20 10 CECDLO CC[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cccc(Cl)c1O ZINC000840837735 639558143 /nfs/dbraw/zinc/55/81/43/639558143.db2.gz LVJWCRFCYQTDBU-BXKDBHETSA-N 1 2 282.771 2.222 20 10 CECDLO Cc1cc(O)c(C[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000840907348 639581120 /nfs/dbraw/zinc/58/11/20/639581120.db2.gz CZKXVIXGIQKJFY-UHFFFAOYSA-N 1 2 254.761 2.101 20 10 CECDLO O=C1CC2(CN1)CC[NH+](Cc1cccc(Cl)c1O)CC2 ZINC000271743109 640762580 /nfs/dbraw/zinc/76/25/80/640762580.db2.gz AIXOQZYMTNJTTA-UHFFFAOYSA-N 1 2 294.782 2.148 20 10 CECDLO CC(C)[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1nncn1C ZINC000877514760 650759645 /nfs/dbraw/zinc/75/96/45/650759645.db2.gz PXGNXXRFVGOTME-LBPRGKRZSA-N 1 2 296.321 2.286 20 10 CECDLO CC(C)C1(O)C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000839132945 644169438 /nfs/dbraw/zinc/16/94/38/644169438.db2.gz NUEVEOMNJNGZQB-UHFFFAOYSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)CCCO)c1cc(F)cc(F)c1O ZINC000756648726 644679146 /nfs/dbraw/zinc/67/91/46/644679146.db2.gz YZVBRNKYNGMEKS-DTWKUNHWSA-N 1 2 259.296 2.482 20 10 CECDLO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)cc(F)c1O ZINC000756735936 644688476 /nfs/dbraw/zinc/68/84/76/644688476.db2.gz JHKXQDRYNJWPEL-PSASIEDQSA-N 1 2 296.317 2.084 20 10 CECDLO C[C@H]([NH2+][C@H](CCO)C1CC1)c1cc(F)cc(F)c1O ZINC000756739385 644688547 /nfs/dbraw/zinc/68/85/47/644688547.db2.gz MUAOXPLCMGQPJT-ISVAXAHUSA-N 1 2 271.307 2.482 20 10 CECDLO C[NH2+]C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843049354 644751549 /nfs/dbraw/zinc/75/15/49/644751549.db2.gz LISSRUBKSHXUBX-UHFFFAOYSA-N 1 2 299.758 2.138 20 10 CECDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)[nH]1 ZINC000839661337 644766896 /nfs/dbraw/zinc/76/68/96/644766896.db2.gz MUSZAKZTLPFNSA-OAHLLOKOSA-N 1 2 299.422 2.477 20 10 CECDLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)[nH]1 ZINC000839661337 644766900 /nfs/dbraw/zinc/76/69/00/644766900.db2.gz MUSZAKZTLPFNSA-OAHLLOKOSA-N 1 2 299.422 2.477 20 10 CECDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000839661337 644766904 /nfs/dbraw/zinc/76/69/04/644766904.db2.gz MUSZAKZTLPFNSA-OAHLLOKOSA-N 1 2 299.422 2.477 20 10 CECDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000839661337 644766907 /nfs/dbraw/zinc/76/69/07/644766907.db2.gz MUSZAKZTLPFNSA-OAHLLOKOSA-N 1 2 299.422 2.477 20 10 CECDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n[nH]1 ZINC000839661337 644766909 /nfs/dbraw/zinc/76/69/09/644766909.db2.gz MUSZAKZTLPFNSA-OAHLLOKOSA-N 1 2 299.422 2.477 20 10 CECDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n[nH]1 ZINC000839661337 644766914 /nfs/dbraw/zinc/76/69/14/644766914.db2.gz MUSZAKZTLPFNSA-OAHLLOKOSA-N 1 2 299.422 2.477 20 10 CECDLO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C1=CC(=O)CS1 ZINC000839785347 644816878 /nfs/dbraw/zinc/81/68/78/644816878.db2.gz FPPQCWIIODMIKQ-SNVBAGLBSA-N 1 2 268.382 2.010 20 10 CECDLO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C1=CC(=O)CS1 ZINC000839785347 644816884 /nfs/dbraw/zinc/81/68/84/644816884.db2.gz FPPQCWIIODMIKQ-SNVBAGLBSA-N 1 2 268.382 2.010 20 10 CECDLO CC[C@@H](C)[NH+]1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000839786067 644817447 /nfs/dbraw/zinc/81/74/47/644817447.db2.gz BENZDKIDVIBOCX-SNVBAGLBSA-N 1 2 268.382 2.010 20 10 CECDLO CCOC(=O)C[N@H+](CC)Cc1ccc(OCC)cc1O ZINC000769004494 646191197 /nfs/dbraw/zinc/19/11/97/646191197.db2.gz ILFMKVKXJDMQBT-UHFFFAOYSA-N 1 2 281.352 2.176 20 10 CECDLO CCOC(=O)C[N@@H+](CC)Cc1ccc(OCC)cc1O ZINC000769004494 646191202 /nfs/dbraw/zinc/19/12/02/646191202.db2.gz ILFMKVKXJDMQBT-UHFFFAOYSA-N 1 2 281.352 2.176 20 10 CECDLO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1O ZINC000863546637 646753814 /nfs/dbraw/zinc/75/38/14/646753814.db2.gz MBVUPWOYGJDFRM-JFGNBEQYSA-N 1 2 252.333 2.322 20 10 CECDLO C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000863546645 646753993 /nfs/dbraw/zinc/75/39/93/646753993.db2.gz MFHWZEHNOQRTKA-MXWKQRLJSA-N 1 2 279.340 2.092 20 10 CECDLO CCN(C)c1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1 ZINC000773756760 646773138 /nfs/dbraw/zinc/77/31/38/646773138.db2.gz ZLIJHKILJRYDPR-JZKQVHKSSA-N 1 2 294.464 2.484 20 10 CECDLO CCN(C)c1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)cc1 ZINC000773756760 646773146 /nfs/dbraw/zinc/77/31/46/646773146.db2.gz ZLIJHKILJRYDPR-JZKQVHKSSA-N 1 2 294.464 2.484 20 10 CECDLO CCN(C)c1ccc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)cc1 ZINC000773887632 646784831 /nfs/dbraw/zinc/78/48/31/646784831.db2.gz GFZFLPFDHYJZJE-ZIAGYGMSSA-N 1 2 294.464 2.484 20 10 CECDLO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2O)C1=O ZINC000864050581 646871473 /nfs/dbraw/zinc/87/14/73/646871473.db2.gz KXIHVVBDTFBJFF-NSHDSACASA-N 1 2 298.333 2.159 20 10 CECDLO CC[C@@H]([NH2+]Cc1ncn(C)n1)c1cc(Cl)ccc1O ZINC000775526579 646962563 /nfs/dbraw/zinc/96/25/63/646962563.db2.gz SFVUMUDOPATPNR-LLVKDONJSA-N 1 2 280.759 2.415 20 10 CECDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000776251978 647042847 /nfs/dbraw/zinc/04/28/47/647042847.db2.gz GFOGXGKWVBTWTB-PWSUYJOCSA-N 1 2 282.771 2.050 20 10 CECDLO C[C@H](O)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000788606717 648207071 /nfs/dbraw/zinc/20/70/71/648207071.db2.gz XOFITZHPJKYWDZ-IUCAKERBSA-N 1 2 259.296 2.482 20 10 CECDLO Cc1noc([C@H](C)[NH2+]Cc2cc(F)ccc2O)n1 ZINC000792177101 648619559 /nfs/dbraw/zinc/61/95/59/648619559.db2.gz RXFXBRREXPVTKZ-ZETCQYMHSA-N 1 2 251.261 2.074 20 10 CECDLO CCn1ncnc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000793346387 648745142 /nfs/dbraw/zinc/74/51/42/648745142.db2.gz NFPKOBUEHUPKRF-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO O=C(Cc1cn2c([nH+]1)CCCC2)N1Cc2cccc(O)c2C1 ZINC000871205521 649032388 /nfs/dbraw/zinc/03/23/88/649032388.db2.gz GJOLXNALWADZGU-UHFFFAOYSA-N 1 2 297.358 2.010 20 10 CECDLO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000873860250 649727091 /nfs/dbraw/zinc/72/70/91/649727091.db2.gz GGGXEEASNCJYRT-HUUCEWRRSA-N 1 2 298.390 2.238 20 10 CECDLO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000873860250 649727094 /nfs/dbraw/zinc/72/70/94/649727094.db2.gz GGGXEEASNCJYRT-HUUCEWRRSA-N 1 2 298.390 2.238 20 10 CECDLO CC[C@H](C)NC(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000124715042 649727376 /nfs/dbraw/zinc/72/73/76/649727376.db2.gz VOXULECYIASFFO-JTQLQIEISA-N 1 2 284.787 2.440 20 10 CECDLO CN(C)c1cccnc1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883122516 652368658 /nfs/dbraw/zinc/36/86/58/652368658.db2.gz QNWISRIYWMZHFU-UHFFFAOYSA-N 1 2 293.317 2.421 20 10 CECDLO Cc1cn(C(C)(C)C(=O)Nc2ccc(N)cc2)c[nH+]1 ZINC000884008970 652629957 /nfs/dbraw/zinc/62/99/57/652629957.db2.gz HMVICCYJOCTQSN-UHFFFAOYSA-N 1 2 258.325 2.148 20 10 CECDLO C[C@H]([NH2+]CCO)c1cc(Br)cc(Cl)c1O ZINC000134911135 652887140 /nfs/dbraw/zinc/88/71/40/652887140.db2.gz VFPRFTVLSLWCJS-LURJTMIESA-N 1 2 294.576 2.451 20 10 CECDLO Oc1cc(Cl)ccc1C[NH+]1CCN(C2CC2)CC1 ZINC001140461200 802934141 /nfs/dbraw/zinc/93/41/41/802934141.db2.gz GZKGYPINWXXHOB-UHFFFAOYSA-N 1 2 266.772 2.326 20 10 CECDLO CC(=O)N(C)C1CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140584631 803185747 /nfs/dbraw/zinc/18/57/47/803185747.db2.gz ZVDLOYWIGINYHM-UHFFFAOYSA-N 1 2 298.333 2.113 20 10 CECDLO Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CCOC1 ZINC000715718419 814987601 /nfs/dbraw/zinc/98/76/01/814987601.db2.gz MHLOTKBQZYWESK-VIFPVBQESA-N 1 2 290.132 2.172 20 10 CECDLO Cc1cc(C[NH2+]Cc2ccc(F)c(F)c2O)on1 ZINC000700767673 809351350 /nfs/dbraw/zinc/35/13/50/809351350.db2.gz UMVATWBXRAARBH-UHFFFAOYSA-N 1 2 254.236 2.257 20 10 CECDLO CN(C)C1(C[NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000708503147 809943712 /nfs/dbraw/zinc/94/37/12/809943712.db2.gz OKZTXPZEHNVUBJ-UHFFFAOYSA-N 1 2 270.323 2.244 20 10 CECDLO CC(=O)N1CC[C@H]([N@@H+](Cc2cccc(F)c2O)C(C)C)C1 ZINC001138129798 815733456 /nfs/dbraw/zinc/73/34/56/815733456.db2.gz WVPLBJNHDIUCGA-AWEZNQCLSA-N 1 2 294.370 2.363 20 10 CECDLO CC(=O)N1CC[C@H]([N@H+](Cc2cccc(F)c2O)C(C)C)C1 ZINC001138129798 815733458 /nfs/dbraw/zinc/73/34/58/815733458.db2.gz WVPLBJNHDIUCGA-AWEZNQCLSA-N 1 2 294.370 2.363 20 10 CECDLO CCOC(=O)C[N@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138253986 815754505 /nfs/dbraw/zinc/75/45/05/815754505.db2.gz MWLVQZVTMLKQMB-UHFFFAOYSA-N 1 2 274.364 2.482 20 10 CECDLO CCOC(=O)C[N@@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138253986 815754511 /nfs/dbraw/zinc/75/45/11/815754511.db2.gz MWLVQZVTMLKQMB-UHFFFAOYSA-N 1 2 274.364 2.482 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)C1CC1 ZINC001139126520 815964867 /nfs/dbraw/zinc/96/48/67/815964867.db2.gz INCNDONFCJEOFY-UHFFFAOYSA-N 1 2 259.305 2.401 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)C1CC1 ZINC001139126520 815964869 /nfs/dbraw/zinc/96/48/69/815964869.db2.gz INCNDONFCJEOFY-UHFFFAOYSA-N 1 2 259.305 2.401 20 10 CECDLO OC[C@@H]1C[C@H]2OCC[N@H+](Cc3c(O)cccc3Cl)[C@H]2C1 ZINC001140339793 816237720 /nfs/dbraw/zinc/23/77/20/816237720.db2.gz YKDYHIUEJJVANL-VZJVUDMVSA-N 1 2 297.782 2.017 20 10 CECDLO OC[C@@H]1C[C@H]2OCC[N@@H+](Cc3c(O)cccc3Cl)[C@H]2C1 ZINC001140339793 816237727 /nfs/dbraw/zinc/23/77/27/816237727.db2.gz YKDYHIUEJJVANL-VZJVUDMVSA-N 1 2 297.782 2.017 20 10 CECDLO CCOC(=O)CC[N@@H+](C)Cc1c(O)cc(F)cc1F ZINC001140583614 816292824 /nfs/dbraw/zinc/29/28/24/816292824.db2.gz NYRLROZZODMBTC-UHFFFAOYSA-N 1 2 273.279 2.055 20 10 CECDLO COC(=O)C[C@@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584176 816293397 /nfs/dbraw/zinc/29/33/97/816293397.db2.gz HBNKZQNDNCPMSL-JTQLQIEISA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)C[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140584176 816293399 /nfs/dbraw/zinc/29/33/99/816293399.db2.gz HBNKZQNDNCPMSL-JTQLQIEISA-N 1 2 299.317 2.446 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](F)C(=O)C2)c1 ZINC001140617308 816304771 /nfs/dbraw/zinc/30/47/71/816304771.db2.gz MAOHODJDJAJNFJ-GFCCVEGCSA-N 1 2 251.301 2.204 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](F)C(=O)C2)c1 ZINC001140617308 816304778 /nfs/dbraw/zinc/30/47/78/816304778.db2.gz MAOHODJDJAJNFJ-GFCCVEGCSA-N 1 2 251.301 2.204 20 10 CECDLO CCCCOC1C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141160162 816491920 /nfs/dbraw/zinc/49/19/20/816491920.db2.gz ROZGQMSMECJPBK-UHFFFAOYSA-N 1 2 251.326 2.099 20 10 CECDLO CC[C@H]1COCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142526922 816680104 /nfs/dbraw/zinc/68/01/04/816680104.db2.gz BVZRHMHORHTHKE-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO CC[C@H]1COCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142526922 816680110 /nfs/dbraw/zinc/68/01/10/816680110.db2.gz BVZRHMHORHTHKE-JTQLQIEISA-N 1 2 257.280 2.281 20 10 CECDLO CC[NH+]1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000124502426 365652831 /nfs/dbraw/zinc/65/28/31/365652831.db2.gz NSDKRWOJUWYVIX-UHFFFAOYSA-N 1 2 254.761 2.183 20 10 CECDLO CCN1CCC[N@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000191543460 369721416 /nfs/dbraw/zinc/72/14/16/369721416.db2.gz CLRALQMKCBVPQC-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO CCN1CCC[N@@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000191543460 369721421 /nfs/dbraw/zinc/72/14/21/369721421.db2.gz CLRALQMKCBVPQC-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO C[C@@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000365442380 372861766 /nfs/dbraw/zinc/86/17/66/372861766.db2.gz JWRXJAHHMXFBRZ-MPBGBICISA-N 1 2 298.427 2.235 20 10 CECDLO C[C@@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000365442380 372861774 /nfs/dbraw/zinc/86/17/74/372861774.db2.gz JWRXJAHHMXFBRZ-MPBGBICISA-N 1 2 298.427 2.235 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H]2CCOC[C@@H]21 ZINC000366495798 373071441 /nfs/dbraw/zinc/07/14/41/373071441.db2.gz HLQVSQIXWPTQQA-JSGCOSHPSA-N 1 2 283.755 2.035 20 10 CECDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000271196719 373174832 /nfs/dbraw/zinc/17/48/32/373174832.db2.gz OAABMCWMIRXIPT-QHRIQVFBSA-N 1 2 280.437 2.094 20 10 CECDLO C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000271196719 373174837 /nfs/dbraw/zinc/17/48/37/373174837.db2.gz OAABMCWMIRXIPT-QHRIQVFBSA-N 1 2 280.437 2.094 20 10 CECDLO CCOCCOC1C[NH+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000272419358 373475926 /nfs/dbraw/zinc/47/59/26/373475926.db2.gz NBGRSVNJHXMVQH-UHFFFAOYSA-N 1 2 296.386 2.129 20 10 CECDLO CC(C)N1CC[N@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000272479846 373509277 /nfs/dbraw/zinc/50/92/77/373509277.db2.gz BUWKIQAEIQJAAK-UHFFFAOYSA-N 1 2 282.771 2.098 20 10 CECDLO CC(C)N1CC[N@@H+](Cc2cccc(Cl)c2O)CC1=O ZINC000272479846 373509287 /nfs/dbraw/zinc/50/92/87/373509287.db2.gz BUWKIQAEIQJAAK-UHFFFAOYSA-N 1 2 282.771 2.098 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3ncc(C)o3)CC2)cc1 ZINC000173465279 395114193 /nfs/dbraw/zinc/11/41/93/395114193.db2.gz JKFAERUDHUOXHV-UHFFFAOYSA-N 1 2 287.363 2.314 20 10 CECDLO CC[C@@H]([NH2+][C@@H](CO)COC)c1cccc(Cl)c1O ZINC000286942138 286924428 /nfs/dbraw/zinc/92/44/28/286924428.db2.gz GXZDHJFYZOHUCY-JOYOIKCWSA-N 1 2 273.760 2.094 20 10 CECDLO C[C@@H]([NH2+]CC(F)(F)CO)c1ccc(N(C)C)cc1 ZINC000184691057 262026086 /nfs/dbraw/zinc/02/60/86/262026086.db2.gz VESFMYXIBNZSGO-SNVBAGLBSA-N 1 2 258.312 2.031 20 10 CECDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000186214443 262084331 /nfs/dbraw/zinc/08/43/31/262084331.db2.gz SZTWTTPOYLCPPD-NSHDSACASA-N 1 2 286.379 2.250 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377709677 329026190 /nfs/dbraw/zinc/02/61/90/329026190.db2.gz ZGDGDKWTMBQIAX-ZFWWWQNUSA-N 1 2 297.782 2.425 20 10 CECDLO CCOc1ccc([N@H+](CC)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000279914072 521028123 /nfs/dbraw/zinc/02/81/23/521028123.db2.gz FLWIVNCVHQAVBM-ZDUSSCGKSA-N 1 2 297.420 2.346 20 10 CECDLO CCOc1ccc([N@@H+](CC)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000279914072 521028131 /nfs/dbraw/zinc/02/81/31/521028131.db2.gz FLWIVNCVHQAVBM-ZDUSSCGKSA-N 1 2 297.420 2.346 20 10 CECDLO CN(C)c1ccc(CN(C)C(=O)C=Cc2c[nH]c[nH+]2)cc1 ZINC000276754680 522163471 /nfs/dbraw/zinc/16/34/71/522163471.db2.gz WKONPDMFZLHEPT-RMKNXTFCSA-N 1 2 284.363 2.148 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H](C)[S@]1=O ZINC000289678372 523450240 /nfs/dbraw/zinc/45/02/40/523450240.db2.gz NVPUNPQTVMJWEV-FTNGCUSPSA-N 1 2 285.384 2.263 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H](C)[S@]1=O ZINC000289678372 523450246 /nfs/dbraw/zinc/45/02/46/523450246.db2.gz NVPUNPQTVMJWEV-FTNGCUSPSA-N 1 2 285.384 2.263 20 10 CECDLO C[NH+](C)C(C)(C)CNCc1c(O)cccc1Cl ZINC000083551290 524033363 /nfs/dbraw/zinc/03/33/63/524033363.db2.gz QOEHKIAWJPORMR-UHFFFAOYSA-N 1 2 256.777 2.475 20 10 CECDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[S@@](=O)C1 ZINC000277384596 524622593 /nfs/dbraw/zinc/62/25/93/524622593.db2.gz GNGLUBFNBMYDSV-XTZNXHDOSA-N 1 2 287.812 2.246 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[S@@](=O)C1 ZINC000277384596 524622600 /nfs/dbraw/zinc/62/26/00/524622600.db2.gz GNGLUBFNBMYDSV-XTZNXHDOSA-N 1 2 287.812 2.246 20 10 CECDLO COc1cccc(C[NH2+][C@@H](C)C(=O)OC2CCCC2)c1O ZINC000237227011 526029616 /nfs/dbraw/zinc/02/96/16/526029616.db2.gz YZVIQGGGQJRXQA-NSHDSACASA-N 1 2 293.363 2.365 20 10 CECDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+](C)Cc1ccccc1O ZINC000289482996 526169898 /nfs/dbraw/zinc/16/98/98/526169898.db2.gz BUDQKIBVMKUNPX-QMMMGPOBSA-N 1 2 293.758 2.006 20 10 CECDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+](C)Cc1ccccc1O ZINC000289482996 526169905 /nfs/dbraw/zinc/16/99/05/526169905.db2.gz BUDQKIBVMKUNPX-QMMMGPOBSA-N 1 2 293.758 2.006 20 10 CECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+]Cc2cnn3ccccc23)c1 ZINC000729679575 574490481 /nfs/dbraw/zinc/49/04/81/574490481.db2.gz JUECXDYWSIBTNN-UHFFFAOYSA-N 1 2 298.302 2.238 20 10 CECDLO OCCC[N@H+](Cc1cc(F)cc(F)c1O)C1CC1 ZINC000894019431 629085508 /nfs/dbraw/zinc/08/55/08/629085508.db2.gz CLAWAKNKDINHCS-UHFFFAOYSA-N 1 2 257.280 2.017 20 10 CECDLO OCCC[N@@H+](Cc1cc(F)cc(F)c1O)C1CC1 ZINC000894019431 629085510 /nfs/dbraw/zinc/08/55/10/629085510.db2.gz CLAWAKNKDINHCS-UHFFFAOYSA-N 1 2 257.280 2.017 20 10 CECDLO C[N@@H+](Cc1cc(F)ccc1O)[C@H]1CC(C)(C)OC1=O ZINC000814179794 629210623 /nfs/dbraw/zinc/21/06/23/629210623.db2.gz YTQRJAPZALYETI-NSHDSACASA-N 1 2 267.300 2.057 20 10 CECDLO C[N@H+](CCCn1cc[nH+]c1)Cc1cc(F)cc(F)c1[O-] ZINC000894776541 629632339 /nfs/dbraw/zinc/63/23/39/629632339.db2.gz HIDYBSGTEKJTLQ-UHFFFAOYSA-N 1 2 281.306 2.389 20 10 CECDLO C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(F)cc(F)c1[O-] ZINC000894776541 629632344 /nfs/dbraw/zinc/63/23/44/629632344.db2.gz HIDYBSGTEKJTLQ-UHFFFAOYSA-N 1 2 281.306 2.389 20 10 CECDLO COc1cc(C)cc(C[NH+]2CC(OCC(F)F)C2)c1O ZINC000894976569 629778186 /nfs/dbraw/zinc/77/81/86/629778186.db2.gz SNMQLLQAWOFQSP-UHFFFAOYSA-N 1 2 287.306 2.175 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCc2ncncc2C1 ZINC000895722578 630315562 /nfs/dbraw/zinc/31/55/62/630315562.db2.gz JSHQRINXJMXFMR-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCc2ncncc2C1 ZINC000895722578 630315565 /nfs/dbraw/zinc/31/55/65/630315565.db2.gz JSHQRINXJMXFMR-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO Cc1noc(C2([NH2+]Cc3cccc(C)c3O)CC2)n1 ZINC000897898077 631967777 /nfs/dbraw/zinc/96/77/77/631967777.db2.gz XNMLPHSTPVCVQY-UHFFFAOYSA-N 1 2 259.309 2.171 20 10 CECDLO COCc1cc(C[NH2+]Cc2cccc(Cl)c2O)no1 ZINC000898218792 632094686 /nfs/dbraw/zinc/09/46/86/632094686.db2.gz PMNZSLCZSPHFQZ-UHFFFAOYSA-N 1 2 282.727 2.470 20 10 CECDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]21 ZINC000814173629 632799398 /nfs/dbraw/zinc/79/93/98/632799398.db2.gz UDIPKJMMHZOGKZ-JDICNCQASA-N 1 2 299.729 2.036 20 10 CECDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]21 ZINC000814173629 632799405 /nfs/dbraw/zinc/79/94/05/632799405.db2.gz UDIPKJMMHZOGKZ-JDICNCQASA-N 1 2 299.729 2.036 20 10 CECDLO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000814180447 632802148 /nfs/dbraw/zinc/80/21/48/632802148.db2.gz OKQJLLSZTZUWDK-CYBMUJFWSA-N 1 2 293.363 2.317 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c1 ZINC000814180447 632802152 /nfs/dbraw/zinc/80/21/52/632802152.db2.gz OKQJLLSZTZUWDK-CYBMUJFWSA-N 1 2 293.363 2.317 20 10 CECDLO NC(=O)CC1([NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000816572911 633415121 /nfs/dbraw/zinc/41/51/21/633415121.db2.gz ICDYICKCUJFISZ-UHFFFAOYSA-N 1 2 286.734 2.072 20 10 CECDLO Cc1cc(N(C)C)ccc1CNC(=O)CNc1cccc[nH+]1 ZINC000900731151 633828207 /nfs/dbraw/zinc/82/82/07/633828207.db2.gz CCPQAVLXBKKNKS-UHFFFAOYSA-N 1 2 298.390 2.184 20 10 CECDLO CCn1nc(C)c(C[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000822494888 634931374 /nfs/dbraw/zinc/93/13/74/634931374.db2.gz XFJZKWMEQSXADG-UHFFFAOYSA-N 1 2 298.749 2.394 20 10 CECDLO COC[C@](C)(O)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000824559368 635449856 /nfs/dbraw/zinc/44/98/56/635449856.db2.gz QUBIUVXTAAKBFJ-CYBMUJFWSA-N 1 2 291.750 2.062 20 10 CECDLO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cccc(Cl)c1O ZINC000824708917 635482176 /nfs/dbraw/zinc/48/21/76/635482176.db2.gz LHLNRNMUPVCHRA-GWCFXTLKSA-N 1 2 285.771 2.187 20 10 CECDLO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876782042 650429164 /nfs/dbraw/zinc/42/91/64/650429164.db2.gz MHKOUEUDHGBNHF-CQSZACIVSA-N 1 2 285.290 2.055 20 10 CECDLO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876782042 650429166 /nfs/dbraw/zinc/42/91/66/650429166.db2.gz MHKOUEUDHGBNHF-CQSZACIVSA-N 1 2 285.290 2.055 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1O ZINC000166462204 639466038 /nfs/dbraw/zinc/46/60/38/639466038.db2.gz VTBQXRCTSKGYLT-OTYXRUKQSA-N 1 2 297.782 2.451 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c1O ZINC000166462204 639466040 /nfs/dbraw/zinc/46/60/40/639466040.db2.gz VTBQXRCTSKGYLT-OTYXRUKQSA-N 1 2 297.782 2.451 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127088 640293650 /nfs/dbraw/zinc/29/36/50/640293650.db2.gz OKBQKYXXIDNHAB-NOZJJQNGSA-N 1 2 284.762 2.369 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127088 640293662 /nfs/dbraw/zinc/29/36/62/640293662.db2.gz OKBQKYXXIDNHAB-NOZJJQNGSA-N 1 2 284.762 2.369 20 10 CECDLO C[C@@H](Cc1nc(Cc2ccc(N)cc2)no1)n1cc[nH+]c1 ZINC000844905757 640862203 /nfs/dbraw/zinc/86/22/03/640862203.db2.gz FZCZHPDGYBQXAJ-NSHDSACASA-N 1 2 283.335 2.243 20 10 CECDLO CCN1C[C@@H](C[NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000846097243 641181139 /nfs/dbraw/zinc/18/11/39/641181139.db2.gz OHVYPAZWDRYYDA-SNVBAGLBSA-N 1 2 282.771 2.004 20 10 CECDLO CCOC(=O)C[N@H+](Cc1cccc(CC)c1O)C1CC1 ZINC000848882601 642169437 /nfs/dbraw/zinc/16/94/37/642169437.db2.gz VMTKPUWIWGLHEK-UHFFFAOYSA-N 1 2 277.364 2.482 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1cccc(CC)c1O)C1CC1 ZINC000848882601 642169440 /nfs/dbraw/zinc/16/94/40/642169440.db2.gz VMTKPUWIWGLHEK-UHFFFAOYSA-N 1 2 277.364 2.482 20 10 CECDLO Oc1c(C[NH2+]Cc2cnc3n2CCCC3)ccc(F)c1F ZINC000877507419 650756074 /nfs/dbraw/zinc/75/60/74/650756074.db2.gz DYLDBRLTPFFFBU-UHFFFAOYSA-N 1 2 293.317 2.493 20 10 CECDLO C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(F)cc1O ZINC000850499709 642732899 /nfs/dbraw/zinc/73/28/99/642732899.db2.gz VUHAXVKXIJVWJF-AUTRQRHGSA-N 1 2 276.315 2.479 20 10 CECDLO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cc(F)cc(F)c1O ZINC000756739388 644688335 /nfs/dbraw/zinc/68/83/35/644688335.db2.gz MUAOXPLCMGQPJT-SDBXPKJASA-N 1 2 271.307 2.482 20 10 CECDLO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756782648 644692455 /nfs/dbraw/zinc/69/24/55/644692455.db2.gz SUFZQAURHCSUGF-MRVPVSSYSA-N 1 2 286.322 2.093 20 10 CECDLO OC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775634043 646974360 /nfs/dbraw/zinc/97/43/60/646974360.db2.gz NZKFMDLVPZTAMB-SECBINFHSA-N 1 2 273.735 2.389 20 10 CECDLO OC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775634043 646974362 /nfs/dbraw/zinc/97/43/62/646974362.db2.gz NZKFMDLVPZTAMB-SECBINFHSA-N 1 2 273.735 2.389 20 10 CECDLO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775702286 646982725 /nfs/dbraw/zinc/98/27/25/646982725.db2.gz NLKMLUOZKVJBPG-SNVBAGLBSA-N 1 2 259.708 2.405 20 10 CECDLO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775702286 646982727 /nfs/dbraw/zinc/98/27/27/646982727.db2.gz NLKMLUOZKVJBPG-SNVBAGLBSA-N 1 2 259.708 2.405 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000775791381 646992886 /nfs/dbraw/zinc/99/28/86/646992886.db2.gz HCYCYUQDAGZZCF-JTQLQIEISA-N 1 2 259.708 2.453 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(F)cc(F)c1O ZINC000788984318 648241890 /nfs/dbraw/zinc/24/18/90/648241890.db2.gz KNXPSXHCAJWXTA-NGZCFLSTSA-N 1 2 271.307 2.482 20 10 CECDLO COc1cc(Cl)cc(C[NH2+]CC(F)F)c1O ZINC000132359006 652515332 /nfs/dbraw/zinc/51/53/32/652515332.db2.gz NFLXYCAXGVAVKJ-UHFFFAOYSA-N 1 2 251.660 2.409 20 10 CECDLO C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000134925922 652892241 /nfs/dbraw/zinc/89/22/41/652892241.db2.gz OEWSZEMGQZUQTB-BQBZGAKWSA-N 1 2 292.148 2.325 20 10 CECDLO COc1cc(O)c(C[N@@H+]2CCn3cccc3C2)c(OC)c1 ZINC001141028639 803666330 /nfs/dbraw/zinc/66/63/30/803666330.db2.gz YCMKDJNCYLPKLT-UHFFFAOYSA-N 1 2 288.347 2.227 20 10 CECDLO COc1cc(O)c(C[N@H+]2CCn3cccc3C2)c(OC)c1 ZINC001141028639 803666337 /nfs/dbraw/zinc/66/63/37/803666337.db2.gz YCMKDJNCYLPKLT-UHFFFAOYSA-N 1 2 288.347 2.227 20 10 CECDLO CC[C@H](O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715723941 814988563 /nfs/dbraw/zinc/98/85/63/814988563.db2.gz XTECINJZVBVNTF-VIFPVBQESA-N 1 2 292.148 2.154 20 10 CECDLO CCOC(=O)[C@@H]([NH2+]Cc1cccc(CC)c1O)C1CC1 ZINC001118399507 815011113 /nfs/dbraw/zinc/01/11/13/815011113.db2.gz FOWCDMLXBZRHKR-AWEZNQCLSA-N 1 2 277.364 2.386 20 10 CECDLO COc1cccc(O)c1C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC001118611148 815030383 /nfs/dbraw/zinc/03/03/83/815030383.db2.gz YZQUWHKTRWEVMG-AWEZNQCLSA-N 1 2 287.306 2.257 20 10 CECDLO COc1cccc(O)c1C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC001118611148 815030391 /nfs/dbraw/zinc/03/03/91/815030391.db2.gz YZQUWHKTRWEVMG-AWEZNQCLSA-N 1 2 287.306 2.257 20 10 CECDLO Oc1c(CN2CC[C@@H]([NH+]3CCCC3)C2)ccc(F)c1F ZINC000703448339 809650498 /nfs/dbraw/zinc/65/04/98/809650498.db2.gz SGOVPOGFAZVXJJ-GFCCVEGCSA-N 1 2 282.334 2.341 20 10 CECDLO CO[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703586114 809667041 /nfs/dbraw/zinc/66/70/41/809667041.db2.gz OBPQHMHHBSDPOM-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO CO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000703586114 809667045 /nfs/dbraw/zinc/66/70/45/809667045.db2.gz OBPQHMHHBSDPOM-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708438537 809931436 /nfs/dbraw/zinc/93/14/36/809931436.db2.gz WITQWWDZZMHQGV-OQPBUACISA-N 1 2 257.280 2.328 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000384957723 813126415 /nfs/dbraw/zinc/12/64/15/813126415.db2.gz RCWKPYKVBCRYOH-QPUJVOFHSA-N 1 2 283.755 2.203 20 10 CECDLO COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ncn(C)n2)c1O ZINC000391936635 813293359 /nfs/dbraw/zinc/29/33/59/813293359.db2.gz QYLQOWSRIQHRKV-QMMMGPOBSA-N 1 2 296.758 2.034 20 10 CECDLO CC(C)[C@H](CO)C[NH2+]Cc1cccc(Cl)c1O ZINC000394070621 813336177 /nfs/dbraw/zinc/33/61/77/813336177.db2.gz JUJUVUXKSLGLHV-NSHDSACASA-N 1 2 257.761 2.400 20 10 CECDLO Cc1ccc(C)c(C[N@@H+]2CCn3ccnc3C2)c1O ZINC001140180097 816204371 /nfs/dbraw/zinc/20/43/71/816204371.db2.gz IMAOOYWGFQEZIA-UHFFFAOYSA-N 1 2 257.337 2.221 20 10 CECDLO Cc1ccc(C)c(C[N@H+]2CCn3ccnc3C2)c1O ZINC001140180097 816204372 /nfs/dbraw/zinc/20/43/72/816204372.db2.gz IMAOOYWGFQEZIA-UHFFFAOYSA-N 1 2 257.337 2.221 20 10 CECDLO O=C1C[N@@H+](Cc2c(O)cccc2Cl)CC2(CCCC2)N1 ZINC001140342794 816236978 /nfs/dbraw/zinc/23/69/78/816236978.db2.gz YTMFIHJLJNLWGX-UHFFFAOYSA-N 1 2 294.782 2.290 20 10 CECDLO O=C1C[N@H+](Cc2c(O)cccc2Cl)CC2(CCCC2)N1 ZINC001140342794 816236983 /nfs/dbraw/zinc/23/69/83/816236983.db2.gz YTMFIHJLJNLWGX-UHFFFAOYSA-N 1 2 294.782 2.290 20 10 CECDLO C[N@H+](Cc1cncnc1)Cc1c(O)cccc1Cl ZINC001140342255 816237839 /nfs/dbraw/zinc/23/78/39/816237839.db2.gz AGHTWOBNPUOQAV-UHFFFAOYSA-N 1 2 263.728 2.468 20 10 CECDLO C[N@@H+](Cc1cncnc1)Cc1c(O)cccc1Cl ZINC001140342255 816237844 /nfs/dbraw/zinc/23/78/44/816237844.db2.gz AGHTWOBNPUOQAV-UHFFFAOYSA-N 1 2 263.728 2.468 20 10 CECDLO CCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461691 816260214 /nfs/dbraw/zinc/26/02/14/816260214.db2.gz QXTTWOXUKIRXTM-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO OC[C@@]1(F)CCC[N@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140582652 816290216 /nfs/dbraw/zinc/29/02/16/816290216.db2.gz LQYQZKBFRIBUSZ-CQSZACIVSA-N 1 2 289.297 2.357 20 10 CECDLO OC[C@@]1(F)CCC[N@@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140582652 816290219 /nfs/dbraw/zinc/29/02/19/816290219.db2.gz LQYQZKBFRIBUSZ-CQSZACIVSA-N 1 2 289.297 2.357 20 10 CECDLO C[C@@H]1CN(Cc2c(O)cc(F)cc2F)C[C@H](C)[N@H+]1C ZINC001140583231 816291588 /nfs/dbraw/zinc/29/15/88/816291588.db2.gz ACCHNIKYOZGNOG-AOOOYVTPSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@@H]1CN(Cc2c(O)cc(F)cc2F)C[C@H](C)[N@@H+]1C ZINC001140583231 816291591 /nfs/dbraw/zinc/29/15/91/816291591.db2.gz ACCHNIKYOZGNOG-AOOOYVTPSA-N 1 2 270.323 2.195 20 10 CECDLO CCC1(O)CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140583470 816293515 /nfs/dbraw/zinc/29/35/15/816293515.db2.gz ICMWHLVQWNROTN-UHFFFAOYSA-N 1 2 271.307 2.407 20 10 CECDLO Cc1c(O)ccc(C[N@H+](C)Cc2nnc3ccccn32)c1O ZINC001140744455 816339732 /nfs/dbraw/zinc/33/97/32/816339732.db2.gz XZABUXVNRJNBDC-UHFFFAOYSA-N 1 2 298.346 2.081 20 10 CECDLO Cc1c(O)ccc(C[N@@H+](C)Cc2nnc3ccccn32)c1O ZINC001140744455 816339739 /nfs/dbraw/zinc/33/97/39/816339739.db2.gz XZABUXVNRJNBDC-UHFFFAOYSA-N 1 2 298.346 2.081 20 10 CECDLO CC[N@H+](CCN(C)C)Cc1cc(F)c(F)cc1O ZINC001142502888 816675287 /nfs/dbraw/zinc/67/52/87/816675287.db2.gz ZLHROCOANSYRQU-UHFFFAOYSA-N 1 2 258.312 2.054 20 10 CECDLO CC[N@@H+](CCN(C)C)Cc1cc(F)c(F)cc1O ZINC001142502888 816675290 /nfs/dbraw/zinc/67/52/90/816675290.db2.gz ZLHROCOANSYRQU-UHFFFAOYSA-N 1 2 258.312 2.054 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)C[C@H](C)O1 ZINC001142502031 816675441 /nfs/dbraw/zinc/67/54/41/816675441.db2.gz GXQGBTJUWUXPKZ-DTORHVGOSA-N 1 2 257.280 2.280 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)C[C@H](C)O1 ZINC001142502031 816675445 /nfs/dbraw/zinc/67/54/45/816675445.db2.gz GXQGBTJUWUXPKZ-DTORHVGOSA-N 1 2 257.280 2.280 20 10 CECDLO Oc1cc(F)c(F)cc1C[NH+]1CC2(C1)CCCOC2 ZINC001142508540 816677403 /nfs/dbraw/zinc/67/74/03/816677403.db2.gz CKDZZQWNQZELEW-UHFFFAOYSA-N 1 2 269.291 2.283 20 10 CECDLO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142531250 816680810 /nfs/dbraw/zinc/68/08/10/816680810.db2.gz QAURVDOFDDJUHP-LLVKDONJSA-N 1 2 298.333 2.161 20 10 CECDLO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142531250 816680813 /nfs/dbraw/zinc/68/08/13/816680813.db2.gz QAURVDOFDDJUHP-LLVKDONJSA-N 1 2 298.333 2.161 20 10 CECDLO O=C1NCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000050394428 362418834 /nfs/dbraw/zinc/41/88/34/362418834.db2.gz LZOJVOJGDNYVEQ-JTQLQIEISA-N 1 2 289.162 2.067 20 10 CECDLO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(F)c(F)c1O ZINC000276894761 299391967 /nfs/dbraw/zinc/39/19/67/299391967.db2.gz IGBWSPNDGRUOPH-VAOFZXAKSA-N 1 2 257.280 2.498 20 10 CECDLO CCOc1cccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000271175571 373164323 /nfs/dbraw/zinc/16/43/23/373164323.db2.gz FUUNDNFJQPIYJU-JGRMJRGVSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1cccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000271175571 373164329 /nfs/dbraw/zinc/16/43/29/373164329.db2.gz FUUNDNFJQPIYJU-JGRMJRGVSA-N 1 2 297.420 2.132 20 10 CECDLO CC[N@H+](CC(=O)OC)Cc1cccc(Cl)c1O ZINC000271716018 373197660 /nfs/dbraw/zinc/19/76/60/373197660.db2.gz IKLYBYJYYPGLFM-UHFFFAOYSA-N 1 2 257.717 2.041 20 10 CECDLO CC[N@@H+](CC(=O)OC)Cc1cccc(Cl)c1O ZINC000271716018 373197666 /nfs/dbraw/zinc/19/76/66/373197666.db2.gz IKLYBYJYYPGLFM-UHFFFAOYSA-N 1 2 257.717 2.041 20 10 CECDLO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c1 ZINC000275726731 374218793 /nfs/dbraw/zinc/21/87/93/374218793.db2.gz OLTQNXVOBFZMKX-MNOVXSKESA-N 1 2 260.341 2.241 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ncn(C)n1 ZINC000275774200 374221159 /nfs/dbraw/zinc/22/11/59/374221159.db2.gz VFFSEGNROMTZHP-DTWKUNHWSA-N 1 2 264.304 2.072 20 10 CECDLO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1)OCO2 ZINC000375356415 374653714 /nfs/dbraw/zinc/65/37/14/374653714.db2.gz ZOEVSDIXFYHCIB-LLVKDONJSA-N 1 2 287.319 2.181 20 10 CECDLO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1)OCO2 ZINC000375356415 374653741 /nfs/dbraw/zinc/65/37/41/374653741.db2.gz ZOEVSDIXFYHCIB-LLVKDONJSA-N 1 2 287.319 2.181 20 10 CECDLO COCC[C@@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000291162114 377099281 /nfs/dbraw/zinc/09/92/81/377099281.db2.gz CPQMVNFMIBREGG-GFCCVEGCSA-N 1 2 285.771 2.283 20 10 CECDLO COCC[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000291162114 377099295 /nfs/dbraw/zinc/09/92/95/377099295.db2.gz CPQMVNFMIBREGG-GFCCVEGCSA-N 1 2 285.771 2.283 20 10 CECDLO Oc1cc(F)c(Cl)cc1CN1CCn2c[nH+]cc2C1 ZINC000293953867 377845048 /nfs/dbraw/zinc/84/50/48/377845048.db2.gz PHIVAIWXAWCYOV-UHFFFAOYSA-N 1 2 281.718 2.397 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000294878608 378025268 /nfs/dbraw/zinc/02/52/68/378025268.db2.gz KSGUFZNZCCTTTM-MRVPVSSYSA-N 1 2 259.708 2.405 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000294878608 378025273 /nfs/dbraw/zinc/02/52/73/378025273.db2.gz KSGUFZNZCCTTTM-MRVPVSSYSA-N 1 2 259.708 2.405 20 10 CECDLO CC(C)(C[NH2+]Cc1cccc(Cl)c1O)N1CCOCC1 ZINC000158076395 395036663 /nfs/dbraw/zinc/03/66/63/395036663.db2.gz OAAQBBIEMAWGSK-UHFFFAOYSA-N 1 2 298.814 2.246 20 10 CECDLO C[C@H](CCCO)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187755865 395303719 /nfs/dbraw/zinc/30/37/19/395303719.db2.gz JMFKMDVSEZACOI-RKDXNWHRSA-N 1 2 259.296 2.482 20 10 CECDLO CN(CCCn1cc[nH+]c1)c1ccc2c(c1)OCO2 ZINC000183065487 261961075 /nfs/dbraw/zinc/96/10/75/261961075.db2.gz LERVMEUYERJKHE-UHFFFAOYSA-N 1 2 259.309 2.138 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184677135 262026182 /nfs/dbraw/zinc/02/61/82/262026182.db2.gz ICSANPPJAMARJO-NSHDSACASA-N 1 2 299.754 2.192 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184677135 262026183 /nfs/dbraw/zinc/02/61/83/262026183.db2.gz ICSANPPJAMARJO-NSHDSACASA-N 1 2 299.754 2.192 20 10 CECDLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccc(F)cc2O1 ZINC000493502159 262178972 /nfs/dbraw/zinc/17/89/72/262178972.db2.gz XKKXAMKUTDSZRZ-RXNUUUNCSA-N 1 2 287.294 2.376 20 10 CECDLO COc1ccc(O)c([C@H](C)[N@@H+]2CC(F)(F)C[C@@H]2CO)c1 ZINC000368035248 267139505 /nfs/dbraw/zinc/13/95/05/267139505.db2.gz FFASVPOUEBDZAE-VHSXEESVSA-N 1 2 287.306 2.164 20 10 CECDLO COc1ccc(O)c([C@H](C)[N@H+]2CC(F)(F)C[C@@H]2CO)c1 ZINC000368035248 267139506 /nfs/dbraw/zinc/13/95/06/267139506.db2.gz FFASVPOUEBDZAE-VHSXEESVSA-N 1 2 287.306 2.164 20 10 CECDLO COc1ccc(O)c([C@@H](C)N2CCc3c([nH+]cn3C)C2)c1 ZINC000368878413 267210721 /nfs/dbraw/zinc/21/07/21/267210721.db2.gz CTDXIDFOJBRBSZ-LLVKDONJSA-N 1 2 287.363 2.254 20 10 CECDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2cccc(C)c2O)n1 ZINC000271864940 328198623 /nfs/dbraw/zinc/19/86/23/328198623.db2.gz RABNMNWTRYTMPG-LLVKDONJSA-N 1 2 291.351 2.423 20 10 CECDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2cccc(C)c2O)n1 ZINC000271864940 328198624 /nfs/dbraw/zinc/19/86/24/328198624.db2.gz RABNMNWTRYTMPG-LLVKDONJSA-N 1 2 291.351 2.423 20 10 CECDLO COC(=O)[C@H]([NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000276454810 328218454 /nfs/dbraw/zinc/21/84/54/328218454.db2.gz KKIHBJQDYCIWLQ-LLVKDONJSA-N 1 2 269.728 2.087 20 10 CECDLO O=C1OCC[C@]12CCC[N@H+]2Cc1cc(Cl)ccc1O ZINC000190041558 329392054 /nfs/dbraw/zinc/39/20/54/329392054.db2.gz YQJAWSBKJNDSLQ-CQSZACIVSA-N 1 2 281.739 2.327 20 10 CECDLO O=C1OCC[C@]12CCC[N@@H+]2Cc1cc(Cl)ccc1O ZINC000190041558 329392055 /nfs/dbraw/zinc/39/20/55/329392055.db2.gz YQJAWSBKJNDSLQ-CQSZACIVSA-N 1 2 281.739 2.327 20 10 CECDLO CCCOc1ccc(C[NH2+][C@H](C)c2ncn(C)n2)c(O)c1 ZINC000275389852 520374734 /nfs/dbraw/zinc/37/47/34/520374734.db2.gz ASLMEZMWLFPQNJ-LLVKDONJSA-N 1 2 290.367 2.160 20 10 CECDLO CCN(CC)c1ccc(C[N@H+](C)Cc2nncn2C)cc1 ZINC000265621930 520892935 /nfs/dbraw/zinc/89/29/35/520892935.db2.gz BPSGOMMXWAENBR-UHFFFAOYSA-N 1 2 287.411 2.293 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2nncn2C)cc1 ZINC000265621930 520892942 /nfs/dbraw/zinc/89/29/42/520892942.db2.gz BPSGOMMXWAENBR-UHFFFAOYSA-N 1 2 287.411 2.293 20 10 CECDLO C[N@H+](Cc1ccon1)Cc1ccc(N2CCOCC2)cc1 ZINC000077247624 523479854 /nfs/dbraw/zinc/47/98/54/523479854.db2.gz JXVSFFWCYGHCGS-UHFFFAOYSA-N 1 2 287.363 2.143 20 10 CECDLO C[N@@H+](Cc1ccon1)Cc1ccc(N2CCOCC2)cc1 ZINC000077247624 523479861 /nfs/dbraw/zinc/47/98/61/523479861.db2.gz JXVSFFWCYGHCGS-UHFFFAOYSA-N 1 2 287.363 2.143 20 10 CECDLO C[C@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1=O ZINC000289902711 525299650 /nfs/dbraw/zinc/29/96/50/525299650.db2.gz UDKFRQHEWIYZKW-KRWDZBQOSA-N 1 2 288.391 2.472 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ncn(C)n1 ZINC000275802437 525608418 /nfs/dbraw/zinc/60/84/18/525608418.db2.gz YNGJADDUCWSGBN-DTWKUNHWSA-N 1 2 264.304 2.072 20 10 CECDLO COc1ccc([NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000726562153 574427524 /nfs/dbraw/zinc/42/75/24/574427524.db2.gz HFGCCPQHGODCDL-UHFFFAOYSA-N 1 2 274.364 2.190 20 10 CECDLO CC[N@H+](CC(=O)OC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000728709466 574468745 /nfs/dbraw/zinc/46/87/45/574468745.db2.gz VEFAMGSVRQCMDQ-UHFFFAOYSA-N 1 2 295.379 2.390 20 10 CECDLO CC[N@@H+](CC(=O)OC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000728709466 574468746 /nfs/dbraw/zinc/46/87/46/574468746.db2.gz VEFAMGSVRQCMDQ-UHFFFAOYSA-N 1 2 295.379 2.390 20 10 CECDLO COc1cc(C)cc(CNc2cc(CO)cc[nH+]2)c1O ZINC000895038091 629808885 /nfs/dbraw/zinc/80/88/85/629808885.db2.gz IBJYLHFQUBMECU-UHFFFAOYSA-N 1 2 274.320 2.209 20 10 CECDLO CCc1nnc(C[NH2+]Cc2c(O)cccc2F)s1 ZINC000896641572 630623026 /nfs/dbraw/zinc/62/30/26/630623026.db2.gz MQNQMDMMEXYLRK-UHFFFAOYSA-N 1 2 267.329 2.235 20 10 CECDLO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1[O-] ZINC000841033764 631832355 /nfs/dbraw/zinc/83/23/55/631832355.db2.gz ZGQVUHPQLATVQP-LLVKDONJSA-N 1 2 299.758 2.186 20 10 CECDLO CN(C)c1ncc(C[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000898219385 632094298 /nfs/dbraw/zinc/09/42/98/632094298.db2.gz FPDLIMJWALMFBY-UHFFFAOYSA-N 1 2 292.770 2.191 20 10 CECDLO CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1O)OCCO ZINC000809784037 632145658 /nfs/dbraw/zinc/14/56/58/632145658.db2.gz CPRJXTOSAVTDBF-UHFFFAOYSA-N 1 2 291.750 2.062 20 10 CECDLO CN(C)c1ccc(C[N@H+](C)[C@H]2CC(C)(C)OC2=O)cc1F ZINC000814180998 632802491 /nfs/dbraw/zinc/80/24/91/632802491.db2.gz UZTCDERPXDGZLL-AWEZNQCLSA-N 1 2 294.370 2.418 20 10 CECDLO CN(C)c1ccc(C[N@@H+](C)[C@H]2CC(C)(C)OC2=O)cc1F ZINC000814180998 632802496 /nfs/dbraw/zinc/80/24/96/632802496.db2.gz UZTCDERPXDGZLL-AWEZNQCLSA-N 1 2 294.370 2.418 20 10 CECDLO Oc1ccccc1C[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000815161876 632974876 /nfs/dbraw/zinc/97/48/76/632974876.db2.gz CXSTYWRIFQVYIA-UHFFFAOYSA-N 1 2 280.331 2.263 20 10 CECDLO NC(=O)c1coc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816574313 633416010 /nfs/dbraw/zinc/41/60/10/633416010.db2.gz CYBXIWXSOUQUAT-UHFFFAOYSA-N 1 2 298.701 2.166 20 10 CECDLO C[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000817412438 633650349 /nfs/dbraw/zinc/65/03/49/633650349.db2.gz LIMMRGKHNSLBEV-QWRGUYRKSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H]1C[C@H](CO)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000817412438 633650353 /nfs/dbraw/zinc/65/03/53/633650353.db2.gz LIMMRGKHNSLBEV-QWRGUYRKSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1cc(F)cc(F)c1O ZINC000903301546 635048728 /nfs/dbraw/zinc/04/87/28/635048728.db2.gz RGXXCPKLGSMFBO-RWEMILLDSA-N 1 2 270.323 2.414 20 10 CECDLO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1cc(F)cc(F)c1O ZINC000903408906 635103825 /nfs/dbraw/zinc/10/38/25/635103825.db2.gz VIARKRFMUPCZSE-SDBXPKJASA-N 1 2 271.307 2.482 20 10 CECDLO COc1ccc(O)c(C[NH2+][C@H](C(=O)OC(C)C)C(C)C)c1 ZINC000824846800 635510665 /nfs/dbraw/zinc/51/06/65/635510665.db2.gz VJWYYTMVFGIVRQ-HNNXBMFYSA-N 1 2 295.379 2.467 20 10 CECDLO CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@H](C)O ZINC000834888408 637978749 /nfs/dbraw/zinc/97/87/49/637978749.db2.gz OUJUKAOTNFMWRC-UBJUHAIHSA-N 1 2 259.296 2.480 20 10 CECDLO Cc1cc(N(C)C)ccc1C[NH+]1CC(OC(F)F)C1 ZINC000840952987 639598727 /nfs/dbraw/zinc/59/87/27/639598727.db2.gz KCIQQUWMPGOUTA-UHFFFAOYSA-N 1 2 270.323 2.484 20 10 CECDLO CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841085582 639651788 /nfs/dbraw/zinc/65/17/88/639651788.db2.gz HNUAQTUOUOOWKH-NSHDSACASA-N 1 2 272.751 2.415 20 10 CECDLO Nc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000841298181 639731778 /nfs/dbraw/zinc/73/17/78/639731778.db2.gz NCYYGPXUNYNDCZ-AWEZNQCLSA-N 1 2 297.362 2.064 20 10 CECDLO Cc1ccc(CNc2ccc(N(C)CCO)c[nH+]2)c(O)c1 ZINC000877095948 650569902 /nfs/dbraw/zinc/56/99/02/650569902.db2.gz WDYJMBGHOHCNCS-UHFFFAOYSA-N 1 2 287.363 2.136 20 10 CECDLO COC(=O)N(C)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000850548441 642749325 /nfs/dbraw/zinc/74/93/25/642749325.db2.gz RLPRULVRYNMTPG-MRVPVSSYSA-N 1 2 288.294 2.019 20 10 CECDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nnnn1C1CC1 ZINC000922054093 642857512 /nfs/dbraw/zinc/85/75/12/642857512.db2.gz XYMNJAWMACZBPA-LLVKDONJSA-N 1 2 299.378 2.184 20 10 CECDLO CCN(C)c1ccc(C[N@H+](C)Cc2ncc[nH]2)cc1 ZINC000851873923 643203166 /nfs/dbraw/zinc/20/31/66/643203166.db2.gz UNRFEQQKLLPLMI-UHFFFAOYSA-N 1 2 258.369 2.498 20 10 CECDLO CCN(C)c1ccc(C[N@@H+](C)Cc2ncc[nH]2)cc1 ZINC000851873923 643203167 /nfs/dbraw/zinc/20/31/67/643203167.db2.gz UNRFEQQKLLPLMI-UHFFFAOYSA-N 1 2 258.369 2.498 20 10 CECDLO CC[C@@]1(O)CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877691524 650853062 /nfs/dbraw/zinc/85/30/62/650853062.db2.gz PSDNYIVQXGSHCI-CQSZACIVSA-N 1 2 271.307 2.407 20 10 CECDLO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877691524 650853063 /nfs/dbraw/zinc/85/30/63/650853063.db2.gz PSDNYIVQXGSHCI-CQSZACIVSA-N 1 2 271.307 2.407 20 10 CECDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](O)C(F)(F)F ZINC000877693644 650853922 /nfs/dbraw/zinc/85/39/22/650853922.db2.gz MRBRHINHQSCMRF-LDWIPMOCSA-N 1 2 283.677 2.447 20 10 CECDLO COc1c(O)c(C[NH+]2CC3(CC(F)C3)C2)ccc1[N+](=O)[O-] ZINC000839139498 644171533 /nfs/dbraw/zinc/17/15/33/644171533.db2.gz HBDXAZIOXOQIDB-UHFFFAOYSA-N 1 2 296.298 2.243 20 10 CECDLO CC(C)NC(=O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756396431 644643456 /nfs/dbraw/zinc/64/34/56/644643456.db2.gz NFLIQCNOFDQZML-VIFPVBQESA-N 1 2 286.322 2.236 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(F)cc(F)c1O ZINC000756450964 644650836 /nfs/dbraw/zinc/65/08/36/644650836.db2.gz WWRLDNHOQXPOOA-VHSXEESVSA-N 1 2 298.333 2.332 20 10 CECDLO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756773963 644691333 /nfs/dbraw/zinc/69/13/33/644691333.db2.gz DFKBRZZIAZYPML-ZDSQKVDBSA-N 1 2 298.333 2.236 20 10 CECDLO CC[C@H]([NH2+]C[C@H]1COCCN1C)c1cccc(Cl)c1O ZINC000858523508 645190955 /nfs/dbraw/zinc/19/09/55/645190955.db2.gz RDGDGSBVOZDQSB-FZMZJTMJSA-N 1 2 298.814 2.417 20 10 CECDLO CCOC(=O)C[N@H+](Cc1cc(F)ccc1O)C1CCC1 ZINC000768531047 646135661 /nfs/dbraw/zinc/13/56/61/646135661.db2.gz RKYIMSAYMKIVOE-UHFFFAOYSA-N 1 2 281.327 2.449 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1cc(F)ccc1O)C1CCC1 ZINC000768531047 646135663 /nfs/dbraw/zinc/13/56/63/646135663.db2.gz RKYIMSAYMKIVOE-UHFFFAOYSA-N 1 2 281.327 2.449 20 10 CECDLO COC[C@]1(C)C[N@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000862552379 646496528 /nfs/dbraw/zinc/49/65/28/646496528.db2.gz XJEXZUDHLULIHQ-AWEZNQCLSA-N 1 2 285.771 2.283 20 10 CECDLO COC[C@]1(C)C[N@@H+](Cc2cccc(Cl)c2O)CCO1 ZINC000862552379 646496532 /nfs/dbraw/zinc/49/65/32/646496532.db2.gz XJEXZUDHLULIHQ-AWEZNQCLSA-N 1 2 285.771 2.283 20 10 CECDLO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[NH2+]1 ZINC000863484978 646740869 /nfs/dbraw/zinc/74/08/69/646740869.db2.gz QYBXZOCMPDWUHV-KCJUWKMLSA-N 1 2 299.758 2.184 20 10 CECDLO COC[C@](C)(CCO)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776232130 647040390 /nfs/dbraw/zinc/04/03/90/647040390.db2.gz SGPPCTNCOHAQHS-ZDUSSCGKSA-N 1 2 291.750 2.062 20 10 CECDLO CC(C)n1ncnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000865440220 647293532 /nfs/dbraw/zinc/29/35/32/647293532.db2.gz FHWSKBZLYHGZIR-UHFFFAOYSA-N 1 2 272.352 2.084 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000782624097 647645734 /nfs/dbraw/zinc/64/57/34/647645734.db2.gz IYPIZGZGDFTJOX-XHDPSFHLSA-N 1 2 295.766 2.062 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000782624097 647645737 /nfs/dbraw/zinc/64/57/37/647645737.db2.gz IYPIZGZGDFTJOX-XHDPSFHLSA-N 1 2 295.766 2.062 20 10 CECDLO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883039258 652340061 /nfs/dbraw/zinc/34/00/61/652340061.db2.gz IVIGNEBABPVJEX-XPTSAGLGSA-N 1 2 282.334 2.243 20 10 CECDLO CC[N@H+](Cc1cc(F)c(F)cc1O)[C@@H](C)C(=O)OC ZINC001142534381 806623509 /nfs/dbraw/zinc/62/35/09/806623509.db2.gz HQQLCSFPWFWULT-QMMMGPOBSA-N 1 2 273.279 2.054 20 10 CECDLO CC[N@@H+](Cc1cc(F)c(F)cc1O)[C@@H](C)C(=O)OC ZINC001142534381 806623513 /nfs/dbraw/zinc/62/35/13/806623513.db2.gz HQQLCSFPWFWULT-QMMMGPOBSA-N 1 2 273.279 2.054 20 10 CECDLO CCN1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1=O ZINC000722351546 804342226 /nfs/dbraw/zinc/34/22/26/804342226.db2.gz CUXFFBUXPCXHBM-GFCCVEGCSA-N 1 2 282.771 2.146 20 10 CECDLO C[NH+](C)C1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139685831 804456245 /nfs/dbraw/zinc/45/62/45/804456245.db2.gz YLFIXYROELHQAB-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO CC(C)[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1F ZINC001137838810 809812093 /nfs/dbraw/zinc/81/20/93/809812093.db2.gz KUGHZYRUFILNIO-ZDUSSCGKSA-N 1 2 253.317 2.388 20 10 CECDLO CC(C)[C@@H]1COCC[N@H+]1Cc1c(O)cccc1F ZINC001137838810 809812096 /nfs/dbraw/zinc/81/20/96/809812096.db2.gz KUGHZYRUFILNIO-ZDUSSCGKSA-N 1 2 253.317 2.388 20 10 CECDLO Cn1cc(Cl)c(C[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000708389564 809928860 /nfs/dbraw/zinc/92/88/60/809928860.db2.gz MBRYLURQNHMHHL-UHFFFAOYSA-N 1 2 287.697 2.347 20 10 CECDLO Cc1cc(C[NH2+]Cc2cc(F)cc(F)c2O)no1 ZINC000708535677 809945592 /nfs/dbraw/zinc/94/55/92/809945592.db2.gz PEKUCYMMASLFAB-UHFFFAOYSA-N 1 2 254.236 2.257 20 10 CECDLO Oc1ccc(CNc2ccn3cc[nH+]c3c2)cc1O ZINC001169992658 811860181 /nfs/dbraw/zinc/86/01/81/811860181.db2.gz JSTZKHBMXUULEW-UHFFFAOYSA-N 1 2 255.277 2.358 20 10 CECDLO COCCOc1cc(NCc2ccc(O)c(O)c2)cc[nH+]1 ZINC001169996694 811876965 /nfs/dbraw/zinc/87/69/65/811876965.db2.gz GUTSLMVPWVPBJA-UHFFFAOYSA-N 1 2 290.319 2.130 20 10 CECDLO Oc1ccc(F)cc1C[NH+]1CC2(C1)CCCCO2 ZINC001140063673 816182935 /nfs/dbraw/zinc/18/29/35/816182935.db2.gz UZPZNKSMLMDNEA-UHFFFAOYSA-N 1 2 251.301 2.286 20 10 CECDLO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1c(O)cc(F)cc1F)C2 ZINC001140584268 816293300 /nfs/dbraw/zinc/29/33/00/816293300.db2.gz LEANGVBBRNLTFM-MEBBXXQBSA-N 1 2 282.334 2.054 20 10 CECDLO Cc1ncc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001203116575 816610118 /nfs/dbraw/zinc/61/01/18/816610118.db2.gz JVHDDNVJWAUAFO-UHFFFAOYSA-N 1 2 285.347 2.145 20 10 CECDLO Cc1ncc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cn1 ZINC001203116575 816610124 /nfs/dbraw/zinc/61/01/24/816610124.db2.gz JVHDDNVJWAUAFO-UHFFFAOYSA-N 1 2 285.347 2.145 20 10 CECDLO CC(C)(C)c1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)c1O ZINC001143110792 816787309 /nfs/dbraw/zinc/78/73/09/816787309.db2.gz PKXMDZNNMLSREI-AAEUAGOBSA-N 1 2 294.370 2.087 20 10 CECDLO CC(C)(C)c1cccc(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)c1O ZINC001143110792 816787317 /nfs/dbraw/zinc/78/73/17/816787317.db2.gz PKXMDZNNMLSREI-AAEUAGOBSA-N 1 2 294.370 2.087 20 10 CECDLO CCC[N@H+](CC(=O)NC)Cc1cccc(Cl)c1O ZINC000124564064 283101552 /nfs/dbraw/zinc/10/15/52/283101552.db2.gz VFMRGIRZDBJWKV-UHFFFAOYSA-N 1 2 270.760 2.004 20 10 CECDLO CCC[N@@H+](CC(=O)NC)Cc1cccc(Cl)c1O ZINC000124564064 283101556 /nfs/dbraw/zinc/10/15/56/283101556.db2.gz VFMRGIRZDBJWKV-UHFFFAOYSA-N 1 2 270.760 2.004 20 10 CECDLO NC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180560796 368386316 /nfs/dbraw/zinc/38/63/16/368386316.db2.gz AYJSFKNXHOEVAR-JTQLQIEISA-N 1 2 282.771 2.133 20 10 CECDLO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180560796 368386323 /nfs/dbraw/zinc/38/63/23/368386323.db2.gz AYJSFKNXHOEVAR-JTQLQIEISA-N 1 2 282.771 2.133 20 10 CECDLO CC[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cccc(Cl)c1O ZINC000287277827 376192967 /nfs/dbraw/zinc/19/29/67/376192967.db2.gz BHZBZNGUVSUQDP-TZMCWYRMSA-N 1 2 285.771 2.238 20 10 CECDLO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(F)c(F)c1O ZINC000276894754 299393219 /nfs/dbraw/zinc/39/32/19/299393219.db2.gz IGBWSPNDGRUOPH-DKCNOQQISA-N 1 2 257.280 2.498 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000211694877 370162883 /nfs/dbraw/zinc/16/28/83/370162883.db2.gz IWWPYCCXSYCWFH-TXEJJXNPSA-N 1 2 253.729 2.409 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000211694877 370162887 /nfs/dbraw/zinc/16/28/87/370162887.db2.gz IWWPYCCXSYCWFH-TXEJJXNPSA-N 1 2 253.729 2.409 20 10 CECDLO CC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC000271993497 373252641 /nfs/dbraw/zinc/25/26/41/373252641.db2.gz SEWYZFPIQKAXKG-CABZTGNLSA-N 1 2 255.745 2.248 20 10 CECDLO CC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC000271993497 373252645 /nfs/dbraw/zinc/25/26/45/373252645.db2.gz SEWYZFPIQKAXKG-CABZTGNLSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276896452 374338073 /nfs/dbraw/zinc/33/80/73/374338073.db2.gz IIGAOVKVBSVUIF-LQJGKPAFSA-N 1 2 291.363 2.478 20 10 CECDLO COCC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000282255815 375440302 /nfs/dbraw/zinc/44/03/02/375440302.db2.gz OXSWJCOYTKQRPB-JTQLQIEISA-N 1 2 294.178 2.186 20 10 CECDLO CC(C)n1cnnc1C[N@H+](C)Cc1ccccc1O ZINC000292798820 377287840 /nfs/dbraw/zinc/28/78/40/377287840.db2.gz NHJSJMGXMHWRDM-UHFFFAOYSA-N 1 2 260.341 2.197 20 10 CECDLO CC(C)n1cnnc1C[N@@H+](C)Cc1ccccc1O ZINC000292798820 377287843 /nfs/dbraw/zinc/28/78/43/377287843.db2.gz NHJSJMGXMHWRDM-UHFFFAOYSA-N 1 2 260.341 2.197 20 10 CECDLO CN1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294439909 377987435 /nfs/dbraw/zinc/98/74/35/377987435.db2.gz XSMSVYWTMNHSII-JTQLQIEISA-N 1 2 272.751 2.369 20 10 CECDLO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000283348238 285428580 /nfs/dbraw/zinc/42/85/80/285428580.db2.gz MGNVKELTJZUHIL-JGVFFNPUSA-N 1 2 294.178 2.357 20 10 CECDLO CC(C)Cn1ncnc1C[N@@H+](C)Cc1ccccc1O ZINC000182873096 395250446 /nfs/dbraw/zinc/25/04/46/395250446.db2.gz CEGOTAYHGADPRC-UHFFFAOYSA-N 1 2 274.368 2.272 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2cc(F)c(F)cc21 ZINC000493404300 262170123 /nfs/dbraw/zinc/17/01/23/262170123.db2.gz VZHOQMOEMSCFPD-UPHRSURJSA-N 1 2 275.258 2.290 20 10 CECDLO CO[C@@H]1Cc2ccccc2N(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000493494618 262178948 /nfs/dbraw/zinc/17/89/48/262178948.db2.gz UMHLHFVZOBFAJP-LMVHVUTASA-N 1 2 283.331 2.027 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccc(F)cc21 ZINC000492901967 262247658 /nfs/dbraw/zinc/24/76/58/262247658.db2.gz PVANOPXWLRMMJK-ARJAWSKDSA-N 1 2 257.268 2.151 20 10 CECDLO COCC[C@@H]1COCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000368269147 267158209 /nfs/dbraw/zinc/15/82/09/267158209.db2.gz FPCNSCURIMKPRF-LLVKDONJSA-N 1 2 285.771 2.283 20 10 CECDLO COCC[C@@H]1COCC[N@H+]1Cc1c(O)cccc1Cl ZINC000368269147 267158213 /nfs/dbraw/zinc/15/82/13/267158213.db2.gz FPCNSCURIMKPRF-LLVKDONJSA-N 1 2 285.771 2.283 20 10 CECDLO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191215220 298555185 /nfs/dbraw/zinc/55/51/85/298555185.db2.gz QDYJKTWPJSHELR-NXEZZACHSA-N 1 2 298.333 2.332 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000271807304 328197433 /nfs/dbraw/zinc/19/74/33/328197433.db2.gz KCABLXANDNRKNP-LBPRGKRZSA-N 1 2 273.785 2.003 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1C[NH2+]CC1COC1 ZINC000527816702 330285161 /nfs/dbraw/zinc/28/51/61/330285161.db2.gz HOBKOJMKEDNGEV-UHFFFAOYSA-N 1 2 262.136 2.435 20 10 CECDLO CC[C@H]([NH2+]Cc1cnn(CC)n1)c1ccc(F)cc1O ZINC000527924491 330296433 /nfs/dbraw/zinc/29/64/33/330296433.db2.gz PUJBKMNMDXHMCK-ZDUSSCGKSA-N 1 2 278.331 2.384 20 10 CECDLO CCn1ncc(C[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC000529638552 333502700 /nfs/dbraw/zinc/50/27/00/333502700.db2.gz KAGYHDRMVLZWIK-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000050150264 518278330 /nfs/dbraw/zinc/27/83/30/518278330.db2.gz NVXKLFSVGPGGNS-GFCCVEGCSA-N 1 2 283.755 2.205 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CO)c1O ZINC000050150264 518278334 /nfs/dbraw/zinc/27/83/34/518278334.db2.gz NVXKLFSVGPGGNS-GFCCVEGCSA-N 1 2 283.755 2.205 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](C)[S@@]1=O ZINC000289678374 523449510 /nfs/dbraw/zinc/44/95/10/523449510.db2.gz NVPUNPQTVMJWEV-KEVGGSHVSA-N 1 2 285.384 2.263 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H](C)[S@@]1=O ZINC000289678374 523449516 /nfs/dbraw/zinc/44/95/16/523449516.db2.gz NVPUNPQTVMJWEV-KEVGGSHVSA-N 1 2 285.384 2.263 20 10 CECDLO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276003717 524804384 /nfs/dbraw/zinc/80/43/84/524804384.db2.gz AVQIDZKADIRSOF-RKDXNWHRSA-N 1 2 282.294 2.001 20 10 CECDLO Oc1cc2c(cc1CNCC[NH+]1CCCCCC1)OCO2 ZINC000042880383 526336883 /nfs/dbraw/zinc/33/68/83/526336883.db2.gz CFXXUMLBCLGRSO-UHFFFAOYSA-N 1 2 292.379 2.087 20 10 CECDLO Cc1noc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000729683823 574490614 /nfs/dbraw/zinc/49/06/14/574490614.db2.gz BWXOTXCJWDWFAX-JTQLQIEISA-N 1 2 260.341 2.295 20 10 CECDLO [NH3+][C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000050227688 623364110 /nfs/dbraw/zinc/36/41/10/623364110.db2.gz YMYMPYXOMLYYBY-VIFPVBQESA-N 1 2 261.152 2.232 20 10 CECDLO COCC[C@@H](COC)[NH2+]Cc1cccc(Cl)c1O ZINC000310872072 627310860 /nfs/dbraw/zinc/31/08/60/627310860.db2.gz UITPGSZUKLPTRY-NSHDSACASA-N 1 2 273.760 2.187 20 10 CECDLO Cn1cnc(CC[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000313294327 628587939 /nfs/dbraw/zinc/58/79/39/628587939.db2.gz JEWYMNOHOWBDFA-UHFFFAOYSA-N 1 2 265.744 2.111 20 10 CECDLO COc1cc(C)cc(C[N@H+](C)Cc2ncc[nH]2)c1O ZINC000894586907 629546160 /nfs/dbraw/zinc/54/61/60/629546160.db2.gz LSQLIWPLSLMZJO-UHFFFAOYSA-N 1 2 261.325 2.064 20 10 CECDLO COc1cc(C)cc(C[N@@H+](C)Cc2ncc[nH]2)c1O ZINC000894586907 629546164 /nfs/dbraw/zinc/54/61/64/629546164.db2.gz LSQLIWPLSLMZJO-UHFFFAOYSA-N 1 2 261.325 2.064 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000894986174 629785599 /nfs/dbraw/zinc/78/55/99/629785599.db2.gz VFVGGSBCHREQFB-UWVGGRQHSA-N 1 2 257.305 2.360 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000894986174 629785601 /nfs/dbraw/zinc/78/56/01/629785601.db2.gz VFVGGSBCHREQFB-UWVGGRQHSA-N 1 2 257.305 2.360 20 10 CECDLO C[C@H]1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1C ZINC000896559407 630594736 /nfs/dbraw/zinc/59/47/36/630594736.db2.gz PNDUIWNEKIMWKE-UFBFGSQYSA-N 1 2 272.751 2.367 20 10 CECDLO Cc1nc(C)c(C[NH2+]Cc2c(O)cccc2F)o1 ZINC000896638948 630621629 /nfs/dbraw/zinc/62/16/29/630621629.db2.gz SDMIGXXHQSGYFF-UHFFFAOYSA-N 1 2 250.273 2.426 20 10 CECDLO COc1ccc(C[N@@H+]2CCn3cccc3C2)c(O)c1OC ZINC000896762904 630661818 /nfs/dbraw/zinc/66/18/18/630661818.db2.gz GUWCKDNYEDRWIO-UHFFFAOYSA-N 1 2 288.347 2.227 20 10 CECDLO COc1ccc(C[N@H+]2CCn3cccc3C2)c(O)c1OC ZINC000896762904 630661822 /nfs/dbraw/zinc/66/18/22/630661822.db2.gz GUWCKDNYEDRWIO-UHFFFAOYSA-N 1 2 288.347 2.227 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726812 635486212 /nfs/dbraw/zinc/48/62/12/635486212.db2.gz VEMPGLMSLQDNPB-LBPRGKRZSA-N 1 2 277.698 2.248 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726812 635486219 /nfs/dbraw/zinc/48/62/19/635486219.db2.gz VEMPGLMSLQDNPB-LBPRGKRZSA-N 1 2 277.698 2.248 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000897200704 630986261 /nfs/dbraw/zinc/98/62/61/630986261.db2.gz AKJKOWMFSSUGSY-LLVKDONJSA-N 1 2 289.734 2.080 20 10 CECDLO CCN(CC)c1ccc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000800537999 631133919 /nfs/dbraw/zinc/13/39/19/631133919.db2.gz ILJHTPRADWPDIS-AWEZNQCLSA-N 1 2 289.423 2.195 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)cc1 ZINC000800537999 631133922 /nfs/dbraw/zinc/13/39/22/631133922.db2.gz ILJHTPRADWPDIS-AWEZNQCLSA-N 1 2 289.423 2.195 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898202811 632083761 /nfs/dbraw/zinc/08/37/61/632083761.db2.gz NQSGBDUWLATMBH-GFCCVEGCSA-N 1 2 273.735 2.435 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(O)CC1 ZINC000816482139 633397566 /nfs/dbraw/zinc/39/75/66/633397566.db2.gz WEIUUWJCTRFXEV-UHFFFAOYSA-N 1 2 259.708 2.141 20 10 CECDLO COC[C@H]1CC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000816636811 633453620 /nfs/dbraw/zinc/45/36/20/633453620.db2.gz ITQFIWVDYZGJKN-MRVPVSSYSA-N 1 2 259.708 2.405 20 10 CECDLO COC[C@H]1CC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000816636811 633453624 /nfs/dbraw/zinc/45/36/24/633453624.db2.gz ITQFIWVDYZGJKN-MRVPVSSYSA-N 1 2 259.708 2.405 20 10 CECDLO C[C@H](N[C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817942492 633790873 /nfs/dbraw/zinc/79/08/73/633790873.db2.gz ZZWDYNHNNAVDCA-WCBMZHEXSA-N 1 2 256.296 2.073 20 10 CECDLO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817984677 633826274 /nfs/dbraw/zinc/82/62/74/633826274.db2.gz XHCDINJMQCJRCB-GXSJLCMTSA-N 1 2 270.323 2.463 20 10 CECDLO C[C@@H](C[NH2+]Cc1cccc(Br)c1O)N(C)C ZINC000042412574 633974042 /nfs/dbraw/zinc/97/40/42/633974042.db2.gz SHFJPBAUINXIAC-VIFPVBQESA-N 1 2 287.201 2.194 20 10 CECDLO Cc1[nH]c(/C=C2\SC(N3CCCCC3)=NC2=O)[nH+]c1C ZINC000901436733 634113914 /nfs/dbraw/zinc/11/39/14/634113914.db2.gz ZHIJWACZFLZVOF-FLIBITNWSA-N 1 2 290.392 2.483 20 10 CECDLO CCn1nc(C)c(C[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000822494202 634931392 /nfs/dbraw/zinc/93/13/92/634931392.db2.gz JGDDGHDYKFSUEW-UHFFFAOYSA-N 1 2 280.759 2.255 20 10 CECDLO Cc1cc(O)c(C[NH2+][C@H](C)c2ncn(C)n2)cc1Cl ZINC000825621139 635678125 /nfs/dbraw/zinc/67/81/25/635678125.db2.gz JOVKVGKOSNRUIY-SECBINFHSA-N 1 2 280.759 2.333 20 10 CECDLO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)c2ncnn21 ZINC000826888588 635871829 /nfs/dbraw/zinc/87/18/29/635871829.db2.gz IWSBJGTVOUHZMX-KWQFWETISA-N 1 2 278.743 2.433 20 10 CECDLO Cc1nnc(C[N@@H+](C)Cc2cc(C)ccc2O)s1 ZINC000827806974 636428235 /nfs/dbraw/zinc/42/82/35/636428235.db2.gz YHKVRBYUYMXECD-UHFFFAOYSA-N 1 2 263.366 2.493 20 10 CECDLO Cc1nnc(C[N@H+](C)Cc2cc(C)ccc2O)s1 ZINC000827806974 636428245 /nfs/dbraw/zinc/42/82/45/636428245.db2.gz YHKVRBYUYMXECD-UHFFFAOYSA-N 1 2 263.366 2.493 20 10 CECDLO C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1O ZINC000827960894 636471447 /nfs/dbraw/zinc/47/14/47/636471447.db2.gz YHXWTMIHQZYWGU-LBPRGKRZSA-N 1 2 299.374 2.345 20 10 CECDLO CCOc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)C2)c(O)c1 ZINC000802652943 637255909 /nfs/dbraw/zinc/25/59/09/637255909.db2.gz HWAXZMSQQZWBMF-CYBMUJFWSA-N 1 2 287.306 2.257 20 10 CECDLO CCOc1ccc(C[N@H+]2CCO[C@@H](C(F)F)C2)c(O)c1 ZINC000802652943 637255913 /nfs/dbraw/zinc/25/59/13/637255913.db2.gz HWAXZMSQQZWBMF-CYBMUJFWSA-N 1 2 287.306 2.257 20 10 CECDLO CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000841088370 637703840 /nfs/dbraw/zinc/70/38/40/637703840.db2.gz ZJNZWLVBBJPFMD-NSHDSACASA-N 1 2 299.212 2.385 20 10 CECDLO C[C@H]1c2nncn2CC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835050956 638039607 /nfs/dbraw/zinc/03/96/07/638039607.db2.gz UGWHANUYIITNFI-WSNITJDQSA-N 1 2 297.406 2.434 20 10 CECDLO C[C@H]1c2nncn2CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835050956 638039615 /nfs/dbraw/zinc/03/96/15/638039615.db2.gz UGWHANUYIITNFI-WSNITJDQSA-N 1 2 297.406 2.434 20 10 CECDLO CCOC(=O)C[N@H+](Cc1cc2c(cc1O)CCC2)C1CC1 ZINC000102392680 638586325 /nfs/dbraw/zinc/58/63/25/638586325.db2.gz PHULYXXPUOICHQ-UHFFFAOYSA-N 1 2 289.375 2.408 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1cc2c(cc1O)CCC2)C1CC1 ZINC000102392680 638586331 /nfs/dbraw/zinc/58/63/31/638586331.db2.gz PHULYXXPUOICHQ-UHFFFAOYSA-N 1 2 289.375 2.408 20 10 CECDLO C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1(C[NH3+])CCC1 ZINC000843124996 640291129 /nfs/dbraw/zinc/29/11/29/640291129.db2.gz KUGNVUPYFXVHEA-UHFFFAOYSA-N 1 2 272.751 2.498 20 10 CECDLO C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1(C[NH3+])CCC1 ZINC000843124996 640291133 /nfs/dbraw/zinc/29/11/33/640291133.db2.gz KUGNVUPYFXVHEA-UHFFFAOYSA-N 1 2 272.751 2.498 20 10 CECDLO O=C1C[C@@H](C[NH2+]Cc2cccc(Cl)c2O)CN1C1CC1 ZINC000846071600 641173626 /nfs/dbraw/zinc/17/36/26/641173626.db2.gz GUNOCMLRCDNIBR-JTQLQIEISA-N 1 2 294.782 2.146 20 10 CECDLO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)[C@@H]1C ZINC000877465847 650731595 /nfs/dbraw/zinc/73/15/95/650731595.db2.gz BWDSSCRGXJQJRZ-PSASIEDQSA-N 1 2 285.290 2.054 20 10 CECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)[C@@H]1C ZINC000877465847 650731596 /nfs/dbraw/zinc/73/15/96/650731596.db2.gz BWDSSCRGXJQJRZ-PSASIEDQSA-N 1 2 285.290 2.054 20 10 CECDLO CCn1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)nn1 ZINC000850366904 642684342 /nfs/dbraw/zinc/68/43/42/642684342.db2.gz NKIUPVCIPNHYSH-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](O)C(F)(F)F ZINC000877693645 650853589 /nfs/dbraw/zinc/85/35/89/650853589.db2.gz MRBRHINHQSCMRF-LHLIQPBNSA-N 1 2 283.677 2.447 20 10 CECDLO CCCCN(Cc1ccccc1O)C(=O)Cc1[nH]cc[nH+]1 ZINC000854375224 644046513 /nfs/dbraw/zinc/04/65/13/644046513.db2.gz KCNRBIQOVNNYPD-UHFFFAOYSA-N 1 2 287.363 2.487 20 10 CECDLO Cn1cnc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000839147147 644157871 /nfs/dbraw/zinc/15/78/71/644157871.db2.gz DTEYGHBGRZNMKT-UHFFFAOYSA-N 1 2 283.734 2.251 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000854891740 644196641 /nfs/dbraw/zinc/19/66/41/644196641.db2.gz PWLQXXYGGKEJIL-CYBMUJFWSA-N 1 2 288.372 2.240 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000854891741 644197032 /nfs/dbraw/zinc/19/70/32/644197032.db2.gz PWLQXXYGGKEJIL-ZDUSSCGKSA-N 1 2 288.372 2.240 20 10 CECDLO O=C1OCC[C@H]1CCC[NH2+]Cc1cccc(Cl)c1O ZINC000877805366 650915613 /nfs/dbraw/zinc/91/56/13/650915613.db2.gz BRZABCOHGSHIJH-SNVBAGLBSA-N 1 2 283.755 2.479 20 10 CECDLO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2nnc(C)o2)c1O ZINC000755142875 644478568 /nfs/dbraw/zinc/47/85/68/644478568.db2.gz OAVAMSPBWSJBAF-ZETCQYMHSA-N 1 2 293.298 2.276 20 10 CECDLO C[C@H]([NH2+]C[C@H]1CCCN1C)c1cc(F)cc(F)c1O ZINC000756459814 644651519 /nfs/dbraw/zinc/65/15/19/644651519.db2.gz XNNIFJYWJQSJJG-GXSJLCMTSA-N 1 2 270.323 2.415 20 10 CECDLO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cc(F)cc(F)c1O ZINC000756459818 644651867 /nfs/dbraw/zinc/65/18/67/644651867.db2.gz XNNIFJYWJQSJJG-MWLCHTKSSA-N 1 2 270.323 2.415 20 10 CECDLO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C[NH2+]1 ZINC000863483989 646740209 /nfs/dbraw/zinc/74/02/09/646740209.db2.gz GECSVRRHAJEBPY-KOLCDFICSA-N 1 2 254.761 2.276 20 10 CECDLO OCC[N@@H+](Cc1cc(Cl)cc(F)c1O)CC1CC1 ZINC000775660311 646977439 /nfs/dbraw/zinc/97/74/39/646977439.db2.gz CWTSNWYYEPOIOH-UHFFFAOYSA-N 1 2 273.735 2.389 20 10 CECDLO OCC[N@H+](Cc1cc(Cl)cc(F)c1O)CC1CC1 ZINC000775660311 646977441 /nfs/dbraw/zinc/97/74/41/646977441.db2.gz CWTSNWYYEPOIOH-UHFFFAOYSA-N 1 2 273.735 2.389 20 10 CECDLO CCCN(Cc1ccccc1O)C(=O)Cc1c[nH+]cn1C ZINC000776344482 647050521 /nfs/dbraw/zinc/05/05/21/647050521.db2.gz SFKKKANPQBFSLS-UHFFFAOYSA-N 1 2 287.363 2.107 20 10 CECDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521222 647067631 /nfs/dbraw/zinc/06/76/31/647067631.db2.gz MTEGTTYOVKBNKL-ASCAZGACSA-N 1 2 293.791 2.384 20 10 CECDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521222 647067632 /nfs/dbraw/zinc/06/76/32/647067632.db2.gz MTEGTTYOVKBNKL-ASCAZGACSA-N 1 2 293.791 2.384 20 10 CECDLO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000776727556 647085419 /nfs/dbraw/zinc/08/54/19/647085419.db2.gz ZRVUSZJEQOARTB-UXBLZVDNSA-N 1 2 280.374 2.230 20 10 CECDLO C[C@H]([NH2+]CCCCCO)c1cc(F)cc(F)c1O ZINC000790498273 648422914 /nfs/dbraw/zinc/42/29/14/648422914.db2.gz QYGQWUMSIJJEKD-VIFPVBQESA-N 1 2 259.296 2.484 20 10 CECDLO CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000790937120 648462087 /nfs/dbraw/zinc/46/20/87/648462087.db2.gz ILEWJOYIRCRQCV-LLVKDONJSA-N 1 2 273.735 2.387 20 10 CECDLO CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@H]1O ZINC000790937120 648462088 /nfs/dbraw/zinc/46/20/88/648462088.db2.gz ILEWJOYIRCRQCV-LLVKDONJSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(Cl)c1O ZINC000124706668 649727521 /nfs/dbraw/zinc/72/75/21/649727521.db2.gz CLNFURASAYBPLR-JTQLQIEISA-N 1 2 265.744 2.420 20 10 CECDLO Cc1n[nH]cc1C[NH2+]Cc1cccc(Cl)c1O ZINC000124828952 649747646 /nfs/dbraw/zinc/74/76/46/649747646.db2.gz XJYLAGFQWLAIIF-UHFFFAOYSA-N 1 2 251.717 2.367 20 10 CECDLO Oc1cc(O)c(CCNc2ccn3cc[nH+]c3c2)cc1O ZINC001168009629 805684236 /nfs/dbraw/zinc/68/42/36/805684236.db2.gz MKOWPXYEPPHHKM-UHFFFAOYSA-N 1 2 285.303 2.106 20 10 CECDLO C[N@H+](Cc1c(F)ccc(F)c1[O-])C1CC[NH+](C)CC1 ZINC001139685779 804454378 /nfs/dbraw/zinc/45/43/78/804454378.db2.gz XAMYYLBFMQSUJC-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO C[N@@H+](Cc1c(F)ccc(F)c1[O-])C1CC[NH+](C)CC1 ZINC001139685779 804454384 /nfs/dbraw/zinc/45/43/84/804454384.db2.gz XAMYYLBFMQSUJC-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO Oc1cccc(F)c1C[NH+]1CCN(Cc2ccco2)CC1 ZINC001137837619 809781468 /nfs/dbraw/zinc/78/14/68/809781468.db2.gz NWNWKDVDNFBKSY-UHFFFAOYSA-N 1 2 290.338 2.442 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000708381440 809928538 /nfs/dbraw/zinc/92/85/38/809928538.db2.gz AUVITDCDMHHUTB-CQSZACIVSA-N 1 2 269.291 2.283 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000708381440 809928541 /nfs/dbraw/zinc/92/85/41/809928541.db2.gz AUVITDCDMHHUTB-CQSZACIVSA-N 1 2 269.291 2.283 20 10 CECDLO CN(C)C(C)(C)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708441766 809931516 /nfs/dbraw/zinc/93/15/16/809931516.db2.gz KZHTUSUYFUWZAO-UHFFFAOYSA-N 1 2 258.312 2.100 20 10 CECDLO CCCN1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000708516731 809943739 /nfs/dbraw/zinc/94/37/39/809943739.db2.gz KXAGALSYMMIXNF-LBPRGKRZSA-N 1 2 270.323 2.244 20 10 CECDLO Oc1ccc(CNc2ccc3c([nH+]2)CCOC3)cc1O ZINC001169990857 811854227 /nfs/dbraw/zinc/85/42/27/811854227.db2.gz RZNQGMQTUBHLNT-UHFFFAOYSA-N 1 2 272.304 2.178 20 10 CECDLO Cc1cc(NCC(=O)c2ccc(O)c(O)c2)c2[nH+]ccn2c1 ZINC001170314575 812384777 /nfs/dbraw/zinc/38/47/77/812384777.db2.gz FKICCKHISRGVAX-UHFFFAOYSA-N 1 2 297.314 2.349 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000384957719 813125832 /nfs/dbraw/zinc/12/58/32/813125832.db2.gz RCWKPYKVBCRYOH-PELKAZGASA-N 1 2 283.755 2.203 20 10 CECDLO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c(F)ccc(F)c1O ZINC001139682707 814727772 /nfs/dbraw/zinc/72/77/72/814727772.db2.gz BGTUSBJWATVOKL-HZMBPMFUSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c(F)ccc(F)c1O ZINC001139682707 814727777 /nfs/dbraw/zinc/72/77/77/814727777.db2.gz BGTUSBJWATVOKL-HZMBPMFUSA-N 1 2 282.334 2.196 20 10 CECDLO C[NH+](C)[C@H]1CCCN(Cc2c(F)ccc(F)c2O)C1 ZINC001139684728 814757330 /nfs/dbraw/zinc/75/73/30/814757330.db2.gz PFGVFDRMLSRSAK-JTQLQIEISA-N 1 2 270.323 2.196 20 10 CECDLO CCOc1ccc(N2CC[NH+](Cc3cncnc3)CC2)cc1 ZINC001137671208 815662942 /nfs/dbraw/zinc/66/29/42/815662942.db2.gz ATNFFGCOKNNZRE-UHFFFAOYSA-N 1 2 298.390 2.198 20 10 CECDLO Cc1cc(C[N@@H+]2CCNC(=O)[C@H]2C)c(C)n1-c1ccccc1 ZINC001137858048 815698575 /nfs/dbraw/zinc/69/85/75/815698575.db2.gz USOSHVLZPAVYDB-OAHLLOKOSA-N 1 2 297.402 2.414 20 10 CECDLO Cc1cc(C[N@H+]2CCNC(=O)[C@H]2C)c(C)n1-c1ccccc1 ZINC001137858048 815698577 /nfs/dbraw/zinc/69/85/77/815698577.db2.gz USOSHVLZPAVYDB-OAHLLOKOSA-N 1 2 297.402 2.414 20 10 CECDLO C[N@@H+]1CCN(Cc2c(F)ccc(F)c2O)CC1(C)C ZINC001139686018 816081043 /nfs/dbraw/zinc/08/10/43/816081043.db2.gz JUKSUBYDJIDICR-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO C[N@H+]1CCN(Cc2c(F)ccc(F)c2O)CC1(C)C ZINC001139686018 816081048 /nfs/dbraw/zinc/08/10/48/816081048.db2.gz JUKSUBYDJIDICR-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO CC[N@H+](Cc1c(F)ccc(F)c1O)CC(C)(C)O ZINC001139686142 816084030 /nfs/dbraw/zinc/08/40/30/816084030.db2.gz OYKFXAJBWPRKPU-UHFFFAOYSA-N 1 2 259.296 2.263 20 10 CECDLO CC[N@@H+](Cc1c(F)ccc(F)c1O)CC(C)(C)O ZINC001139686142 816084038 /nfs/dbraw/zinc/08/40/38/816084038.db2.gz OYKFXAJBWPRKPU-UHFFFAOYSA-N 1 2 259.296 2.263 20 10 CECDLO CC(=O)N1CC[N@H+](Cc2c(O)cccc2Cl)[C@@H](C)C1 ZINC001140342100 816237424 /nfs/dbraw/zinc/23/74/24/816237424.db2.gz UYIYMNPYXIJFQY-JTQLQIEISA-N 1 2 282.771 2.098 20 10 CECDLO CC(=O)N1CC[N@@H+](Cc2c(O)cccc2Cl)[C@@H](C)C1 ZINC001140342100 816237426 /nfs/dbraw/zinc/23/74/26/816237426.db2.gz UYIYMNPYXIJFQY-JTQLQIEISA-N 1 2 282.771 2.098 20 10 CECDLO OCC[C@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583274 816290155 /nfs/dbraw/zinc/29/01/55/816290155.db2.gz CIDZQVLMZBBNGK-SNVBAGLBSA-N 1 2 271.307 2.265 20 10 CECDLO OCC[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583274 816290158 /nfs/dbraw/zinc/29/01/58/816290158.db2.gz CIDZQVLMZBBNGK-SNVBAGLBSA-N 1 2 271.307 2.265 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCCC[C@H](O)C1 ZINC001140582784 816290893 /nfs/dbraw/zinc/29/08/93/816290893.db2.gz MXNQRXGIAAMEJF-JTQLQIEISA-N 1 2 257.280 2.017 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCCC[C@H](O)C1 ZINC001140582784 816290898 /nfs/dbraw/zinc/29/08/98/816290898.db2.gz MXNQRXGIAAMEJF-JTQLQIEISA-N 1 2 257.280 2.017 20 10 CECDLO OCC[C@@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583273 816292006 /nfs/dbraw/zinc/29/20/06/816292006.db2.gz CIDZQVLMZBBNGK-JTQLQIEISA-N 1 2 271.307 2.265 20 10 CECDLO OCC[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583273 816292012 /nfs/dbraw/zinc/29/20/12/816292012.db2.gz CIDZQVLMZBBNGK-JTQLQIEISA-N 1 2 271.307 2.265 20 10 CECDLO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583841 816293453 /nfs/dbraw/zinc/29/34/53/816293453.db2.gz VQZQXCVOLYTZCY-ZJUUUORDSA-N 1 2 299.317 2.301 20 10 CECDLO COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583841 816293457 /nfs/dbraw/zinc/29/34/57/816293457.db2.gz VQZQXCVOLYTZCY-ZJUUUORDSA-N 1 2 299.317 2.301 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)OC[C@H]2C)c1O ZINC000037323455 361903354 /nfs/dbraw/zinc/90/33/54/361903354.db2.gz HGGGFZFMYJEXCI-ZJUUUORDSA-N 1 2 281.327 2.343 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1O ZINC000037323455 361903356 /nfs/dbraw/zinc/90/33/56/361903356.db2.gz HGGGFZFMYJEXCI-ZJUUUORDSA-N 1 2 281.327 2.343 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOCC23CCC3)c1O ZINC000135511378 366448960 /nfs/dbraw/zinc/44/89/60/366448960.db2.gz SGWGPQDLLVUKNB-UHFFFAOYSA-N 1 2 293.338 2.489 20 10 CECDLO OCCO[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180175730 368369907 /nfs/dbraw/zinc/36/99/07/368369907.db2.gz VZQRWYJKPOHIEG-GFCCVEGCSA-N 1 2 285.771 2.019 20 10 CECDLO OCCO[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180175730 368369910 /nfs/dbraw/zinc/36/99/10/368369910.db2.gz VZQRWYJKPOHIEG-GFCCVEGCSA-N 1 2 285.771 2.019 20 10 CECDLO C[C@H](O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180853885 368399793 /nfs/dbraw/zinc/39/97/93/368399793.db2.gz QJYPRXPLJIEKTG-VHSXEESVSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180853885 368399799 /nfs/dbraw/zinc/39/97/99/368399799.db2.gz QJYPRXPLJIEKTG-VHSXEESVSA-N 1 2 255.745 2.248 20 10 CECDLO COc1ccc(O)c(C[N@H+](C)Cc2ncc(Cl)n2C)c1 ZINC000181143839 368425511 /nfs/dbraw/zinc/42/55/11/368425511.db2.gz SPSPSLWUBDBASN-UHFFFAOYSA-N 1 2 295.770 2.420 20 10 CECDLO COc1ccc(O)c(C[N@@H+](C)Cc2ncc(Cl)n2C)c1 ZINC000181143839 368425519 /nfs/dbraw/zinc/42/55/19/368425519.db2.gz SPSPSLWUBDBASN-UHFFFAOYSA-N 1 2 295.770 2.420 20 10 CECDLO C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187755810 369216173 /nfs/dbraw/zinc/21/61/73/369216173.db2.gz JMFKMDVSEZACOI-IUCAKERBSA-N 1 2 259.296 2.482 20 10 CECDLO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2O)C1=O ZINC000187784413 369221478 /nfs/dbraw/zinc/22/14/78/369221478.db2.gz VREDKPUJCTVFGL-JOYOIKCWSA-N 1 2 298.333 2.330 20 10 CECDLO CCOC(=O)[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@H](C)CC ZINC000187870737 369240519 /nfs/dbraw/zinc/24/05/19/369240519.db2.gz JXCIEGJQKHQGIH-RISCZKNCSA-N 1 2 295.379 2.468 20 10 CECDLO COCCO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000188822480 369413702 /nfs/dbraw/zinc/41/37/02/369413702.db2.gz BDFFASQGVBDFCF-GFCCVEGCSA-N 1 2 285.771 2.283 20 10 CECDLO COCCO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000188822480 369413706 /nfs/dbraw/zinc/41/37/06/369413706.db2.gz BDFFASQGVBDFCF-GFCCVEGCSA-N 1 2 285.771 2.283 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CCN(CC(C)C)C(=O)C2)c1 ZINC000190103438 369596300 /nfs/dbraw/zinc/59/63/00/369596300.db2.gz IQIIJAARNLROET-UHFFFAOYSA-N 1 2 276.380 2.001 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CCN(CC(C)C)C(=O)C2)c1 ZINC000190103438 369596304 /nfs/dbraw/zinc/59/63/04/369596304.db2.gz IQIIJAARNLROET-UHFFFAOYSA-N 1 2 276.380 2.001 20 10 CECDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000191714612 369736449 /nfs/dbraw/zinc/73/64/49/369736449.db2.gz YSWGCAGYAWOWEU-LLVKDONJSA-N 1 2 293.363 2.317 20 10 CECDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000191714612 369736453 /nfs/dbraw/zinc/73/64/53/369736453.db2.gz YSWGCAGYAWOWEU-LLVKDONJSA-N 1 2 293.363 2.317 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000195018145 370096214 /nfs/dbraw/zinc/09/62/14/370096214.db2.gz HLKWOBBPABZNKS-AWEZNQCLSA-N 1 2 283.755 2.037 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000195018145 370096216 /nfs/dbraw/zinc/09/62/16/370096216.db2.gz HLKWOBBPABZNKS-AWEZNQCLSA-N 1 2 283.755 2.037 20 10 CECDLO C[C@H]1CC[S@@](=O)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000365442379 372861168 /nfs/dbraw/zinc/86/11/68/372861168.db2.gz JWRXJAHHMXFBRZ-FKIZINRSSA-N 1 2 298.427 2.235 20 10 CECDLO C[C@H]1CC[S@@](=O)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000365442379 372861174 /nfs/dbraw/zinc/86/11/74/372861174.db2.gz JWRXJAHHMXFBRZ-FKIZINRSSA-N 1 2 298.427 2.235 20 10 CECDLO CCOc1cccc(C[N@H+](C)Cc2ccon2)c1O ZINC000271221993 373185030 /nfs/dbraw/zinc/18/50/30/373185030.db2.gz ZXFZQAZVQNBDPJ-UHFFFAOYSA-N 1 2 262.309 2.411 20 10 CECDLO CCOc1cccc(C[N@@H+](C)Cc2ccon2)c1O ZINC000271221993 373185037 /nfs/dbraw/zinc/18/50/37/373185037.db2.gz ZXFZQAZVQNBDPJ-UHFFFAOYSA-N 1 2 262.309 2.411 20 10 CECDLO CC[C@H]([NH2+][C@H](CO)CCOC)c1cccc(Cl)c1O ZINC000287055931 376140386 /nfs/dbraw/zinc/14/03/86/376140386.db2.gz NENGKEULSVCQFM-GWCFXTLKSA-N 1 2 287.787 2.484 20 10 CECDLO Cc1nccnc1CC[NH2+]Cc1cccc(Cl)c1O ZINC000293619560 377659767 /nfs/dbraw/zinc/65/97/67/377659767.db2.gz KOQNKKXRSMWXIZ-UHFFFAOYSA-N 1 2 277.755 2.476 20 10 CECDLO COCCOCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294185879 377932706 /nfs/dbraw/zinc/93/27/06/377932706.db2.gz JZXPUCVCFPZVTO-UHFFFAOYSA-N 1 2 291.750 2.327 20 10 CECDLO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(F)c(F)c1O ZINC000296659062 378608419 /nfs/dbraw/zinc/60/84/19/378608419.db2.gz ZPRBHFHHCVUVPK-BBBLOLIVSA-N 1 2 271.307 2.482 20 10 CECDLO CCOC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000529664264 380182263 /nfs/dbraw/zinc/18/22/63/380182263.db2.gz CBJQHTZVNMZAEE-ZDUSSCGKSA-N 1 2 285.771 2.283 20 10 CECDLO CCOC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCO1 ZINC000529664264 380182268 /nfs/dbraw/zinc/18/22/68/380182268.db2.gz CBJQHTZVNMZAEE-ZDUSSCGKSA-N 1 2 285.771 2.283 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCN(C2CC2)c2ccccc21 ZINC000492776035 380684490 /nfs/dbraw/zinc/68/44/90/380684490.db2.gz YRTYCTMLAQGUPX-YVMONPNESA-N 1 2 294.358 2.439 20 10 CECDLO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@](=O)C1 ZINC000277434135 394821258 /nfs/dbraw/zinc/82/12/58/394821258.db2.gz JRAZDKYESPOOOZ-ODXCJYRJSA-N 1 2 298.427 2.092 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@](=O)C1 ZINC000277434135 394821261 /nfs/dbraw/zinc/82/12/61/394821261.db2.gz JRAZDKYESPOOOZ-ODXCJYRJSA-N 1 2 298.427 2.092 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(Br)ccc2O)CCO1 ZINC000132477719 394931441 /nfs/dbraw/zinc/93/14/41/394931441.db2.gz RILUYMCRAZKUSL-SECBINFHSA-N 1 2 286.169 2.375 20 10 CECDLO C[S@@](=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000281655118 400319064 /nfs/dbraw/zinc/31/90/64/400319064.db2.gz BWBLDJHQAOCKHU-QGZVFWFLSA-N 1 2 273.785 2.046 20 10 CECDLO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187722814 279923949 /nfs/dbraw/zinc/92/39/49/279923949.db2.gz NFCOUHCNHADLGC-KWQFWETISA-N 1 2 259.296 2.338 20 10 CECDLO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187827852 327860475 /nfs/dbraw/zinc/86/04/75/327860475.db2.gz GQZDNTHCVVZMME-QMMMGPOBSA-N 1 2 286.322 2.093 20 10 CECDLO COc1ccc2c(c1)CCCC[N@H+]2CCCNC(C)=O ZINC000378337037 329046358 /nfs/dbraw/zinc/04/63/58/329046358.db2.gz ILICNPRIWPGALS-UHFFFAOYSA-N 1 2 276.380 2.364 20 10 CECDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCNC(C)=O ZINC000378337037 329046359 /nfs/dbraw/zinc/04/63/59/329046359.db2.gz ILICNPRIWPGALS-UHFFFAOYSA-N 1 2 276.380 2.364 20 10 CECDLO Cc1c(C[NH2+]Cc2cccc(Cl)c2O)cnn1C ZINC000224941230 329248541 /nfs/dbraw/zinc/24/85/41/329248541.db2.gz WICMSAIFQDBSMB-UHFFFAOYSA-N 1 2 265.744 2.377 20 10 CECDLO CC(C)N1C[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1=O ZINC000276898527 519697892 /nfs/dbraw/zinc/69/78/92/519697892.db2.gz ISWRPQBSDVKHPX-NXEZZACHSA-N 1 2 298.333 2.330 20 10 CECDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000080263234 522746933 /nfs/dbraw/zinc/74/69/33/522746933.db2.gz HFSKRQMGVAMFSB-LBPRGKRZSA-N 1 2 292.291 2.371 20 10 CECDLO CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000234888618 523996063 /nfs/dbraw/zinc/99/60/63/523996063.db2.gz VQKYPDCQZGSHNW-LBPRGKRZSA-N 1 2 283.755 2.469 20 10 CECDLO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000234888618 523996065 /nfs/dbraw/zinc/99/60/65/523996065.db2.gz VQKYPDCQZGSHNW-LBPRGKRZSA-N 1 2 283.755 2.469 20 10 CECDLO C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298357 525347743 /nfs/dbraw/zinc/34/77/43/525347743.db2.gz AQEKASMIVSVIOE-NSHDSACASA-N 1 2 290.323 2.238 20 10 CECDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000729683824 574490606 /nfs/dbraw/zinc/49/06/06/574490606.db2.gz BWXOTXCJWDWFAX-SNVBAGLBSA-N 1 2 260.341 2.295 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000732285066 574618013 /nfs/dbraw/zinc/61/80/13/574618013.db2.gz PLOIYHZBTGHMMB-VIFPVBQESA-N 1 2 277.349 2.197 20 10 CECDLO Cc1cc(C(=O)NCc2c[nH+]c[nH]2)c(C)n1-c1ccccn1 ZINC000748322115 575183049 /nfs/dbraw/zinc/18/30/49/575183049.db2.gz KUBTYMPCKONUIX-UHFFFAOYSA-N 1 2 295.346 2.142 20 10 CECDLO Cc1cc(C(=O)NCc2c[nH]c[nH+]2)c(C)n1-c1ccccn1 ZINC000748322115 575183051 /nfs/dbraw/zinc/18/30/51/575183051.db2.gz KUBTYMPCKONUIX-UHFFFAOYSA-N 1 2 295.346 2.142 20 10 CECDLO CNc1cc(NCc2ccc(N(C)C)cc2)nc[nH+]1 ZINC000891579230 623800569 /nfs/dbraw/zinc/80/05/69/623800569.db2.gz USSRULPJJZMRRI-UHFFFAOYSA-N 1 2 257.341 2.196 20 10 CECDLO CNc1cc(NCc2ccc(N(C)C)cc2)[nH+]cn1 ZINC000891579230 623800578 /nfs/dbraw/zinc/80/05/78/623800578.db2.gz USSRULPJJZMRRI-UHFFFAOYSA-N 1 2 257.341 2.196 20 10 CECDLO CC(=O)c1cc(C[N@@H+](C)Cc2ccccc2O)on1 ZINC000821390633 634707075 /nfs/dbraw/zinc/70/70/75/634707075.db2.gz CFOIINQCIKFOIJ-UHFFFAOYSA-N 1 2 260.293 2.215 20 10 CECDLO CC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)on1 ZINC000821390633 634707079 /nfs/dbraw/zinc/70/70/79/634707079.db2.gz CFOIINQCIKFOIJ-UHFFFAOYSA-N 1 2 260.293 2.215 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+](C1CC1)C1COC1 ZINC000894868877 629707191 /nfs/dbraw/zinc/70/71/91/629707191.db2.gz KLPVJQLNPADBBW-UHFFFAOYSA-N 1 2 255.264 2.034 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+](C1CC1)C1COC1 ZINC000894868877 629707193 /nfs/dbraw/zinc/70/71/93/629707193.db2.gz KLPVJQLNPADBBW-UHFFFAOYSA-N 1 2 255.264 2.034 20 10 CECDLO CC(C)[N@@H+](Cc1cc(F)cc(F)c1O)C[C@H]1CCC(=O)N1 ZINC000895015849 629798183 /nfs/dbraw/zinc/79/81/83/629798183.db2.gz ZWNLBLOVMVGAKY-GFCCVEGCSA-N 1 2 298.333 2.159 20 10 CECDLO CC(C)[N@H+](Cc1cc(F)cc(F)c1O)C[C@H]1CCC(=O)N1 ZINC000895015849 629798189 /nfs/dbraw/zinc/79/81/89/629798189.db2.gz ZWNLBLOVMVGAKY-GFCCVEGCSA-N 1 2 298.333 2.159 20 10 CECDLO COc1ccc(C[NH2+][C@H](C)C(F)F)c(O)c1OC ZINC000896038722 630448177 /nfs/dbraw/zinc/44/81/77/630448177.db2.gz WBDQBXBYTUXBLU-SSDOTTSWSA-N 1 2 261.268 2.153 20 10 CECDLO Oc1cccc(F)c1C[NH2+]Cc1nccn1C1CC1 ZINC000896640517 630622722 /nfs/dbraw/zinc/62/27/22/630622722.db2.gz RHHDZMSNYRZTAZ-UHFFFAOYSA-N 1 2 261.300 2.353 20 10 CECDLO Oc1cccc(F)c1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000896639481 630622726 /nfs/dbraw/zinc/62/27/26/630622726.db2.gz VEHINFLRDAABSX-UHFFFAOYSA-N 1 2 275.327 2.354 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726138 635485687 /nfs/dbraw/zinc/48/56/87/635485687.db2.gz GHHQKXMEABFOBT-GFCCVEGCSA-N 1 2 295.688 2.387 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726138 635485691 /nfs/dbraw/zinc/48/56/91/635485691.db2.gz GHHQKXMEABFOBT-GFCCVEGCSA-N 1 2 295.688 2.387 20 10 CECDLO Cc1cc(Br)c([O-])c(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904449104 635640819 /nfs/dbraw/zinc/64/08/19/635640819.db2.gz GQBJZFFDQOOBIP-UHFFFAOYSA-N 1 2 285.185 2.044 20 10 CECDLO OC[C@H](C[NH2+]Cc1cccc(Cl)c1O)c1cccnc1 ZINC000809778936 632144321 /nfs/dbraw/zinc/14/43/21/632144321.db2.gz YENWUQDHRJISNG-ZDUSSCGKSA-N 1 2 292.766 2.306 20 10 CECDLO Cc1cc(C[NH2+][C@H](C)c2ncn(C)n2)ccc1N(C)C ZINC000815099482 632958844 /nfs/dbraw/zinc/95/88/44/632958844.db2.gz XEGDDLCUHNNNPA-GFCCVEGCSA-N 1 2 273.384 2.040 20 10 CECDLO CO[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1OC ZINC000816591334 633418722 /nfs/dbraw/zinc/41/87/22/633418722.db2.gz BPBQZBVYFMLLLA-BETUJISGSA-N 1 2 289.734 2.030 20 10 CECDLO CO[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@H]1OC ZINC000816591334 633418723 /nfs/dbraw/zinc/41/87/23/633418723.db2.gz BPBQZBVYFMLLLA-BETUJISGSA-N 1 2 289.734 2.030 20 10 CECDLO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000817415506 633655184 /nfs/dbraw/zinc/65/51/84/633655184.db2.gz XYRHDMCTJDDMMK-MWLCHTKSSA-N 1 2 255.745 2.391 20 10 CECDLO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cccc(Cl)c1O ZINC000817415506 633655188 /nfs/dbraw/zinc/65/51/88/633655188.db2.gz XYRHDMCTJDDMMK-MWLCHTKSSA-N 1 2 255.745 2.391 20 10 CECDLO C[NH2+]CCN[C@H](C)c1cc(Br)cc(F)c1O ZINC000817952113 633796532 /nfs/dbraw/zinc/79/65/32/633796532.db2.gz NKLHHLCPHCCGOV-SSDOTTSWSA-N 1 2 291.164 2.164 20 10 CECDLO Cc1nnc(C[N@@H+](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000827039137 636194821 /nfs/dbraw/zinc/19/48/21/636194821.db2.gz IAXPGDQVNJJDJL-UHFFFAOYSA-N 1 2 274.368 2.384 20 10 CECDLO Cc1nnc(C[N@H+](C)Cc2ccc(N(C)C)cc2C)o1 ZINC000827039137 636194827 /nfs/dbraw/zinc/19/48/27/636194827.db2.gz IAXPGDQVNJJDJL-UHFFFAOYSA-N 1 2 274.368 2.384 20 10 CECDLO COc1cccc(C[N@@H+]2CCCc3[nH]ncc3C2)c1O ZINC000828013538 636486486 /nfs/dbraw/zinc/48/64/86/636486486.db2.gz DCNKIHVGDKXNRK-UHFFFAOYSA-N 1 2 273.336 2.072 20 10 CECDLO COc1cccc(C[N@H+]2CCCc3[nH]ncc3C2)c1O ZINC000828013538 636486488 /nfs/dbraw/zinc/48/64/88/636486488.db2.gz DCNKIHVGDKXNRK-UHFFFAOYSA-N 1 2 273.336 2.072 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1nnc2n1CCC2 ZINC000840909336 639582060 /nfs/dbraw/zinc/58/20/60/639582060.db2.gz HKBNKJSKKBNFLK-UHFFFAOYSA-N 1 2 299.422 2.231 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@@H+](C)Cc1nnc2n1CCC2 ZINC000840909336 639582065 /nfs/dbraw/zinc/58/20/65/639582065.db2.gz HKBNKJSKKBNFLK-UHFFFAOYSA-N 1 2 299.422 2.231 20 10 CECDLO COC(=O)[C@@H](CC1CC1)[NH2+]Cc1cccc(C)c1O ZINC000840957010 639601479 /nfs/dbraw/zinc/60/14/79/639601479.db2.gz GVGWAAYTHKSYNY-CYBMUJFWSA-N 1 2 263.337 2.132 20 10 CECDLO CC[NH2+]CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841037768 639628417 /nfs/dbraw/zinc/62/84/17/639628417.db2.gz VGOQBHQNYRYJHL-UHFFFAOYSA-N 1 2 263.168 2.398 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC000230635060 639775895 /nfs/dbraw/zinc/77/58/95/639775895.db2.gz VTBQXRCTSKGYLT-LKFCYVNXSA-N 1 2 297.782 2.451 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC000230635060 639775899 /nfs/dbraw/zinc/77/58/99/639775899.db2.gz VTBQXRCTSKGYLT-LKFCYVNXSA-N 1 2 297.782 2.451 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC2(COC2)C1 ZINC000827644671 639985935 /nfs/dbraw/zinc/98/59/35/639985935.db2.gz QHDUBTYCEHJNFS-UHFFFAOYSA-N 1 2 271.719 2.407 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC2(COC2)C1 ZINC000827644671 639985936 /nfs/dbraw/zinc/98/59/36/639985936.db2.gz QHDUBTYCEHJNFS-UHFFFAOYSA-N 1 2 271.719 2.407 20 10 CECDLO Cc1cccc(O)c1CNc1ccc(N(C)CCO)c[nH+]1 ZINC000877095817 650570110 /nfs/dbraw/zinc/57/01/10/650570110.db2.gz SAMSKWUPIINUGI-UHFFFAOYSA-N 1 2 287.363 2.136 20 10 CECDLO COc1ccc(N(C)CC[N@H+](C)Cc2ncccn2)cc1 ZINC000844400845 640708542 /nfs/dbraw/zinc/70/85/42/640708542.db2.gz FRLARSHODREOFX-UHFFFAOYSA-N 1 2 286.379 2.053 20 10 CECDLO COc1ccc(N(C)CC[N@@H+](C)Cc2ncccn2)cc1 ZINC000844400845 640708543 /nfs/dbraw/zinc/70/85/43/640708543.db2.gz FRLARSHODREOFX-UHFFFAOYSA-N 1 2 286.379 2.053 20 10 CECDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCc1cc(Cl)ccc1O ZINC000848242438 641932284 /nfs/dbraw/zinc/93/22/84/641932284.db2.gz GJOBKTXHIUXQRK-SECBINFHSA-N 1 2 293.754 2.264 20 10 CECDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(Cl)ccc1O ZINC000848242438 641932288 /nfs/dbraw/zinc/93/22/88/641932288.db2.gz GJOBKTXHIUXQRK-SECBINFHSA-N 1 2 293.754 2.264 20 10 CECDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)[C@@H](C)C[N@@H+]1C ZINC000877407470 650710063 /nfs/dbraw/zinc/71/00/63/650710063.db2.gz RHHIUNXDXKYXAW-ZJUUUORDSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@@H]1CN(Cc2ccc(F)c(F)c2O)[C@@H](C)C[N@H+]1C ZINC000877407470 650710064 /nfs/dbraw/zinc/71/00/64/650710064.db2.gz RHHIUNXDXKYXAW-ZJUUUORDSA-N 1 2 270.323 2.195 20 10 CECDLO Oc1c(C[NH+]2CCC(O)(C(F)F)CC2)ccc(F)c1F ZINC000877437773 650722401 /nfs/dbraw/zinc/72/24/01/650722401.db2.gz VOGCFPFQJWWDAV-UHFFFAOYSA-N 1 2 293.260 2.262 20 10 CECDLO C[C@@H]([NH2+]C[C@H](C)O)c1cc(Br)cc(F)c1O ZINC000134899420 642116843 /nfs/dbraw/zinc/11/68/43/642116843.db2.gz YUYZSWHBMHJHRX-NKWVEPMBSA-N 1 2 292.148 2.325 20 10 CECDLO C[C@@H]1C[NH+]=C(NCc2cc(Cl)cc(Cl)c2O)N1 ZINC000849028163 642241482 /nfs/dbraw/zinc/24/14/82/642241482.db2.gz DAXHSSZLNQDYQF-ZCFIWIBFSA-N 1 2 274.151 2.136 20 10 CECDLO COc1ccc(N2CC[C@@H]([NH2+]Cc3cn[nH]c3C)C2)cc1 ZINC000850345599 642674577 /nfs/dbraw/zinc/67/45/77/642674577.db2.gz FSWBFRIHEMNTDC-CQSZACIVSA-N 1 2 286.379 2.095 20 10 CECDLO C[C@H](NCC12CC(C1)C[NH2+]2)c1cc(F)cc(F)c1O ZINC000854227378 644016678 /nfs/dbraw/zinc/01/66/78/644016678.db2.gz NUMOUIBRDDDNTL-JUXJKVCFSA-N 1 2 268.307 2.073 20 10 CECDLO COCCCOC1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000839132953 644168902 /nfs/dbraw/zinc/16/89/02/644168902.db2.gz ICJKFGNDKXWVNU-UHFFFAOYSA-N 1 2 285.771 2.283 20 10 CECDLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccnn1C ZINC000877761330 650900922 /nfs/dbraw/zinc/90/09/22/650900922.db2.gz FNLSRCUDCWNBMH-QMMMGPOBSA-N 1 2 267.279 2.255 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ncnn1C ZINC000788983939 644248210 /nfs/dbraw/zinc/24/82/10/644248210.db2.gz PDIGLSXGYMHENW-JGVFFNPUSA-N 1 2 282.294 2.211 20 10 CECDLO CCCNC(=O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756459477 644651817 /nfs/dbraw/zinc/65/18/17/644651817.db2.gz NQHRGLWBCHWEPV-SECBINFHSA-N 1 2 286.322 2.237 20 10 CECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccon2)c1 ZINC000756639295 644676954 /nfs/dbraw/zinc/67/69/54/644676954.db2.gz ZWPQQFZAXWNQCM-VIFPVBQESA-N 1 2 276.292 2.018 20 10 CECDLO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000757655794 644831426 /nfs/dbraw/zinc/83/14/26/644831426.db2.gz KZOSECAAQBWSSE-VGMNWLOBSA-N 1 2 259.296 2.480 20 10 CECDLO CCn1ncc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)n1 ZINC000858443006 645161130 /nfs/dbraw/zinc/16/11/30/645161130.db2.gz ALKOWCDOZACDTM-MRVPVSSYSA-N 1 2 282.294 2.133 20 10 CECDLO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1O ZINC000863546635 646753846 /nfs/dbraw/zinc/75/38/46/646753846.db2.gz MBVUPWOYGJDFRM-CKYFFXLPSA-N 1 2 252.333 2.322 20 10 CECDLO CCN(CC)c1ccc(CNc2nc(C)[nH+]c(N)n2)cc1 ZINC000865450300 647298819 /nfs/dbraw/zinc/29/88/19/647298819.db2.gz KUYGMDRZZKRFPT-UHFFFAOYSA-N 1 2 286.383 2.221 20 10 CECDLO C[N@H+](CCCCO)Cc1cccc(Br)c1O ZINC000788269335 648167007 /nfs/dbraw/zinc/16/70/07/648167007.db2.gz PVTJFQAOKAMCAK-UHFFFAOYSA-N 1 2 288.185 2.359 20 10 CECDLO C[N@@H+](CCCCO)Cc1cccc(Br)c1O ZINC000788269335 648167011 /nfs/dbraw/zinc/16/70/11/648167011.db2.gz PVTJFQAOKAMCAK-UHFFFAOYSA-N 1 2 288.185 2.359 20 10 CECDLO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(F)cc(F)c1O ZINC000788984320 648241868 /nfs/dbraw/zinc/24/18/68/648241868.db2.gz KNXPSXHCAJWXTA-QXEWZRGKSA-N 1 2 271.307 2.482 20 10 CECDLO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000792199262 648624126 /nfs/dbraw/zinc/62/41/26/648624126.db2.gz CPULOKWYTGZIDT-KOLCDFICSA-N 1 2 283.755 2.477 20 10 CECDLO CC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000124671164 649722968 /nfs/dbraw/zinc/72/29/68/649722968.db2.gz DQCAUGRJKMMJRA-UHFFFAOYSA-N 1 2 282.771 2.146 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccn(C)n1 ZINC000883145171 652377918 /nfs/dbraw/zinc/37/79/18/652377918.db2.gz QJEZKCXSVLSYEY-MRVPVSSYSA-N 1 2 267.279 2.255 20 10 CECDLO CC(F)(F)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000697659604 806648677 /nfs/dbraw/zinc/64/86/77/806648677.db2.gz IZJHZRSNWZQLMK-UHFFFAOYSA-N 1 2 270.323 2.268 20 10 CECDLO CN1C[C@H](CC[NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000723593039 802895129 /nfs/dbraw/zinc/89/51/29/802895129.db2.gz AQTKJCXZVKWRQV-SNVBAGLBSA-N 1 2 282.771 2.004 20 10 CECDLO Oc1cccc(F)c1C[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001137838773 809811262 /nfs/dbraw/zinc/81/12/62/809811262.db2.gz KJBAVJDXJIFURB-UHFFFAOYSA-N 1 2 286.297 2.057 20 10 CECDLO CC(C)[C@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000709021840 809939822 /nfs/dbraw/zinc/93/98/22/809939822.db2.gz TVJRZWJXQRSRLM-CYBMUJFWSA-N 1 2 253.317 2.388 20 10 CECDLO CC(C)[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000709021840 809939825 /nfs/dbraw/zinc/93/98/25/809939825.db2.gz TVJRZWJXQRSRLM-CYBMUJFWSA-N 1 2 253.317 2.388 20 10 CECDLO CCN1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708504698 809944636 /nfs/dbraw/zinc/94/46/36/809944636.db2.gz UILJPHKCGXGBGI-GFCCVEGCSA-N 1 2 270.323 2.244 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)[C@H]1CCOC1 ZINC001139127010 812116086 /nfs/dbraw/zinc/11/60/86/812116086.db2.gz AUJNXJFJVZXFAB-NSHDSACASA-N 1 2 289.331 2.028 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)[C@H]1CCOC1 ZINC001139127010 812116088 /nfs/dbraw/zinc/11/60/88/812116088.db2.gz AUJNXJFJVZXFAB-NSHDSACASA-N 1 2 289.331 2.028 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000388201525 813231533 /nfs/dbraw/zinc/23/15/33/813231533.db2.gz SETBJLIDWUZGBW-OQPBUACISA-N 1 2 283.755 2.061 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000388201525 813231540 /nfs/dbraw/zinc/23/15/40/813231540.db2.gz SETBJLIDWUZGBW-OQPBUACISA-N 1 2 283.755 2.061 20 10 CECDLO Cc1nnc([C@H](C)[NH2+]Cc2c(O)cccc2Cl)[nH]1 ZINC000392455911 813304012 /nfs/dbraw/zinc/30/40/12/813304012.db2.gz JATIDGNHJOTHGO-ZETCQYMHSA-N 1 2 266.732 2.323 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)CC1(F)F ZINC001144504330 814092556 /nfs/dbraw/zinc/09/25/56/814092556.db2.gz PRZBFHIAPHWEDO-MRVPVSSYSA-N 1 2 273.279 2.281 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2c(O)cc(O)cc2O)CC1(F)F ZINC001144504330 814092561 /nfs/dbraw/zinc/09/25/61/814092561.db2.gz PRZBFHIAPHWEDO-MRVPVSSYSA-N 1 2 273.279 2.281 20 10 CECDLO CC(C)[NH+]1CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139685639 816077345 /nfs/dbraw/zinc/07/73/45/816077345.db2.gz RDEGYAMKZYTSSW-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CC([NH+]2CCCCC2)C1 ZINC001139686382 816083253 /nfs/dbraw/zinc/08/32/53/816083253.db2.gz WZKJBOBLPRPZHQ-UHFFFAOYSA-N 1 2 282.334 2.341 20 10 CECDLO C[N@H+](C1CC1)[C@H]1CCN(Cc2c(F)ccc(F)c2O)C1 ZINC001139686594 816084409 /nfs/dbraw/zinc/08/44/09/816084409.db2.gz BWQZUZVNGITOBN-NSHDSACASA-N 1 2 282.334 2.339 20 10 CECDLO C[N@@H+](C1CC1)[C@H]1CCN(Cc2c(F)ccc(F)c2O)C1 ZINC001139686594 816084415 /nfs/dbraw/zinc/08/44/15/816084415.db2.gz BWQZUZVNGITOBN-NSHDSACASA-N 1 2 282.334 2.339 20 10 CECDLO CCOc1ccc(N2CC[NH+](Cc3ccnnc3)CC2)cc1 ZINC001139986427 816157594 /nfs/dbraw/zinc/15/75/94/816157594.db2.gz JOCKGBKGXJLLOA-UHFFFAOYSA-N 1 2 298.390 2.198 20 10 CECDLO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582972 816291500 /nfs/dbraw/zinc/29/15/00/816291500.db2.gz RMJSMVDEFHGWEJ-NXEZZACHSA-N 1 2 299.317 2.444 20 10 CECDLO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140582972 816291505 /nfs/dbraw/zinc/29/15/05/816291505.db2.gz RMJSMVDEFHGWEJ-NXEZZACHSA-N 1 2 299.317 2.444 20 10 CECDLO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)[C@@H]1C ZINC001140583946 816293420 /nfs/dbraw/zinc/29/34/20/816293420.db2.gz ZQKNGUKDZDVGNK-KOLCDFICSA-N 1 2 299.317 2.444 20 10 CECDLO COC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)[C@@H]1C ZINC001140583946 816293421 /nfs/dbraw/zinc/29/34/21/816293421.db2.gz ZQKNGUKDZDVGNK-KOLCDFICSA-N 1 2 299.317 2.444 20 10 CECDLO COC(=O)[C@@]1(C)CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585459 816294387 /nfs/dbraw/zinc/29/43/87/816294387.db2.gz JGPLTGMHSACRFE-AWEZNQCLSA-N 1 2 285.290 2.055 20 10 CECDLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585459 816294389 /nfs/dbraw/zinc/29/43/89/816294389.db2.gz JGPLTGMHSACRFE-AWEZNQCLSA-N 1 2 285.290 2.055 20 10 CECDLO CC(C)OC1C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141145326 816485022 /nfs/dbraw/zinc/48/50/22/816485022.db2.gz UCJJEXAUCTVZRB-UHFFFAOYSA-N 1 2 276.380 2.124 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@]12C[C@H]1COC2 ZINC001179606995 816884280 /nfs/dbraw/zinc/88/42/80/816884280.db2.gz BWNJSUIAOWTEHA-UFBFGSQYSA-N 1 2 257.692 2.063 20 10 CECDLO CC[N@@H+](Cc1cc2c(cc1O)OCO2)CC(F)F ZINC000184093388 344508405 /nfs/dbraw/zinc/50/84/05/344508405.db2.gz WAYPJGGYUDKNCJ-UHFFFAOYSA-N 1 2 259.252 2.208 20 10 CECDLO CC[N@H+](Cc1cc2c(cc1O)OCO2)CC(F)F ZINC000184093388 344508406 /nfs/dbraw/zinc/50/84/06/344508406.db2.gz WAYPJGGYUDKNCJ-UHFFFAOYSA-N 1 2 259.252 2.208 20 10 CECDLO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400646 296133003 /nfs/dbraw/zinc/13/30/03/296133003.db2.gz MXGRHPVSZJUZHW-ZYHUDNBSSA-N 1 2 279.340 2.045 20 10 CECDLO C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400646 296133004 /nfs/dbraw/zinc/13/30/04/296133004.db2.gz MXGRHPVSZJUZHW-ZYHUDNBSSA-N 1 2 279.340 2.045 20 10 CECDLO Cc1cc(Cl)cc(C[NH+]2CC(n3ccnn3)C2)c1O ZINC000359996920 371497331 /nfs/dbraw/zinc/49/73/31/371497331.db2.gz SJUQYOXRAGMOLB-UHFFFAOYSA-N 1 2 278.743 2.002 20 10 CECDLO CCC[C@](C)([NH2+]Cc1cccc(F)c1O)C(=O)OC ZINC000273827320 373774583 /nfs/dbraw/zinc/77/45/83/373774583.db2.gz FBRTVYGOIDHBNN-AWEZNQCLSA-N 1 2 269.316 2.353 20 10 CECDLO CCn1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000273470912 373760303 /nfs/dbraw/zinc/76/03/03/373760303.db2.gz JUHWEJGCJHOFCT-SNVBAGLBSA-N 1 2 290.323 2.368 20 10 CECDLO Cc1cn2c([nH+]1)CN(Cc1cc(F)ccc1O)CC2 ZINC000371674141 373945219 /nfs/dbraw/zinc/94/52/19/373945219.db2.gz DNKUKEVPCILSPL-UHFFFAOYSA-N 1 2 261.300 2.052 20 10 CECDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000274895476 374085643 /nfs/dbraw/zinc/08/56/43/374085643.db2.gz FSDKHJHPBZQUHO-GXFFZTMASA-N 1 2 281.327 2.305 20 10 CECDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cc(F)ccc1O ZINC000274895476 374085648 /nfs/dbraw/zinc/08/56/48/374085648.db2.gz FSDKHJHPBZQUHO-GXFFZTMASA-N 1 2 281.327 2.305 20 10 CECDLO CC[C@@H]([NH2+][C@@H](CO)CCOC)c1cccc(Cl)c1O ZINC000287055939 376140293 /nfs/dbraw/zinc/14/02/93/376140293.db2.gz NENGKEULSVCQFM-ZWNOBZJWSA-N 1 2 287.787 2.484 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000289114439 376387539 /nfs/dbraw/zinc/38/75/39/376387539.db2.gz DBAJXWYBXIQGFO-OAHLLOKOSA-N 1 2 297.782 2.427 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000289114439 376387548 /nfs/dbraw/zinc/38/75/48/376387548.db2.gz DBAJXWYBXIQGFO-OAHLLOKOSA-N 1 2 297.782 2.427 20 10 CECDLO CCn1nc(C)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000294509590 377991712 /nfs/dbraw/zinc/99/17/12/377991712.db2.gz CQNOQTUISURAEM-UHFFFAOYSA-N 1 2 287.411 2.304 20 10 CECDLO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC000294509590 377991714 /nfs/dbraw/zinc/99/17/14/377991714.db2.gz CQNOQTUISURAEM-UHFFFAOYSA-N 1 2 287.411 2.304 20 10 CECDLO CCCOc1ccc(C[N@H+](CC)CC(=O)OC)c(O)c1 ZINC000271144084 394748809 /nfs/dbraw/zinc/74/88/09/394748809.db2.gz GPRHRNLXQYKVOK-UHFFFAOYSA-N 1 2 281.352 2.176 20 10 CECDLO CCCOc1ccc(C[N@@H+](CC)CC(=O)OC)c(O)c1 ZINC000271144084 394748812 /nfs/dbraw/zinc/74/88/12/394748812.db2.gz GPRHRNLXQYKVOK-UHFFFAOYSA-N 1 2 281.352 2.176 20 10 CECDLO Cn1cc(C[N@H+](C)Cc2c(O)cccc2Cl)cn1 ZINC000119704497 394771391 /nfs/dbraw/zinc/77/13/91/394771391.db2.gz WFHRYEBKCNWOTL-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO Cn1cc(C[N@@H+](C)Cc2c(O)cccc2Cl)cn1 ZINC000119704497 394771397 /nfs/dbraw/zinc/77/13/97/394771397.db2.gz WFHRYEBKCNWOTL-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCOCC12CCC2 ZINC000361909604 394838078 /nfs/dbraw/zinc/83/80/78/394838078.db2.gz VNBDKANHACVKSZ-UHFFFAOYSA-N 1 2 251.301 2.286 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCOCC12CCC2 ZINC000361909604 394838082 /nfs/dbraw/zinc/83/80/82/394838082.db2.gz VNBDKANHACVKSZ-UHFFFAOYSA-N 1 2 251.301 2.286 20 10 CECDLO O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]2CCCCN12 ZINC000367348123 394961809 /nfs/dbraw/zinc/96/18/09/394961809.db2.gz DVNCKMSBGHOGDT-STQMWFEESA-N 1 2 294.782 2.289 20 10 CECDLO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000164758961 395086491 /nfs/dbraw/zinc/08/64/91/395086491.db2.gz DXRRTDYVHJKGJT-HUTHGQBESA-N 1 2 275.801 2.292 20 10 CECDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[S@](=O)C1 ZINC000375950186 395105511 /nfs/dbraw/zinc/10/55/11/395105511.db2.gz ZWZBSUYJWDCDMM-YPMLDQLKSA-N 1 2 287.812 2.246 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCc2cccc(O)c21 ZINC000493848925 395676634 /nfs/dbraw/zinc/67/66/34/395676634.db2.gz QYBWXJYFHGUTSR-SREVYHEPSA-N 1 2 269.304 2.108 20 10 CECDLO Cc1nc(N[C@H](C)Cc2ccc(O)c(O)c2)cc[nH+]1 ZINC000184147003 262010533 /nfs/dbraw/zinc/01/05/33/262010533.db2.gz HTJATJHIRQPMEN-SECBINFHSA-N 1 2 259.309 2.239 20 10 CECDLO CC[C@@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(=O)OC ZINC000293057859 263137756 /nfs/dbraw/zinc/13/77/56/263137756.db2.gz GHDWCWSZHAEFOP-OAHLLOKOSA-N 1 2 297.326 2.165 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCCOCC1 ZINC000377012227 268039772 /nfs/dbraw/zinc/03/97/72/268039772.db2.gz FCGZVQXAOQPAMX-UHFFFAOYSA-N 1 2 259.708 2.407 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCCOCC1 ZINC000377012227 268039778 /nfs/dbraw/zinc/03/97/78/268039778.db2.gz FCGZVQXAOQPAMX-UHFFFAOYSA-N 1 2 259.708 2.407 20 10 CECDLO COC(=O)[C@@H]([NH2+]Cc1cccc(Cl)c1O)C1CC1 ZINC000276454811 328218431 /nfs/dbraw/zinc/21/84/31/328218431.db2.gz KKIHBJQDYCIWLQ-NSHDSACASA-N 1 2 269.728 2.087 20 10 CECDLO CN(Cc1ccccc1O)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377644680 329022649 /nfs/dbraw/zinc/02/26/49/329022649.db2.gz RVJKMXVTOWOYLK-LBPRGKRZSA-N 1 2 285.347 2.194 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377701412 329025664 /nfs/dbraw/zinc/02/56/64/329025664.db2.gz PAYAPZAMFKAIPG-ZIAGYGMSSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377701412 329025666 /nfs/dbraw/zinc/02/56/66/329025666.db2.gz PAYAPZAMFKAIPG-ZIAGYGMSSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000377707908 329026324 /nfs/dbraw/zinc/02/63/24/329026324.db2.gz WIZHMHRYUQUIMP-DZGCQCFKSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000377707908 329026326 /nfs/dbraw/zinc/02/63/26/329026326.db2.gz WIZHMHRYUQUIMP-DZGCQCFKSA-N 1 2 297.782 2.425 20 10 CECDLO O=C1C[N@H+](Cc2ccccc2O)CCN1c1cccs1 ZINC000185669327 329328524 /nfs/dbraw/zinc/32/85/24/329328524.db2.gz DTLBGCHHHRCXFZ-UHFFFAOYSA-N 1 2 288.372 2.303 20 10 CECDLO O=C1C[N@@H+](Cc2ccccc2O)CCN1c1cccs1 ZINC000185669327 329328525 /nfs/dbraw/zinc/32/85/25/329328525.db2.gz DTLBGCHHHRCXFZ-UHFFFAOYSA-N 1 2 288.372 2.303 20 10 CECDLO CC(C)n1cnnc1C[N@H+](C)Cc1cc(F)ccc1O ZINC000292222746 520056776 /nfs/dbraw/zinc/05/67/76/520056776.db2.gz AINDGAVQMZNAKA-UHFFFAOYSA-N 1 2 278.331 2.336 20 10 CECDLO CC(C)n1cnnc1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000292222746 520056790 /nfs/dbraw/zinc/05/67/90/520056790.db2.gz AINDGAVQMZNAKA-UHFFFAOYSA-N 1 2 278.331 2.336 20 10 CECDLO CCC[C@@](C)([NH2+]Cc1ccc2c(c1)CCO2)C(=O)OC ZINC000111246846 520927539 /nfs/dbraw/zinc/92/75/39/520927539.db2.gz MASJVOZRLPYVNB-MRXNPFEDSA-N 1 2 277.364 2.443 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)CC[S@]1=O ZINC000277601069 524512560 /nfs/dbraw/zinc/51/25/60/524512560.db2.gz LEKKNYUEPPUNOO-MGNBDDOMSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)CC[S@]1=O ZINC000277601069 524512566 /nfs/dbraw/zinc/51/25/66/524512566.db2.gz LEKKNYUEPPUNOO-MGNBDDOMSA-N 1 2 287.812 2.389 20 10 CECDLO Oc1ccc(CCNc2cc[nH+]c(C3CC3)n2)cc1O ZINC000128683500 526343597 /nfs/dbraw/zinc/34/35/97/526343597.db2.gz SFBSSSSBEKPNAN-UHFFFAOYSA-N 1 2 271.320 2.420 20 10 CECDLO Oc1ccc2ccccc2c1C[N@@H+]1CCn2cnnc2C1 ZINC000096477789 526356232 /nfs/dbraw/zinc/35/62/32/526356232.db2.gz ZBMOEDXLDVXOIQ-UHFFFAOYSA-N 1 2 280.331 2.153 20 10 CECDLO Oc1ccc2ccccc2c1C[N@H+]1CCn2cnnc2C1 ZINC000096477789 526356240 /nfs/dbraw/zinc/35/62/40/526356240.db2.gz ZBMOEDXLDVXOIQ-UHFFFAOYSA-N 1 2 280.331 2.153 20 10 CECDLO CCOc1ccc(C[N@H+](C)Cc2ncc[nH]2)c(O)c1 ZINC000894583720 629545673 /nfs/dbraw/zinc/54/56/73/629545673.db2.gz KUTOCHZBTYROKM-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO CCOc1ccc(C[N@@H+](C)Cc2ncc[nH]2)c(O)c1 ZINC000894583720 629545674 /nfs/dbraw/zinc/54/56/74/629545674.db2.gz KUTOCHZBTYROKM-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO OC[C@H]1CCCCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000895151635 629968222 /nfs/dbraw/zinc/96/82/22/629968222.db2.gz VMBRJRWDJLTGIX-LLVKDONJSA-N 1 2 271.307 2.407 20 10 CECDLO OC[C@H]1CCCCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000895151635 629968227 /nfs/dbraw/zinc/96/82/27/629968227.db2.gz VMBRJRWDJLTGIX-LLVKDONJSA-N 1 2 271.307 2.407 20 10 CECDLO C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc(F)c3[O-])CC[C@H]21 ZINC000895459941 630202553 /nfs/dbraw/zinc/20/25/53/630202553.db2.gz CJIRFZQWCJGXKR-IINYFYTJSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)cc(F)c3[O-])CC[C@H]21 ZINC000895459941 630202556 /nfs/dbraw/zinc/20/25/56/630202556.db2.gz CJIRFZQWCJGXKR-IINYFYTJSA-N 1 2 282.334 2.196 20 10 CECDLO C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)cc(F)c3[O-])CC[C@H]21 ZINC000895459941 630202558 /nfs/dbraw/zinc/20/25/58/630202558.db2.gz CJIRFZQWCJGXKR-IINYFYTJSA-N 1 2 282.334 2.196 20 10 CECDLO C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3[O-])CC[C@H]21 ZINC000895459941 630202561 /nfs/dbraw/zinc/20/25/61/630202561.db2.gz CJIRFZQWCJGXKR-IINYFYTJSA-N 1 2 282.334 2.196 20 10 CECDLO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000897891392 631963900 /nfs/dbraw/zinc/96/39/00/631963900.db2.gz DSNSNTKJMBTHAH-VXGBXAGGSA-N 1 2 289.734 2.078 20 10 CECDLO CC(=O)OC[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000898214375 632090919 /nfs/dbraw/zinc/09/09/19/632090919.db2.gz BEMXNPFMAJEIIX-QMMMGPOBSA-N 1 2 257.717 2.087 20 10 CECDLO CC[C@@H](NCC(F)(F)C[NH3+])c1ccc(F)cc1O ZINC000817967403 633809869 /nfs/dbraw/zinc/80/98/69/633809869.db2.gz HIESICWAUUOOJP-SNVBAGLBSA-N 1 2 262.275 2.166 20 10 CECDLO C[C@@H]([NH2+]C1CC(CCO)C1)c1cc(F)cc(F)c1O ZINC000903330551 635078081 /nfs/dbraw/zinc/07/80/81/635078081.db2.gz RSJMJQLNZKGLAL-FKTRJACZSA-N 1 2 271.307 2.482 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)cc1Cl ZINC000824709913 635482775 /nfs/dbraw/zinc/48/27/75/635482775.db2.gz QRNWTTDHUBDZLK-AWEZNQCLSA-N 1 2 296.798 2.310 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)cc1Cl ZINC000824709913 635482782 /nfs/dbraw/zinc/48/27/82/635482782.db2.gz QRNWTTDHUBDZLK-AWEZNQCLSA-N 1 2 296.798 2.310 20 10 CECDLO COCc1n[nH]c(C[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000827006407 636187411 /nfs/dbraw/zinc/18/74/11/636187411.db2.gz QSCKFSRFZSBGJV-UHFFFAOYSA-N 1 2 298.346 2.100 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000827364589 636304692 /nfs/dbraw/zinc/30/46/92/636304692.db2.gz FXWURSVUEVLAMS-VXGBXAGGSA-N 1 2 267.756 2.439 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+]2CCCc3[nH]ncc3C2)c1 ZINC000828014101 636486445 /nfs/dbraw/zinc/48/64/45/636486445.db2.gz UIKQKSBXQCVWIT-UHFFFAOYSA-N 1 2 287.363 2.462 20 10 CECDLO CCOc1ccc(O)c(C[N@H+]2CCCc3[nH]ncc3C2)c1 ZINC000828014101 636486447 /nfs/dbraw/zinc/48/64/47/636486447.db2.gz UIKQKSBXQCVWIT-UHFFFAOYSA-N 1 2 287.363 2.462 20 10 CECDLO CCOC(=O)[C@@H]1CSCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876562955 650332178 /nfs/dbraw/zinc/33/21/78/650332178.db2.gz WRMZZZWSFOXSCT-ZDUSSCGKSA-N 1 2 295.404 2.181 20 10 CECDLO CCOC(=O)[C@@H]1CSCC[N@H+]1Cc1ccc(C)cc1O ZINC000876562955 650332181 /nfs/dbraw/zinc/33/21/81/650332181.db2.gz WRMZZZWSFOXSCT-ZDUSSCGKSA-N 1 2 295.404 2.181 20 10 CECDLO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1cc(F)cc(F)c1O ZINC000834904957 637982499 /nfs/dbraw/zinc/98/24/99/637982499.db2.gz CTVMWZLIRMWRGC-SDBXPKJASA-N 1 2 271.307 2.482 20 10 CECDLO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cc(F)cc(F)c1O ZINC000834904797 637982590 /nfs/dbraw/zinc/98/25/90/637982590.db2.gz CTVMWZLIRMWRGC-OQPBUACISA-N 1 2 271.307 2.482 20 10 CECDLO O=C1[C@H]([NH2+]Cc2cccc(Cl)c2O)C[C@H]2CCCCN12 ZINC000835075662 638050320 /nfs/dbraw/zinc/05/03/20/638050320.db2.gz ZLUYKQGAFLDRRI-DGCLKSJQSA-N 1 2 294.782 2.289 20 10 CECDLO CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(C)cc2O)n1 ZINC000876794476 650434921 /nfs/dbraw/zinc/43/49/21/650434921.db2.gz AHCICPXAZBUBPJ-LLVKDONJSA-N 1 2 291.351 2.423 20 10 CECDLO CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(C)cc2O)n1 ZINC000876794476 650434922 /nfs/dbraw/zinc/43/49/22/650434922.db2.gz AHCICPXAZBUBPJ-LLVKDONJSA-N 1 2 291.351 2.423 20 10 CECDLO Nc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000841298182 639732048 /nfs/dbraw/zinc/73/20/48/639732048.db2.gz NCYYGPXUNYNDCZ-CQSZACIVSA-N 1 2 297.362 2.064 20 10 CECDLO C[C@H]([NH2+]CC1(N(C)C)CC1)c1cc(F)cc(F)c1O ZINC000841763624 639860309 /nfs/dbraw/zinc/86/03/09/639860309.db2.gz OEWWSPCVIXMXTN-VIFPVBQESA-N 1 2 270.323 2.415 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3cnc(C)nc3)CC2)cc1 ZINC000916984558 640835579 /nfs/dbraw/zinc/83/55/79/640835579.db2.gz INKKXNGTAOMZHP-UHFFFAOYSA-N 1 2 298.390 2.116 20 10 CECDLO COC(=O)CC1([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000846027177 641155805 /nfs/dbraw/zinc/15/58/05/641155805.db2.gz LKTMKXDYMZLULK-UHFFFAOYSA-N 1 2 269.728 2.231 20 10 CECDLO OCC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccco1 ZINC000877397065 650705501 /nfs/dbraw/zinc/70/55/01/650705501.db2.gz CTFODBSNKOWKPT-NSHDSACASA-N 1 2 283.274 2.477 20 10 CECDLO Cc1noc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000848503792 642017287 /nfs/dbraw/zinc/01/72/87/642017287.db2.gz PXDMYDSDPHXFST-UHFFFAOYSA-N 1 2 261.325 2.332 20 10 CECDLO Cc1noc(C[N@H+](C)Cc2cc(C)c(C)cc2O)n1 ZINC000848503792 642017295 /nfs/dbraw/zinc/01/72/95/642017295.db2.gz PXDMYDSDPHXFST-UHFFFAOYSA-N 1 2 261.325 2.332 20 10 CECDLO C[C@H]([NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1)c1ccccc1O ZINC000848557408 642051735 /nfs/dbraw/zinc/05/17/35/642051735.db2.gz JSOCVNZBEIDQRM-GWCFXTLKSA-N 1 2 288.351 2.213 20 10 CECDLO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cc(F)cc(F)c1O ZINC000850487979 642729907 /nfs/dbraw/zinc/72/99/07/642729907.db2.gz KLBXBWVDYLJFSW-OQPBUACISA-N 1 2 271.307 2.482 20 10 CECDLO COCc1n[nH]c(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)n1 ZINC000850513203 642735823 /nfs/dbraw/zinc/73/58/23/642735823.db2.gz FPNUDFQWOMHKSM-LLVKDONJSA-N 1 2 290.367 2.124 20 10 CECDLO C[C@H](O)C[N@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000877621858 650817601 /nfs/dbraw/zinc/81/76/01/650817601.db2.gz XSXKGIAGSMJQIC-QMMMGPOBSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@H](O)C[N@@H+](Cc1ccc(F)c(F)c1O)C1CC1 ZINC000877621858 650817602 /nfs/dbraw/zinc/81/76/02/650817602.db2.gz XSXKGIAGSMJQIC-QMMMGPOBSA-N 1 2 257.280 2.016 20 10 CECDLO CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756657203 644680129 /nfs/dbraw/zinc/68/01/29/644680129.db2.gz BGPXOWIDUJLTRN-WCBMZHEXSA-N 1 2 259.296 2.482 20 10 CECDLO C[C@@H]([NH2+]CCC1CC(O)C1)c1cc(F)cc(F)c1O ZINC000762650312 645433834 /nfs/dbraw/zinc/43/38/34/645433834.db2.gz QFCNITDJOJDRMY-FKTRJACZSA-N 1 2 271.307 2.482 20 10 CECDLO COc1cc(C[NH2+]C(C)(C)c2noc(C)n2)c(O)cc1C ZINC000768453377 646125328 /nfs/dbraw/zinc/12/53/28/646125328.db2.gz WFZLQXZYBJYQJI-UHFFFAOYSA-N 1 2 291.351 2.426 20 10 CECDLO COc1cccc(C[N@H+](C)Cc2nnc3ccccn32)c1O ZINC000769202173 646224186 /nfs/dbraw/zinc/22/41/86/646224186.db2.gz FSBJLZRTKJGOLM-UHFFFAOYSA-N 1 2 298.346 2.076 20 10 CECDLO COc1cccc(C[N@@H+](C)Cc2nnc3ccccn32)c1O ZINC000769202173 646224189 /nfs/dbraw/zinc/22/41/89/646224189.db2.gz FSBJLZRTKJGOLM-UHFFFAOYSA-N 1 2 298.346 2.076 20 10 CECDLO CCOc1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c1 ZINC000769465538 646272124 /nfs/dbraw/zinc/27/21/24/646272124.db2.gz HCWIHTXLNDEAIQ-JGRMJRGVSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)c1 ZINC000769465538 646272130 /nfs/dbraw/zinc/27/21/30/646272130.db2.gz HCWIHTXLNDEAIQ-JGRMJRGVSA-N 1 2 297.420 2.132 20 10 CECDLO Cc1[nH]c(CN2CCOc3cc(N(C)C)ccc32)[nH+]c1C ZINC000862325340 646399215 /nfs/dbraw/zinc/39/92/15/646399215.db2.gz DQHCUQQRPBCJES-UHFFFAOYSA-N 1 2 286.379 2.492 20 10 CECDLO CCOC(=O)[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771529056 646529198 /nfs/dbraw/zinc/52/91/98/646529198.db2.gz UGIKIGIYYVAKKP-LBPRGKRZSA-N 1 2 264.369 2.136 20 10 CECDLO CCOC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000771529056 646529203 /nfs/dbraw/zinc/52/92/03/646529203.db2.gz UGIKIGIYYVAKKP-LBPRGKRZSA-N 1 2 264.369 2.136 20 10 CECDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000774658411 646874364 /nfs/dbraw/zinc/87/43/64/646874364.db2.gz NOGAYNCUMSWAFB-JTQLQIEISA-N 1 2 291.376 2.207 20 10 CECDLO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775656676 646976827 /nfs/dbraw/zinc/97/68/27/646976827.db2.gz YPWSCXZCLGWVAU-MRVPVSSYSA-N 1 2 289.734 2.426 20 10 CECDLO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775656676 646976831 /nfs/dbraw/zinc/97/68/31/646976831.db2.gz YPWSCXZCLGWVAU-MRVPVSSYSA-N 1 2 289.734 2.426 20 10 CECDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCOC1 ZINC000775678237 646980361 /nfs/dbraw/zinc/98/03/61/646980361.db2.gz XGAAUAGKIYNWNO-JTQLQIEISA-N 1 2 259.708 2.405 20 10 CECDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCOC1 ZINC000775678237 646980363 /nfs/dbraw/zinc/98/03/63/646980363.db2.gz XGAAUAGKIYNWNO-JTQLQIEISA-N 1 2 259.708 2.405 20 10 CECDLO OCCCOC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775723058 646984425 /nfs/dbraw/zinc/98/44/25/646984425.db2.gz BWKHFVVRZLBLCH-UHFFFAOYSA-N 1 2 299.798 2.409 20 10 CECDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(C)(C)O ZINC000776151413 647027645 /nfs/dbraw/zinc/02/76/45/647027645.db2.gz MRIRVUNMVNSOLL-ZETCQYMHSA-N 1 2 261.724 2.434 20 10 CECDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521225 647067643 /nfs/dbraw/zinc/06/76/43/647067643.db2.gz MTEGTTYOVKBNKL-NTCNTBNZSA-N 1 2 293.791 2.384 20 10 CECDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521225 647067645 /nfs/dbraw/zinc/06/76/45/647067645.db2.gz MTEGTTYOVKBNKL-NTCNTBNZSA-N 1 2 293.791 2.384 20 10 CECDLO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000783603309 647736389 /nfs/dbraw/zinc/73/63/89/647736389.db2.gz YEQAVMHVYKIVMC-JGVFFNPUSA-N 1 2 261.724 2.434 20 10 CECDLO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(F)cc(F)c1O ZINC000866416391 647780054 /nfs/dbraw/zinc/78/00/54/647780054.db2.gz UUNFJJUNSSRACJ-MRTMQBJTSA-N 1 2 257.280 2.092 20 10 CECDLO O=C(C1=CC(=O)CS1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000791024888 648473265 /nfs/dbraw/zinc/47/32/65/648473265.db2.gz YQZCPAUGSQVBMM-GFCCVEGCSA-N 1 2 290.344 2.142 20 10 CECDLO Cc1cc(Cl)cc(CN2CC[NH2+]CC(F)(F)C2)c1O ZINC001211346166 802813913 /nfs/dbraw/zinc/81/39/13/802813913.db2.gz FMHWTBANAUFNIA-UHFFFAOYSA-N 1 2 290.741 2.395 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000715518050 814971603 /nfs/dbraw/zinc/97/16/03/814971603.db2.gz ZISORVSGFCYDHZ-TXEJJXNPSA-N 1 2 285.265 2.431 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000715518050 814971611 /nfs/dbraw/zinc/97/16/11/814971611.db2.gz ZISORVSGFCYDHZ-TXEJJXNPSA-N 1 2 285.265 2.431 20 10 CECDLO CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715724247 814988142 /nfs/dbraw/zinc/98/81/42/814988142.db2.gz ZQMMZWQPFANRAN-VIFPVBQESA-N 1 2 292.148 2.154 20 10 CECDLO COc1cc(-c2[nH+]ccc3c2ccn3C)c(OC)nn1 ZINC001240322898 809043456 /nfs/dbraw/zinc/04/34/56/809043456.db2.gz OVRAHCWKZZZZPJ-UHFFFAOYSA-N 1 2 270.292 2.048 20 10 CECDLO CC[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)C[C@@H]1C ZINC000703488889 809652813 /nfs/dbraw/zinc/65/28/13/809652813.db2.gz BTUNLBKSNOAUGH-JTQLQIEISA-N 1 2 270.323 2.196 20 10 CECDLO CC[N@H+]1CCN(Cc2ccc(F)c(F)c2O)C[C@@H]1C ZINC000703488889 809652816 /nfs/dbraw/zinc/65/28/16/809652816.db2.gz BTUNLBKSNOAUGH-JTQLQIEISA-N 1 2 270.323 2.196 20 10 CECDLO CC(C)N(C)C[C@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516967 809944208 /nfs/dbraw/zinc/94/42/08/809944208.db2.gz LZOKCNDMOFYLRC-JTQLQIEISA-N 1 2 272.339 2.489 20 10 CECDLO CCN1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1O ZINC000708504699 809944564 /nfs/dbraw/zinc/94/45/64/809944564.db2.gz UILJPHKCGXGBGI-LBPRGKRZSA-N 1 2 270.323 2.244 20 10 CECDLO Cc1cc(C[N@@H+]2CC(=O)N[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001137853923 815697094 /nfs/dbraw/zinc/69/70/94/815697094.db2.gz AVVPNMBLNUIJLF-ZDUSSCGKSA-N 1 2 297.402 2.414 20 10 CECDLO Cc1cc(C[N@H+]2CC(=O)N[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001137853923 815697097 /nfs/dbraw/zinc/69/70/97/815697097.db2.gz AVVPNMBLNUIJLF-ZDUSSCGKSA-N 1 2 297.402 2.414 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC(C)C1 ZINC001139126721 815965484 /nfs/dbraw/zinc/96/54/84/815965484.db2.gz NVQZZPSAVZMHJY-UHFFFAOYSA-N 1 2 259.305 2.259 20 10 CECDLO C[NH+](C)CCC[N@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139685535 816082491 /nfs/dbraw/zinc/08/24/91/816082491.db2.gz NCEIXDMQOVZFTJ-UHFFFAOYSA-N 1 2 258.312 2.054 20 10 CECDLO C[NH+](C)CCC[N@@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139685535 816082498 /nfs/dbraw/zinc/08/24/98/816082498.db2.gz NCEIXDMQOVZFTJ-UHFFFAOYSA-N 1 2 258.312 2.054 20 10 CECDLO Oc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001140468803 816262212 /nfs/dbraw/zinc/26/22/12/816262212.db2.gz YHOIHEXNDWDOFN-VXGBXAGGSA-N 1 2 253.729 2.409 20 10 CECDLO Oc1cc(Cl)ccc1C[N@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001140468803 816262215 /nfs/dbraw/zinc/26/22/15/816262215.db2.gz YHOIHEXNDWDOFN-VXGBXAGGSA-N 1 2 253.729 2.409 20 10 CECDLO CO[C@H](C)C1C[NH+](Cc2c(O)cc(F)cc2F)C1 ZINC001140585495 816295109 /nfs/dbraw/zinc/29/51/09/816295109.db2.gz KMUNMHWRSCJPSQ-MRVPVSSYSA-N 1 2 257.280 2.137 20 10 CECDLO c1c(C[N@@H+]2CCN3CC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141078803 816471383 /nfs/dbraw/zinc/47/13/83/816471383.db2.gz JSIIAWVEOACGIY-SFHVURJKSA-N 1 2 297.446 2.275 20 10 CECDLO c1c(C[N@H+]2CCN3CC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141078803 816471388 /nfs/dbraw/zinc/47/13/88/816471388.db2.gz JSIIAWVEOACGIY-SFHVURJKSA-N 1 2 297.446 2.275 20 10 CECDLO C[C@@H]1CC(=O)CC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141141032 816485888 /nfs/dbraw/zinc/48/58/88/816485888.db2.gz SJAUMBWITDKKHE-GFCCVEGCSA-N 1 2 274.364 2.069 20 10 CECDLO C[C@@H]1CC(=O)CC[N@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141141032 816485890 /nfs/dbraw/zinc/48/58/90/816485890.db2.gz SJAUMBWITDKKHE-GFCCVEGCSA-N 1 2 274.364 2.069 20 10 CECDLO O=C(C[NH2+]Cc1cc(Cl)cc(Cl)c1O)NC1CC1 ZINC000036782422 361858440 /nfs/dbraw/zinc/85/84/40/361858440.db2.gz HTNBVEDNUOCVEJ-UHFFFAOYSA-N 1 2 289.162 2.067 20 10 CECDLO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(F)c(F)c1O ZINC000289759065 299301918 /nfs/dbraw/zinc/30/19/18/299301918.db2.gz LOCIIANTRDXCJI-QMMMGPOBSA-N 1 2 267.279 2.287 20 10 CECDLO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179726646 368348072 /nfs/dbraw/zinc/34/80/72/368348072.db2.gz NYWSJKUWHNEKEG-ZDUSSCGKSA-N 1 2 294.782 2.289 20 10 CECDLO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179726646 368348076 /nfs/dbraw/zinc/34/80/76/368348076.db2.gz NYWSJKUWHNEKEG-ZDUSSCGKSA-N 1 2 294.782 2.289 20 10 CECDLO CCOC(=O)C[N@H+](Cc1cccc(C)c1O)C1CC1 ZINC000179750525 368350100 /nfs/dbraw/zinc/35/01/00/368350100.db2.gz GFNAFNPZUSEUAV-UHFFFAOYSA-N 1 2 263.337 2.228 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1cccc(C)c1O)C1CC1 ZINC000179750525 368350104 /nfs/dbraw/zinc/35/01/04/368350104.db2.gz GFNAFNPZUSEUAV-UHFFFAOYSA-N 1 2 263.337 2.228 20 10 CECDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000180552497 368386053 /nfs/dbraw/zinc/38/60/53/368386053.db2.gz KPRFIRKEEWAAHX-LBPRGKRZSA-N 1 2 282.771 2.146 20 10 CECDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180552497 368386055 /nfs/dbraw/zinc/38/60/55/368386055.db2.gz KPRFIRKEEWAAHX-LBPRGKRZSA-N 1 2 282.771 2.146 20 10 CECDLO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2O)C1 ZINC000187761275 369217819 /nfs/dbraw/zinc/21/78/19/369217819.db2.gz HXFPLFGTRYUNIV-VHSXEESVSA-N 1 2 298.333 2.332 20 10 CECDLO CCCCOC(=O)C[N@H+](C)Cc1ccccc1O ZINC000269663241 372525635 /nfs/dbraw/zinc/52/56/35/372525635.db2.gz USTIHBOSKZZOGX-UHFFFAOYSA-N 1 2 251.326 2.167 20 10 CECDLO CCCCOC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000269663241 372525641 /nfs/dbraw/zinc/52/56/41/372525641.db2.gz USTIHBOSKZZOGX-UHFFFAOYSA-N 1 2 251.326 2.167 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364505089 372743000 /nfs/dbraw/zinc/74/30/00/372743000.db2.gz DGDKKIGRJXVADM-LLVKDONJSA-N 1 2 278.743 2.084 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364505089 372743005 /nfs/dbraw/zinc/74/30/05/372743005.db2.gz DGDKKIGRJXVADM-LLVKDONJSA-N 1 2 278.743 2.084 20 10 CECDLO C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298355 373751843 /nfs/dbraw/zinc/75/18/43/373751843.db2.gz AQEKASMIVSVIOE-LLVKDONJSA-N 1 2 290.323 2.238 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273620693 373768698 /nfs/dbraw/zinc/76/86/98/373768698.db2.gz YZIQLTDDYXBBLV-VHSXEESVSA-N 1 2 290.323 2.446 20 10 CECDLO CC[C@H](c1ccccc1O)[N@@H+]1CCn2c(C)nnc2C1 ZINC000372590671 374163705 /nfs/dbraw/zinc/16/37/05/374163705.db2.gz FYXHWXDMNRJYGQ-CYBMUJFWSA-N 1 2 272.352 2.259 20 10 CECDLO CC[C@H](c1ccccc1O)[N@H+]1CCn2c(C)nnc2C1 ZINC000372590671 374163709 /nfs/dbraw/zinc/16/37/09/374163709.db2.gz FYXHWXDMNRJYGQ-CYBMUJFWSA-N 1 2 272.352 2.259 20 10 CECDLO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000374546551 374595399 /nfs/dbraw/zinc/59/53/99/374595399.db2.gz VTJLFMSFOXDZCQ-GFCCVEGCSA-N 1 2 277.755 2.416 20 10 CECDLO Cc1cc(C)c([C@H](C)[NH2+]CC(F)(F)CO)c(O)c1 ZINC000285087009 375836693 /nfs/dbraw/zinc/83/66/93/375836693.db2.gz JUTUEDLYOJXLQN-JTQLQIEISA-N 1 2 259.296 2.287 20 10 CECDLO CC[C@H]([NH2+]CCc1nnc(C)[nH]1)c1ccc(F)cc1O ZINC000286035338 375848040 /nfs/dbraw/zinc/84/80/40/375848040.db2.gz JLIPEEBQLGDOJL-LBPRGKRZSA-N 1 2 278.331 2.241 20 10 CECDLO CC(C)n1cc(C[N@H+](C)Cc2ccccc2O)nn1 ZINC000289009396 376384806 /nfs/dbraw/zinc/38/48/06/376384806.db2.gz FNFMWYIRZOTGGU-UHFFFAOYSA-N 1 2 260.341 2.197 20 10 CECDLO CC(C)n1cc(C[N@@H+](C)Cc2ccccc2O)nn1 ZINC000289009396 376384811 /nfs/dbraw/zinc/38/48/11/376384811.db2.gz FNFMWYIRZOTGGU-UHFFFAOYSA-N 1 2 260.341 2.197 20 10 CECDLO COCCN(CC[NH+](C)C)Cc1cccc(Cl)c1O ZINC000289432375 376394616 /nfs/dbraw/zinc/39/46/16/376394616.db2.gz KWQDOCCTNQIOAH-UHFFFAOYSA-N 1 2 286.803 2.056 20 10 CECDLO COCC[N@H+](CCN(C)C)Cc1cccc(Cl)c1O ZINC000289432375 376394619 /nfs/dbraw/zinc/39/46/19/376394619.db2.gz KWQDOCCTNQIOAH-UHFFFAOYSA-N 1 2 286.803 2.056 20 10 CECDLO COCC[N@@H+](CCN(C)C)Cc1cccc(Cl)c1O ZINC000289432375 376394622 /nfs/dbraw/zinc/39/46/22/376394622.db2.gz KWQDOCCTNQIOAH-UHFFFAOYSA-N 1 2 286.803 2.056 20 10 CECDLO O=C1OCC[C@@]12CCC[N@H+]2Cc1cc(Cl)c(F)cc1O ZINC000294566643 377997937 /nfs/dbraw/zinc/99/79/37/377997937.db2.gz GEEWYARLKDDYLM-AWEZNQCLSA-N 1 2 299.729 2.466 20 10 CECDLO O=C1OCC[C@@]12CCC[N@@H+]2Cc1cc(Cl)c(F)cc1O ZINC000294566643 377997945 /nfs/dbraw/zinc/99/79/45/377997945.db2.gz GEEWYARLKDDYLM-AWEZNQCLSA-N 1 2 299.729 2.466 20 10 CECDLO CCOC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000529667139 380183362 /nfs/dbraw/zinc/18/33/62/380183362.db2.gz RCOZWSVLHPADEE-NSHDSACASA-N 1 2 285.771 2.283 20 10 CECDLO CCOC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CCO1 ZINC000529667139 380183367 /nfs/dbraw/zinc/18/33/67/380183367.db2.gz RCOZWSVLHPADEE-NSHDSACASA-N 1 2 285.771 2.283 20 10 CECDLO CCC[C@](C)([NH2+]Cc1cccc(OC)c1O)C(=O)OC ZINC000184048441 262006297 /nfs/dbraw/zinc/00/62/97/262006297.db2.gz ZWPWPGQZYDZDER-HNNXBMFYSA-N 1 2 281.352 2.222 20 10 CECDLO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cccc(Cl)c1O ZINC000124718842 394840005 /nfs/dbraw/zinc/84/00/05/394840005.db2.gz WGNUDLCUEATCEC-JTQLQIEISA-N 1 2 282.771 2.146 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372798864 395047546 /nfs/dbraw/zinc/04/75/46/395047546.db2.gz GNOSYMPCCFFREF-GFCCVEGCSA-N 1 2 274.364 2.013 20 10 CECDLO COC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372798864 395047552 /nfs/dbraw/zinc/04/75/52/395047552.db2.gz GNOSYMPCCFFREF-GFCCVEGCSA-N 1 2 274.364 2.013 20 10 CECDLO CC[C@@H]([NH2+]CCS(C)(=O)=O)c1cccc(Cl)c1O ZINC000287314619 395038206 /nfs/dbraw/zinc/03/82/06/395038206.db2.gz DBICOFDUCGZJCE-LLVKDONJSA-N 1 2 291.800 2.131 20 10 CECDLO Cc1nnsc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000293730203 395249258 /nfs/dbraw/zinc/24/92/58/395249258.db2.gz QACDFVVSUQTOFC-ZETCQYMHSA-N 1 2 294.336 2.311 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c1O ZINC000218348661 400308668 /nfs/dbraw/zinc/30/86/68/400308668.db2.gz HGGGFZFMYJEXCI-UWVGGRQHSA-N 1 2 281.327 2.343 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1O ZINC000218348661 400308670 /nfs/dbraw/zinc/30/86/70/400308670.db2.gz HGGGFZFMYJEXCI-UWVGGRQHSA-N 1 2 281.327 2.343 20 10 CECDLO CC[C@@H]([NH2+][C@H](CO)CCOC)c1cccc(Cl)c1O ZINC000287055933 286930808 /nfs/dbraw/zinc/93/08/08/286930808.db2.gz NENGKEULSVCQFM-GXFFZTMASA-N 1 2 287.787 2.484 20 10 CECDLO C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000035602838 172290816 /nfs/dbraw/zinc/29/08/16/172290816.db2.gz STWLNEXZOQTOQB-LURJTMIESA-N 1 2 250.125 2.169 20 10 CECDLO C[C@@H]([NH2+]Cc1ncn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000186214464 262084759 /nfs/dbraw/zinc/08/47/59/262084759.db2.gz SZTWTTPOYLCPPD-LLVKDONJSA-N 1 2 286.379 2.250 20 10 CECDLO C/C=C/C[C@H](CO)[NH2+]Cc1cccc(Cl)c1O ZINC000186531299 262097240 /nfs/dbraw/zinc/09/72/40/262097240.db2.gz HYYQSGDZRPLOFS-KXMPLOMGSA-N 1 2 255.745 2.462 20 10 CECDLO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000188486232 262157114 /nfs/dbraw/zinc/15/71/14/262157114.db2.gz KSDOEVQREDAPBJ-VIFPVBQESA-N 1 2 270.760 2.002 20 10 CECDLO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000378455491 329051191 /nfs/dbraw/zinc/05/11/91/329051191.db2.gz REFQNOTYXDPTPT-IRUJWGPZSA-N 1 2 294.782 2.145 20 10 CECDLO CCn1ncc(C[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000527733361 330278458 /nfs/dbraw/zinc/27/84/58/330278458.db2.gz DNTWUJRZPHAIJI-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO CCCN(Cc1ccccc1O)C(=O)Cc1[nH]c[nH+]c1C ZINC000278770021 521687758 /nfs/dbraw/zinc/68/77/58/521687758.db2.gz GPEZVKATWGBMKO-UHFFFAOYSA-N 1 2 287.363 2.405 20 10 CECDLO CC[C@H](C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)OC ZINC000037102577 521980081 /nfs/dbraw/zinc/98/00/81/521980081.db2.gz XQCYRWFMAUXOIL-WFASDCNBSA-N 1 2 278.396 2.430 20 10 CECDLO C[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1O ZINC000127920049 522882619 /nfs/dbraw/zinc/88/26/19/522882619.db2.gz YZDVYSZFZWUSKO-UHFFFAOYSA-N 1 2 250.125 2.123 20 10 CECDLO C[N@@H+](CCO)Cc1cc(Cl)cc(Cl)c1O ZINC000127920049 522882630 /nfs/dbraw/zinc/88/26/30/522882630.db2.gz YZDVYSZFZWUSKO-UHFFFAOYSA-N 1 2 250.125 2.123 20 10 CECDLO CC[C@@](C)([NH2+]Cc1ccc(N(C)C)cc1)C(=O)OC ZINC000293105818 523657173 /nfs/dbraw/zinc/65/71/73/523657173.db2.gz JMDSPJKQKDEDLA-OAHLLOKOSA-N 1 2 264.369 2.184 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CC1(N2CCOCC2)CC1 ZINC000278295361 526327152 /nfs/dbraw/zinc/32/71/52/526327152.db2.gz DAOJTCQCEGXTDW-UHFFFAOYSA-N 1 2 296.798 2.000 20 10 CECDLO Oc1cccc(Cl)c1CN1CCn2c[nH+]cc2C1 ZINC000291702647 526362689 /nfs/dbraw/zinc/36/26/89/526362689.db2.gz ZEGUNRQEEPGIDR-UHFFFAOYSA-N 1 2 263.728 2.258 20 10 CECDLO C[C@@H]([NH2+]CCc1ccnn1C)c1cc(F)cc(F)c1O ZINC000762778803 574528057 /nfs/dbraw/zinc/52/80/57/574528057.db2.gz PYOYZYGXPGYPGQ-SECBINFHSA-N 1 2 281.306 2.297 20 10 CECDLO CCOC(=O)[C@H](CC1CC1)[NH2+]Cc1ccccc1O ZINC000753567694 575330292 /nfs/dbraw/zinc/33/02/92/575330292.db2.gz HKNOYABIVWWYMM-ZDUSSCGKSA-N 1 2 263.337 2.214 20 10 CECDLO COc1ccc2c(c1)CCC[N@H+]2CC[C@H]1CCOC1=O ZINC000753843386 575345063 /nfs/dbraw/zinc/34/50/63/575345063.db2.gz SWGOSTXEAUUYFD-LBPRGKRZSA-N 1 2 275.348 2.401 20 10 CECDLO COc1ccc2c(c1)CCC[N@@H+]2CC[C@H]1CCOC1=O ZINC000753843386 575345064 /nfs/dbraw/zinc/34/50/64/575345064.db2.gz SWGOSTXEAUUYFD-LBPRGKRZSA-N 1 2 275.348 2.401 20 10 CECDLO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000775744007 628335041 /nfs/dbraw/zinc/33/50/41/628335041.db2.gz IUZGPEAUTYMTSY-UFBFGSQYSA-N 1 2 273.735 2.387 20 10 CECDLO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@H]1O ZINC000775744007 628335045 /nfs/dbraw/zinc/33/50/45/628335045.db2.gz IUZGPEAUTYMTSY-UFBFGSQYSA-N 1 2 273.735 2.387 20 10 CECDLO Cc1ccc2[nH+]cc(C=C3SC(=S)NC3=O)n2c1 ZINC000178765517 629150624 /nfs/dbraw/zinc/15/06/24/629150624.db2.gz BFICMHCXAPIUEW-WTKPLQERSA-N 1 2 275.358 2.132 20 10 CECDLO COc1cccc(O)c1C[NH2+]Cc1nc(C(F)F)no1 ZINC000895727901 630317833 /nfs/dbraw/zinc/31/78/33/630317833.db2.gz VKGHZSUOFLSEGL-UHFFFAOYSA-N 1 2 285.250 2.011 20 10 CECDLO COc1ccc(C[NH2+][C@@H](C)C(F)F)c(O)c1OC ZINC000896038723 630448309 /nfs/dbraw/zinc/44/83/09/630448309.db2.gz WBDQBXBYTUXBLU-ZETCQYMHSA-N 1 2 261.268 2.153 20 10 CECDLO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc(F)c(F)c1O ZINC000897342186 631146250 /nfs/dbraw/zinc/14/62/50/631146250.db2.gz VCQNEZIHQRGURV-ZDUSSCGKSA-N 1 2 298.333 2.065 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000802654568 631441736 /nfs/dbraw/zinc/44/17/36/631441736.db2.gz XZPZQCLPQNOYEE-CYBMUJFWSA-N 1 2 287.306 2.257 20 10 CECDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](C(F)F)C2)c1 ZINC000802654568 631441738 /nfs/dbraw/zinc/44/17/38/631441738.db2.gz XZPZQCLPQNOYEE-CYBMUJFWSA-N 1 2 287.306 2.257 20 10 CECDLO COc1nn(C)cc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000898025451 632019609 /nfs/dbraw/zinc/01/96/09/632019609.db2.gz HIBOLWGMFYXDPK-UHFFFAOYSA-N 1 2 299.733 2.217 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@H](C)[S@@]1=O ZINC000809699235 632130527 /nfs/dbraw/zinc/13/05/27/632130527.db2.gz LZUVTJYITZRZLD-ZBUHCNDUSA-N 1 2 297.420 2.132 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)C[C@H](C)[S@@]1=O ZINC000809699235 632130531 /nfs/dbraw/zinc/13/05/31/632130531.db2.gz LZUVTJYITZRZLD-ZBUHCNDUSA-N 1 2 297.420 2.132 20 10 CECDLO COCC[C@H](COC)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000810257267 632199802 /nfs/dbraw/zinc/19/98/02/632199802.db2.gz OUGOYVOVYPCUMN-MWLCHTKSSA-N 1 2 289.322 2.373 20 10 CECDLO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816566940 633414513 /nfs/dbraw/zinc/41/45/13/633414513.db2.gz LYHINPJQSBQVSD-JGVFFNPUSA-N 1 2 261.724 2.434 20 10 CECDLO C[C@H]([NH2+][C@@H](CN)C1CC1)c1cc(Cl)ccc1O ZINC000817959430 633801626 /nfs/dbraw/zinc/80/16/26/633801626.db2.gz FWPAWXKWAIFRKX-UFBFGSQYSA-N 1 2 254.761 2.434 20 10 CECDLO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1cc(F)cc(F)c1O ZINC000903395068 635091139 /nfs/dbraw/zinc/09/11/39/635091139.db2.gz JFYUCULZKFNJLM-LWINAJNOSA-N 1 2 257.280 2.356 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1(CO)CC1 ZINC000826990277 636179890 /nfs/dbraw/zinc/17/98/90/636179890.db2.gz CVYWUEBCRTVOOQ-MRVPVSSYSA-N 1 2 273.735 2.435 20 10 CECDLO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)Cc1cn(C)nn1 ZINC000835048308 638038678 /nfs/dbraw/zinc/03/86/78/638038678.db2.gz PXWOZHFZNOJLMK-SREVYHEPSA-N 1 2 299.422 2.416 20 10 CECDLO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)Cc1cn(C)nn1 ZINC000835048308 638038685 /nfs/dbraw/zinc/03/86/85/638038685.db2.gz PXWOZHFZNOJLMK-SREVYHEPSA-N 1 2 299.422 2.416 20 10 CECDLO CCOC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840909739 639582574 /nfs/dbraw/zinc/58/25/74/639582574.db2.gz HEZPBDXCKYXBII-UHFFFAOYSA-N 1 2 264.369 2.056 20 10 CECDLO CCOC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840909739 639582577 /nfs/dbraw/zinc/58/25/77/639582577.db2.gz HEZPBDXCKYXBII-UHFFFAOYSA-N 1 2 264.369 2.056 20 10 CECDLO Oc1c(C[NH2+][C@H]2c3ccccc3C[C@H]2O)ccc(F)c1F ZINC000877093218 650569206 /nfs/dbraw/zinc/56/92/06/650569206.db2.gz GEJGBVFYUVLAIN-HIFRSBDPSA-N 1 2 291.297 2.418 20 10 CECDLO COc1ccc([N@H+](C)C[C@H]2CCNC(=O)CC2)cc1 ZINC000844354651 640689822 /nfs/dbraw/zinc/68/98/22/640689822.db2.gz FNVXKGCXNUQDAA-GFCCVEGCSA-N 1 2 262.353 2.048 20 10 CECDLO COc1ccc([N@@H+](C)C[C@H]2CCNC(=O)CC2)cc1 ZINC000844354651 640689826 /nfs/dbraw/zinc/68/98/26/640689826.db2.gz FNVXKGCXNUQDAA-GFCCVEGCSA-N 1 2 262.353 2.048 20 10 CECDLO COCCCOCC[N@H+](C)Cc1ccc(F)c(F)c1O ZINC000877172996 650610341 /nfs/dbraw/zinc/61/03/41/650610341.db2.gz WIVDIGDJYWXQTP-UHFFFAOYSA-N 1 2 289.322 2.155 20 10 CECDLO COCCCOCC[N@@H+](C)Cc1ccc(F)c(F)c1O ZINC000877172996 650610343 /nfs/dbraw/zinc/61/03/43/650610343.db2.gz WIVDIGDJYWXQTP-UHFFFAOYSA-N 1 2 289.322 2.155 20 10 CECDLO C[N@H+](CCN1CCCCC1)Cc1cc2c(cc1O)OCO2 ZINC000846115283 641189270 /nfs/dbraw/zinc/18/92/70/641189270.db2.gz UCFKZYWAYYVDGJ-UHFFFAOYSA-N 1 2 292.379 2.039 20 10 CECDLO C[N@@H+](CCN1CCCCC1)Cc1cc2c(cc1O)OCO2 ZINC000846115283 641189276 /nfs/dbraw/zinc/18/92/76/641189276.db2.gz UCFKZYWAYYVDGJ-UHFFFAOYSA-N 1 2 292.379 2.039 20 10 CECDLO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877322419 650675227 /nfs/dbraw/zinc/67/52/27/650675227.db2.gz GJBNAHWVUFUXQS-NSHDSACASA-N 1 2 271.307 2.406 20 10 CECDLO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877322419 650675228 /nfs/dbraw/zinc/67/52/28/650675228.db2.gz GJBNAHWVUFUXQS-NSHDSACASA-N 1 2 271.307 2.406 20 10 CECDLO COc1c(N)[nH+]cnc1NCCCSc1nccs1 ZINC000848665250 642094255 /nfs/dbraw/zinc/09/42/55/642094255.db2.gz QVDOVVHFVGBBSJ-UHFFFAOYSA-N 1 2 297.409 2.118 20 10 CECDLO COc1c(N)nc[nH+]c1NCCCSc1nccs1 ZINC000848665250 642094261 /nfs/dbraw/zinc/09/42/61/642094261.db2.gz QVDOVVHFVGBBSJ-UHFFFAOYSA-N 1 2 297.409 2.118 20 10 CECDLO COC[C@@H](CC[NH2+][C@@H](C)c1cc(F)cc(F)c1O)OC ZINC000850485167 642728785 /nfs/dbraw/zinc/72/87/85/642728785.db2.gz CAYHKRJGDKFMHK-GXSJLCMTSA-N 1 2 289.322 2.373 20 10 CECDLO COc1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)on1 ZINC000877635428 650826672 /nfs/dbraw/zinc/82/66/72/650826672.db2.gz QPSKTINQTUQYLY-UHFFFAOYSA-N 1 2 286.690 2.471 20 10 CECDLO Cc1noc(C2C[NH+](Cc3cccc(Cl)c3O)C2)n1 ZINC000839131593 644169096 /nfs/dbraw/zinc/16/90/96/644169096.db2.gz XABLXUSHNAMCCL-UHFFFAOYSA-N 1 2 279.727 2.336 20 10 CECDLO COCCOCCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756360648 644635655 /nfs/dbraw/zinc/63/56/55/644635655.db2.gz UYYMNDCQXXEJJO-SNVBAGLBSA-N 1 2 289.322 2.374 20 10 CECDLO C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cc(F)cc(F)c1O ZINC000756395845 644643506 /nfs/dbraw/zinc/64/35/06/644643506.db2.gz ZRQMKRNZELWUTK-MRVPVSSYSA-N 1 2 294.305 2.059 20 10 CECDLO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2csnn2)c1O ZINC000839661812 644766582 /nfs/dbraw/zinc/76/65/82/644766582.db2.gz GMOOJCZUWKQPKX-ZETCQYMHSA-N 1 2 295.339 2.436 20 10 CECDLO COc1cc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)cc1C ZINC000768444570 646124376 /nfs/dbraw/zinc/12/43/76/646124376.db2.gz CZZZSHDNBDVIEM-JGRMJRGVSA-N 1 2 297.420 2.051 20 10 CECDLO COc1cc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)c(O)cc1C ZINC000768444570 646124380 /nfs/dbraw/zinc/12/43/80/646124380.db2.gz CZZZSHDNBDVIEM-JGRMJRGVSA-N 1 2 297.420 2.051 20 10 CECDLO CC[N@H+](CCCO)Cc1cccc(Br)c1O ZINC000769482961 646276164 /nfs/dbraw/zinc/27/61/64/646276164.db2.gz MEFKBSZATYHKHE-UHFFFAOYSA-N 1 2 288.185 2.359 20 10 CECDLO CC[N@@H+](CCCO)Cc1cccc(Br)c1O ZINC000769482961 646276170 /nfs/dbraw/zinc/27/61/70/646276170.db2.gz MEFKBSZATYHKHE-UHFFFAOYSA-N 1 2 288.185 2.359 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1F ZINC000862530734 646485954 /nfs/dbraw/zinc/48/59/54/646485954.db2.gz RVIYFBOOKNENEX-CYBMUJFWSA-N 1 2 284.350 2.452 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1F ZINC000862530734 646485963 /nfs/dbraw/zinc/48/59/63/646485963.db2.gz RVIYFBOOKNENEX-CYBMUJFWSA-N 1 2 284.350 2.452 20 10 CECDLO COC(=O)N1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775657959 646977103 /nfs/dbraw/zinc/97/71/03/646977103.db2.gz IUSKOSZGBVSRGL-UHFFFAOYSA-N 1 2 298.770 2.238 20 10 CECDLO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cc(F)cc(F)c1O ZINC000779065408 647284503 /nfs/dbraw/zinc/28/45/03/647284503.db2.gz POLWUHLWFTZKHE-UPZJHPNMSA-N 1 2 271.307 2.480 20 10 CECDLO C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)n1cc[nH+]c1 ZINC000871206235 649033313 /nfs/dbraw/zinc/03/33/13/649033313.db2.gz WZRHGOUNUFDXOX-NSHDSACASA-N 1 2 271.320 2.082 20 10 CECDLO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)c1ccccc1O ZINC000879651094 651335630 /nfs/dbraw/zinc/33/56/30/651335630.db2.gz HVPRPEQDYVEUCG-CMPLNLGQSA-N 1 2 251.326 2.385 20 10 CECDLO CC[N@H+](Cc1c(O)cc(F)cc1F)CC(C)(C)O ZINC001140584050 803185944 /nfs/dbraw/zinc/18/59/44/803185944.db2.gz DVAHYJOVJNDFCX-UHFFFAOYSA-N 1 2 259.296 2.263 20 10 CECDLO CC[N@@H+](Cc1c(O)cc(F)cc1F)CC(C)(C)O ZINC001140584050 803185946 /nfs/dbraw/zinc/18/59/46/803185946.db2.gz DVAHYJOVJNDFCX-UHFFFAOYSA-N 1 2 259.296 2.263 20 10 CECDLO Cc1noc([C@H]2CC[N@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140584600 803186011 /nfs/dbraw/zinc/18/60/11/803186011.db2.gz YGAAUNNKYYNJCQ-VIFPVBQESA-N 1 2 295.289 2.351 20 10 CECDLO Cc1noc([C@H]2CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140584600 803186013 /nfs/dbraw/zinc/18/60/13/803186013.db2.gz YGAAUNNKYYNJCQ-VIFPVBQESA-N 1 2 295.289 2.351 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000725000038 803383294 /nfs/dbraw/zinc/38/32/94/803383294.db2.gz IYTOMAZILAUZPN-QDYJBQRPSA-N 1 2 253.729 2.049 20 10 CECDLO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N)cc1 ZINC001120268495 815209690 /nfs/dbraw/zinc/20/96/90/815209690.db2.gz GHJKCQAKPXCVJA-KRWDZBQOSA-N 1 2 295.386 2.250 20 10 CECDLO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N)cc1 ZINC001120268495 815209694 /nfs/dbraw/zinc/20/96/94/815209694.db2.gz GHJKCQAKPXCVJA-KRWDZBQOSA-N 1 2 295.386 2.250 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CC(=O)N1 ZINC001143103602 809018441 /nfs/dbraw/zinc/01/84/41/809018441.db2.gz GTBRHQHGOMNUCQ-LLVKDONJSA-N 1 2 276.380 2.010 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC(=O)N1 ZINC001143103602 809018448 /nfs/dbraw/zinc/01/84/48/809018448.db2.gz GTBRHQHGOMNUCQ-LLVKDONJSA-N 1 2 276.380 2.010 20 10 CECDLO C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708159549 809922474 /nfs/dbraw/zinc/92/24/74/809922474.db2.gz YTOCZFGWIYBMMQ-ZCFIWIBFSA-N 1 2 294.576 2.279 20 10 CECDLO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2O)CCN1C1CCC1 ZINC000708677964 809933184 /nfs/dbraw/zinc/93/31/84/809933184.db2.gz AIAWFRWZGFQPJK-ZDUSSCGKSA-N 1 2 294.782 2.289 20 10 CECDLO CCc1cccc(C[N@H+](C)Cc2nccn2C)c1O ZINC000821982769 810576540 /nfs/dbraw/zinc/57/65/40/810576540.db2.gz MPOKZCFVJGNDGO-UHFFFAOYSA-N 1 2 259.353 2.320 20 10 CECDLO CCc1cccc(C[N@@H+](C)Cc2nccn2C)c1O ZINC000821982769 810576544 /nfs/dbraw/zinc/57/65/44/810576544.db2.gz MPOKZCFVJGNDGO-UHFFFAOYSA-N 1 2 259.353 2.320 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCc1cnccn1 ZINC000390072581 813259783 /nfs/dbraw/zinc/25/97/83/813259783.db2.gz VJKVCLZDIXTTLJ-UHFFFAOYSA-N 1 2 263.728 2.168 20 10 CECDLO Oc1cccc(F)c1C[NH+]1CCN(c2ccccn2)CC1 ZINC001137831788 815690670 /nfs/dbraw/zinc/69/06/70/815690670.db2.gz NPNHYSVNTOUHKL-UHFFFAOYSA-N 1 2 287.338 2.249 20 10 CECDLO Oc1cccc(F)c1C[NH+]1CCN(c2cccnc2)CC1 ZINC001137833142 815692098 /nfs/dbraw/zinc/69/20/98/815692098.db2.gz UUASZXPRNHNVBF-UHFFFAOYSA-N 1 2 287.338 2.249 20 10 CECDLO C[N@H+](Cc1c(O)cc(F)cc1F)[C@H]1CC[C@H](O)CC1 ZINC001140582550 816290475 /nfs/dbraw/zinc/29/04/75/816290475.db2.gz JWBPRWNAHJRCGX-XYPYZODXSA-N 1 2 271.307 2.406 20 10 CECDLO C[N@@H+](Cc1c(O)cc(F)cc1F)[C@H]1CC[C@H](O)CC1 ZINC001140582550 816290481 /nfs/dbraw/zinc/29/04/81/816290481.db2.gz JWBPRWNAHJRCGX-XYPYZODXSA-N 1 2 271.307 2.406 20 10 CECDLO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583838 816293430 /nfs/dbraw/zinc/29/34/30/816293430.db2.gz VQZQXCVOLYTZCY-NXEZZACHSA-N 1 2 299.317 2.301 20 10 CECDLO COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583838 816293432 /nfs/dbraw/zinc/29/34/32/816293432.db2.gz VQZQXCVOLYTZCY-NXEZZACHSA-N 1 2 299.317 2.301 20 10 CECDLO CC[N@H+](CCC(=O)OC)Cc1c(O)cc(F)cc1F ZINC001140585749 816294902 /nfs/dbraw/zinc/29/49/02/816294902.db2.gz SXQYOAPDYLMUGR-UHFFFAOYSA-N 1 2 273.279 2.055 20 10 CECDLO CC[N@@H+](CCC(=O)OC)Cc1c(O)cc(F)cc1F ZINC001140585749 816294908 /nfs/dbraw/zinc/29/49/08/816294908.db2.gz SXQYOAPDYLMUGR-UHFFFAOYSA-N 1 2 273.279 2.055 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)c(Cl)c1 ZINC001140921749 816410797 /nfs/dbraw/zinc/41/07/97/816410797.db2.gz OSLWLKVLCQTZTP-CQSZACIVSA-N 1 2 286.778 2.312 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CC[C@](F)(CO)C2)c(Cl)c1 ZINC001140921749 816410801 /nfs/dbraw/zinc/41/08/01/816410801.db2.gz OSLWLKVLCQTZTP-CQSZACIVSA-N 1 2 286.778 2.312 20 10 CECDLO Cc1ccc(C[N@@H+]2CCN(C3CCCC3)C(=O)C2)c(O)c1 ZINC001140950367 816421918 /nfs/dbraw/zinc/42/19/18/816421918.db2.gz ZTCPBVIUNVFYEG-UHFFFAOYSA-N 1 2 288.391 2.287 20 10 CECDLO Cc1ccc(C[N@H+]2CCN(C3CCCC3)C(=O)C2)c(O)c1 ZINC001140950367 816421922 /nfs/dbraw/zinc/42/19/22/816421922.db2.gz ZTCPBVIUNVFYEG-UHFFFAOYSA-N 1 2 288.391 2.287 20 10 CECDLO CN1CCOc2cc(C[N@@H+]3CCC(=O)C(C)(C)C3)ccc21 ZINC001141143937 816485467 /nfs/dbraw/zinc/48/54/67/816485467.db2.gz OPRYDBXCUAZHHJ-UHFFFAOYSA-N 1 2 288.391 2.316 20 10 CECDLO CN1CCOc2cc(C[N@H+]3CCC(=O)C(C)(C)C3)ccc21 ZINC001141143937 816485471 /nfs/dbraw/zinc/48/54/71/816485471.db2.gz OPRYDBXCUAZHHJ-UHFFFAOYSA-N 1 2 288.391 2.316 20 10 CECDLO C[N@H+](Cc1cnccn1)Cc1cc(F)c(F)cc1O ZINC001142524689 816679182 /nfs/dbraw/zinc/67/91/82/816679182.db2.gz GPBSZWNXELAGGZ-UHFFFAOYSA-N 1 2 265.263 2.092 20 10 CECDLO C[N@@H+](Cc1cnccn1)Cc1cc(F)c(F)cc1O ZINC001142524689 816679186 /nfs/dbraw/zinc/67/91/86/816679186.db2.gz GPBSZWNXELAGGZ-UHFFFAOYSA-N 1 2 265.263 2.092 20 10 CECDLO COCC[NH+](CCOC)Cc1cccc(Cl)c1O ZINC000124509089 365652954 /nfs/dbraw/zinc/65/29/54/365652954.db2.gz XHASGXPXURYSBM-UHFFFAOYSA-N 1 2 273.760 2.140 20 10 CECDLO COC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000180328061 368376126 /nfs/dbraw/zinc/37/61/26/368376126.db2.gz BYOCGPIXDNYVJY-ZDUSSCGKSA-N 1 2 285.771 2.201 20 10 CECDLO COC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C)c2O)CCO1 ZINC000180328061 368376130 /nfs/dbraw/zinc/37/61/30/368376130.db2.gz BYOCGPIXDNYVJY-ZDUSSCGKSA-N 1 2 285.771 2.201 20 10 CECDLO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(F)c(F)c1O ZINC000282175498 296119924 /nfs/dbraw/zinc/11/99/24/296119924.db2.gz FIHPWSODRSFOCV-LILOVNGRSA-N 1 2 289.347 2.232 20 10 CECDLO O=C(c1cccc(O)c1O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000187049115 369092189 /nfs/dbraw/zinc/09/21/89/369092189.db2.gz WKLFDXDGLCCBEG-LLVKDONJSA-N 1 2 287.319 2.188 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000187985872 369270652 /nfs/dbraw/zinc/27/06/52/369270652.db2.gz VLIWGFPBZJPGGH-KOLCDFICSA-N 1 2 255.745 2.296 20 10 CECDLO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(F)c(F)c1O ZINC000189335215 369499651 /nfs/dbraw/zinc/49/96/51/369499651.db2.gz NZLIZKLRHUNWMI-BBBLOLIVSA-N 1 2 271.307 2.482 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273363763 373753819 /nfs/dbraw/zinc/75/38/19/373753819.db2.gz DNZCJGQNOGYLKJ-WDEREUQCSA-N 1 2 290.323 2.236 20 10 CECDLO Cc1ccc([C@@H](C)[NH2+]CC(F)(F)CO)c(O)c1C ZINC000274455385 373929680 /nfs/dbraw/zinc/92/96/80/373929680.db2.gz ZNUDKAJLHWVTDP-SNVBAGLBSA-N 1 2 259.296 2.287 20 10 CECDLO CCN(CC)c1ccc(C[NH+]2CC(n3ccnn3)C2)cc1 ZINC000371609064 373933879 /nfs/dbraw/zinc/93/38/79/373933879.db2.gz UJOGQVMBYSFWFH-UHFFFAOYSA-N 1 2 285.395 2.181 20 10 CECDLO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@@]1=O ZINC000277647683 374592450 /nfs/dbraw/zinc/59/24/50/374592450.db2.gz OBSLSVISSMSDIC-YUNKPMOVSA-N 1 2 298.427 2.235 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@@]1=O ZINC000277647683 374592457 /nfs/dbraw/zinc/59/24/57/374592457.db2.gz OBSLSVISSMSDIC-YUNKPMOVSA-N 1 2 298.427 2.235 20 10 CECDLO CC[C@@H]([NH2+]Cc1nncn1C)c1cccc(Cl)c1O ZINC000287565612 376261988 /nfs/dbraw/zinc/26/19/88/376261988.db2.gz GKSLDRPICUCFNI-LLVKDONJSA-N 1 2 280.759 2.415 20 10 CECDLO CC[C@@H]([NH2+][C@H](CCO)COC)c1cccc(Cl)c1O ZINC000287740484 376304871 /nfs/dbraw/zinc/30/48/71/376304871.db2.gz PQLNGJJXAPRRGW-ZWNOBZJWSA-N 1 2 287.787 2.484 20 10 CECDLO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294816411 378021414 /nfs/dbraw/zinc/02/14/14/378021414.db2.gz XDMVTSQNSFNMEW-NWDGAFQWSA-N 1 2 273.735 2.434 20 10 CECDLO C[C@H](CCCO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293499261 395237742 /nfs/dbraw/zinc/23/77/42/395237742.db2.gz BHSYGKZXJYEQPW-MRVPVSSYSA-N 1 2 261.724 2.435 20 10 CECDLO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(F)cc1O ZINC000183844162 395265588 /nfs/dbraw/zinc/26/55/88/395265588.db2.gz OGOVIUKIPWDWAP-SNVBAGLBSA-N 1 2 290.342 2.310 20 10 CECDLO Cn1cnnc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000154082541 261087556 /nfs/dbraw/zinc/08/75/56/261087556.db2.gz LHOAXZFGJXYJJC-UHFFFAOYSA-N 1 2 299.422 2.437 20 10 CECDLO Cn1cnnc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000154082541 261087558 /nfs/dbraw/zinc/08/75/58/261087558.db2.gz LHOAXZFGJXYJJC-UHFFFAOYSA-N 1 2 299.422 2.437 20 10 CECDLO CCOc1cccc(CNc2ccc(CO)c[nH+]2)c1O ZINC000291686408 263124927 /nfs/dbraw/zinc/12/49/27/263124927.db2.gz XOUBBXPLAYOJQJ-UHFFFAOYSA-N 1 2 274.320 2.290 20 10 CECDLO CCN(Cc1[nH+]ccn1C)c1ccc(OC)c(OC)c1 ZINC000299560531 263247237 /nfs/dbraw/zinc/24/72/37/263247237.db2.gz FHNURMJKSCFRRF-UHFFFAOYSA-N 1 2 275.352 2.464 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@](F)(CO)C2)c1O ZINC000367864015 267123387 /nfs/dbraw/zinc/12/33/87/267123387.db2.gz HWINASRASWWPQH-HNNXBMFYSA-N 1 2 299.317 2.030 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@](F)(CO)C2)c1O ZINC000367864015 267123389 /nfs/dbraw/zinc/12/33/89/267123389.db2.gz HWINASRASWWPQH-HNNXBMFYSA-N 1 2 299.317 2.030 20 10 CECDLO COC[C@@H]1CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293518876 522484742 /nfs/dbraw/zinc/48/47/42/522484742.db2.gz AWLYUGVZEFEBKF-VIFPVBQESA-N 1 2 259.708 2.405 20 10 CECDLO COC[C@@H]1CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293518876 522484753 /nfs/dbraw/zinc/48/47/53/522484753.db2.gz AWLYUGVZEFEBKF-VIFPVBQESA-N 1 2 259.708 2.405 20 10 CECDLO COC[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H]1CCCO1 ZINC000279440084 522750433 /nfs/dbraw/zinc/75/04/33/522750433.db2.gz PDBDBPLHZGJZPA-QWHCGFSZSA-N 1 2 285.771 2.329 20 10 CECDLO CC(C)[C@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756586860 574822155 /nfs/dbraw/zinc/82/21/55/574822155.db2.gz VPHHSCAFYPDUOQ-QPUJVOFHSA-N 1 2 259.296 2.338 20 10 CECDLO CCOC(=O)[C@H](CC1CC1)[NH2+]Cc1cc(F)ccc1O ZINC000753572862 575330496 /nfs/dbraw/zinc/33/04/96/575330496.db2.gz VENKITNEXHHKNE-ZDUSSCGKSA-N 1 2 281.327 2.353 20 10 CECDLO Cn1cncc1C[NH2+]Cc1cccc(Cl)c1O ZINC000291446735 624313850 /nfs/dbraw/zinc/31/38/50/624313850.db2.gz CFIBMCNNAHUHGE-UHFFFAOYSA-N 1 2 251.717 2.069 20 10 CECDLO CN(C)c1cc(NCc2ccc(N(C)C)c(F)c2)[nH+]cn1 ZINC000892132163 624342266 /nfs/dbraw/zinc/34/22/66/624342266.db2.gz ZRMZATSEIJTWAV-UHFFFAOYSA-N 1 2 289.358 2.360 20 10 CECDLO CN(C)c1cc(NCc2ccc(N(C)C)c(F)c2)nc[nH+]1 ZINC000892132163 624342267 /nfs/dbraw/zinc/34/22/67/624342267.db2.gz ZRMZATSEIJTWAV-UHFFFAOYSA-N 1 2 289.358 2.360 20 10 CECDLO CC(C)C[C@H](C(=O)NCc1ccccc1O)n1cc[nH+]c1 ZINC000821055132 634616033 /nfs/dbraw/zinc/61/60/33/634616033.db2.gz IAVDYYAQSPNXEI-CQSZACIVSA-N 1 2 287.363 2.492 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000893994718 629074656 /nfs/dbraw/zinc/07/46/56/629074656.db2.gz NMYACRZKYDQHMH-ZDUSSCGKSA-N 1 2 299.317 2.398 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000893994718 629074660 /nfs/dbraw/zinc/07/46/60/629074660.db2.gz NMYACRZKYDQHMH-ZDUSSCGKSA-N 1 2 299.317 2.398 20 10 CECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCC[C@@H]1O ZINC000894090004 629119472 /nfs/dbraw/zinc/11/94/72/629119472.db2.gz YUWOIXQRYGQAGZ-ZANVPECISA-N 1 2 271.307 2.263 20 10 CECDLO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@@H]1CCC[C@@H]1O ZINC000894090004 629119474 /nfs/dbraw/zinc/11/94/74/629119474.db2.gz YUWOIXQRYGQAGZ-ZANVPECISA-N 1 2 271.307 2.263 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH+]1CC2(C1)CCOCC2 ZINC000894976062 629778102 /nfs/dbraw/zinc/77/81/02/629778102.db2.gz ITSPWNLFKHURQI-UHFFFAOYSA-N 1 2 269.291 2.283 20 10 CECDLO COC(=O)[C@@H](CC1CC1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894992398 629782978 /nfs/dbraw/zinc/78/29/78/629782978.db2.gz AVRHUIBLYHZRTO-CYBMUJFWSA-N 1 2 293.363 2.141 20 10 CECDLO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1O ZINC000895437220 630189296 /nfs/dbraw/zinc/18/92/96/630189296.db2.gz JGTGRPCBRQLDEI-ZDUSSCGKSA-N 1 2 298.333 2.161 20 10 CECDLO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(F)c1O ZINC000895437220 630189299 /nfs/dbraw/zinc/18/92/99/630189299.db2.gz JGTGRPCBRQLDEI-ZDUSSCGKSA-N 1 2 298.333 2.161 20 10 CECDLO C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C[NH2+]1 ZINC000863483991 631560128 /nfs/dbraw/zinc/56/01/28/631560128.db2.gz GECSVRRHAJEBPY-ONGXEEELSA-N 1 2 254.761 2.276 20 10 CECDLO Cc1cn(C(C)(C)C(=O)NCc2cc(C)ccc2O)c[nH+]1 ZINC000899132839 632709404 /nfs/dbraw/zinc/70/94/04/632709404.db2.gz DONBSUYSNBRWKU-UHFFFAOYSA-N 1 2 287.363 2.257 20 10 CECDLO Cn1cnnc1C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816612548 633421753 /nfs/dbraw/zinc/42/17/53/633421753.db2.gz ROGMAPNMLLRICX-UHFFFAOYSA-N 1 2 282.347 2.306 20 10 CECDLO CCCN(Cc1ccccc1O)C(=O)Cc1[nH]cc[nH+]1 ZINC000816914139 633486398 /nfs/dbraw/zinc/48/63/98/633486398.db2.gz FRSICUBRRCZJAW-UHFFFAOYSA-N 1 2 273.336 2.097 20 10 CECDLO C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817950026 633794591 /nfs/dbraw/zinc/79/45/91/633794591.db2.gz QHEMOVVKBSBLIT-GHMZBOCLSA-N 1 2 279.340 2.093 20 10 CECDLO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817984679 633826155 /nfs/dbraw/zinc/82/61/55/633826155.db2.gz XHCDINJMQCJRCB-MWLCHTKSSA-N 1 2 270.323 2.463 20 10 CECDLO CCCN(Cc1ccccc1O)C(=O)Cc1c[nH+]c[nH]1 ZINC000901054453 633940861 /nfs/dbraw/zinc/94/08/61/633940861.db2.gz XNCLWNAHRXXUJC-UHFFFAOYSA-N 1 2 273.336 2.097 20 10 CECDLO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cc(F)cc(F)c1O ZINC000903395077 635091371 /nfs/dbraw/zinc/09/13/71/635091371.db2.gz JFYUCULZKFNJLM-UBJUHAIHSA-N 1 2 257.280 2.356 20 10 CECDLO FCC(CF)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824555571 635449820 /nfs/dbraw/zinc/44/98/20/635449820.db2.gz VEKRQYFKURKFLL-UHFFFAOYSA-N 1 2 288.313 2.060 20 10 CECDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CCC1 ZINC000826867795 635866330 /nfs/dbraw/zinc/86/63/30/635866330.db2.gz LRQZXXGYYSXXAJ-LBPRGKRZSA-N 1 2 273.735 2.435 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827293411 636281859 /nfs/dbraw/zinc/28/18/59/636281859.db2.gz YSYJYAGPVPLTFG-TVQRCGJNSA-N 1 2 271.719 2.141 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827293411 636281863 /nfs/dbraw/zinc/28/18/63/636281863.db2.gz YSYJYAGPVPLTFG-TVQRCGJNSA-N 1 2 271.719 2.141 20 10 CECDLO COc1ccc2c(c1)CCC[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC000827377781 636310096 /nfs/dbraw/zinc/31/00/96/636310096.db2.gz FLBJGBAGIHSXMD-CYBMUJFWSA-N 1 2 288.391 2.364 20 10 CECDLO COc1ccc2c(c1)CCC[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC000827377781 636310098 /nfs/dbraw/zinc/31/00/98/636310098.db2.gz FLBJGBAGIHSXMD-CYBMUJFWSA-N 1 2 288.391 2.364 20 10 CECDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)C1(CO)CC1 ZINC000827903600 636456717 /nfs/dbraw/zinc/45/67/17/636456717.db2.gz LLEOCHDPOAKCBO-UHFFFAOYSA-N 1 2 259.708 2.141 20 10 CECDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)C1(CO)CC1 ZINC000827903600 636456721 /nfs/dbraw/zinc/45/67/21/636456721.db2.gz LLEOCHDPOAKCBO-UHFFFAOYSA-N 1 2 259.708 2.141 20 10 CECDLO C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1O ZINC000827941460 636465559 /nfs/dbraw/zinc/46/55/59/636465559.db2.gz SAFJLXRTESGFGY-VXGBXAGGSA-N 1 2 285.347 2.029 20 10 CECDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000827960257 636471050 /nfs/dbraw/zinc/47/10/50/636471050.db2.gz MNXMENAECRSRHQ-NWDGAFQWSA-N 1 2 285.347 2.029 20 10 CECDLO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000841032957 639625259 /nfs/dbraw/zinc/62/52/59/639625259.db2.gz KRBCJSJXVNNPNO-NSHDSACASA-N 1 2 254.761 2.277 20 10 CECDLO [NH3+]C[C@@H]([NH2+]Cc1cccc(F)c1[O-])C1CCCC1 ZINC000841085745 639652238 /nfs/dbraw/zinc/65/22/38/639652238.db2.gz CGJMLPZXOJZSCH-CYBMUJFWSA-N 1 2 252.333 2.138 20 10 CECDLO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1O ZINC000877145757 650593810 /nfs/dbraw/zinc/59/38/10/650593810.db2.gz BVWUZNQZRTXMMO-BDAKNGLRSA-N 1 2 286.322 2.063 20 10 CECDLO Cc1noc(C[N@@H+](C)Cc2cc(C)cc(C)c2O)n1 ZINC000848503582 642017146 /nfs/dbraw/zinc/01/71/46/642017146.db2.gz IXXHSQDHFKGUTQ-UHFFFAOYSA-N 1 2 261.325 2.332 20 10 CECDLO Cc1noc(C[N@H+](C)Cc2cc(C)cc(C)c2O)n1 ZINC000848503582 642017152 /nfs/dbraw/zinc/01/71/52/642017152.db2.gz IXXHSQDHFKGUTQ-UHFFFAOYSA-N 1 2 261.325 2.332 20 10 CECDLO CC[C@@H]([NH2+]C[C@@](C)(CO)OC)c1cccc(Cl)c1O ZINC000848556068 642051193 /nfs/dbraw/zinc/05/11/93/642051193.db2.gz LRDCMFIUWAJLBP-OCCSQVGLSA-N 1 2 287.787 2.484 20 10 CECDLO CCC[C@@H]([NH2+]Cc1cc(C)ccc1O)C(=O)OC ZINC000083385017 642064676 /nfs/dbraw/zinc/06/46/76/642064676.db2.gz JPMYAUSLQJHVAL-GFCCVEGCSA-N 1 2 251.326 2.132 20 10 CECDLO COC(=O)[C@H]([NH2+]Cc1ccc(C)cc1O)C(C)(C)C ZINC000083482119 642162734 /nfs/dbraw/zinc/16/27/34/642162734.db2.gz YXNDIWJDZOWZQD-ZDUSSCGKSA-N 1 2 265.353 2.378 20 10 CECDLO C[C@H]1C[NH+]=C(NCc2cc(Cl)cc(Cl)c2O)N1 ZINC000849028162 642241055 /nfs/dbraw/zinc/24/10/55/642241055.db2.gz DAXHSSZLNQDYQF-LURJTMIESA-N 1 2 274.151 2.136 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1CNC1=[NH+]CCCN1 ZINC000849214713 642285328 /nfs/dbraw/zinc/28/53/28/642285328.db2.gz IDZSDAPTRGONIK-UHFFFAOYSA-N 1 2 274.151 2.138 20 10 CECDLO Cc1cccc(O)c1C[NH2+]Cc1noc(C2CC2)n1 ZINC000877491615 650748639 /nfs/dbraw/zinc/74/86/39/650748639.db2.gz AREIZMBOGIGFFX-UHFFFAOYSA-N 1 2 259.309 2.251 20 10 CECDLO CC[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@@H](C)C1 ZINC000877516386 650760814 /nfs/dbraw/zinc/76/08/14/650760814.db2.gz DQUIPRLJKIFNLQ-JTQLQIEISA-N 1 2 270.323 2.196 20 10 CECDLO CC[N@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@@H](C)C1 ZINC000877516386 650760816 /nfs/dbraw/zinc/76/08/16/650760816.db2.gz DQUIPRLJKIFNLQ-JTQLQIEISA-N 1 2 270.323 2.196 20 10 CECDLO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(F)c(F)c3O)[C@@H]2C1 ZINC000877598292 650807881 /nfs/dbraw/zinc/80/78/81/650807881.db2.gz CPZFEMQAMMHQGI-GXFFZTMASA-N 1 2 282.334 2.196 20 10 CECDLO C[N@H+]1C[C@@H]2CCCN(Cc3ccc(F)c(F)c3O)[C@@H]2C1 ZINC000877598292 650807884 /nfs/dbraw/zinc/80/78/84/650807884.db2.gz CPZFEMQAMMHQGI-GXFFZTMASA-N 1 2 282.334 2.196 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000789585489 644264082 /nfs/dbraw/zinc/26/40/82/644264082.db2.gz AAGDIFNNMWAVQK-LDYMZIIASA-N 1 2 273.735 2.435 20 10 CECDLO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756585609 644672772 /nfs/dbraw/zinc/67/27/72/644672772.db2.gz KZTRVYOBLXVCBB-YMTOWFKASA-N 1 2 289.322 2.109 20 10 CECDLO C[C@@H]([NH2+]CCn1cccn1)c1cc(F)cc(F)c1O ZINC000756685548 644682917 /nfs/dbraw/zinc/68/29/17/644682917.db2.gz NELKFSLJCXLCRH-SECBINFHSA-N 1 2 267.279 2.218 20 10 CECDLO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756773961 644691565 /nfs/dbraw/zinc/69/15/65/644691565.db2.gz DFKBRZZIAZYPML-PLMOITTCSA-N 1 2 298.333 2.236 20 10 CECDLO CN(C)c1cc(F)c(C[NH2+]Cc2cc[nH]n2)cc1F ZINC000858128367 645069946 /nfs/dbraw/zinc/06/99/46/645069946.db2.gz KTTSUNYFFUNYJC-UHFFFAOYSA-N 1 2 266.295 2.044 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@H](O)C(F)(F)F ZINC000809751629 645192027 /nfs/dbraw/zinc/19/20/27/645192027.db2.gz UTBCUFMNAMDDEO-VIFPVBQESA-N 1 2 283.677 2.401 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@H](O)C(F)(F)F ZINC000809751629 645192032 /nfs/dbraw/zinc/19/20/32/645192032.db2.gz UTBCUFMNAMDDEO-VIFPVBQESA-N 1 2 283.677 2.401 20 10 CECDLO C[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1ccccc1O ZINC000864425257 646998320 /nfs/dbraw/zinc/99/83/20/646998320.db2.gz XTYHIXHLUXBVAI-GFCCVEGCSA-N 1 2 288.351 2.039 20 10 CECDLO OC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000776177526 647032509 /nfs/dbraw/zinc/03/25/09/647032509.db2.gz RHYFPNASTPVXFG-NSHDSACASA-N 1 2 259.708 2.045 20 10 CECDLO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cccc(Cl)c1O ZINC000866497479 647807241 /nfs/dbraw/zinc/80/72/41/647807241.db2.gz MRKSBHQDDMEOPJ-JHJVBQTASA-N 1 2 285.771 2.236 20 10 CECDLO C[N@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCOC1 ZINC000792167657 648618430 /nfs/dbraw/zinc/61/84/30/648618430.db2.gz NWFVTDSFSRAJBC-QMMMGPOBSA-N 1 2 259.708 2.405 20 10 CECDLO C[N@@H+](Cc1c(O)ccc(Cl)c1F)[C@H]1CCOC1 ZINC000792167657 648618431 /nfs/dbraw/zinc/61/84/31/648618431.db2.gz NWFVTDSFSRAJBC-QMMMGPOBSA-N 1 2 259.708 2.405 20 10 CECDLO COc1c(O)c(C[NH2+]C(C)(C)C(F)F)ccc1[N+](=O)[O-] ZINC000793256885 648732122 /nfs/dbraw/zinc/73/21/22/648732122.db2.gz TVVNAFQCQWJQHB-UHFFFAOYSA-N 1 2 290.266 2.442 20 10 CECDLO Cc1nonc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000872137658 649288994 /nfs/dbraw/zinc/28/89/94/649288994.db2.gz VAYYTFKAPVDBQC-SSDOTTSWSA-N 1 2 251.261 2.074 20 10 CECDLO CC[C@H]([NH2+]Cc1nonc1C)c1ccc(F)cc1O ZINC000872137807 649289265 /nfs/dbraw/zinc/28/92/65/649289265.db2.gz WTTLFBBUSHPNTG-NSHDSACASA-N 1 2 265.288 2.464 20 10 CECDLO CC(C)N(C)CC[NH2+]Cc1cccc(Cl)c1O ZINC000124758187 649732760 /nfs/dbraw/zinc/73/27/60/649732760.db2.gz WSUKDNVNRKACFL-UHFFFAOYSA-N 1 2 256.777 2.475 20 10 CECDLO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)c2ncnn21 ZINC000883165676 652385260 /nfs/dbraw/zinc/38/52/60/652385260.db2.gz JKMVINKPDROBHI-WRWORJQWSA-N 1 2 280.278 2.058 20 10 CECDLO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)c2ncnn21 ZINC000883165675 652385369 /nfs/dbraw/zinc/38/53/69/652385369.db2.gz JKMVINKPDROBHI-RDDDGLTNSA-N 1 2 280.278 2.058 20 10 CECDLO Cn1ccnc1C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000134103429 652772118 /nfs/dbraw/zinc/77/21/18/652772118.db2.gz LBXGEDDUWZTOSH-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO Cn1ccnc1C[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000134103429 652772122 /nfs/dbraw/zinc/77/21/22/652772122.db2.gz LBXGEDDUWZTOSH-UHFFFAOYSA-N 1 2 265.744 2.411 20 10 CECDLO Cc1cc(NCCc2cc(O)c(O)cc2O)c[nH+]c1C ZINC001168005836 805659551 /nfs/dbraw/zinc/65/95/51/805659551.db2.gz OBJYCOAFMGOHKS-UHFFFAOYSA-N 1 2 274.320 2.470 20 10 CECDLO Oc1cc(O)c(CCNc2cc3cc[nH]c3c[nH+]2)cc1O ZINC001168008384 805674634 /nfs/dbraw/zinc/67/46/34/805674634.db2.gz AJNLQTDFIFGSEJ-UHFFFAOYSA-N 1 2 285.303 2.334 20 10 CECDLO COC(=O)N(C)CC[N@H+](C)Cc1cccc(Cl)c1O ZINC000690816967 803746452 /nfs/dbraw/zinc/74/64/52/803746452.db2.gz PUTVDWKRNSYVAL-UHFFFAOYSA-N 1 2 286.759 2.176 20 10 CECDLO COC(=O)N(C)CC[N@@H+](C)Cc1cccc(Cl)c1O ZINC000690816967 803746458 /nfs/dbraw/zinc/74/64/58/803746458.db2.gz PUTVDWKRNSYVAL-UHFFFAOYSA-N 1 2 286.759 2.176 20 10 CECDLO C[C@]1(F)CCC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010318 807356821 /nfs/dbraw/zinc/35/68/21/807356821.db2.gz OIKIMQGNQMGFPQ-ZDUSSCGKSA-N 1 2 255.289 2.127 20 10 CECDLO C[C@]1(F)CCC[N@@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010318 807356829 /nfs/dbraw/zinc/35/68/29/807356829.db2.gz OIKIMQGNQMGFPQ-ZDUSSCGKSA-N 1 2 255.289 2.127 20 10 CECDLO C[C@H]([NH3+])CN(C)Cc1cc(Br)cc(F)c1O ZINC000715757183 809037485 /nfs/dbraw/zinc/03/74/85/809037485.db2.gz DTACMUQVBAHULO-ZETCQYMHSA-N 1 2 291.164 2.073 20 10 CECDLO C[C@H]([NH3+])C[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715757183 809037491 /nfs/dbraw/zinc/03/74/91/809037491.db2.gz DTACMUQVBAHULO-ZETCQYMHSA-N 1 2 291.164 2.073 20 10 CECDLO C[C@H]([NH3+])C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715757183 809037498 /nfs/dbraw/zinc/03/74/98/809037498.db2.gz DTACMUQVBAHULO-ZETCQYMHSA-N 1 2 291.164 2.073 20 10 CECDLO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cccc(Cl)c1O)C2 ZINC001276379951 813101803 /nfs/dbraw/zinc/10/18/03/813101803.db2.gz CJJSWURYENGGGM-PWSUYJOCSA-N 1 2 266.772 2.182 20 10 CECDLO C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cccc(Cl)c1O)C2 ZINC001276379951 813101808 /nfs/dbraw/zinc/10/18/08/813101808.db2.gz CJJSWURYENGGGM-PWSUYJOCSA-N 1 2 266.772 2.182 20 10 CECDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1csnn1 ZINC000398461878 813673987 /nfs/dbraw/zinc/67/39/87/813673987.db2.gz JELXGOFKYBDOFZ-SNVBAGLBSA-N 1 2 262.382 2.455 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001138128495 815734673 /nfs/dbraw/zinc/73/46/73/815734673.db2.gz NTXRNPOSFGKAEF-OAHLLOKOSA-N 1 2 288.322 2.500 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001138128495 815734677 /nfs/dbraw/zinc/73/46/77/815734677.db2.gz NTXRNPOSFGKAEF-OAHLLOKOSA-N 1 2 288.322 2.500 20 10 CECDLO CN1CCCc2cc(C[NH+]3CC4(CCO4)C3)ccc21 ZINC001138356366 815775293 /nfs/dbraw/zinc/77/52/93/815775293.db2.gz MYDAKRWGRPFGCL-UHFFFAOYSA-N 1 2 258.365 2.044 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001139125193 815964766 /nfs/dbraw/zinc/96/47/66/815964766.db2.gz PAHXLRCXPXOKDB-PHIMTYICSA-N 1 2 271.316 2.259 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001139125193 815964768 /nfs/dbraw/zinc/96/47/68/815964768.db2.gz PAHXLRCXPXOKDB-PHIMTYICSA-N 1 2 271.316 2.259 20 10 CECDLO COC[C@H]1CC[N@@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129884 815965069 /nfs/dbraw/zinc/96/50/69/815965069.db2.gz JCDXJWPONXIBFE-LLVKDONJSA-N 1 2 289.331 2.028 20 10 CECDLO COC[C@H]1CC[N@H+]1Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139129884 815965072 /nfs/dbraw/zinc/96/50/72/815965072.db2.gz JCDXJWPONXIBFE-LLVKDONJSA-N 1 2 289.331 2.028 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCCOCC1 ZINC001139127675 815965192 /nfs/dbraw/zinc/96/51/92/815965192.db2.gz ZVZUZKGICNWJGB-UHFFFAOYSA-N 1 2 289.331 2.029 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCCOCC1 ZINC001139127675 815965197 /nfs/dbraw/zinc/96/51/97/815965197.db2.gz ZVZUZKGICNWJGB-UHFFFAOYSA-N 1 2 289.331 2.029 20 10 CECDLO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c(F)ccc(F)c1O ZINC001139686417 816083996 /nfs/dbraw/zinc/08/39/96/816083996.db2.gz YORPMRNOXOJQJG-GFCCVEGCSA-N 1 2 271.307 2.406 20 10 CECDLO CC(C)(O)[C@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1O ZINC001139686417 816083999 /nfs/dbraw/zinc/08/39/99/816083999.db2.gz YORPMRNOXOJQJG-GFCCVEGCSA-N 1 2 271.307 2.406 20 10 CECDLO Oc1ccc(F)cc1C[NH+]1CC(Oc2cccnc2)C1 ZINC001140055286 816179672 /nfs/dbraw/zinc/17/96/72/816179672.db2.gz QEHZXFDJVALUPT-UHFFFAOYSA-N 1 2 274.295 2.190 20 10 CECDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c(O)cccc1Cl ZINC001140339795 816237912 /nfs/dbraw/zinc/23/79/12/816237912.db2.gz YKDYHIUEJJVANL-ZBINZKHDSA-N 1 2 297.782 2.017 20 10 CECDLO OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c(O)cccc1Cl ZINC001140339795 816237919 /nfs/dbraw/zinc/23/79/19/816237919.db2.gz YKDYHIUEJJVANL-ZBINZKHDSA-N 1 2 297.782 2.017 20 10 CECDLO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140585892 816294570 /nfs/dbraw/zinc/29/45/70/816294570.db2.gz VLBNPJSDRPPUBW-JTQLQIEISA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140585892 816294575 /nfs/dbraw/zinc/29/45/75/816294575.db2.gz VLBNPJSDRPPUBW-JTQLQIEISA-N 1 2 299.317 2.446 20 10 CECDLO O=C1CCC[C@@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@@H]12 ZINC001140584863 816294691 /nfs/dbraw/zinc/29/46/91/816294691.db2.gz HRLDVVDQBMDTME-MWLCHTKSSA-N 1 2 281.302 2.471 20 10 CECDLO O=C1CCC[C@@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@@H]12 ZINC001140584863 816294696 /nfs/dbraw/zinc/29/46/96/816294696.db2.gz HRLDVVDQBMDTME-MWLCHTKSSA-N 1 2 281.302 2.471 20 10 CECDLO Oc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccccn3)C2)c1 ZINC001141160639 816492402 /nfs/dbraw/zinc/49/24/02/816492402.db2.gz GEYRAVBHIFDHNA-INIZCTEOSA-N 1 2 286.331 2.066 20 10 CECDLO Oc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccccn3)C2)c1 ZINC001141160639 816492404 /nfs/dbraw/zinc/49/24/04/816492404.db2.gz GEYRAVBHIFDHNA-INIZCTEOSA-N 1 2 286.331 2.066 20 10 CECDLO C[C@H]1C[NH+](Cc2cc(F)c(F)cc2O)C[C@H](C)O1 ZINC001142502032 816675514 /nfs/dbraw/zinc/67/55/14/816675514.db2.gz GXQGBTJUWUXPKZ-IUCAKERBSA-N 1 2 257.280 2.280 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000187985926 369270281 /nfs/dbraw/zinc/27/02/81/369270281.db2.gz VLIWGFPBZJPGGH-MWLCHTKSSA-N 1 2 255.745 2.296 20 10 CECDLO CN(C)c1ccc(C[N@H+](Cc2ncnn2C)C2CC2)cc1 ZINC000267546110 372076757 /nfs/dbraw/zinc/07/67/57/372076757.db2.gz WSRFXSRJKQQAJH-UHFFFAOYSA-N 1 2 285.395 2.046 20 10 CECDLO CN(C)c1ccc(C[N@@H+](Cc2ncnn2C)C2CC2)cc1 ZINC000267546110 372076763 /nfs/dbraw/zinc/07/67/63/372076763.db2.gz WSRFXSRJKQQAJH-UHFFFAOYSA-N 1 2 285.395 2.046 20 10 CECDLO CC(C)c1nc(N(C)C)nc(NCc2ccccc2O)[nH+]1 ZINC000271158432 373152073 /nfs/dbraw/zinc/15/20/73/373152073.db2.gz IITYNDAJUKCBTE-UHFFFAOYSA-N 1 2 287.367 2.379 20 10 CECDLO CC(C)c1nc(NCc2ccccc2O)nc(N(C)C)[nH+]1 ZINC000271158432 373152080 /nfs/dbraw/zinc/15/20/80/373152080.db2.gz IITYNDAJUKCBTE-UHFFFAOYSA-N 1 2 287.367 2.379 20 10 CECDLO COC(=O)[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000272963241 373734614 /nfs/dbraw/zinc/73/46/14/373734614.db2.gz AYJNRQRCCPDSKZ-YMTOWFKASA-N 1 2 279.336 2.003 20 10 CECDLO CCn1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000273470909 373760211 /nfs/dbraw/zinc/76/02/11/373760211.db2.gz JUHWEJGCJHOFCT-JTQLQIEISA-N 1 2 290.323 2.368 20 10 CECDLO Cc1c(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)cnn1C ZINC000273477836 373760363 /nfs/dbraw/zinc/76/03/63/373760363.db2.gz LGPLXNGDKRTGAF-VIFPVBQESA-N 1 2 290.323 2.193 20 10 CECDLO Cc1cc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC000293040910 377403851 /nfs/dbraw/zinc/40/38/51/377403851.db2.gz JRPQLCPZFWPHTH-YRVVQQKDSA-N 1 2 294.464 2.402 20 10 CECDLO Cc1cc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC000293040910 377403857 /nfs/dbraw/zinc/40/38/57/377403857.db2.gz JRPQLCPZFWPHTH-YRVVQQKDSA-N 1 2 294.464 2.402 20 10 CECDLO COc1ccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)cc1OC ZINC000492774175 380683869 /nfs/dbraw/zinc/68/38/69/380683869.db2.gz WQIDBLVQQIHXQP-DAXSKMNVSA-N 1 2 287.319 2.103 20 10 CECDLO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@]1=O ZINC000277647689 394823581 /nfs/dbraw/zinc/82/35/81/394823581.db2.gz OBSLSVISSMSDIC-FKIZINRSSA-N 1 2 298.427 2.235 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@]1=O ZINC000277647689 394823602 /nfs/dbraw/zinc/82/36/02/394823602.db2.gz OBSLSVISSMSDIC-FKIZINRSSA-N 1 2 298.427 2.235 20 10 CECDLO C[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000133691429 394954707 /nfs/dbraw/zinc/95/47/07/394954707.db2.gz BYWXVLPLBIDRJW-VIFPVBQESA-N 1 2 269.316 2.351 20 10 CECDLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1cccc(C)c1O ZINC000158700897 395052653 /nfs/dbraw/zinc/05/26/53/395052653.db2.gz WVWXYFDDXYTENG-CYBMUJFWSA-N 1 2 265.353 2.378 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ncon1 ZINC000361050588 261153110 /nfs/dbraw/zinc/15/31/10/261153110.db2.gz HRXDDCNQQYWIFV-NSHDSACASA-N 1 2 263.272 2.251 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ncon1 ZINC000361050588 261153112 /nfs/dbraw/zinc/15/31/12/261153112.db2.gz HRXDDCNQQYWIFV-NSHDSACASA-N 1 2 263.272 2.251 20 10 CECDLO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000276916181 263038607 /nfs/dbraw/zinc/03/86/07/263038607.db2.gz LRQWYRVTDLAYJQ-DTWKUNHWSA-N 1 2 257.280 2.358 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377707913 329026423 /nfs/dbraw/zinc/02/64/23/329026423.db2.gz WIZHMHRYUQUIMP-UKRRQHHQSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377707913 329026424 /nfs/dbraw/zinc/02/64/24/329026424.db2.gz WIZHMHRYUQUIMP-UKRRQHHQSA-N 1 2 297.782 2.425 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@H]2CCCN2c2ccccc21 ZINC000492814289 332414516 /nfs/dbraw/zinc/41/45/16/332414516.db2.gz UHHRUBADBJDISJ-HSBSLETESA-N 1 2 294.358 2.439 20 10 CECDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncn(C)n2)c(O)c1 ZINC000275747641 334794601 /nfs/dbraw/zinc/79/46/01/334794601.db2.gz REHAIFVPOQNDRA-WDEREUQCSA-N 1 2 260.341 2.241 20 10 CECDLO CCOCc1nc([C@@H](C)[NH2+]Cc2cccc(C)c2O)no1 ZINC000291465097 520217312 /nfs/dbraw/zinc/21/73/12/520217312.db2.gz DLEKLZXHACRKDV-LLVKDONJSA-N 1 2 291.351 2.471 20 10 CECDLO COC(=O)[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000276426024 523927244 /nfs/dbraw/zinc/92/72/44/523927244.db2.gz GWOQKKWIRHLDBV-GFCCVEGCSA-N 1 2 299.754 2.095 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(F)cc1O ZINC000276642047 525625140 /nfs/dbraw/zinc/62/51/40/525625140.db2.gz OWOAHINPMHRDGC-BDAKNGLRSA-N 1 2 264.304 2.072 20 10 CECDLO COc1cccc(C[N@H+](C)Cc2nncn2C(C)C)c1O ZINC000292891719 525917389 /nfs/dbraw/zinc/91/73/89/525917389.db2.gz ZAYANAPFEDIXAX-UHFFFAOYSA-N 1 2 290.367 2.205 20 10 CECDLO COc1cccc(C[N@@H+](C)Cc2nncn2C(C)C)c1O ZINC000292891719 525917399 /nfs/dbraw/zinc/91/73/99/525917399.db2.gz ZAYANAPFEDIXAX-UHFFFAOYSA-N 1 2 290.367 2.205 20 10 CECDLO Oc1cccc(Cl)c1CNCC[NH+]1CCCC1 ZINC000083551495 526363927 /nfs/dbraw/zinc/36/39/27/526363927.db2.gz DNAQXVXVKHKLIM-UHFFFAOYSA-N 1 2 254.761 2.231 20 10 CECDLO Oc1cccc(Cl)c1C[NH+]1CCN(C2CC2)CC1 ZINC000127925707 526363264 /nfs/dbraw/zinc/36/32/64/526363264.db2.gz IBZXLXQDBNSHMD-UHFFFAOYSA-N 1 2 266.772 2.326 20 10 CECDLO Cn1ccc(C[NH2+]Cc2cccc(Br)c2O)n1 ZINC000213178959 527359021 /nfs/dbraw/zinc/35/90/21/527359021.db2.gz OYXNPOVRWXUFOM-UHFFFAOYSA-N 1 2 296.168 2.178 20 10 CECDLO CCC(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726562104 574427488 /nfs/dbraw/zinc/42/74/88/574427488.db2.gz FTGBRACNLVWJDB-UHFFFAOYSA-N 1 2 262.353 2.190 20 10 CECDLO Cc1noc([C@@H](C)[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC000733328462 574664403 /nfs/dbraw/zinc/66/44/03/574664403.db2.gz RRZHMUUBGVDTLJ-SECBINFHSA-N 1 2 278.331 2.434 20 10 CECDLO CC[C@H]([NH2+]Cc1cnn(C)n1)c1cccc(Cl)c1O ZINC000806167194 622852670 /nfs/dbraw/zinc/85/26/70/622852670.db2.gz NZGMRSPRUKQJAJ-LBPRGKRZSA-N 1 2 280.759 2.415 20 10 CECDLO COc1ccc(C[N@H+](C)Cc2cc(C)on2)c(O)c1OC ZINC000891670162 623878810 /nfs/dbraw/zinc/87/88/10/623878810.db2.gz GTCLLPXSTUHANL-UHFFFAOYSA-N 1 2 292.335 2.338 20 10 CECDLO COc1ccc(C[N@@H+](C)Cc2cc(C)on2)c(O)c1OC ZINC000891670162 623878826 /nfs/dbraw/zinc/87/88/26/623878826.db2.gz GTCLLPXSTUHANL-UHFFFAOYSA-N 1 2 292.335 2.338 20 10 CECDLO Cc1nc([C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)n[nH]1 ZINC000895008364 629799316 /nfs/dbraw/zinc/79/93/16/629799316.db2.gz WCWBIKWMJMDNAL-SNVBAGLBSA-N 1 2 292.770 2.462 20 10 CECDLO Cc1nc([C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)n[nH]1 ZINC000895008364 629799319 /nfs/dbraw/zinc/79/93/19/629799319.db2.gz WCWBIKWMJMDNAL-SNVBAGLBSA-N 1 2 292.770 2.462 20 10 CECDLO CCN1CC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895668593 630298821 /nfs/dbraw/zinc/29/88/21/630298821.db2.gz OKXUJOHZELAPAO-NSHDSACASA-N 1 2 272.751 2.369 20 10 CECDLO Oc1c(Cl)cccc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895696595 630308850 /nfs/dbraw/zinc/30/88/50/630308850.db2.gz WRIYNTJCINRYJI-UHFFFAOYSA-N 1 2 297.782 2.427 20 10 CECDLO CCN(CC)c1ccc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000800538000 631134005 /nfs/dbraw/zinc/13/40/05/631134005.db2.gz ILJHTPRADWPDIS-CQSZACIVSA-N 1 2 289.423 2.195 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)cc1 ZINC000800538000 631134006 /nfs/dbraw/zinc/13/40/06/631134006.db2.gz ILJHTPRADWPDIS-CQSZACIVSA-N 1 2 289.423 2.195 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897817857 631929451 /nfs/dbraw/zinc/92/94/51/631929451.db2.gz BVZSIGPKPJOQMD-SPWWOFFBSA-N 1 2 265.740 2.311 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@H](F)C2)cc1Cl ZINC000898187327 632101402 /nfs/dbraw/zinc/10/14/02/632101402.db2.gz FFVNTXIVCLNDAZ-NEPJUHHUSA-N 1 2 273.735 2.259 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CC[C@H](O)[C@H](F)C2)cc1Cl ZINC000898187327 632101405 /nfs/dbraw/zinc/10/14/05/632101405.db2.gz FFVNTXIVCLNDAZ-NEPJUHHUSA-N 1 2 273.735 2.259 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)C[C@@H](O)C(F)(F)F ZINC000809751628 632141102 /nfs/dbraw/zinc/14/11/02/632141102.db2.gz UTBCUFMNAMDDEO-SECBINFHSA-N 1 2 283.677 2.401 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)C[C@@H](O)C(F)(F)F ZINC000809751628 632141104 /nfs/dbraw/zinc/14/11/04/632141104.db2.gz UTBCUFMNAMDDEO-SECBINFHSA-N 1 2 283.677 2.401 20 10 CECDLO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000817412437 633651101 /nfs/dbraw/zinc/65/11/01/633651101.db2.gz LIMMRGKHNSLBEV-MNOVXSKESA-N 1 2 269.772 2.496 20 10 CECDLO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000817412437 633651103 /nfs/dbraw/zinc/65/11/03/633651103.db2.gz LIMMRGKHNSLBEV-MNOVXSKESA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O ZINC000903215726 635019416 /nfs/dbraw/zinc/01/94/16/635019416.db2.gz NSLMXKFXTGTSAM-VHSXEESVSA-N 1 2 298.333 2.189 20 10 CECDLO O=C1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CC[C@H]2N1 ZINC000827133054 636229167 /nfs/dbraw/zinc/22/91/67/636229167.db2.gz QVWZBCKVDCVYCV-ZWNOBZJWSA-N 1 2 294.782 2.146 20 10 CECDLO O=C1CC[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CC[C@H]2N1 ZINC000827133054 636229171 /nfs/dbraw/zinc/22/91/71/636229171.db2.gz QVWZBCKVDCVYCV-ZWNOBZJWSA-N 1 2 294.782 2.146 20 10 CECDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1ccc(C)cc1O ZINC000876812816 650442649 /nfs/dbraw/zinc/44/26/49/650442649.db2.gz YZGNNPOBKWKJQS-AWEZNQCLSA-N 1 2 295.379 2.099 20 10 CECDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1ccc(C)cc1O ZINC000876812816 650442651 /nfs/dbraw/zinc/44/26/51/650442651.db2.gz YZGNNPOBKWKJQS-AWEZNQCLSA-N 1 2 295.379 2.099 20 10 CECDLO C[C@H](O)C[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000164499029 639378559 /nfs/dbraw/zinc/37/85/59/639378559.db2.gz JRKIYGVWWQLXSL-IUCAKERBSA-N 1 2 288.185 2.404 20 10 CECDLO COC1CC([NH2+]Cc2cccc(Br)c2O)C1 ZINC000230690759 639783625 /nfs/dbraw/zinc/78/36/25/639783625.db2.gz MQXSXDZHUPBLQT-UHFFFAOYSA-N 1 2 286.169 2.422 20 10 CECDLO Cn1nccc1CC[NH2+]Cc1cccc(Cl)c1O ZINC000231036736 639824019 /nfs/dbraw/zinc/82/40/19/639824019.db2.gz CYGDYWZZOICRDI-UHFFFAOYSA-N 1 2 265.744 2.111 20 10 CECDLO C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000841890809 639900597 /nfs/dbraw/zinc/90/05/97/639900597.db2.gz FOJMNUUTDDSVOA-WVSHTKLVSA-N 1 2 259.708 2.188 20 10 CECDLO Cc1[nH]ncc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057406 640260018 /nfs/dbraw/zinc/26/00/18/640260018.db2.gz KORPAPQMXUOMOP-UHFFFAOYSA-N 1 2 256.353 2.130 20 10 CECDLO CC[C@H]([NH2+]Cc1ccc(F)c(F)c1O)[C@H](O)C(F)(F)F ZINC000877126453 650585254 /nfs/dbraw/zinc/58/52/54/650585254.db2.gz KWVNPEURDKKJLG-KWQFWETISA-N 1 2 299.239 2.462 20 10 CECDLO C[C@H](CC(=O)N(C)Cc1ccccc1O)n1cc[nH+]c1 ZINC000845790834 641090956 /nfs/dbraw/zinc/09/09/56/641090956.db2.gz DMPORNSHBIRJLB-GFCCVEGCSA-N 1 2 273.336 2.198 20 10 CECDLO O=C1C[C@H](C[NH2+]Cc2cccc(Cl)c2O)CN1C1CC1 ZINC000846071601 641173110 /nfs/dbraw/zinc/17/31/10/641173110.db2.gz GUNOCMLRCDNIBR-SNVBAGLBSA-N 1 2 294.782 2.146 20 10 CECDLO CCN1C[C@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1=O ZINC000846207812 641221671 /nfs/dbraw/zinc/22/16/71/641221671.db2.gz GCOHLAXSCJDYMA-UWVGGRQHSA-N 1 2 298.333 2.189 20 10 CECDLO C[N@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000109769798 642924901 /nfs/dbraw/zinc/92/49/01/642924901.db2.gz NGFVKQOWIWRJCW-UHFFFAOYSA-N 1 2 259.309 2.285 20 10 CECDLO C[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000109769798 642924904 /nfs/dbraw/zinc/92/49/04/642924904.db2.gz NGFVKQOWIWRJCW-UHFFFAOYSA-N 1 2 259.309 2.285 20 10 CECDLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccn(C)n1 ZINC000877585646 650801564 /nfs/dbraw/zinc/80/15/64/650801564.db2.gz LASIENJIPCWFLP-QMMMGPOBSA-N 1 2 267.279 2.255 20 10 CECDLO Cc1cccc(O)c1CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000877598494 650807921 /nfs/dbraw/zinc/80/79/21/650807921.db2.gz GTTTYDWJBXRLPC-DZGCQCFKSA-N 1 2 260.381 2.227 20 10 CECDLO Cc1cccc(O)c1CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000877598494 650807926 /nfs/dbraw/zinc/80/79/26/650807926.db2.gz GTTTYDWJBXRLPC-DZGCQCFKSA-N 1 2 260.381 2.227 20 10 CECDLO Cc1cc(C[N@@H+]2CCn3cncc3C2)ccc1N(C)C ZINC000852065010 643286009 /nfs/dbraw/zinc/28/60/09/643286009.db2.gz GZVDLFNWLFDKCP-UHFFFAOYSA-N 1 2 270.380 2.273 20 10 CECDLO Cc1cc(C[N@H+]2CCn3cncc3C2)ccc1N(C)C ZINC000852065010 643286015 /nfs/dbraw/zinc/28/60/15/643286015.db2.gz GZVDLFNWLFDKCP-UHFFFAOYSA-N 1 2 270.380 2.273 20 10 CECDLO C[NH2+]C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000853249364 643722020 /nfs/dbraw/zinc/72/20/20/643722020.db2.gz QCLAAEYIPKWGDN-SSDOTTSWSA-N 1 2 263.168 2.397 20 10 CECDLO COC(=O)Cc1cc[nH+]c(N(C)Cc2ccccc2O)c1 ZINC000853462204 643778688 /nfs/dbraw/zinc/77/86/88/643778688.db2.gz MBGKWVQXNQOKFD-UHFFFAOYSA-N 1 2 286.331 2.139 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1cc(F)cc(F)c1O ZINC000788983940 644248253 /nfs/dbraw/zinc/24/82/53/644248253.db2.gz PDIGLSXGYMHENW-SFYZADRCSA-N 1 2 282.294 2.211 20 10 CECDLO CC(C)C(=O)NCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756374104 644638377 /nfs/dbraw/zinc/63/83/77/644638377.db2.gz XWTAVYZZDDAPQC-SECBINFHSA-N 1 2 286.322 2.093 20 10 CECDLO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1CO ZINC000857061309 644805961 /nfs/dbraw/zinc/80/59/61/644805961.db2.gz OGTNMWXQUPEDFZ-CMPLNLGQSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1CO ZINC000857061309 644805965 /nfs/dbraw/zinc/80/59/65/644805965.db2.gz OGTNMWXQUPEDFZ-CMPLNLGQSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000757655785 644831919 /nfs/dbraw/zinc/83/19/19/644831919.db2.gz KZOSECAAQBWSSE-CIUDSAMLSA-N 1 2 259.296 2.480 20 10 CECDLO CC[N@@H+]1C[C@H](C)N(C(=O)C2=CC(=O)CS2)C[C@H]1C ZINC000766251675 645864239 /nfs/dbraw/zinc/86/42/39/645864239.db2.gz XHBONJZCOXNXCB-ZJUUUORDSA-N 1 2 268.382 2.008 20 10 CECDLO CC[N@H+]1C[C@H](C)N(C(=O)C2=CC(=O)CS2)C[C@H]1C ZINC000766251675 645864243 /nfs/dbraw/zinc/86/42/43/645864243.db2.gz XHBONJZCOXNXCB-ZJUUUORDSA-N 1 2 268.382 2.008 20 10 CECDLO C[N@H+](Cc1cnccn1)Cc1c(O)cccc1Cl ZINC000769150799 646215644 /nfs/dbraw/zinc/21/56/44/646215644.db2.gz DJPBYJJFOKMODB-UHFFFAOYSA-N 1 2 263.728 2.468 20 10 CECDLO C[N@@H+](Cc1cnccn1)Cc1c(O)cccc1Cl ZINC000769150799 646215646 /nfs/dbraw/zinc/21/56/46/646215646.db2.gz DJPBYJJFOKMODB-UHFFFAOYSA-N 1 2 263.728 2.468 20 10 CECDLO CCN(C)c1ccc(C[N@H+](CC(=O)OC)C2CC2)cc1 ZINC000773753262 646772066 /nfs/dbraw/zinc/77/20/66/646772066.db2.gz DXQKPQXPHQNVJD-UHFFFAOYSA-N 1 2 276.380 2.280 20 10 CECDLO CCN(C)c1ccc(C[N@@H+](CC(=O)OC)C2CC2)cc1 ZINC000773753262 646772068 /nfs/dbraw/zinc/77/20/68/646772068.db2.gz DXQKPQXPHQNVJD-UHFFFAOYSA-N 1 2 276.380 2.280 20 10 CECDLO CC[C@H]([NH2+]Cc1ncn(C)n1)c1cc(Cl)ccc1O ZINC000775526580 646962769 /nfs/dbraw/zinc/96/27/69/646962769.db2.gz SFVUMUDOPATPNR-NSHDSACASA-N 1 2 280.759 2.415 20 10 CECDLO OC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775660516 646977655 /nfs/dbraw/zinc/97/76/55/646977655.db2.gz FSFTXFSHWRUHJP-JTQLQIEISA-N 1 2 259.708 2.141 20 10 CECDLO OC[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000775660516 646977656 /nfs/dbraw/zinc/97/76/56/646977656.db2.gz FSFTXFSHWRUHJP-JTQLQIEISA-N 1 2 259.708 2.141 20 10 CECDLO COCc1noc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000775833924 646997851 /nfs/dbraw/zinc/99/78/51/646997851.db2.gz HRYVMZZRDHELRF-NSHDSACASA-N 1 2 290.367 2.133 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000782624077 647645684 /nfs/dbraw/zinc/64/56/84/647645684.db2.gz IYPIZGZGDFTJOX-ABAIWWIYSA-N 1 2 295.766 2.062 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000782624077 647645686 /nfs/dbraw/zinc/64/56/86/647645686.db2.gz IYPIZGZGDFTJOX-ABAIWWIYSA-N 1 2 295.766 2.062 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000792192469 648622244 /nfs/dbraw/zinc/62/22/44/648622244.db2.gz OLKDQTBBMMLONX-MRVPVSSYSA-N 1 2 287.640 2.198 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CC[S@](=O)CC2(C)C)cc1 ZINC000794569683 648885335 /nfs/dbraw/zinc/88/53/35/648885335.db2.gz ZPNQFOITNVUGNL-IBGZPJMESA-N 1 2 280.437 2.096 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CC[S@](=O)CC2(C)C)cc1 ZINC000794569683 648885336 /nfs/dbraw/zinc/88/53/36/648885336.db2.gz ZPNQFOITNVUGNL-IBGZPJMESA-N 1 2 280.437 2.096 20 10 CECDLO CC1(C)[C@H]([NH2+]Cc2cccc(Cl)c2O)C[C@@H]1O ZINC000128179165 651381784 /nfs/dbraw/zinc/38/17/84/651381784.db2.gz LAPNKKFRBOQTLP-MNOVXSKESA-N 1 2 255.745 2.295 20 10 CECDLO Cc1ncc(C[N@@H+](C)Cc2cc(F)c(F)cc2O)cn1 ZINC001142527425 806620838 /nfs/dbraw/zinc/62/08/38/806620838.db2.gz ULUSFNIVIJEFBO-UHFFFAOYSA-N 1 2 279.290 2.401 20 10 CECDLO Cc1ncc(C[N@H+](C)Cc2cc(F)c(F)cc2O)cn1 ZINC001142527425 806620843 /nfs/dbraw/zinc/62/08/43/806620843.db2.gz ULUSFNIVIJEFBO-UHFFFAOYSA-N 1 2 279.290 2.401 20 10 CECDLO Oc1cccc(Br)c1C[NH2+]Cc1cc[nH]n1 ZINC000706842414 802843015 /nfs/dbraw/zinc/84/30/15/802843015.db2.gz HXGYCIKGCCPYAN-UHFFFAOYSA-N 1 2 282.141 2.168 20 10 CECDLO CC(=O)NCCC1=CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001089802464 808142586 /nfs/dbraw/zinc/14/25/86/808142586.db2.gz PAYADLMLSIIOFJ-UHFFFAOYSA-N 1 2 288.395 2.065 20 10 CECDLO C[N@@H+]1CC[C@@]2(CCN(Cc3cc(F)cc(F)c3O)C2)C1 ZINC000708424628 809929598 /nfs/dbraw/zinc/92/95/98/809929598.db2.gz YYEZGNPIRVJNRS-OAHLLOKOSA-N 1 2 282.334 2.198 20 10 CECDLO C[N@H+]1CC[C@@]2(CCN(Cc3cc(F)cc(F)c3O)C2)C1 ZINC000708424628 809929602 /nfs/dbraw/zinc/92/96/02/809929602.db2.gz YYEZGNPIRVJNRS-OAHLLOKOSA-N 1 2 282.334 2.198 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001139684453 816082580 /nfs/dbraw/zinc/08/25/80/816082580.db2.gz VBIVVNSKVDFBLB-NSHDSACASA-N 1 2 282.334 2.341 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001139684453 816082585 /nfs/dbraw/zinc/08/25/85/816082585.db2.gz VBIVVNSKVDFBLB-NSHDSACASA-N 1 2 282.334 2.341 20 10 CECDLO CCOC(=O)C1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC001140341540 816236084 /nfs/dbraw/zinc/23/60/84/816236084.db2.gz VBFRONZAELLGOG-UHFFFAOYSA-N 1 2 269.728 2.041 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+](C1CC1)C1COC1 ZINC001142524629 816679595 /nfs/dbraw/zinc/67/95/95/816679595.db2.gz DVQQRIPMBWNXMY-UHFFFAOYSA-N 1 2 255.264 2.034 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+](C1CC1)C1COC1 ZINC001142524629 816679598 /nfs/dbraw/zinc/67/95/98/816679598.db2.gz DVQQRIPMBWNXMY-UHFFFAOYSA-N 1 2 255.264 2.034 20 10 CECDLO COC(=O)C1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142512896 816679615 /nfs/dbraw/zinc/67/96/15/816679615.db2.gz OYVISSACYWXCPB-UHFFFAOYSA-N 1 2 285.290 2.055 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000124606377 365655523 /nfs/dbraw/zinc/65/55/23/365655523.db2.gz ALNPXSFQSYSFLJ-PHIMTYICSA-N 1 2 253.729 2.409 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000124606377 365655527 /nfs/dbraw/zinc/65/55/27/365655527.db2.gz ALNPXSFQSYSFLJ-PHIMTYICSA-N 1 2 253.729 2.409 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC000092675995 364096761 /nfs/dbraw/zinc/09/67/61/364096761.db2.gz XQPZFCRITQUONV-KRWDZBQOSA-N 1 2 296.370 2.374 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC000092675995 364096768 /nfs/dbraw/zinc/09/67/68/364096768.db2.gz XQPZFCRITQUONV-KRWDZBQOSA-N 1 2 296.370 2.374 20 10 CECDLO CCC[N@H+](CC(=O)OC)Cc1c(O)cccc1Cl ZINC000269375928 372433853 /nfs/dbraw/zinc/43/38/53/372433853.db2.gz VXCQTARVLPGRTC-UHFFFAOYSA-N 1 2 271.744 2.431 20 10 CECDLO CCC[N@@H+](CC(=O)OC)Cc1c(O)cccc1Cl ZINC000269375928 372433859 /nfs/dbraw/zinc/43/38/59/372433859.db2.gz VXCQTARVLPGRTC-UHFFFAOYSA-N 1 2 271.744 2.431 20 10 CECDLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000271195883 373175220 /nfs/dbraw/zinc/17/52/20/373175220.db2.gz HKPXJEPOXSWXMA-CYBMUJFWSA-N 1 2 287.718 2.133 20 10 CECDLO CCOCCOC1C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000272428438 373480932 /nfs/dbraw/zinc/48/09/32/373480932.db2.gz PVJIZRWZWAWYSY-UHFFFAOYSA-N 1 2 285.771 2.283 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000371514271 373907264 /nfs/dbraw/zinc/90/72/64/373907264.db2.gz LPVDWWQIARPLJJ-WFASDCNBSA-N 1 2 297.782 2.473 20 10 CECDLO OCC[N@H+](Cc1cccc(Cl)c1O)C1CCOCC1 ZINC000275996562 374222415 /nfs/dbraw/zinc/22/24/15/374222415.db2.gz OHBUEAQUQYCRSE-UHFFFAOYSA-N 1 2 285.771 2.019 20 10 CECDLO OCC[N@@H+](Cc1cccc(Cl)c1O)C1CCOCC1 ZINC000275996562 374222418 /nfs/dbraw/zinc/22/24/18/374222418.db2.gz OHBUEAQUQYCRSE-UHFFFAOYSA-N 1 2 285.771 2.019 20 10 CECDLO CN(C)c1ccc(CNc2ccc(CO)c[nH+]2)cc1 ZINC000283898189 375777899 /nfs/dbraw/zinc/77/78/99/375777899.db2.gz GEHFLLFVLCYDHQ-UHFFFAOYSA-N 1 2 257.337 2.252 20 10 CECDLO CC[C@@H]([NH2+]Cc1nncn1CC)c1ccc(F)cc1O ZINC000285687695 375842397 /nfs/dbraw/zinc/84/23/97/375842397.db2.gz OFXAXUHBDQFBEB-GFCCVEGCSA-N 1 2 278.331 2.384 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000294706560 378014061 /nfs/dbraw/zinc/01/40/61/378014061.db2.gz OMUXVOCNVGYDRY-PSASIEDQSA-N 1 2 273.735 2.435 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000294706572 378014224 /nfs/dbraw/zinc/01/42/24/378014224.db2.gz OMUXVOCNVGYDRY-SCZZXKLOSA-N 1 2 273.735 2.435 20 10 CECDLO CCc1nnc(C[NH2+]Cc2cc(Cl)c(F)cc2O)[nH]1 ZINC000296175134 378441192 /nfs/dbraw/zinc/44/11/92/378441192.db2.gz XLJJTMRSYFYNAU-UHFFFAOYSA-N 1 2 284.722 2.155 20 10 CECDLO COc1ccc(N2CCN(c3cc(C)[nH+]cn3)CC2)cc1 ZINC000301228583 379224808 /nfs/dbraw/zinc/22/48/08/379224808.db2.gz GJAPRIXDRCULNI-UHFFFAOYSA-N 1 2 284.363 2.120 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCN(C2CC2)c2ccccc21 ZINC000492776033 380683909 /nfs/dbraw/zinc/68/39/09/380683909.db2.gz YRTYCTMLAQGUPX-VMPITWQZSA-N 1 2 294.358 2.439 20 10 CECDLO C[C@@H]1COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000132608684 394933728 /nfs/dbraw/zinc/93/37/28/394933728.db2.gz XBVMWXNGNZQVBF-SECBINFHSA-N 1 2 286.169 2.375 20 10 CECDLO C[C@@H]1COCC[N@H+]1Cc1cc(Br)ccc1O ZINC000132608684 394933730 /nfs/dbraw/zinc/93/37/30/394933730.db2.gz XBVMWXNGNZQVBF-SECBINFHSA-N 1 2 286.169 2.375 20 10 CECDLO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cccc(Cl)c1O ZINC000164759146 395086091 /nfs/dbraw/zinc/08/60/91/395086091.db2.gz DXRRTDYVHJKGJT-XYZCENFISA-N 1 2 275.801 2.292 20 10 CECDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[S@@](=O)C1 ZINC000375950185 395105936 /nfs/dbraw/zinc/10/59/36/395105936.db2.gz ZWZBSUYJWDCDMM-XTZNXHDOSA-N 1 2 287.812 2.246 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1CN1CC[NH2+]CC1 ZINC000038086708 174097264 /nfs/dbraw/zinc/09/72/64/174097264.db2.gz SDFBFMGQYBZLPN-UHFFFAOYSA-N 1 2 261.152 2.104 20 10 CECDLO O=C1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H](C2CC2)N1 ZINC000366927364 225690557 /nfs/dbraw/zinc/69/05/57/225690557.db2.gz XUSIQILHSHKOEB-GXTWGEPZSA-N 1 2 294.782 2.192 20 10 CECDLO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000180043212 261835128 /nfs/dbraw/zinc/83/51/28/261835128.db2.gz UFNPJMHCHCTWKI-GFCCVEGCSA-N 1 2 282.771 2.002 20 10 CECDLO CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180043212 261835130 /nfs/dbraw/zinc/83/51/30/261835130.db2.gz UFNPJMHCHCTWKI-GFCCVEGCSA-N 1 2 282.771 2.002 20 10 CECDLO COc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](C)C2)c1O ZINC000184676739 262026158 /nfs/dbraw/zinc/02/61/58/262026158.db2.gz BXVAPMYPBKIWHZ-VIFPVBQESA-N 1 2 271.744 2.275 20 10 CECDLO COc1cc(Cl)cc(C[N@H+]2CCO[C@@H](C)C2)c1O ZINC000184676739 262026159 /nfs/dbraw/zinc/02/61/59/262026159.db2.gz BXVAPMYPBKIWHZ-VIFPVBQESA-N 1 2 271.744 2.275 20 10 CECDLO CCN(CC)c1ccc(C[NH2+]CC(F)(F)CO)cc1 ZINC000183895784 262128835 /nfs/dbraw/zinc/12/88/35/262128835.db2.gz PIDXVKHIGKMRFT-UHFFFAOYSA-N 1 2 272.339 2.250 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000276916197 263038653 /nfs/dbraw/zinc/03/86/53/263038653.db2.gz LRQWYRVTDLAYJQ-IUCAKERBSA-N 1 2 257.280 2.358 20 10 CECDLO CC[C@H]([NH2+]C[C@@H](O)COC)c1cccc(Cl)c1O ZINC000287212035 288044004 /nfs/dbraw/zinc/04/40/04/288044004.db2.gz WYYXHHFUTZBPCL-SKDRFNHKSA-N 1 2 273.760 2.094 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377707915 329026239 /nfs/dbraw/zinc/02/62/39/329026239.db2.gz WIZHMHRYUQUIMP-ZFWWWQNUSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377707915 329026240 /nfs/dbraw/zinc/02/62/40/329026240.db2.gz WIZHMHRYUQUIMP-ZFWWWQNUSA-N 1 2 297.782 2.425 20 10 CECDLO COc1cccc2c1CCCN2C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492888738 332417470 /nfs/dbraw/zinc/41/74/70/332417470.db2.gz BXTMNCZABJEXCM-BQYQJAHWSA-N 1 2 283.331 2.411 20 10 CECDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncn(C)n2)c(O)c1 ZINC000275745771 334794450 /nfs/dbraw/zinc/79/44/50/334794450.db2.gz REHAIFVPOQNDRA-GHMZBOCLSA-N 1 2 260.341 2.241 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CO)CC2)c1O ZINC000050131912 518279365 /nfs/dbraw/zinc/27/93/65/518279365.db2.gz CWXBMBYJCDFSNO-UHFFFAOYSA-N 1 2 297.782 2.453 20 10 CECDLO Cc1cc(Cl)cc(C[NH2+][C@@]2(C)CCOC2=O)c1O ZINC000291026799 524873198 /nfs/dbraw/zinc/87/31/98/524873198.db2.gz YEFVBDNXNVXZJM-ZDUSSCGKSA-N 1 2 269.728 2.149 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CC[S@@](=O)C1 ZINC000277384595 525002978 /nfs/dbraw/zinc/00/29/78/525002978.db2.gz GNGLUBFNBMYDSV-MLCYQJTMSA-N 1 2 287.812 2.246 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CC[S@@](=O)C1 ZINC000277384595 525002988 /nfs/dbraw/zinc/00/29/88/525002988.db2.gz GNGLUBFNBMYDSV-MLCYQJTMSA-N 1 2 287.812 2.246 20 10 CECDLO CN(C)c1ccc(C[N@H+](C)Cn2ccsc2=O)cc1 ZINC000746605242 575160417 /nfs/dbraw/zinc/16/04/17/575160417.db2.gz QPVXKSHQZTYQDB-UHFFFAOYSA-N 1 2 277.393 2.065 20 10 CECDLO CN(C)c1ccc(C[N@@H+](C)Cn2ccsc2=O)cc1 ZINC000746605242 575160418 /nfs/dbraw/zinc/16/04/18/575160418.db2.gz QPVXKSHQZTYQDB-UHFFFAOYSA-N 1 2 277.393 2.065 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000840955823 628877571 /nfs/dbraw/zinc/87/75/71/628877571.db2.gz ZZMHWBOJRTYCOS-VIFPVBQESA-N 1 2 259.708 2.216 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H](CF)C1 ZINC000840955823 628877578 /nfs/dbraw/zinc/87/75/78/628877578.db2.gz ZZMHWBOJRTYCOS-VIFPVBQESA-N 1 2 259.708 2.216 20 10 CECDLO CCOC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893872325 629023980 /nfs/dbraw/zinc/02/39/80/629023980.db2.gz RAYFRHUHMOWLRP-UHFFFAOYSA-N 1 2 299.317 2.446 20 10 CECDLO CC1(C)CC(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000895400866 630169270 /nfs/dbraw/zinc/16/92/70/630169270.db2.gz YMNISBYZEPLUBL-UHFFFAOYSA-N 1 2 282.771 2.146 20 10 CECDLO CC1(C)CC(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000895400866 630169274 /nfs/dbraw/zinc/16/92/74/630169274.db2.gz YMNISBYZEPLUBL-UHFFFAOYSA-N 1 2 282.771 2.146 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726284 635485909 /nfs/dbraw/zinc/48/59/09/635485909.db2.gz KLTZETNTESIQED-LBPRGKRZSA-N 1 2 295.688 2.387 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726284 635485917 /nfs/dbraw/zinc/48/59/17/635485917.db2.gz KLTZETNTESIQED-LBPRGKRZSA-N 1 2 295.688 2.387 20 10 CECDLO Cn1cnnc1C[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000808215385 631937081 /nfs/dbraw/zinc/93/70/81/631937081.db2.gz QPENQZLBBGJWLH-UHFFFAOYSA-N 1 2 286.379 2.032 20 10 CECDLO Cn1cnnc1C[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000808215385 631937085 /nfs/dbraw/zinc/93/70/85/631937085.db2.gz QPENQZLBBGJWLH-UHFFFAOYSA-N 1 2 286.379 2.032 20 10 CECDLO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000898189423 632104194 /nfs/dbraw/zinc/10/41/94/632104194.db2.gz SNXUIFGOVVDZTB-JNXQLMTMSA-N 1 2 278.371 2.171 20 10 CECDLO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@H](O)[C@H](F)C2)cc1 ZINC000898189423 632104196 /nfs/dbraw/zinc/10/41/96/632104196.db2.gz SNXUIFGOVVDZTB-JNXQLMTMSA-N 1 2 278.371 2.171 20 10 CECDLO COc1ccc(CNc2cc(NC3CC3)[nH+]cn2)c(O)c1 ZINC000840296646 632733894 /nfs/dbraw/zinc/73/38/94/632733894.db2.gz YZIAFUGULIBXQO-UHFFFAOYSA-N 1 2 286.335 2.377 20 10 CECDLO COc1ccc(CNc2cc(NC3CC3)nc[nH+]2)c(O)c1 ZINC000840296646 632733899 /nfs/dbraw/zinc/73/38/99/632733899.db2.gz YZIAFUGULIBXQO-UHFFFAOYSA-N 1 2 286.335 2.377 20 10 CECDLO Cc1nnc(CC[NH2+]Cc2ccc3ccccc3c2O)[nH]1 ZINC000816566563 633414330 /nfs/dbraw/zinc/41/43/30/633414330.db2.gz YZXPQPNAKFZNGF-UHFFFAOYSA-N 1 2 282.347 2.304 20 10 CECDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CCC1 ZINC000826867793 635865805 /nfs/dbraw/zinc/86/58/05/635865805.db2.gz LRQZXXGYYSXXAJ-GFCCVEGCSA-N 1 2 273.735 2.435 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCc2nccnc2C1 ZINC000827693126 636393730 /nfs/dbraw/zinc/39/37/30/636393730.db2.gz YJNBQMXKUWQPTB-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO COc1ccc(O)c(C[N@@H+]2CCCc3[nH]ncc3C2)c1 ZINC000828013823 636486357 /nfs/dbraw/zinc/48/63/57/636486357.db2.gz LNMVXBNPBFBHDT-UHFFFAOYSA-N 1 2 273.336 2.072 20 10 CECDLO COc1ccc(O)c(C[N@H+]2CCCc3[nH]ncc3C2)c1 ZINC000828013823 636486361 /nfs/dbraw/zinc/48/63/61/636486361.db2.gz LNMVXBNPBFBHDT-UHFFFAOYSA-N 1 2 273.336 2.072 20 10 CECDLO COC(=O)[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000843424017 640424243 /nfs/dbraw/zinc/42/42/43/640424243.db2.gz SZTMXOACHQNHJV-LBPRGKRZSA-N 1 2 265.353 2.460 20 10 CECDLO C[NH2+]CCN(C)Cc1cc(Cl)cc(Cl)c1O ZINC000069801034 641600278 /nfs/dbraw/zinc/60/02/78/641600278.db2.gz YKLFFEOVMDPNPQ-UHFFFAOYSA-N 1 2 263.168 2.350 20 10 CECDLO CC[C@@H]([NH2+]C[C@](C)(CO)OC)c1cccc(Cl)c1O ZINC000848556069 642050442 /nfs/dbraw/zinc/05/04/42/642050442.db2.gz LRDCMFIUWAJLBP-TZMCWYRMSA-N 1 2 287.787 2.484 20 10 CECDLO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnn(C(C)(C)C)n2)c1 ZINC000848560817 642053030 /nfs/dbraw/zinc/05/30/30/642053030.db2.gz KVCKQDSYADWPKU-NSHDSACASA-N 1 2 289.383 2.293 20 10 CECDLO C[C@@H]([NH2+]CCCO)c1cc(Br)cc(F)c1O ZINC000134903993 642118558 /nfs/dbraw/zinc/11/85/58/642118558.db2.gz SELSMXPZGFJZKB-SSDOTTSWSA-N 1 2 292.148 2.327 20 10 CECDLO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(F)c(F)c1O ZINC000877459737 650728667 /nfs/dbraw/zinc/72/86/67/650728667.db2.gz KGFKRVQMBDKRKE-CYBMUJFWSA-N 1 2 257.280 2.017 20 10 CECDLO C[C@]1(CO)CCC[N@H+]1Cc1ccc(F)c(F)c1O ZINC000877459737 650728671 /nfs/dbraw/zinc/72/86/71/650728671.db2.gz KGFKRVQMBDKRKE-CYBMUJFWSA-N 1 2 257.280 2.017 20 10 CECDLO CCc1cccc(C[NH2+][C@@H](CC2CC2)C(=O)OC)c1O ZINC000848917192 642190984 /nfs/dbraw/zinc/19/09/84/642190984.db2.gz PSAZUMKBOBWHLB-AWEZNQCLSA-N 1 2 277.364 2.386 20 10 CECDLO CC[N@@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@H](C)C1 ZINC000877516387 650761278 /nfs/dbraw/zinc/76/12/78/650761278.db2.gz DQUIPRLJKIFNLQ-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO CC[N@H+]1CCN(Cc2ccc(F)c(F)c2O)[C@H](C)C1 ZINC000877516387 650761282 /nfs/dbraw/zinc/76/12/82/650761282.db2.gz DQUIPRLJKIFNLQ-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(F)cc(F)c1O ZINC000850513636 642736495 /nfs/dbraw/zinc/73/64/95/642736495.db2.gz AHKCJEYYLXZVQG-BDAKNGLRSA-N 1 2 271.307 2.482 20 10 CECDLO COCc1n[nH]c(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)n1 ZINC000850514661 642737439 /nfs/dbraw/zinc/73/74/39/642737439.db2.gz OXGRGXQPGXXXLE-LLVKDONJSA-N 1 2 290.367 2.124 20 10 CECDLO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C)[C@@H](C)C2)c1O ZINC000110727318 643491231 /nfs/dbraw/zinc/49/12/31/643491231.db2.gz VZILWMSSDDRPBI-JTQLQIEISA-N 1 2 296.798 2.384 20 10 CECDLO CC(=O)c1cc(Cl)cc(CN2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000110727318 643491234 /nfs/dbraw/zinc/49/12/34/643491234.db2.gz VZILWMSSDDRPBI-JTQLQIEISA-N 1 2 296.798 2.384 20 10 CECDLO COC1(C)C[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000839100571 644147647 /nfs/dbraw/zinc/14/76/47/644147647.db2.gz AUUBDKSZDYJNOZ-AATRIKPKSA-N 1 2 260.381 2.487 20 10 CECDLO CC1(C)C[C@H](O)C[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877751492 650895197 /nfs/dbraw/zinc/89/51/97/650895197.db2.gz BSQPLRFIOJOIRQ-JTQLQIEISA-N 1 2 271.307 2.263 20 10 CECDLO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877751492 650895199 /nfs/dbraw/zinc/89/51/99/650895199.db2.gz BSQPLRFIOJOIRQ-JTQLQIEISA-N 1 2 271.307 2.263 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000789585486 644263896 /nfs/dbraw/zinc/26/38/96/644263896.db2.gz AAGDIFNNMWAVQK-KWQFWETISA-N 1 2 273.735 2.435 20 10 CECDLO C[C@H]([NH2+]CCn1ccnc1)c1cc(F)cc(F)c1O ZINC000756371628 644637275 /nfs/dbraw/zinc/63/72/75/644637275.db2.gz MDKZOSJXZGITFM-VIFPVBQESA-N 1 2 267.279 2.218 20 10 CECDLO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(F)cc(F)c1O ZINC000756575677 644670329 /nfs/dbraw/zinc/67/03/29/644670329.db2.gz JRFQSROYEMVXAP-CLAHSXSESA-N 1 2 271.307 2.482 20 10 CECDLO CC[C@H]1C[N@H+](CC)CCN1C(=O)C1=CC(=O)CS1 ZINC000839785344 644817017 /nfs/dbraw/zinc/81/70/17/644817017.db2.gz FPPQCWIIODMIKQ-JTQLQIEISA-N 1 2 268.382 2.010 20 10 CECDLO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C1=CC(=O)CS1 ZINC000839785344 644817021 /nfs/dbraw/zinc/81/70/21/644817021.db2.gz FPPQCWIIODMIKQ-JTQLQIEISA-N 1 2 268.382 2.010 20 10 CECDLO CCOC(=O)[C@H]1CSCC[N@@H+]1Cc1cc(C)ccc1O ZINC000768230010 646098504 /nfs/dbraw/zinc/09/85/04/646098504.db2.gz PYZPBQQEVYJDLC-CYBMUJFWSA-N 1 2 295.404 2.181 20 10 CECDLO CCOC(=O)[C@H]1CSCC[N@H+]1Cc1cc(C)ccc1O ZINC000768230010 646098509 /nfs/dbraw/zinc/09/85/09/646098509.db2.gz PYZPBQQEVYJDLC-CYBMUJFWSA-N 1 2 295.404 2.181 20 10 CECDLO CCCN(Cc1ccccc1O)C(=O)Cn1cc[nH+]c1 ZINC000769291903 646237465 /nfs/dbraw/zinc/23/74/65/646237465.db2.gz NSCYRHAEXVOCCF-UHFFFAOYSA-N 1 2 273.336 2.028 20 10 CECDLO COC[C@@H]1CC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862377870 646425821 /nfs/dbraw/zinc/42/58/21/646425821.db2.gz WHCKBMDDBGLEAQ-NSHDSACASA-N 1 2 270.323 2.252 20 10 CECDLO COC[C@@H]1CC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862377870 646425827 /nfs/dbraw/zinc/42/58/27/646425827.db2.gz WHCKBMDDBGLEAQ-NSHDSACASA-N 1 2 270.323 2.252 20 10 CECDLO C[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCOC1 ZINC000775678238 646979866 /nfs/dbraw/zinc/97/98/66/646979866.db2.gz XGAAUAGKIYNWNO-SNVBAGLBSA-N 1 2 259.708 2.405 20 10 CECDLO C[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCOC1 ZINC000775678238 646979870 /nfs/dbraw/zinc/97/98/70/646979870.db2.gz XGAAUAGKIYNWNO-SNVBAGLBSA-N 1 2 259.708 2.405 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCCNc1ncccn1 ZINC000775757996 646988511 /nfs/dbraw/zinc/98/85/11/646988511.db2.gz NFVNIXXBQGDLPC-UHFFFAOYSA-N 1 2 292.770 2.427 20 10 CECDLO CC(C)(O)CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776016164 647016039 /nfs/dbraw/zinc/01/60/39/647016039.db2.gz ZGBZIRZTDGLWFI-UHFFFAOYSA-N 1 2 261.724 2.435 20 10 CECDLO C[S@@](=O)CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776208367 647036219 /nfs/dbraw/zinc/03/62/19/647036219.db2.gz ABZMQJWMWMKPDK-QGZVFWFLSA-N 1 2 279.764 2.043 20 10 CECDLO OC[C@H](CC1CC1)[NH2+]Cc1cccc(Cl)c1O ZINC000776252038 647042476 /nfs/dbraw/zinc/04/24/76/647042476.db2.gz KWSKEDHJBIKRBO-NSHDSACASA-N 1 2 255.745 2.296 20 10 CECDLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000780787562 647471169 /nfs/dbraw/zinc/47/11/69/647471169.db2.gz VYBROLNIGNDUBS-RKDXNWHRSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000780787562 647471173 /nfs/dbraw/zinc/47/11/73/647471173.db2.gz VYBROLNIGNDUBS-RKDXNWHRSA-N 1 2 273.735 2.387 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000882989680 652309348 /nfs/dbraw/zinc/30/93/48/652309348.db2.gz CSJXZZNCQZYBCD-ZDUSSCGKSA-N 1 2 282.334 2.244 20 10 CECDLO C[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000134899372 652886557 /nfs/dbraw/zinc/88/65/57/652886557.db2.gz YUYZSWHBMHJHRX-BQBZGAKWSA-N 1 2 292.148 2.325 20 10 CECDLO Nc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000217313688 813327296 /nfs/dbraw/zinc/32/72/96/813327296.db2.gz CIGUPQOGCMIKAJ-UHFFFAOYSA-N 1 2 297.362 2.018 20 10 CECDLO Oc1c(F)cc(Br)cc1C[NH2+]CCF ZINC000715711226 814986869 /nfs/dbraw/zinc/98/68/69/814986869.db2.gz FGWHYSQJPMLCHB-UHFFFAOYSA-N 1 2 266.085 2.353 20 10 CECDLO CC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335254 807395160 /nfs/dbraw/zinc/39/51/60/807395160.db2.gz NRIWLHJAYPLJDU-JTQLQIEISA-N 1 2 269.291 2.471 20 10 CECDLO CC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335254 807395175 /nfs/dbraw/zinc/39/51/75/807395175.db2.gz NRIWLHJAYPLJDU-JTQLQIEISA-N 1 2 269.291 2.471 20 10 CECDLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137839138 809817184 /nfs/dbraw/zinc/81/71/84/809817184.db2.gz SVLQBTDETIJWAH-ZDUSSCGKSA-N 1 2 251.301 2.475 20 10 CECDLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137839138 809817186 /nfs/dbraw/zinc/81/71/86/809817186.db2.gz SVLQBTDETIJWAH-ZDUSSCGKSA-N 1 2 251.301 2.475 20 10 CECDLO CCN(CC[NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000708505062 809943594 /nfs/dbraw/zinc/94/35/94/809943594.db2.gz XDXPYYIEHJNQPS-UHFFFAOYSA-N 1 2 270.323 2.244 20 10 CECDLO CC[N@H+](Cc1c(O)cccc1F)C1CCN(C)CC1 ZINC001137837745 815692546 /nfs/dbraw/zinc/69/25/46/815692546.db2.gz SSYRFDHJUUDMEP-UHFFFAOYSA-N 1 2 266.360 2.447 20 10 CECDLO CC[N@@H+](Cc1c(O)cccc1F)C1CCN(C)CC1 ZINC001137837745 815692553 /nfs/dbraw/zinc/69/25/53/815692553.db2.gz SSYRFDHJUUDMEP-UHFFFAOYSA-N 1 2 266.360 2.447 20 10 CECDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137837903 815693022 /nfs/dbraw/zinc/69/30/22/815693022.db2.gz YKOIMPDDEUPVBT-ZDUSSCGKSA-N 1 2 281.327 2.449 20 10 CECDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137837903 815693025 /nfs/dbraw/zinc/69/30/25/815693025.db2.gz YKOIMPDDEUPVBT-ZDUSSCGKSA-N 1 2 281.327 2.449 20 10 CECDLO CC1(C)C[N@H+](Cc2c(O)cccc2F)CCC1=O ZINC001137839206 815693982 /nfs/dbraw/zinc/69/39/82/815693982.db2.gz WIRWMUSUIMKNAP-UHFFFAOYSA-N 1 2 251.301 2.332 20 10 CECDLO CC1(C)C[N@@H+](Cc2c(O)cccc2F)CCC1=O ZINC001137839206 815693986 /nfs/dbraw/zinc/69/39/86/815693986.db2.gz WIRWMUSUIMKNAP-UHFFFAOYSA-N 1 2 251.301 2.332 20 10 CECDLO CCOC(=O)[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCS1 ZINC001138129864 815734133 /nfs/dbraw/zinc/73/41/33/815734133.db2.gz XDGNFDREDKVOOI-LBPRGKRZSA-N 1 2 299.367 2.012 20 10 CECDLO CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCS1 ZINC001138129864 815734137 /nfs/dbraw/zinc/73/41/37/815734137.db2.gz XDGNFDREDKVOOI-LBPRGKRZSA-N 1 2 299.367 2.012 20 10 CECDLO CC[N@H+](CC(=O)OC)Cc1c(C)n(C)c2ccccc21 ZINC001138259792 815756675 /nfs/dbraw/zinc/75/66/75/815756675.db2.gz NVMVJKOVNSWAGR-UHFFFAOYSA-N 1 2 274.364 2.482 20 10 CECDLO CC[N@@H+](CC(=O)OC)Cc1c(C)n(C)c2ccccc21 ZINC001138259792 815756679 /nfs/dbraw/zinc/75/66/79/815756679.db2.gz NVMVJKOVNSWAGR-UHFFFAOYSA-N 1 2 274.364 2.482 20 10 CECDLO CCN(CC)c1ccc(C[NH+]2CCOCC2)c(OC)c1 ZINC001138388494 815786849 /nfs/dbraw/zinc/78/68/49/815786849.db2.gz VXYWCGNCOFCHCE-UHFFFAOYSA-N 1 2 278.396 2.374 20 10 CECDLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140583287 816291932 /nfs/dbraw/zinc/29/19/32/816291932.db2.gz CUYGHWGOFAGTGA-WCBMZHEXSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140583287 816291938 /nfs/dbraw/zinc/29/19/38/816291938.db2.gz CUYGHWGOFAGTGA-WCBMZHEXSA-N 1 2 257.280 2.016 20 10 CECDLO Oc1cc(F)cc(F)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001140583430 816292738 /nfs/dbraw/zinc/29/27/38/816292738.db2.gz GLOJSUMGIRGFOT-LBPRGKRZSA-N 1 2 282.334 2.341 20 10 CECDLO Oc1cc(F)cc(F)c1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001140583430 816292743 /nfs/dbraw/zinc/29/27/43/816292743.db2.gz GLOJSUMGIRGFOT-LBPRGKRZSA-N 1 2 282.334 2.341 20 10 CECDLO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140584351 816293187 /nfs/dbraw/zinc/29/31/87/816293187.db2.gz OEJHAAKZTBBESF-ZDUSSCGKSA-N 1 2 271.307 2.406 20 10 CECDLO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140584351 816293193 /nfs/dbraw/zinc/29/31/93/816293193.db2.gz OEJHAAKZTBBESF-ZDUSSCGKSA-N 1 2 271.307 2.406 20 10 CECDLO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583752 816293984 /nfs/dbraw/zinc/29/39/84/816293984.db2.gz RMJSMVDEFHGWEJ-ZJUUUORDSA-N 1 2 299.317 2.444 20 10 CECDLO COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583752 816293990 /nfs/dbraw/zinc/29/39/90/816293990.db2.gz RMJSMVDEFHGWEJ-ZJUUUORDSA-N 1 2 299.317 2.444 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CC(F)(F)C[C@@]2(C)CO)c1 ZINC001140619749 816304063 /nfs/dbraw/zinc/30/40/63/816304063.db2.gz MZOOPRCHTRWOKC-ZDUSSCGKSA-N 1 2 271.307 2.293 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CC(F)(F)C[C@@]2(C)CO)c1 ZINC001140619749 816304069 /nfs/dbraw/zinc/30/40/69/816304069.db2.gz MZOOPRCHTRWOKC-ZDUSSCGKSA-N 1 2 271.307 2.293 20 10 CECDLO CN1CCOc2cc(C[NH+]3CC4(C3)CCCCO4)ccc21 ZINC001141139753 816483445 /nfs/dbraw/zinc/48/34/45/816483445.db2.gz AVOSYOVQHVOQQE-UHFFFAOYSA-N 1 2 288.391 2.270 20 10 CECDLO CCCC[N@H+](CC(N)=O)Cc1cccc(Cl)c1O ZINC000124551794 365654774 /nfs/dbraw/zinc/65/47/74/365654774.db2.gz MACNUKPEDANBOK-UHFFFAOYSA-N 1 2 270.760 2.133 20 10 CECDLO CCCC[N@@H+](CC(N)=O)Cc1cccc(Cl)c1O ZINC000124551794 365654779 /nfs/dbraw/zinc/65/47/79/365654779.db2.gz MACNUKPEDANBOK-UHFFFAOYSA-N 1 2 270.760 2.133 20 10 CECDLO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)c(F)c1O ZINC000191186883 296122867 /nfs/dbraw/zinc/12/28/67/296122867.db2.gz MDVBYWVZDVQVMS-SNVBAGLBSA-N 1 2 298.333 2.334 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000187536072 369173827 /nfs/dbraw/zinc/17/38/27/369173827.db2.gz NZZZARFRNNPRFH-CQSZACIVSA-N 1 2 283.755 2.037 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000187536072 369173829 /nfs/dbraw/zinc/17/38/29/369173829.db2.gz NZZZARFRNNPRFH-CQSZACIVSA-N 1 2 283.755 2.037 20 10 CECDLO COC(=O)C[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000273766654 373770169 /nfs/dbraw/zinc/77/01/69/373770169.db2.gz PYSLBAHTISNNGB-UHFFFAOYSA-N 1 2 299.754 2.192 20 10 CECDLO COC(=O)C[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000273766654 373770180 /nfs/dbraw/zinc/77/01/80/373770180.db2.gz PYSLBAHTISNNGB-UHFFFAOYSA-N 1 2 299.754 2.192 20 10 CECDLO C[C@@H]([NH2+]Cc1ccn(C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273557682 373764476 /nfs/dbraw/zinc/76/44/76/373764476.db2.gz HFAPTJLNYDBUFA-SNVBAGLBSA-N 1 2 275.308 2.490 20 10 CECDLO Cc1cc(C[N@H+](C)Cc2nccn2C)ccc1N(C)C ZINC000293721605 377722116 /nfs/dbraw/zinc/72/21/16/377722116.db2.gz FRQPMZPZJGNGBF-UHFFFAOYSA-N 1 2 272.396 2.427 20 10 CECDLO Cc1cc(C[N@@H+](C)Cc2nccn2C)ccc1N(C)C ZINC000293721605 377722124 /nfs/dbraw/zinc/72/21/24/377722124.db2.gz FRQPMZPZJGNGBF-UHFFFAOYSA-N 1 2 272.396 2.427 20 10 CECDLO CCOC(=O)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372800067 395047328 /nfs/dbraw/zinc/04/73/28/395047328.db2.gz IHQYXPWYOHDTRR-UHFFFAOYSA-N 1 2 274.364 2.015 20 10 CECDLO CCOC(=O)C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372800067 395047330 /nfs/dbraw/zinc/04/73/30/395047330.db2.gz IHQYXPWYOHDTRR-UHFFFAOYSA-N 1 2 274.364 2.015 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC000372297721 395038715 /nfs/dbraw/zinc/03/87/15/395038715.db2.gz VYRATXHZBRXDKL-CYBMUJFWSA-N 1 2 295.766 2.205 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC000372297721 395038719 /nfs/dbraw/zinc/03/87/19/395038719.db2.gz VYRATXHZBRXDKL-CYBMUJFWSA-N 1 2 295.766 2.205 20 10 CECDLO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187913419 395308184 /nfs/dbraw/zinc/30/81/84/395308184.db2.gz GUHHQVJEYKRRLL-MPSDLYAZSA-N 1 2 277.336 2.088 20 10 CECDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000368461528 267173788 /nfs/dbraw/zinc/17/37/88/267173788.db2.gz JEJWTSKKHFZQOF-AWEZNQCLSA-N 1 2 287.363 2.306 20 10 CECDLO Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccccc1O ZINC000368461528 267173791 /nfs/dbraw/zinc/17/37/91/267173791.db2.gz JEJWTSKKHFZQOF-AWEZNQCLSA-N 1 2 287.363 2.306 20 10 CECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000268838971 280368965 /nfs/dbraw/zinc/36/89/65/280368965.db2.gz MTBSYKMQTRBGFK-GFCCVEGCSA-N 1 2 288.307 2.191 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(N(C)C)cc1 ZINC000275700221 334793880 /nfs/dbraw/zinc/79/38/80/334793880.db2.gz KPQWOARCLNKIKC-NEPJUHHUSA-N 1 2 273.384 2.293 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOCC2(C)C)c1O ZINC000048945888 518284553 /nfs/dbraw/zinc/28/45/53/518284553.db2.gz JREOPCKRBBIDEQ-UHFFFAOYSA-N 1 2 281.327 2.345 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOCC2(C)C)c1O ZINC000048945888 518284560 /nfs/dbraw/zinc/28/45/60/518284560.db2.gz JREOPCKRBBIDEQ-UHFFFAOYSA-N 1 2 281.327 2.345 20 10 CECDLO CCC[NH+](CCC)c1ccc([C@@H]2NC(=O)CN2C)cc1 ZINC000298792382 521650761 /nfs/dbraw/zinc/65/07/61/521650761.db2.gz RGLNRLDQRIXGAX-MRXNPFEDSA-N 1 2 275.396 2.373 20 10 CECDLO COC[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H]1CCCO1 ZINC000279440076 522364422 /nfs/dbraw/zinc/36/44/22/522364422.db2.gz PDBDBPLHZGJZPA-CHWSQXEVSA-N 1 2 285.771 2.329 20 10 CECDLO C[N@H+](Cc1nccs1)Cc1cc2c(cc1O)OCO2 ZINC000074724242 523601662 /nfs/dbraw/zinc/60/16/62/523601662.db2.gz POUNCIWHMPGLGH-UHFFFAOYSA-N 1 2 278.333 2.209 20 10 CECDLO C[N@@H+](Cc1nccs1)Cc1cc2c(cc1O)OCO2 ZINC000074724242 523601666 /nfs/dbraw/zinc/60/16/66/523601666.db2.gz POUNCIWHMPGLGH-UHFFFAOYSA-N 1 2 278.333 2.209 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1nncn1C ZINC000062746964 525609782 /nfs/dbraw/zinc/60/97/82/525609782.db2.gz XDYBETDOFFFZPI-DTWKUNHWSA-N 1 2 264.304 2.072 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000128085482 526324958 /nfs/dbraw/zinc/32/49/58/526324958.db2.gz SDHOORRBDVREIC-SECBINFHSA-N 1 2 262.136 2.266 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000128085482 526324962 /nfs/dbraw/zinc/32/49/62/526324962.db2.gz SDHOORRBDVREIC-SECBINFHSA-N 1 2 262.136 2.266 20 10 CECDLO Cc1cccc2[nH+]cc(C=C3SC(=S)NC3=O)n21 ZINC000748994661 575202296 /nfs/dbraw/zinc/20/22/96/575202296.db2.gz QKDASJURPKESIX-UITAMQMPSA-N 1 2 275.358 2.132 20 10 CECDLO COC(=O)CC[N@H+](Cc1cc(F)cc(F)c1O)C(C)C ZINC000894020694 629086247 /nfs/dbraw/zinc/08/62/47/629086247.db2.gz MIAHPXSOHFDFSS-UHFFFAOYSA-N 1 2 287.306 2.444 20 10 CECDLO COC(=O)CC[N@@H+](Cc1cc(F)cc(F)c1O)C(C)C ZINC000894020694 629086252 /nfs/dbraw/zinc/08/62/52/629086252.db2.gz MIAHPXSOHFDFSS-UHFFFAOYSA-N 1 2 287.306 2.444 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000894049617 629102792 /nfs/dbraw/zinc/10/27/92/629102792.db2.gz HXVQNXQGVOBSSU-UHFFFAOYSA-N 1 2 269.291 2.425 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CCOC2(CCC2)C1 ZINC000894049617 629102796 /nfs/dbraw/zinc/10/27/96/629102796.db2.gz HXVQNXQGVOBSSU-UHFFFAOYSA-N 1 2 269.291 2.425 20 10 CECDLO CC1([NH2+]Cc2cc(Br)cc(F)c2O)COC1 ZINC000895444429 630188248 /nfs/dbraw/zinc/18/82/48/630188248.db2.gz SXTDMXIJLCIYBZ-UHFFFAOYSA-N 1 2 290.132 2.172 20 10 CECDLO COc1cccc(C[NH2+]Cc2nc(C(F)F)no2)c1O ZINC000895727845 630317506 /nfs/dbraw/zinc/31/75/06/630317506.db2.gz UWUCAJQRLUWUBC-UHFFFAOYSA-N 1 2 285.250 2.011 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CCCn3nncc3C2)cc1Cl ZINC000895757912 630333487 /nfs/dbraw/zinc/33/34/87/630333487.db2.gz YQDSTQOAACMOBL-UHFFFAOYSA-N 1 2 292.770 2.351 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](OC)C2)cc1 ZINC000895968343 630422001 /nfs/dbraw/zinc/42/20/01/630422001.db2.gz AZLCOIDYDBRKSM-MRXNPFEDSA-N 1 2 278.396 2.338 20 10 CECDLO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](OC)C2)cc1 ZINC000895968343 630422003 /nfs/dbraw/zinc/42/20/03/630422003.db2.gz AZLCOIDYDBRKSM-MRXNPFEDSA-N 1 2 278.396 2.338 20 10 CECDLO CO[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000895969576 630422542 /nfs/dbraw/zinc/42/25/42/630422542.db2.gz NZDZYJNGWCNPDK-QGZVFWFLSA-N 1 2 290.407 2.482 20 10 CECDLO CO[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000895969576 630422544 /nfs/dbraw/zinc/42/25/44/630422544.db2.gz NZDZYJNGWCNPDK-QGZVFWFLSA-N 1 2 290.407 2.482 20 10 CECDLO Oc1ccc2ccncc2c1C[NH+]1CC(OC(F)F)C1 ZINC000797820770 630760890 /nfs/dbraw/zinc/76/08/90/630760890.db2.gz NCLXPTYQWVRYBU-UHFFFAOYSA-N 1 2 280.274 2.364 20 10 CECDLO Cc1noc(C2([NH2+]Cc3ccc(C)cc3O)CC2)n1 ZINC000897896391 631965801 /nfs/dbraw/zinc/96/58/01/631965801.db2.gz VRJXAPLIZRPULW-UHFFFAOYSA-N 1 2 259.309 2.171 20 10 CECDLO Cc1noc(C2([NH2+]Cc3cc(C)ccc3O)CC2)n1 ZINC000897897935 631967676 /nfs/dbraw/zinc/96/76/76/631967676.db2.gz QPEMHWCMBCGXCN-UHFFFAOYSA-N 1 2 259.309 2.171 20 10 CECDLO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000898214571 632091529 /nfs/dbraw/zinc/09/15/29/632091529.db2.gz DTWPSHDNRBDMGH-JMJZKYOTSA-N 1 2 283.755 2.333 20 10 CECDLO OCC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816553073 633412173 /nfs/dbraw/zinc/41/21/73/633412173.db2.gz HWGDIRXKCKUHAS-LBPRGKRZSA-N 1 2 273.735 2.435 20 10 CECDLO CCn1ncnc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816596811 633419300 /nfs/dbraw/zinc/41/93/00/633419300.db2.gz ROOJSIISHXAVBG-UHFFFAOYSA-N 1 2 284.722 2.086 20 10 CECDLO C[C@@H](N[C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817942491 633790558 /nfs/dbraw/zinc/79/05/58/633790558.db2.gz ZZWDYNHNNAVDCA-SCZZXKLOSA-N 1 2 256.296 2.073 20 10 CECDLO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(F)cc(F)c1O ZINC000903408904 635103438 /nfs/dbraw/zinc/10/34/38/635103438.db2.gz VIARKRFMUPCZSE-ISVAXAHUSA-N 1 2 271.307 2.482 20 10 CECDLO Cc1cc(O)c(C[NH+]2CCN(C)CC2)cc1Cl ZINC000824473498 635433973 /nfs/dbraw/zinc/43/39/73/635433973.db2.gz BFNGWSFMFOZUEM-UHFFFAOYSA-N 1 2 254.761 2.101 20 10 CECDLO COC[C@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000824835925 635507528 /nfs/dbraw/zinc/50/75/28/635507528.db2.gz CSDVTPLSVNNDRU-GFCCVEGCSA-N 1 2 285.771 2.201 20 10 CECDLO COC[C@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)CCO1 ZINC000824835925 635507534 /nfs/dbraw/zinc/50/75/34/635507534.db2.gz CSDVTPLSVNNDRU-GFCCVEGCSA-N 1 2 285.771 2.201 20 10 CECDLO CC1(C)C[NH2+]C[C@@H]1NCc1cccc(Cl)c1O ZINC000904461111 635644224 /nfs/dbraw/zinc/64/42/24/635644224.db2.gz FHQIZLJCOFBGBH-NSHDSACASA-N 1 2 254.761 2.133 20 10 CECDLO CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000904461111 635644230 /nfs/dbraw/zinc/64/42/30/635644230.db2.gz FHQIZLJCOFBGBH-NSHDSACASA-N 1 2 254.761 2.133 20 10 CECDLO CO[C@@H](C[NH2+]Cc1cccc(Cl)c1O)[C@@H]1CCOC1 ZINC000826822062 635855353 /nfs/dbraw/zinc/85/53/53/635855353.db2.gz JXMQPMCWEFKCIF-YPMHNXCESA-N 1 2 285.771 2.187 20 10 CECDLO C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1O ZINC000827963783 636472349 /nfs/dbraw/zinc/47/23/49/636472349.db2.gz AKKQJODCOYJFJW-RYUDHWBXSA-N 1 2 285.347 2.029 20 10 CECDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccccc2)c(O)c1 ZINC000876651877 650377284 /nfs/dbraw/zinc/37/72/84/650377284.db2.gz IGOISYRCPKXNEX-QGZVFWFLSA-N 1 2 296.370 2.374 20 10 CECDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2c2ccccc2)c(O)c1 ZINC000876651877 650377286 /nfs/dbraw/zinc/37/72/86/650377286.db2.gz IGOISYRCPKXNEX-QGZVFWFLSA-N 1 2 296.370 2.374 20 10 CECDLO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@@H](CF)C2)cc1 ZINC000840955454 639599779 /nfs/dbraw/zinc/59/97/79/639599779.db2.gz VCWDLTBVKCQLCJ-QGZUEGPWSA-N 1 2 278.371 2.436 20 10 CECDLO CN(C)c1ccc(/C=C\C[N@H+]2CCO[C@@H](CF)C2)cc1 ZINC000840955454 639599781 /nfs/dbraw/zinc/59/97/81/639599781.db2.gz VCWDLTBVKCQLCJ-QGZUEGPWSA-N 1 2 278.371 2.436 20 10 CECDLO COC(=O)CC1(C[N@H+](C)c2ccc(OC)cc2)CC1 ZINC000844354860 640690301 /nfs/dbraw/zinc/69/03/01/640690301.db2.gz IYPGDXORZNEFTJ-UHFFFAOYSA-N 1 2 263.337 2.475 20 10 CECDLO COC(=O)CC1(C[N@@H+](C)c2ccc(OC)cc2)CC1 ZINC000844354860 640690303 /nfs/dbraw/zinc/69/03/03/640690303.db2.gz IYPGDXORZNEFTJ-UHFFFAOYSA-N 1 2 263.337 2.475 20 10 CECDLO COc1cccc([C@@H](C)[NH2+]Cc2cn[nH]c2C)c1O ZINC000846154788 641205733 /nfs/dbraw/zinc/20/57/33/641205733.db2.gz MZVSWLHJCXSQEP-SNVBAGLBSA-N 1 2 261.325 2.283 20 10 CECDLO C[C@H]([NH2+]Cc1nc([C@H]2CCCO2)n[nH]1)c1ccccc1O ZINC000848557409 642052432 /nfs/dbraw/zinc/05/24/32/642052432.db2.gz JSOCVNZBEIDQRM-GXFFZTMASA-N 1 2 288.351 2.213 20 10 CECDLO COCc1n[nH]c(C[NH2+][C@H](C)c2ccc(Cl)cc2O)n1 ZINC000850517727 642737612 /nfs/dbraw/zinc/73/76/12/642737612.db2.gz ZWGZVOJUCJLJEH-MRVPVSSYSA-N 1 2 296.758 2.161 20 10 CECDLO COc1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)on1 ZINC000877635290 650827109 /nfs/dbraw/zinc/82/71/09/650827109.db2.gz LMBFYFQQEXAFBU-UHFFFAOYSA-N 1 2 286.690 2.471 20 10 CECDLO C[C@H]([NH2+]Cc1ccc(F)c(F)c1O)[C@H](O)C(F)(F)F ZINC000877693553 650853935 /nfs/dbraw/zinc/85/39/35/650853935.db2.gz KAFNWSKXQCVJTO-RRAGMBSWSA-N 1 2 285.212 2.072 20 10 CECDLO COc1cccc(O)c1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000839170752 644179716 /nfs/dbraw/zinc/17/97/16/644179716.db2.gz PYXHTLAYJVLCPC-UHFFFAOYSA-N 1 2 290.367 2.106 20 10 CECDLO CC[C@@H]([NH2+]C[C@](C)(O)COC)c1cccc(Cl)c1O ZINC000806140723 644423440 /nfs/dbraw/zinc/42/34/40/644423440.db2.gz ZOSPYCBZKMWRLU-OCCSQVGLSA-N 1 2 287.787 2.484 20 10 CECDLO C[C@@H]([NH2+]CC1(C)COC1)c1cc(F)cc(F)c1O ZINC000756572833 644670349 /nfs/dbraw/zinc/67/03/49/644670349.db2.gz IMYDVHCDFZXZAB-MRVPVSSYSA-N 1 2 257.280 2.358 20 10 CECDLO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)C1 ZINC000756656595 644680041 /nfs/dbraw/zinc/68/00/41/644680041.db2.gz YVQSTACGGQTFPW-GXSJLCMTSA-N 1 2 298.333 2.332 20 10 CECDLO CC1(C)OCC([NH2+]Cc2cccc(Cl)c2O)CO1 ZINC000758010621 644871589 /nfs/dbraw/zinc/87/15/89/644871589.db2.gz QTKLUUNVUNOSLU-UHFFFAOYSA-N 1 2 271.744 2.287 20 10 CECDLO COc1cc(C[N@H+](C)Cc2ccon2)c(O)cc1C ZINC000768446806 646124262 /nfs/dbraw/zinc/12/42/62/646124262.db2.gz OSOBTCRLQPCABM-UHFFFAOYSA-N 1 2 262.309 2.329 20 10 CECDLO COc1cc(C[N@@H+](C)Cc2ccon2)c(O)cc1C ZINC000768446806 646124267 /nfs/dbraw/zinc/12/42/67/646124267.db2.gz OSOBTCRLQPCABM-UHFFFAOYSA-N 1 2 262.309 2.329 20 10 CECDLO CCOC(=O)[C@@H]([NH2+]Cc1ccccc1O)C(C)(C)C ZINC000768525386 646135649 /nfs/dbraw/zinc/13/56/49/646135649.db2.gz VZYZADWBLUDITC-CYBMUJFWSA-N 1 2 265.353 2.460 20 10 CECDLO C[N@H+](Cc1nnc2ccccn21)Cc1ccccc1O ZINC000770511057 646400360 /nfs/dbraw/zinc/40/03/60/646400360.db2.gz XPXNCYBPZSPAPQ-UHFFFAOYSA-N 1 2 268.320 2.067 20 10 CECDLO C[N@@H+](Cc1nnc2ccccn21)Cc1ccccc1O ZINC000770511057 646400367 /nfs/dbraw/zinc/40/03/67/646400367.db2.gz XPXNCYBPZSPAPQ-UHFFFAOYSA-N 1 2 268.320 2.067 20 10 CECDLO COC[C@H]1CC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862377869 646425723 /nfs/dbraw/zinc/42/57/23/646425723.db2.gz WHCKBMDDBGLEAQ-LLVKDONJSA-N 1 2 270.323 2.252 20 10 CECDLO COC[C@H]1CC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862377869 646425732 /nfs/dbraw/zinc/42/57/32/646425732.db2.gz WHCKBMDDBGLEAQ-LLVKDONJSA-N 1 2 270.323 2.252 20 10 CECDLO CCN(C)c1ccc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1 ZINC000773756761 646773471 /nfs/dbraw/zinc/77/34/71/646773471.db2.gz ZLIJHKILJRYDPR-MNVSYLFESA-N 1 2 294.464 2.484 20 10 CECDLO CCN(C)c1ccc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)cc1 ZINC000773756761 646773472 /nfs/dbraw/zinc/77/34/72/646773472.db2.gz ZLIJHKILJRYDPR-MNVSYLFESA-N 1 2 294.464 2.484 20 10 CECDLO COCC[NH+](CCOC)Cc1cc(Cl)cc(F)c1O ZINC000775638236 646975131 /nfs/dbraw/zinc/97/51/31/646975131.db2.gz DMRGTMTXTJXEJE-UHFFFAOYSA-N 1 2 291.750 2.280 20 10 CECDLO COc1ccc(O)c(CNc2ccc(N(C)C)c[nH+]2)c1 ZINC000776251466 647041752 /nfs/dbraw/zinc/04/17/52/647041752.db2.gz ZKGZMVVRFMXKAQ-UHFFFAOYSA-N 1 2 273.336 2.474 20 10 CECDLO CCCCNc1cc(N2Cc3cccc(O)c3C2)nc(N)[nH+]1 ZINC000866117936 647617005 /nfs/dbraw/zinc/61/70/05/647617005.db2.gz SSZKPWWREDFCDF-UHFFFAOYSA-N 1 2 299.378 2.497 20 10 CECDLO CCCCNc1cc(N2Cc3cccc(O)c3C2)[nH+]c(N)n1 ZINC000866117936 647617011 /nfs/dbraw/zinc/61/70/11/647617011.db2.gz SSZKPWWREDFCDF-UHFFFAOYSA-N 1 2 299.378 2.497 20 10 CECDLO C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000783603310 647736426 /nfs/dbraw/zinc/73/64/26/647736426.db2.gz YEQAVMHVYKIVMC-SFYZADRCSA-N 1 2 261.724 2.434 20 10 CECDLO C[C@@H](O)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000788606719 648207076 /nfs/dbraw/zinc/20/70/76/648207076.db2.gz XOFITZHPJKYWDZ-RKDXNWHRSA-N 1 2 259.296 2.482 20 10 CECDLO CC1(C)C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1O ZINC000790936315 648462181 /nfs/dbraw/zinc/46/21/81/648462181.db2.gz AVLMNIXORDGIKD-LLVKDONJSA-N 1 2 273.735 2.387 20 10 CECDLO CC1(C)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@H]1O ZINC000790936315 648462183 /nfs/dbraw/zinc/46/21/83/648462183.db2.gz AVLMNIXORDGIKD-LLVKDONJSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ncnn1C ZINC000790991131 648469249 /nfs/dbraw/zinc/46/92/49/648469249.db2.gz KYRMMKPTEKFEQY-ZETCQYMHSA-N 1 2 284.722 2.164 20 10 CECDLO Oc1c(Cl)cccc1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229661 649601404 /nfs/dbraw/zinc/60/14/04/649601404.db2.gz DJSZTBUOWGYTCR-JSGCOSHPSA-N 1 2 266.772 2.420 20 10 CECDLO Oc1ccc(Cl)cc1CN1CC[NH2+]CC(F)(F)C1 ZINC001210814744 802740277 /nfs/dbraw/zinc/74/02/77/802740277.db2.gz HJCYIIISLKTUFT-UHFFFAOYSA-N 1 2 276.714 2.086 20 10 CECDLO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(Cl)cc1O ZINC001140465925 802951822 /nfs/dbraw/zinc/95/18/22/802951822.db2.gz WFEPFPGNHKOJHS-PBWFPOADSA-N 1 2 297.782 2.424 20 10 CECDLO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(Cl)cc1O ZINC001140465925 802951827 /nfs/dbraw/zinc/95/18/27/802951827.db2.gz WFEPFPGNHKOJHS-PBWFPOADSA-N 1 2 297.782 2.424 20 10 CECDLO CC[N@@H+]1CCCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140582850 803178350 /nfs/dbraw/zinc/17/83/50/803178350.db2.gz NSOOBUOKKRYSDK-UHFFFAOYSA-N 1 2 270.323 2.198 20 10 CECDLO CC[N@H+]1CCCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140582850 803178351 /nfs/dbraw/zinc/17/83/51/803178351.db2.gz NSOOBUOKKRYSDK-UHFFFAOYSA-N 1 2 270.323 2.198 20 10 CECDLO COC[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743472 814990663 /nfs/dbraw/zinc/99/06/63/814990663.db2.gz BVXTUQUKZJYMEE-ZETCQYMHSA-N 1 2 292.148 2.418 20 10 CECDLO Oc1ccccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001203550385 808673179 /nfs/dbraw/zinc/67/31/79/808673179.db2.gz UHTSOCPYKMOACE-NEPJUHHUSA-N 1 2 293.260 2.229 20 10 CECDLO Oc1ccccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001203550385 808673183 /nfs/dbraw/zinc/67/31/83/808673183.db2.gz UHTSOCPYKMOACE-NEPJUHHUSA-N 1 2 293.260 2.229 20 10 CECDLO CC[C@]1([NH2+]Cc2cc(F)cc(F)c2O)CCOC1 ZINC000708497318 809944231 /nfs/dbraw/zinc/94/42/31/809944231.db2.gz RIIMDXDAIUUFBX-ZDUSSCGKSA-N 1 2 257.280 2.329 20 10 CECDLO CN(C)c1ccc(NCc2ccc(O)c(O)c2)[nH+]c1 ZINC001169994510 811871878 /nfs/dbraw/zinc/87/18/78/811871878.db2.gz CKDHLDTUNOBGLW-UHFFFAOYSA-N 1 2 259.309 2.171 20 10 CECDLO C[NH+](C)[C@@H]1CCCN(Cc2c(F)ccc(F)c2O)C1 ZINC001139684730 814757099 /nfs/dbraw/zinc/75/70/99/814757099.db2.gz PFGVFDRMLSRSAK-SNVBAGLBSA-N 1 2 270.323 2.196 20 10 CECDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137832897 815692162 /nfs/dbraw/zinc/69/21/62/815692162.db2.gz LISMEZXTEYDWOH-LBPRGKRZSA-N 1 2 267.300 2.059 20 10 CECDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137832897 815692166 /nfs/dbraw/zinc/69/21/66/815692166.db2.gz LISMEZXTEYDWOH-LBPRGKRZSA-N 1 2 267.300 2.059 20 10 CECDLO CN1CCC[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@H]21 ZINC001137840241 815695007 /nfs/dbraw/zinc/69/50/07/815695007.db2.gz UKTRTTVWNATNAY-BXUZGUMPSA-N 1 2 264.344 2.057 20 10 CECDLO CN1CCC[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@H]21 ZINC001137840241 815695011 /nfs/dbraw/zinc/69/50/11/815695011.db2.gz UKTRTTVWNATNAY-BXUZGUMPSA-N 1 2 264.344 2.057 20 10 CECDLO Cn1ncc2c1CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140464610 816259734 /nfs/dbraw/zinc/25/97/34/816259734.db2.gz WWFKFKHRGNUAEP-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Cn1ncc2c1CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140464610 816259740 /nfs/dbraw/zinc/25/97/40/816259740.db2.gz WWFKFKHRGNUAEP-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140585894 816295073 /nfs/dbraw/zinc/29/50/73/816295073.db2.gz VLBNPJSDRPPUBW-SNVBAGLBSA-N 1 2 299.317 2.446 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140585894 816295077 /nfs/dbraw/zinc/29/50/77/816295077.db2.gz VLBNPJSDRPPUBW-SNVBAGLBSA-N 1 2 299.317 2.446 20 10 CECDLO C[N@H+](Cc1c(O)cc(F)cc1F)[C@@H]1CCC2(C1)OCCO2 ZINC001140585516 816295351 /nfs/dbraw/zinc/29/53/51/816295351.db2.gz LWMUXMXBZVLUNU-LLVKDONJSA-N 1 2 299.317 2.398 20 10 CECDLO C[N@@H+](Cc1c(O)cc(F)cc1F)[C@@H]1CCC2(C1)OCCO2 ZINC001140585516 816295355 /nfs/dbraw/zinc/29/53/55/816295355.db2.gz LWMUXMXBZVLUNU-LLVKDONJSA-N 1 2 299.317 2.398 20 10 CECDLO CC(C)CNC(=O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001177713392 816610620 /nfs/dbraw/zinc/61/06/20/816610620.db2.gz WVGJUKVRKSUFBH-UHFFFAOYSA-N 1 2 288.750 2.047 20 10 CECDLO CCNC(=O)N(C)C1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000066149255 343708281 /nfs/dbraw/zinc/70/82/81/343708281.db2.gz VNIYUYILVQFOQW-UHFFFAOYSA-N 1 2 291.395 2.325 20 10 CECDLO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000187672398 299288080 /nfs/dbraw/zinc/28/80/80/299288080.db2.gz ZYVFZLDZFVDHQH-VIFPVBQESA-N 1 2 286.322 2.189 20 10 CECDLO COC(=O)C[N@H+](Cc1cccc(Cl)c1O)C(C)C ZINC000179743748 368350159 /nfs/dbraw/zinc/35/01/59/368350159.db2.gz MXFUSRSNUDCWGU-UHFFFAOYSA-N 1 2 271.744 2.429 20 10 CECDLO COC(=O)C[N@@H+](Cc1cccc(Cl)c1O)C(C)C ZINC000179743748 368350162 /nfs/dbraw/zinc/35/01/62/368350162.db2.gz MXFUSRSNUDCWGU-UHFFFAOYSA-N 1 2 271.744 2.429 20 10 CECDLO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(F)c(F)c1O ZINC000187751540 299384798 /nfs/dbraw/zinc/38/47/98/299384798.db2.gz RYRWCURNASOQKY-GZMMTYOYSA-N 1 2 294.305 2.448 20 10 CECDLO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(F)c(F)c1O ZINC000187813401 369228347 /nfs/dbraw/zinc/22/83/47/369228347.db2.gz VCQYJYAMSXUKQT-MRVPVSSYSA-N 1 2 273.279 2.084 20 10 CECDLO CCOC(=O)[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](C)CC ZINC000187865067 369239518 /nfs/dbraw/zinc/23/95/18/369239518.db2.gz KZSYQQLQFCSVTC-IAQYHMDHSA-N 1 2 295.379 2.468 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367681146 373180430 /nfs/dbraw/zinc/18/04/30/373180430.db2.gz AWMYKKNFEOSAGH-RTCCRHLQSA-N 1 2 253.729 2.028 20 10 CECDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(F)c1O ZINC000272335022 373434573 /nfs/dbraw/zinc/43/45/73/373434573.db2.gz XHVNZDHZNMMWLB-UHFFFAOYSA-N 1 2 269.316 2.305 20 10 CECDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(F)c1O ZINC000272335022 373434579 /nfs/dbraw/zinc/43/45/79/373434579.db2.gz XHVNZDHZNMMWLB-UHFFFAOYSA-N 1 2 269.316 2.305 20 10 CECDLO Cn1c[nH+]c2c1CCN(Cc1cccc(Cl)c1O)C2 ZINC000375012245 374639346 /nfs/dbraw/zinc/63/93/46/374639346.db2.gz KIPOMGARJVCPPZ-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Cc1cn2c(n1)C[N@@H+](Cc1cc(C)ccc1O)CC2 ZINC000374701077 374628710 /nfs/dbraw/zinc/62/87/10/374628710.db2.gz OZBGDGUEPDURJP-UHFFFAOYSA-N 1 2 257.337 2.221 20 10 CECDLO Cc1cn2c(n1)C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC000374701077 374628717 /nfs/dbraw/zinc/62/87/17/374628717.db2.gz OZBGDGUEPDURJP-UHFFFAOYSA-N 1 2 257.337 2.221 20 10 CECDLO CCc1nnc(C[NH2+]Cc2c(O)cccc2Cl)[nH]1 ZINC000296019442 378392100 /nfs/dbraw/zinc/39/21/00/378392100.db2.gz MFDXVOGFYJTHAQ-UHFFFAOYSA-N 1 2 266.732 2.016 20 10 CECDLO CC[N@H+](Cc1cc(OC)c(OC)cc1O)CC(F)F ZINC000184087347 262008509 /nfs/dbraw/zinc/00/85/09/262008509.db2.gz KRASSMHOTPNRPU-UHFFFAOYSA-N 1 2 275.295 2.496 20 10 CECDLO CC[C@@H]([NH2+]CCOCCO)c1cccc(Cl)c1O ZINC000286835616 395029568 /nfs/dbraw/zinc/02/95/68/395029568.db2.gz DOSHRXCENRCLAR-GFCCVEGCSA-N 1 2 273.760 2.095 20 10 CECDLO Cc1nnsc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000293730196 395249642 /nfs/dbraw/zinc/24/96/42/395249642.db2.gz QACDFVVSUQTOFC-SSDOTTSWSA-N 1 2 294.336 2.311 20 10 CECDLO CCC[C@@](C)([NH2+]Cc1cccc(OC)c1O)C(=O)OC ZINC000184048461 262006184 /nfs/dbraw/zinc/00/61/84/262006184.db2.gz ZWPWPGQZYDZDER-OAHLLOKOSA-N 1 2 281.352 2.222 20 10 CECDLO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)CC(F)F ZINC000184087347 262008508 /nfs/dbraw/zinc/00/85/08/262008508.db2.gz KRASSMHOTPNRPU-UHFFFAOYSA-N 1 2 275.295 2.496 20 10 CECDLO C[C@@H]([NH2+]CC(F)(F)CO)c1cc(Cl)ccc1O ZINC000184694446 262026115 /nfs/dbraw/zinc/02/61/15/262026115.db2.gz OQZOANDYTYQYJF-SSDOTTSWSA-N 1 2 265.687 2.324 20 10 CECDLO C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000493591914 262199519 /nfs/dbraw/zinc/19/95/19/262199519.db2.gz QUXYEVZQKBZQSX-MLRMMBSGSA-N 1 2 269.304 2.237 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000371375014 267395783 /nfs/dbraw/zinc/39/57/83/267395783.db2.gz SXVSFESBVIHCET-AWEZNQCLSA-N 1 2 272.352 2.473 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000371375014 267395787 /nfs/dbraw/zinc/39/57/87/267395787.db2.gz SXVSFESBVIHCET-AWEZNQCLSA-N 1 2 272.352 2.473 20 10 CECDLO CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cccc(Cl)c1O ZINC000287635083 288064701 /nfs/dbraw/zinc/06/47/01/288064701.db2.gz KOIMUGFCAFXKSE-SKDRFNHKSA-N 1 2 282.771 2.317 20 10 CECDLO CC[C@H]([NH2+][C@H](CO)COC)c1cccc(Cl)c1O ZINC000286942143 288085144 /nfs/dbraw/zinc/08/51/44/288085144.db2.gz GXZDHJFYZOHUCY-SKDRFNHKSA-N 1 2 273.760 2.094 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CO)c1O ZINC000050150266 518278101 /nfs/dbraw/zinc/27/81/01/518278101.db2.gz NVXKLFSVGPGGNS-LBPRGKRZSA-N 1 2 283.755 2.205 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2CO)c1O ZINC000050150266 518278114 /nfs/dbraw/zinc/27/81/14/518278114.db2.gz NVXKLFSVGPGGNS-LBPRGKRZSA-N 1 2 283.755 2.205 20 10 CECDLO CN1CCCc2cc(CNC(=O)C=Cc3c[nH]c[nH+]3)ccc21 ZINC000276506563 523859760 /nfs/dbraw/zinc/85/97/60/523859760.db2.gz ALIWXNSFXPBLJN-FNORWQNLSA-N 1 2 296.374 2.122 20 10 CECDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000366564075 524865931 /nfs/dbraw/zinc/86/59/31/524865931.db2.gz ZHFSOCWFNUWYES-NEPJUHHUSA-N 1 2 253.729 2.327 20 10 CECDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H]3C[C@H]32)c1O ZINC000366564075 524865941 /nfs/dbraw/zinc/86/59/41/524865941.db2.gz ZHFSOCWFNUWYES-NEPJUHHUSA-N 1 2 253.729 2.327 20 10 CECDLO COC(=O)CCC[N@@H+]1CCCc2cc(OC)ccc21 ZINC000745455982 575138208 /nfs/dbraw/zinc/13/82/08/575138208.db2.gz NAGSWWMEOKYPBI-UHFFFAOYSA-N 1 2 263.337 2.401 20 10 CECDLO COC(=O)CCC[N@H+]1CCCc2cc(OC)ccc21 ZINC000745455982 575138210 /nfs/dbraw/zinc/13/82/10/575138210.db2.gz NAGSWWMEOKYPBI-UHFFFAOYSA-N 1 2 263.337 2.401 20 10 CECDLO C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)n1cc[nH+]c1 ZINC000752510098 575311170 /nfs/dbraw/zinc/31/11/70/575311170.db2.gz RKYDPYRIELGHSK-ZDUSSCGKSA-N 1 2 286.379 2.217 20 10 CECDLO COc1ccc(C[N@H+](C)Cc2cscn2)c(O)c1OC ZINC000891814612 623990053 /nfs/dbraw/zinc/99/00/53/623990053.db2.gz OGKGOEAQXCVDAN-UHFFFAOYSA-N 1 2 294.376 2.498 20 10 CECDLO COc1ccc(C[N@@H+](C)Cc2cscn2)c(O)c1OC ZINC000891814612 623990055 /nfs/dbraw/zinc/99/00/55/623990055.db2.gz OGKGOEAQXCVDAN-UHFFFAOYSA-N 1 2 294.376 2.498 20 10 CECDLO CCOC(=O)C[N@H+](CC)Cc1cccc(OCC)c1O ZINC000092399536 628282007 /nfs/dbraw/zinc/28/20/07/628282007.db2.gz HNIAXJSCORFEOD-UHFFFAOYSA-N 1 2 281.352 2.176 20 10 CECDLO CCOC(=O)C[N@@H+](CC)Cc1cccc(OCC)c1O ZINC000092399536 628282009 /nfs/dbraw/zinc/28/20/09/628282009.db2.gz HNIAXJSCORFEOD-UHFFFAOYSA-N 1 2 281.352 2.176 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000894043211 629099856 /nfs/dbraw/zinc/09/98/56/629099856.db2.gz FDODJTHVWKYQRH-NSHDSACASA-N 1 2 297.223 2.170 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000894043211 629099859 /nfs/dbraw/zinc/09/98/59/629099859.db2.gz FDODJTHVWKYQRH-NSHDSACASA-N 1 2 297.223 2.170 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000894860707 629698197 /nfs/dbraw/zinc/69/81/97/629698197.db2.gz XEJNWYMMRGKVQI-UHFFFAOYSA-N 1 2 299.317 2.399 20 10 CECDLO C[C@@H]1[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)CCN1C ZINC000896558643 630598343 /nfs/dbraw/zinc/59/83/43/630598343.db2.gz PNDUIWNEKIMWKE-PELKAZGASA-N 1 2 272.751 2.367 20 10 CECDLO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000896958705 630845365 /nfs/dbraw/zinc/84/53/65/630845365.db2.gz MWRQJWUFSPKOKI-JTQLQIEISA-N 1 2 285.290 2.055 20 10 CECDLO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000896958705 630845368 /nfs/dbraw/zinc/84/53/68/630845368.db2.gz MWRQJWUFSPKOKI-JTQLQIEISA-N 1 2 285.290 2.055 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]Cc1noc2c1COCC2 ZINC000897366281 631206160 /nfs/dbraw/zinc/20/61/60/631206160.db2.gz ZUDKKTROGMEUCX-UHFFFAOYSA-N 1 2 294.738 2.396 20 10 CECDLO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000802659136 631441291 /nfs/dbraw/zinc/44/12/91/631441291.db2.gz GMDIMANMQBTQCD-LLVKDONJSA-N 1 2 282.771 2.192 20 10 CECDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@H](C)CO ZINC000125745893 650041984 /nfs/dbraw/zinc/04/19/84/650041984.db2.gz GBZFXELFJNZQDW-RKDXNWHRSA-N 1 2 288.185 2.261 20 10 CECDLO CCn1nnc(C)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898218376 632093453 /nfs/dbraw/zinc/09/34/53/632093453.db2.gz FXPABRKOJZSWNT-UHFFFAOYSA-N 1 2 280.759 2.255 20 10 CECDLO Oc1cc2c(cc1C[N@@H+]1CCn3cncc3C1)CCCC2 ZINC000811788027 632444958 /nfs/dbraw/zinc/44/49/58/632444958.db2.gz WIKQHNFXPFPCBG-UHFFFAOYSA-N 1 2 283.375 2.483 20 10 CECDLO Oc1cc2c(cc1C[N@H+]1CCn3cncc3C1)CCCC2 ZINC000811788027 632444963 /nfs/dbraw/zinc/44/49/63/632444963.db2.gz WIKQHNFXPFPCBG-UHFFFAOYSA-N 1 2 283.375 2.483 20 10 CECDLO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000812778094 632576444 /nfs/dbraw/zinc/57/64/44/632576444.db2.gz BWEVJWUYXVLDTM-NSHDSACASA-N 1 2 255.745 2.391 20 10 CECDLO CC1(C)[C@@H](O)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000812778094 632576448 /nfs/dbraw/zinc/57/64/48/632576448.db2.gz BWEVJWUYXVLDTM-NSHDSACASA-N 1 2 255.745 2.391 20 10 CECDLO C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817950027 633795070 /nfs/dbraw/zinc/79/50/70/633795070.db2.gz QHEMOVVKBSBLIT-MNOVXSKESA-N 1 2 279.340 2.093 20 10 CECDLO CCn1nc(C)c(C[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC000822494173 634930738 /nfs/dbraw/zinc/93/07/38/634930738.db2.gz IFFIKPCTGDSQRA-UHFFFAOYSA-N 1 2 298.749 2.394 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(F)cc(F)c1O ZINC000903390718 635100696 /nfs/dbraw/zinc/10/06/96/635100696.db2.gz HHZQTKMQXLGUDM-SFYZADRCSA-N 1 2 259.296 2.480 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824547987 635448103 /nfs/dbraw/zinc/44/81/03/635448103.db2.gz HBNPCNLPIGAOKG-LBPRGKRZSA-N 1 2 283.755 2.491 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824547987 635448105 /nfs/dbraw/zinc/44/81/05/635448105.db2.gz HBNPCNLPIGAOKG-LBPRGKRZSA-N 1 2 283.755 2.491 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000827364583 636304660 /nfs/dbraw/zinc/30/46/60/636304660.db2.gz FXWURSVUEVLAMS-NEPJUHHUSA-N 1 2 267.756 2.439 20 10 CECDLO C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1O ZINC000827969841 636474625 /nfs/dbraw/zinc/47/46/25/636474625.db2.gz SAFJLXRTESGFGY-RYUDHWBXSA-N 1 2 285.347 2.029 20 10 CECDLO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cc(F)cc(F)c1O ZINC000834916414 637988326 /nfs/dbraw/zinc/98/83/26/637988326.db2.gz XYXVDEOYZUZFSF-NZXMKCKXSA-N 1 2 257.280 2.234 20 10 CECDLO Cc1ccc2c(c1)/C(=C/c1c[nH+]c(N(C)C)n1C)C(=O)N2C ZINC000840721214 639530124 /nfs/dbraw/zinc/53/01/24/639530124.db2.gz UHNLIZPLIATEGG-ZROIWOOFSA-N 1 2 296.374 2.312 20 10 CECDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841079724 639648851 /nfs/dbraw/zinc/64/88/51/639648851.db2.gz QSBLYUJIQLCGKZ-UWVGGRQHSA-N 1 2 293.169 2.489 20 10 CECDLO O=C(C[NH2+]Cc1ccc(F)c(F)c1O)NC1CCCCC1 ZINC000877010275 650530560 /nfs/dbraw/zinc/53/05/60/650530560.db2.gz RSHVXUYBVVJMIQ-UHFFFAOYSA-N 1 2 298.333 2.209 20 10 CECDLO COC(=O)[C@H](CC(C)(C)C)[NH2+]Cc1cc(OC)ccc1O ZINC000843423746 640424461 /nfs/dbraw/zinc/42/44/61/640424461.db2.gz QRLSECQNFHVUNE-ZDUSSCGKSA-N 1 2 295.379 2.468 20 10 CECDLO COC(=O)[C@@H](CC(C)(C)C)[NH2+]Cc1cc(OC)ccc1O ZINC000843423745 640424669 /nfs/dbraw/zinc/42/46/69/640424669.db2.gz QRLSECQNFHVUNE-CYBMUJFWSA-N 1 2 295.379 2.468 20 10 CECDLO CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1=O ZINC000846207813 641222006 /nfs/dbraw/zinc/22/20/06/641222006.db2.gz GCOHLAXSCJDYMA-VHSXEESVSA-N 1 2 298.333 2.189 20 10 CECDLO Cc1cccc([C@H]2C(=O)NCC[N@H+]2Cc2ccccc2O)c1 ZINC000848951421 642201720 /nfs/dbraw/zinc/20/17/20/642201720.db2.gz ULEOHWDHKKLTMN-KRWDZBQOSA-N 1 2 296.370 2.374 20 10 CECDLO Cc1cccc([C@H]2C(=O)NCC[N@@H+]2Cc2ccccc2O)c1 ZINC000848951421 642201725 /nfs/dbraw/zinc/20/17/25/642201725.db2.gz ULEOHWDHKKLTMN-KRWDZBQOSA-N 1 2 296.370 2.374 20 10 CECDLO CCn1cc(C[NH2+]Cc2c(O)cc(C)cc2Cl)nn1 ZINC000850366699 642685002 /nfs/dbraw/zinc/68/50/02/642685002.db2.gz JJZCRHOGPQYNCO-UHFFFAOYSA-N 1 2 280.759 2.255 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000789585475 644263795 /nfs/dbraw/zinc/26/37/95/644263795.db2.gz AAGDIFNNMWAVQK-KCJUWKMLSA-N 1 2 273.735 2.435 20 10 CECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cscn2)c1 ZINC000756508350 644657310 /nfs/dbraw/zinc/65/73/10/644657310.db2.gz IUFUNXRRJZTCRO-VIFPVBQESA-N 1 2 292.360 2.486 20 10 CECDLO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)cc(F)c1O ZINC000863547659 646753744 /nfs/dbraw/zinc/75/37/44/646753744.db2.gz RGXLXGCSXXABFV-WCABBAIRSA-N 1 2 270.323 2.462 20 10 CECDLO OCCC[N@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000775700709 646982801 /nfs/dbraw/zinc/98/28/01/646982801.db2.gz HWQNLZRMZLRKEE-UHFFFAOYSA-N 1 2 255.745 2.392 20 10 CECDLO OCCC[N@@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000775700709 646982803 /nfs/dbraw/zinc/98/28/03/646982803.db2.gz HWQNLZRMZLRKEE-UHFFFAOYSA-N 1 2 255.745 2.392 20 10 CECDLO OCCOC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775732242 646985171 /nfs/dbraw/zinc/98/51/71/646985171.db2.gz MNPQKOQAYZYLGD-UHFFFAOYSA-N 1 2 285.771 2.019 20 10 CECDLO OC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC000776177525 647032434 /nfs/dbraw/zinc/03/24/34/647032434.db2.gz RHYFPNASTPVXFG-LLVKDONJSA-N 1 2 259.708 2.045 20 10 CECDLO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(F)cc(F)c1O ZINC000866416392 647779970 /nfs/dbraw/zinc/77/99/70/647779970.db2.gz UUNFJJUNSSRACJ-OYNCUSHFSA-N 1 2 257.280 2.092 20 10 CECDLO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cc(F)cc(F)c1O ZINC000788984316 648241924 /nfs/dbraw/zinc/24/19/24/648241924.db2.gz KNXPSXHCAJWXTA-IQJOONFLSA-N 1 2 271.307 2.482 20 10 CECDLO Cc1cc(N(C)C)ccc1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000793512128 648768149 /nfs/dbraw/zinc/76/81/49/648768149.db2.gz LBGPCDKMXXUTIS-UHFFFAOYSA-N 1 2 286.379 2.033 20 10 CECDLO Cc1cc(N(C)C)ccc1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000793512128 648768155 /nfs/dbraw/zinc/76/81/55/648768155.db2.gz LBGPCDKMXXUTIS-UHFFFAOYSA-N 1 2 286.379 2.033 20 10 CECDLO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000124714804 649727444 /nfs/dbraw/zinc/72/74/44/649727444.db2.gz VOXULECYIASFFO-SNVBAGLBSA-N 1 2 284.787 2.440 20 10 CECDLO CCN(C)c1ccc(Cn2cc(Cn3cc[nH+]c3)nn2)cc1 ZINC000881314790 651678548 /nfs/dbraw/zinc/67/85/48/651678548.db2.gz FCUCWCYXJWSKLK-UHFFFAOYSA-N 1 2 296.378 2.027 20 10 CECDLO COCCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743439 814989964 /nfs/dbraw/zinc/98/99/64/814989964.db2.gz BIROYCFNWDUJLG-UHFFFAOYSA-N 1 2 292.148 2.420 20 10 CECDLO CC1([NH3+])CN(Cc2cc(Cl)cc(Cl)c2O)C1 ZINC001204965187 805422717 /nfs/dbraw/zinc/42/27/17/805422717.db2.gz GIXACGFEHMFOOR-UHFFFAOYSA-N 1 2 261.152 2.232 20 10 CECDLO COc1cc(C)c(C[N@H+](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001236809687 808169729 /nfs/dbraw/zinc/16/97/29/808169729.db2.gz ZQVYEPGNLKZFRU-UHFFFAOYSA-N 1 2 295.379 2.483 20 10 CECDLO COc1cc(C)c(C[N@@H+](C)CC(=O)OC(C)(C)C)c(O)c1 ZINC001236809687 808169732 /nfs/dbraw/zinc/16/97/32/808169732.db2.gz ZQVYEPGNLKZFRU-UHFFFAOYSA-N 1 2 295.379 2.483 20 10 CECDLO Oc1ccccc1C[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001203556061 808699690 /nfs/dbraw/zinc/69/96/90/808699690.db2.gz JBXCMALHOUFHTA-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO Oc1ccccc1C[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001203556061 808699696 /nfs/dbraw/zinc/69/96/96/808699696.db2.gz JBXCMALHOUFHTA-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000703445838 809650566 /nfs/dbraw/zinc/65/05/66/809650566.db2.gz COMXKQNIRFSLPM-CYBMUJFWSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000703445838 809650569 /nfs/dbraw/zinc/65/05/69/809650569.db2.gz COMXKQNIRFSLPM-CYBMUJFWSA-N 1 2 282.334 2.196 20 10 CECDLO Oc1cccc(F)c1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001137838744 809808312 /nfs/dbraw/zinc/80/83/12/809808312.db2.gz JNOMRAVORUHIKV-UHFFFAOYSA-N 1 2 282.334 2.149 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH2+]CCN1CC=CCC1 ZINC000708555926 809945739 /nfs/dbraw/zinc/94/57/39/809945739.db2.gz QDLDATGEHTYHQO-UHFFFAOYSA-N 1 2 268.307 2.022 20 10 CECDLO COCc1noc2c1C[N@H+](Cc1c(O)cccc1F)CC2 ZINC001137834329 815692593 /nfs/dbraw/zinc/69/25/93/815692593.db2.gz CNGRLRANHGFOOS-UHFFFAOYSA-N 1 2 292.310 2.224 20 10 CECDLO COCc1noc2c1C[N@@H+](Cc1c(O)cccc1F)CC2 ZINC001137834329 815692598 /nfs/dbraw/zinc/69/25/98/815692598.db2.gz CNGRLRANHGFOOS-UHFFFAOYSA-N 1 2 292.310 2.224 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2cccc(F)c2O)CCC1=O ZINC001138124087 815733576 /nfs/dbraw/zinc/73/35/76/815733576.db2.gz YUSLDZRRQRSISY-SNVBAGLBSA-N 1 2 251.301 2.332 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)CCC1=O ZINC001138124087 815733580 /nfs/dbraw/zinc/73/35/80/815733580.db2.gz YUSLDZRRQRSISY-SNVBAGLBSA-N 1 2 251.301 2.332 20 10 CECDLO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c(F)ccc(F)c1O ZINC001139686418 816083860 /nfs/dbraw/zinc/08/38/60/816083860.db2.gz YORPMRNOXOJQJG-LBPRGKRZSA-N 1 2 271.307 2.406 20 10 CECDLO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1O ZINC001139686418 816083867 /nfs/dbraw/zinc/08/38/67/816083867.db2.gz YORPMRNOXOJQJG-LBPRGKRZSA-N 1 2 271.307 2.406 20 10 CECDLO CN(C1CC1)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140060180 816181335 /nfs/dbraw/zinc/18/13/35/816181335.db2.gz ODAUKIYAXXXXBD-AWEZNQCLSA-N 1 2 264.344 2.200 20 10 CECDLO CN(C1CC1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140060180 816181340 /nfs/dbraw/zinc/18/13/40/816181340.db2.gz ODAUKIYAXXXXBD-AWEZNQCLSA-N 1 2 264.344 2.200 20 10 CECDLO CO[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140461069 816258282 /nfs/dbraw/zinc/25/82/82/816258282.db2.gz DEVBWHNTBPMROQ-CMPLNLGQSA-N 1 2 259.708 2.214 20 10 CECDLO CO[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140461069 816258287 /nfs/dbraw/zinc/25/82/87/816258287.db2.gz DEVBWHNTBPMROQ-CMPLNLGQSA-N 1 2 259.708 2.214 20 10 CECDLO Cn1cnc2c1C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140464159 816259806 /nfs/dbraw/zinc/25/98/06/816259806.db2.gz FBHUTFOWBAWECX-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Cn1cnc2c1C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140464159 816259812 /nfs/dbraw/zinc/25/98/12/816259812.db2.gz FBHUTFOWBAWECX-UHFFFAOYSA-N 1 2 277.755 2.337 20 10 CECDLO Nc1ccc(N(CCO)c2ccc[nH+]c2N2CCCC2)cc1 ZINC001176751054 816465935 /nfs/dbraw/zinc/46/59/35/816465935.db2.gz UQOWYFSSPJHLAK-UHFFFAOYSA-N 1 2 298.390 2.394 20 10 CECDLO CN1CCOc2cc(C[N@H+](C)Cc3ccon3)ccc21 ZINC001141144247 816485928 /nfs/dbraw/zinc/48/59/28/816485928.db2.gz XCFAAYYRTWOPIN-UHFFFAOYSA-N 1 2 273.336 2.135 20 10 CECDLO CN1CCOc2cc(C[N@@H+](C)Cc3ccon3)ccc21 ZINC001141144247 816485930 /nfs/dbraw/zinc/48/59/30/816485930.db2.gz XCFAAYYRTWOPIN-UHFFFAOYSA-N 1 2 273.336 2.135 20 10 CECDLO O=C1C[N@@H+](Cc2c(O)cccc2Cl)[C@H]2CCCC[C@H]2N1 ZINC000123603601 365639791 /nfs/dbraw/zinc/63/97/91/365639791.db2.gz YJKLWJILSXKQAQ-OLZOCXBDSA-N 1 2 294.782 2.289 20 10 CECDLO O=C1C[N@H+](Cc2c(O)cccc2Cl)[C@H]2CCCC[C@H]2N1 ZINC000123603601 365639798 /nfs/dbraw/zinc/63/97/98/365639798.db2.gz YJKLWJILSXKQAQ-OLZOCXBDSA-N 1 2 294.782 2.289 20 10 CECDLO Nc1[nH+]cnc(N2CC=C(c3cccnc3)CC2)c1Cl ZINC000365048496 344813079 /nfs/dbraw/zinc/81/30/79/344813079.db2.gz UVCLMPATBUBZKV-UHFFFAOYSA-N 1 2 287.754 2.401 20 10 CECDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc(C)c1O ZINC000083482111 363776666 /nfs/dbraw/zinc/77/66/66/363776666.db2.gz WVWXYFDDXYTENG-ZDUSSCGKSA-N 1 2 265.353 2.378 20 10 CECDLO OCCO[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180175712 368370374 /nfs/dbraw/zinc/37/03/74/368370374.db2.gz VZQRWYJKPOHIEG-LBPRGKRZSA-N 1 2 285.771 2.019 20 10 CECDLO OCCO[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180175712 368370377 /nfs/dbraw/zinc/37/03/77/368370377.db2.gz VZQRWYJKPOHIEG-LBPRGKRZSA-N 1 2 285.771 2.019 20 10 CECDLO COc1ccc(O)c(C[N@H+](C)Cc2cc(C)on2)c1 ZINC000179734910 368350280 /nfs/dbraw/zinc/35/02/80/368350280.db2.gz WPEYFJUSTUHGTA-UHFFFAOYSA-N 1 2 262.309 2.329 20 10 CECDLO COc1ccc(O)c(C[N@@H+](C)Cc2cc(C)on2)c1 ZINC000179734910 368350283 /nfs/dbraw/zinc/35/02/83/368350283.db2.gz WPEYFJUSTUHGTA-UHFFFAOYSA-N 1 2 262.309 2.329 20 10 CECDLO Oc1ccc(F)cc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000179895832 368356792 /nfs/dbraw/zinc/35/67/92/368356792.db2.gz IKMPBFSGMOHOMM-UHFFFAOYSA-N 1 2 292.276 2.211 20 10 CECDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cc(F)ccc1O ZINC000180024507 368362571 /nfs/dbraw/zinc/36/25/71/368362571.db2.gz BEAPBWJQPIZRDC-UHFFFAOYSA-N 1 2 269.316 2.305 20 10 CECDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cc(F)ccc1O ZINC000180024507 368362575 /nfs/dbraw/zinc/36/25/75/368362575.db2.gz BEAPBWJQPIZRDC-UHFFFAOYSA-N 1 2 269.316 2.305 20 10 CECDLO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000191184832 369690101 /nfs/dbraw/zinc/69/01/01/369690101.db2.gz KYBLXYPBJSAVTJ-VIFPVBQESA-N 1 2 286.322 2.093 20 10 CECDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1c(O)cccc1Cl ZINC000271174186 373161056 /nfs/dbraw/zinc/16/10/56/373161056.db2.gz GCNBYCFKHIQIQP-GFCCVEGCSA-N 1 2 282.771 2.146 20 10 CECDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000271174186 373161065 /nfs/dbraw/zinc/16/10/65/373161065.db2.gz GCNBYCFKHIQIQP-GFCCVEGCSA-N 1 2 282.771 2.146 20 10 CECDLO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(F)c(F)c1O ZINC000276986869 374371828 /nfs/dbraw/zinc/37/18/28/374371828.db2.gz WUASNRXCRZVGJP-XROYCOCOSA-N 1 2 271.307 2.480 20 10 CECDLO C[C@H]([NH2+]CC(F)(F)CO)c1cc(Cl)ccc1O ZINC000184694426 262025713 /nfs/dbraw/zinc/02/57/13/262025713.db2.gz OQZOANDYTYQYJF-ZETCQYMHSA-N 1 2 265.687 2.324 20 10 CECDLO Cc1ccc(O)c(CN2CC[NH+](CCOC(C)C)CC2)c1 ZINC000093586756 394667030 /nfs/dbraw/zinc/66/70/30/394667030.db2.gz LYRXSZFOUNACSK-UHFFFAOYSA-N 1 2 292.423 2.243 20 10 CECDLO CC[C@@H]([NH2+]CC[C@H](O)COC)c1cccc(Cl)c1O ZINC000287728627 395046212 /nfs/dbraw/zinc/04/62/12/395046212.db2.gz PATZKGNLEADJAE-GXFFZTMASA-N 1 2 287.787 2.484 20 10 CECDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000177676377 395154120 /nfs/dbraw/zinc/15/41/20/395154120.db2.gz GGOXCDBGQOAJTK-JTQLQIEISA-N 1 2 277.324 2.115 20 10 CECDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccccc2O)n1 ZINC000177676377 395154126 /nfs/dbraw/zinc/15/41/26/395154126.db2.gz GGOXCDBGQOAJTK-JTQLQIEISA-N 1 2 277.324 2.115 20 10 CECDLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@@]23CCOC3)c1O ZINC000195018116 395456612 /nfs/dbraw/zinc/45/66/12/395456612.db2.gz BIAILPJBCUKDMQ-HNNXBMFYSA-N 1 2 297.782 2.345 20 10 CECDLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@@]23CCOC3)c1O ZINC000195018116 395456614 /nfs/dbraw/zinc/45/66/14/395456614.db2.gz BIAILPJBCUKDMQ-HNNXBMFYSA-N 1 2 297.782 2.345 20 10 CECDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000124536782 262554391 /nfs/dbraw/zinc/55/43/91/262554391.db2.gz UFCNHUKJAYRUFL-GFCCVEGCSA-N 1 2 282.771 2.146 20 10 CECDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000124536782 262554392 /nfs/dbraw/zinc/55/43/92/262554392.db2.gz UFCNHUKJAYRUFL-GFCCVEGCSA-N 1 2 282.771 2.146 20 10 CECDLO CC(C)n1ncnc1C[N@H+](C)Cc1ccccc1O ZINC000279947707 520128913 /nfs/dbraw/zinc/12/89/13/520128913.db2.gz HMYYUKBQZGJWFA-UHFFFAOYSA-N 1 2 260.341 2.197 20 10 CECDLO CC(C)n1ncnc1C[N@@H+](C)Cc1ccccc1O ZINC000279947707 520128917 /nfs/dbraw/zinc/12/89/17/520128917.db2.gz HMYYUKBQZGJWFA-UHFFFAOYSA-N 1 2 260.341 2.197 20 10 CECDLO COc1cc(Cl)cc(CN2CCn3c[nH+]cc3C2)c1O ZINC000291611604 522537369 /nfs/dbraw/zinc/53/73/69/522537369.db2.gz RBJDVQPHQUNPSD-UHFFFAOYSA-N 1 2 293.754 2.267 20 10 CECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1c(O)cccc1Cl ZINC000280997353 523525895 /nfs/dbraw/zinc/52/58/95/523525895.db2.gz XKWYXVJNBNQTMG-MRVPVSSYSA-N 1 2 257.717 2.039 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1c(O)cccc1Cl ZINC000280997353 523525900 /nfs/dbraw/zinc/52/59/00/523525900.db2.gz XKWYXVJNBNQTMG-MRVPVSSYSA-N 1 2 257.717 2.039 20 10 CECDLO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc(F)c(F)c1O ZINC000276986858 525637416 /nfs/dbraw/zinc/63/74/16/525637416.db2.gz WUASNRXCRZVGJP-BKDNQFJXSA-N 1 2 271.307 2.480 20 10 CECDLO OC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)CCC1(F)F ZINC000291236841 527620649 /nfs/dbraw/zinc/62/06/49/527620649.db2.gz KXHLFEINKKIOKE-SNVBAGLBSA-N 1 2 291.725 2.495 20 10 CECDLO OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCC1(F)F ZINC000291236841 527620653 /nfs/dbraw/zinc/62/06/53/527620653.db2.gz KXHLFEINKKIOKE-SNVBAGLBSA-N 1 2 291.725 2.495 20 10 CECDLO O=C(NCc1ccccc1O)Nc1ccc2[nH+]ccn2c1 ZINC000738952805 574886892 /nfs/dbraw/zinc/88/68/92/574886892.db2.gz UZUBMZVYYGGKLS-UHFFFAOYSA-N 1 2 282.303 2.362 20 10 CECDLO Oc1c(F)cc(F)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000893921936 629047121 /nfs/dbraw/zinc/04/71/21/629047121.db2.gz UZIQRPXXTJQGPO-UHFFFAOYSA-N 1 2 285.290 2.009 20 10 CECDLO COc1cc(O)c(C[NH+]2CC(C(F)(F)F)C2)cc1OC ZINC000894891863 629727234 /nfs/dbraw/zinc/72/72/34/629727234.db2.gz QOAJHAAFFSBAJB-UHFFFAOYSA-N 1 2 291.269 2.404 20 10 CECDLO CC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(F)cc1O ZINC000796817709 630019959 /nfs/dbraw/zinc/01/99/59/630019959.db2.gz KFUXDPMOCKYQMM-GFCCVEGCSA-N 1 2 291.330 2.094 20 10 CECDLO CCN1CC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000895672624 630300872 /nfs/dbraw/zinc/30/08/72/630300872.db2.gz WGGKCASMGPNITC-JTQLQIEISA-N 1 2 272.751 2.369 20 10 CECDLO Oc1ccccc1C[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896939619 630830172 /nfs/dbraw/zinc/83/01/72/630830172.db2.gz LBVAWRZTILTLLA-UHFFFAOYSA-N 1 2 269.348 2.482 20 10 CECDLO Oc1ccccc1C[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000896939619 630830180 /nfs/dbraw/zinc/83/01/80/630830180.db2.gz LBVAWRZTILTLLA-UHFFFAOYSA-N 1 2 269.348 2.482 20 10 CECDLO C[S@](=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000799739248 631074557 /nfs/dbraw/zinc/07/45/57/631074557.db2.gz SFJMHGDIAMQGFV-SFHVURJKSA-N 1 2 291.775 2.185 20 10 CECDLO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000897344555 631150179 /nfs/dbraw/zinc/15/01/79/631150179.db2.gz DOTOZOPGLMGLAI-CYBMUJFWSA-N 1 2 296.798 2.440 20 10 CECDLO C[C@@H](CO)[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000125746161 650041793 /nfs/dbraw/zinc/04/17/93/650041793.db2.gz GBZFXELFJNZQDW-IUCAKERBSA-N 1 2 288.185 2.261 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000898114806 632055674 /nfs/dbraw/zinc/05/56/74/632055674.db2.gz BHJGYURQEUUFNF-CYBMUJFWSA-N 1 2 297.782 2.473 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(Cl)c1 ZINC000898187913 632101126 /nfs/dbraw/zinc/10/11/26/632101126.db2.gz JGYUBWLXTUJALV-NWDGAFQWSA-N 1 2 273.735 2.259 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)c(Cl)c1 ZINC000898187913 632101129 /nfs/dbraw/zinc/10/11/29/632101129.db2.gz JGYUBWLXTUJALV-NWDGAFQWSA-N 1 2 273.735 2.259 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000816574572 633416179 /nfs/dbraw/zinc/41/61/79/633416179.db2.gz MNSNAXSLJYOWAU-JTQLQIEISA-N 1 2 295.745 2.486 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[NH+]1CC2(C1)CCOC2 ZINC000816668934 633460491 /nfs/dbraw/zinc/46/04/91/633460491.db2.gz CAXGKUKFPORLOG-UHFFFAOYSA-N 1 2 271.719 2.407 20 10 CECDLO CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(Cl)c1[O-] ZINC000817984188 633825879 /nfs/dbraw/zinc/82/58/79/633825879.db2.gz VTYKENPGRZUFKR-MFKMUULPSA-N 1 2 284.787 2.075 20 10 CECDLO C[C@H](N[C@H]1CCCC[NH2+]C1)c1cc(F)cc(F)c1O ZINC000817984680 633826459 /nfs/dbraw/zinc/82/64/59/633826459.db2.gz XHCDINJMQCJRCB-ONGXEEELSA-N 1 2 270.323 2.463 20 10 CECDLO CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(Cl)c1[O-] ZINC000817984189 633826894 /nfs/dbraw/zinc/82/68/94/633826894.db2.gz VTYKENPGRZUFKR-ZWNOBZJWSA-N 1 2 284.787 2.075 20 10 CECDLO CCn1c[nH+]cc1/C=C1\SC(=S)N(CC)C1=O ZINC000901415090 634099392 /nfs/dbraw/zinc/09/93/92/634099392.db2.gz CTOMQCNNUVINJW-UITAMQMPSA-N 1 2 267.379 2.124 20 10 CECDLO CCOC(=O)C[N@H+](CCCF)Cc1ccccc1O ZINC000823582124 635220437 /nfs/dbraw/zinc/22/04/37/635220437.db2.gz YVUZRCYMRQDFGH-UHFFFAOYSA-N 1 2 269.316 2.117 20 10 CECDLO CCOC(=O)C[N@@H+](CCCF)Cc1ccccc1O ZINC000823582124 635220444 /nfs/dbraw/zinc/22/04/44/635220444.db2.gz YVUZRCYMRQDFGH-UHFFFAOYSA-N 1 2 269.316 2.117 20 10 CECDLO C[C@@H](O)C1([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000827585956 636359304 /nfs/dbraw/zinc/35/93/04/636359304.db2.gz ROQGCXPRSWXELK-SSDOTTSWSA-N 1 2 259.708 2.188 20 10 CECDLO C[C@]1(O)CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876759557 650423696 /nfs/dbraw/zinc/42/36/96/650423696.db2.gz MZOOXCOFNSQCLG-ZDUSSCGKSA-N 1 2 257.280 2.017 20 10 CECDLO C[C@]1(O)CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876759557 650423697 /nfs/dbraw/zinc/42/36/97/650423697.db2.gz MZOOXCOFNSQCLG-ZDUSSCGKSA-N 1 2 257.280 2.017 20 10 CECDLO CC[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1cccc(Cl)c1O ZINC000840837737 639557689 /nfs/dbraw/zinc/55/76/89/639557689.db2.gz LVJWCRFCYQTDBU-CABZTGNLSA-N 1 2 282.771 2.222 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2cn[nH]c2C1 ZINC000840917846 639585878 /nfs/dbraw/zinc/58/58/78/639585878.db2.gz OHCFTKUJPQQPRR-UHFFFAOYSA-N 1 2 270.380 2.342 20 10 CECDLO Cc1cc(N(C)C)ccc1C[N@H+]1CCc2cn[nH]c2C1 ZINC000840917846 639585886 /nfs/dbraw/zinc/58/58/86/639585886.db2.gz OHCFTKUJPQQPRR-UHFFFAOYSA-N 1 2 270.380 2.342 20 10 CECDLO COc1ccc(O)c([C@@H](C)Nc2[nH+]cnc3c2cnn3C)c1 ZINC000171607917 639723998 /nfs/dbraw/zinc/72/39/98/639723998.db2.gz ZPESQTAJTFZLMY-SECBINFHSA-N 1 2 299.334 2.251 20 10 CECDLO COc1c(N)[nH+]cnc1NCc1ccc(N(C)C)cc1C ZINC000848665579 642094047 /nfs/dbraw/zinc/09/40/47/642094047.db2.gz DYSFVEMCLQCTDM-UHFFFAOYSA-N 1 2 287.367 2.054 20 10 CECDLO COc1c(N)nc[nH+]c1NCc1ccc(N(C)C)cc1C ZINC000848665579 642094051 /nfs/dbraw/zinc/09/40/51/642094051.db2.gz DYSFVEMCLQCTDM-UHFFFAOYSA-N 1 2 287.367 2.054 20 10 CECDLO COc1ccc(N2CC[C@H]([NH2+]Cc3cn[nH]c3C)C2)cc1 ZINC000850345598 642674027 /nfs/dbraw/zinc/67/40/27/642674027.db2.gz FSWBFRIHEMNTDC-AWEZNQCLSA-N 1 2 286.379 2.095 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000877544874 650779247 /nfs/dbraw/zinc/77/92/47/650779247.db2.gz ZXQQOJLDCVPZPT-LLVKDONJSA-N 1 2 279.290 2.314 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000877544874 650779251 /nfs/dbraw/zinc/77/92/51/650779251.db2.gz ZXQQOJLDCVPZPT-LLVKDONJSA-N 1 2 279.290 2.314 20 10 CECDLO CCOC(=O)c1ccc(C[N@@H+]2Cc3cccc(O)c3C2)[nH]1 ZINC000877702582 650859717 /nfs/dbraw/zinc/85/97/17/650859717.db2.gz CGELMJHNCFCXAM-UHFFFAOYSA-N 1 2 286.331 2.413 20 10 CECDLO CCOC(=O)c1ccc(C[N@H+]2Cc3cccc(O)c3C2)[nH]1 ZINC000877702582 650859719 /nfs/dbraw/zinc/85/97/19/650859719.db2.gz CGELMJHNCFCXAM-UHFFFAOYSA-N 1 2 286.331 2.413 20 10 CECDLO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ncnn1C ZINC000788983938 644247730 /nfs/dbraw/zinc/24/77/30/644247730.db2.gz PDIGLSXGYMHENW-HTQZYQBOSA-N 1 2 282.294 2.211 20 10 CECDLO COc1cc(C)cc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000754731401 644422334 /nfs/dbraw/zinc/42/23/34/644422334.db2.gz ALTBIIKUQAPYJQ-PVUDRZGPSA-N 1 2 297.420 2.051 20 10 CECDLO COc1cc(C)cc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000754731401 644422338 /nfs/dbraw/zinc/42/23/38/644422338.db2.gz ALTBIIKUQAPYJQ-PVUDRZGPSA-N 1 2 297.420 2.051 20 10 CECDLO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cc(F)cc(F)c1O ZINC000756446609 644650430 /nfs/dbraw/zinc/65/04/30/644650430.db2.gz SOGWVTIPWZHCSF-KOLCDFICSA-N 1 2 270.323 2.415 20 10 CECDLO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(F)cc(F)c1O ZINC000756533451 644660028 /nfs/dbraw/zinc/66/00/28/644660028.db2.gz HUBOOKDLNXWMJN-RKDXNWHRSA-N 1 2 258.312 2.271 20 10 CECDLO C[C@H](CCO)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756617647 644674404 /nfs/dbraw/zinc/67/44/04/644674404.db2.gz JRUHXBIIIRDWKG-BDAKNGLRSA-N 1 2 259.296 2.340 20 10 CECDLO C[C@@H]([NH2+]CCNc1cnccn1)c1cc(F)cc(F)c1O ZINC000756644932 644678282 /nfs/dbraw/zinc/67/82/82/644678282.db2.gz DGXKRKIEENXHAD-SECBINFHSA-N 1 2 294.305 2.223 20 10 CECDLO CC[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cccc(Cl)c1O ZINC000858602235 645218059 /nfs/dbraw/zinc/21/80/59/645218059.db2.gz UNHMCWKLSXZDRE-FZMZJTMJSA-N 1 2 298.814 2.153 20 10 CECDLO COc1cc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c(O)cc1C ZINC000768444863 646123653 /nfs/dbraw/zinc/12/36/53/646123653.db2.gz CZZZSHDNBDVIEM-ZBUHCNDUSA-N 1 2 297.420 2.051 20 10 CECDLO COc1cc(C[N@H+]2CC[S@](=O)[C@H](C)[C@@H]2C)c(O)cc1C ZINC000768444863 646123656 /nfs/dbraw/zinc/12/36/56/646123656.db2.gz CZZZSHDNBDVIEM-ZBUHCNDUSA-N 1 2 297.420 2.051 20 10 CECDLO CN(C)c1cc(F)c(C[N@H+](C)Cc2cn[nH]c2)cc1F ZINC000862244930 646378336 /nfs/dbraw/zinc/37/83/36/646378336.db2.gz HJZCRXOJHHQHLI-UHFFFAOYSA-N 1 2 280.322 2.386 20 10 CECDLO CN(C)c1cc(F)c(C[N@@H+](C)Cc2cn[nH]c2)cc1F ZINC000862244930 646378344 /nfs/dbraw/zinc/37/83/44/646378344.db2.gz HJZCRXOJHHQHLI-UHFFFAOYSA-N 1 2 280.322 2.386 20 10 CECDLO CCOC(=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000770666238 646423675 /nfs/dbraw/zinc/42/36/75/646423675.db2.gz WRMSQLDGPOLFIC-UHFFFAOYSA-N 1 2 283.755 2.479 20 10 CECDLO CCN(C)c1ccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1 ZINC000773756759 646773488 /nfs/dbraw/zinc/77/34/88/646773488.db2.gz ZLIJHKILJRYDPR-CKNLXJGOSA-N 1 2 294.464 2.484 20 10 CECDLO CCN(C)c1ccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@H]2C)cc1 ZINC000773756759 646773492 /nfs/dbraw/zinc/77/34/92/646773492.db2.gz ZLIJHKILJRYDPR-CKNLXJGOSA-N 1 2 294.464 2.484 20 10 CECDLO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775664953 646977563 /nfs/dbraw/zinc/97/75/63/646977563.db2.gz STJBBMHGZNHQJD-NSHDSACASA-N 1 2 282.771 2.276 20 10 CECDLO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775664953 646977564 /nfs/dbraw/zinc/97/75/64/646977564.db2.gz STJBBMHGZNHQJD-NSHDSACASA-N 1 2 282.771 2.276 20 10 CECDLO Cc1cc(C[NH2+]Cc2cccc(Cl)c2O)ncn1 ZINC000776254443 647043219 /nfs/dbraw/zinc/04/32/19/647043219.db2.gz WJEQRAXNYHHUNG-UHFFFAOYSA-N 1 2 263.728 2.434 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)[C@H]1CO ZINC000785984683 647975544 /nfs/dbraw/zinc/97/55/44/647975544.db2.gz RGYPHHHNCDBFSM-PELKAZGASA-N 1 2 273.735 2.387 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)[C@H]1CO ZINC000785984683 647975546 /nfs/dbraw/zinc/97/55/46/647975546.db2.gz RGYPHHHNCDBFSM-PELKAZGASA-N 1 2 273.735 2.387 20 10 CECDLO CO[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792164646 648617085 /nfs/dbraw/zinc/61/70/85/648617085.db2.gz BRMYKRGGJPPAKD-QMMMGPOBSA-N 1 2 259.708 2.405 20 10 CECDLO CO[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792164646 648617091 /nfs/dbraw/zinc/61/70/91/648617091.db2.gz BRMYKRGGJPPAKD-QMMMGPOBSA-N 1 2 259.708 2.405 20 10 CECDLO COc1ccc(N2CC[C@H](Nc3cc[nH+]cc3F)C2)cc1 ZINC000882578662 652143737 /nfs/dbraw/zinc/14/37/37/652143737.db2.gz SMLXGBVHYYTCGN-LBPRGKRZSA-N 1 2 287.338 2.342 20 10 CECDLO CC(C)(CO)C[NH2+]Cc1cccc(Br)c1O ZINC000133525157 652645897 /nfs/dbraw/zinc/64/58/97/652645897.db2.gz DGRJLFWMQBDFEW-UHFFFAOYSA-N 1 2 288.185 2.263 20 10 CECDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cc(F)ccc1O ZINC001140063729 802559511 /nfs/dbraw/zinc/55/95/11/802559511.db2.gz XSRYLDMJFYZXBM-XHDPSFHLSA-N 1 2 279.311 2.059 20 10 CECDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cc(F)ccc1O ZINC001140063729 802559515 /nfs/dbraw/zinc/55/95/15/802559515.db2.gz XSRYLDMJFYZXBM-XHDPSFHLSA-N 1 2 279.311 2.059 20 10 CECDLO C[C@H](O)CC[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743340 814990044 /nfs/dbraw/zinc/99/00/44/814990044.db2.gz AECGHFXLKCCYBC-ZETCQYMHSA-N 1 2 292.148 2.154 20 10 CECDLO C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2O)CC[C@H]1O ZINC001237807362 808257578 /nfs/dbraw/zinc/25/75/78/808257578.db2.gz IDTNNXQFMQPQFY-QPUJVOFHSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2O)CC[C@H]1O ZINC001237807362 808257583 /nfs/dbraw/zinc/25/75/83/808257583.db2.gz IDTNNXQFMQPQFY-QPUJVOFHSA-N 1 2 273.735 2.387 20 10 CECDLO CC1CC(n2nnc3c2C[N@H+](Cc2ccc(N)cc2)CC3)C1 ZINC001120268513 815209336 /nfs/dbraw/zinc/20/93/36/815209336.db2.gz GZTZOKMGPFMXIK-UHFFFAOYSA-N 1 2 297.406 2.390 20 10 CECDLO CC1CC(n2nnc3c2C[N@@H+](Cc2ccc(N)cc2)CC3)C1 ZINC001120268513 815209340 /nfs/dbraw/zinc/20/93/40/815209340.db2.gz GZTZOKMGPFMXIK-UHFFFAOYSA-N 1 2 297.406 2.390 20 10 CECDLO CC(C)[NH+]1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000703518884 809654127 /nfs/dbraw/zinc/65/41/27/809654127.db2.gz UFUIHSJRNCMGCF-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO Cc1ccc(C)n1-c1ccc([NH2+]CCC(N)=O)cc1 ZINC001168953937 811303758 /nfs/dbraw/zinc/30/37/58/811303758.db2.gz BDLZMLOOHQLBNO-UHFFFAOYSA-N 1 2 257.337 2.381 20 10 CECDLO Cc1cc2[nH+]ccn2cc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170314918 812384863 /nfs/dbraw/zinc/38/48/63/812384863.db2.gz KSKLIDJZQQOELN-UHFFFAOYSA-N 1 2 297.314 2.349 20 10 CECDLO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)F ZINC000389952158 813258195 /nfs/dbraw/zinc/25/81/95/813258195.db2.gz XSPDLHPHGWBCTJ-LLVKDONJSA-N 1 2 270.323 2.266 20 10 CECDLO Cc1cc(C[N@H+](C)Cc2c(O)cccc2F)n(C)n1 ZINC001137837695 815692810 /nfs/dbraw/zinc/69/28/10/815692810.db2.gz QZEIWZIDMIIRCE-UHFFFAOYSA-N 1 2 263.316 2.205 20 10 CECDLO Cc1cc(C[N@@H+](C)Cc2c(O)cccc2F)n(C)n1 ZINC001137837695 815692817 /nfs/dbraw/zinc/69/28/17/815692817.db2.gz QZEIWZIDMIIRCE-UHFFFAOYSA-N 1 2 263.316 2.205 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001137840052 815694634 /nfs/dbraw/zinc/69/46/34/815694634.db2.gz QFONIIWBIAVRFX-CYBMUJFWSA-N 1 2 251.301 2.142 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001137840052 815694638 /nfs/dbraw/zinc/69/46/38/815694638.db2.gz QFONIIWBIAVRFX-CYBMUJFWSA-N 1 2 251.301 2.142 20 10 CECDLO C[N@@H+]1CC[C@]2(CCN(Cc3c(O)cccc3F)C2)C1 ZINC001137840130 815694832 /nfs/dbraw/zinc/69/48/32/815694832.db2.gz RUXIHIPDOYJVIA-HNNXBMFYSA-N 1 2 264.344 2.059 20 10 CECDLO C[N@H+]1CC[C@]2(CCN(Cc3c(O)cccc3F)C2)C1 ZINC001137840130 815694835 /nfs/dbraw/zinc/69/48/35/815694835.db2.gz RUXIHIPDOYJVIA-HNNXBMFYSA-N 1 2 264.344 2.059 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H]1C ZINC001139127280 815965467 /nfs/dbraw/zinc/96/54/67/815965467.db2.gz SXKZKILJLBXBQC-JTQLQIEISA-N 1 2 259.305 2.401 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H]1C ZINC001139127280 815965472 /nfs/dbraw/zinc/96/54/72/815965472.db2.gz SXKZKILJLBXBQC-JTQLQIEISA-N 1 2 259.305 2.401 20 10 CECDLO C[C@@H]1COCC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583026 816291873 /nfs/dbraw/zinc/29/18/73/816291873.db2.gz UHUQMNHFZPMHGB-VIFPVBQESA-N 1 2 257.280 2.139 20 10 CECDLO C[C@@H]1COCC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583026 816291877 /nfs/dbraw/zinc/29/18/77/816291877.db2.gz UHUQMNHFZPMHGB-VIFPVBQESA-N 1 2 257.280 2.139 20 10 CECDLO COc1cc(O)c(C[NH+]2CC3(C2)CCCCO3)c(OC)c1 ZINC001141026537 816449191 /nfs/dbraw/zinc/44/91/91/816449191.db2.gz UOCSBQUWOMZVAI-UHFFFAOYSA-N 1 2 293.363 2.164 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001142512810 816678994 /nfs/dbraw/zinc/67/89/94/816678994.db2.gz LXVACRXATODRKP-PELKAZGASA-N 1 2 291.244 2.136 20 10 CECDLO Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001142512810 816679002 /nfs/dbraw/zinc/67/90/02/816679002.db2.gz LXVACRXATODRKP-PELKAZGASA-N 1 2 291.244 2.136 20 10 CECDLO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1cccc(Cl)c1O ZINC000180043232 368365365 /nfs/dbraw/zinc/36/53/65/368365365.db2.gz UFNPJMHCHCTWKI-LBPRGKRZSA-N 1 2 282.771 2.002 20 10 CECDLO CC(C)[C@H]1C(=O)NCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000180043232 368365370 /nfs/dbraw/zinc/36/53/70/368365370.db2.gz UFNPJMHCHCTWKI-LBPRGKRZSA-N 1 2 282.771 2.002 20 10 CECDLO CCC[C@](C)([NH2+]Cc1cc(OC)ccc1O)C(=O)OC ZINC000180036244 368365413 /nfs/dbraw/zinc/36/54/13/368365413.db2.gz NTDHHWWOJNZYBD-HNNXBMFYSA-N 1 2 281.352 2.222 20 10 CECDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1c(O)cccc1Cl ZINC000271174187 373160616 /nfs/dbraw/zinc/16/06/16/373160616.db2.gz GCNBYCFKHIQIQP-LBPRGKRZSA-N 1 2 282.771 2.146 20 10 CECDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000271174187 373160619 /nfs/dbraw/zinc/16/06/19/373160619.db2.gz GCNBYCFKHIQIQP-LBPRGKRZSA-N 1 2 282.771 2.146 20 10 CECDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000271196725 373174673 /nfs/dbraw/zinc/17/46/73/373174673.db2.gz OAABMCWMIRXIPT-VPZZIHKRSA-N 1 2 280.437 2.094 20 10 CECDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000271196725 373174679 /nfs/dbraw/zinc/17/46/79/373174679.db2.gz OAABMCWMIRXIPT-VPZZIHKRSA-N 1 2 280.437 2.094 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1cnn(C)c1 ZINC000273620691 373768239 /nfs/dbraw/zinc/76/82/39/373768239.db2.gz YZIQLTDDYXBBLV-UWVGGRQHSA-N 1 2 290.323 2.446 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@@]1=O ZINC000277647684 374593011 /nfs/dbraw/zinc/59/30/11/374593011.db2.gz OBSLSVISSMSDIC-ODXCJYRJSA-N 1 2 298.427 2.235 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[S@@]1=O ZINC000277647684 374593019 /nfs/dbraw/zinc/59/30/19/374593019.db2.gz OBSLSVISSMSDIC-ODXCJYRJSA-N 1 2 298.427 2.235 20 10 CECDLO Cc1cc(Cl)cc(C[N@@H+]2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282861564 375597052 /nfs/dbraw/zinc/59/70/52/375597052.db2.gz XHGYKMOKJUJJCT-SNVBAGLBSA-N 1 2 282.771 2.017 20 10 CECDLO Cc1cc(Cl)cc(C[N@H+]2CC(=O)N(C)[C@H](C)C2)c1O ZINC000282861564 375597059 /nfs/dbraw/zinc/59/70/59/375597059.db2.gz XHGYKMOKJUJJCT-SNVBAGLBSA-N 1 2 282.771 2.017 20 10 CECDLO CC[C@@H]([NH2+][C@H](C)c1ncn(C)n1)c1ccc(F)cc1O ZINC000287375810 376217970 /nfs/dbraw/zinc/21/79/70/376217970.db2.gz HZGHJHJULFOYJD-BXKDBHETSA-N 1 2 278.331 2.462 20 10 CECDLO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000291993673 377219517 /nfs/dbraw/zinc/21/95/17/377219517.db2.gz WWDLUARULBCKJR-BQBZGAKWSA-N 1 2 291.178 2.484 20 10 CECDLO Cc1cccc2c1N(C(=O)C=Cc1c[nH]c[nH+]1)CC2 ZINC000492807775 380695644 /nfs/dbraw/zinc/69/56/44/380695644.db2.gz BSKDMJFWHLCFSQ-AATRIKPKSA-N 1 2 253.305 2.321 20 10 CECDLO COc1ccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)cc1F ZINC000493118156 380805451 /nfs/dbraw/zinc/80/54/51/380805451.db2.gz FGRGZHADEZIGQY-ZZXKWVIFSA-N 1 2 275.283 2.234 20 10 CECDLO CCCc1noc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000109769042 394734781 /nfs/dbraw/zinc/73/47/81/394734781.db2.gz FAXGJHLVOBLCBR-UHFFFAOYSA-N 1 2 261.325 2.360 20 10 CECDLO C[C@H]1COCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000132608893 394934768 /nfs/dbraw/zinc/93/47/68/394934768.db2.gz XBVMWXNGNZQVBF-VIFPVBQESA-N 1 2 286.169 2.375 20 10 CECDLO C[C@H]1COCC[N@H+]1Cc1cc(Br)ccc1O ZINC000132608893 394934769 /nfs/dbraw/zinc/93/47/69/394934769.db2.gz XBVMWXNGNZQVBF-VIFPVBQESA-N 1 2 286.169 2.375 20 10 CECDLO O=C1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]2CCCCN12 ZINC000367348121 394961906 /nfs/dbraw/zinc/96/19/06/394961906.db2.gz DVNCKMSBGHOGDT-OLZOCXBDSA-N 1 2 294.782 2.289 20 10 CECDLO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cccc(Cl)c1O ZINC000287635071 395044829 /nfs/dbraw/zinc/04/48/29/395044829.db2.gz KOIMUGFCAFXKSE-BXKDBHETSA-N 1 2 282.771 2.317 20 10 CECDLO CCOC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000186475336 262095005 /nfs/dbraw/zinc/09/50/05/262095005.db2.gz MQOHVUNJTIBPKT-NSHDSACASA-N 1 2 298.770 2.366 20 10 CECDLO CC[C@H]([NH2+]Cc1nncn1C)c1cccc(Cl)c1O ZINC000287565621 288051556 /nfs/dbraw/zinc/05/15/56/288051556.db2.gz GKSLDRPICUCFNI-NSHDSACASA-N 1 2 280.759 2.415 20 10 CECDLO CC[C@H]([NH2+]C[C@]1(O)CCOC1)c1cccc(Cl)c1O ZINC000287277818 288050305 /nfs/dbraw/zinc/05/03/05/288050305.db2.gz BHZBZNGUVSUQDP-GXTWGEPZSA-N 1 2 285.771 2.238 20 10 CECDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1nnc2n1CCC2 ZINC000165016810 331305704 /nfs/dbraw/zinc/30/57/04/331305704.db2.gz OEUZULHJYBTMDV-VIFPVBQESA-N 1 2 292.770 2.434 20 10 CECDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)[C@@H]1OC ZINC000274934349 520372110 /nfs/dbraw/zinc/37/21/10/520372110.db2.gz PCDRQVPXHKPIER-BZPMIXESSA-N 1 2 285.771 2.328 20 10 CECDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000280363183 524624297 /nfs/dbraw/zinc/62/42/97/524624297.db2.gz UOMJYSWZOWSSSE-NHYWBVRUSA-N 1 2 297.782 2.425 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000280363183 524624305 /nfs/dbraw/zinc/62/43/05/524624305.db2.gz UOMJYSWZOWSSSE-NHYWBVRUSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCc1cn[nH]c1 ZINC000291619940 526327273 /nfs/dbraw/zinc/32/72/73/526327273.db2.gz ROUCSHBIRVTWJC-UHFFFAOYSA-N 1 2 251.717 2.101 20 10 CECDLO CCOc1ccc(C[NH2+]Cc2nc(C(F)F)no2)c(O)c1 ZINC000895726886 630317259 /nfs/dbraw/zinc/31/72/59/630317259.db2.gz JQIJJISKXAHMCY-UHFFFAOYSA-N 1 2 299.277 2.401 20 10 CECDLO C[C@H]1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCN1C ZINC000896554173 630596596 /nfs/dbraw/zinc/59/65/96/630596596.db2.gz IPIUPRWPBLQGCN-QPUJVOFHSA-N 1 2 272.751 2.367 20 10 CECDLO Oc1cccc(F)c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000896636487 630620763 /nfs/dbraw/zinc/62/07/63/630620763.db2.gz DIWKUYKHRASDIA-NEPJUHHUSA-N 1 2 264.344 2.248 20 10 CECDLO Oc1cccc(F)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000896636487 630620765 /nfs/dbraw/zinc/62/07/65/630620765.db2.gz DIWKUYKHRASDIA-NEPJUHHUSA-N 1 2 264.344 2.248 20 10 CECDLO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000125745675 650041362 /nfs/dbraw/zinc/04/13/62/650041362.db2.gz GBZFXELFJNZQDW-DTWKUNHWSA-N 1 2 288.185 2.261 20 10 CECDLO CCOc1ccc(C[N@H+](C)Cc2cnc[nH]2)c(O)c1 ZINC000826769620 635842438 /nfs/dbraw/zinc/84/24/38/635842438.db2.gz OWGCJVOSQSDSAK-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO CCOc1ccc(C[N@@H+](C)Cc2cnc[nH]2)c(O)c1 ZINC000826769620 635842445 /nfs/dbraw/zinc/84/24/45/635842445.db2.gz OWGCJVOSQSDSAK-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO COC(=O)C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816488528 633398125 /nfs/dbraw/zinc/39/81/25/633398125.db2.gz WYQFKAZRMAHNCV-UHFFFAOYSA-N 1 2 259.305 2.150 20 10 CECDLO Oc1c(Br)cccc1C[NH2+]C1CCOCC1 ZINC000042411951 633960164 /nfs/dbraw/zinc/96/01/64/633960164.db2.gz IGCDSZHBRKRUPO-UHFFFAOYSA-N 1 2 286.169 2.423 20 10 CECDLO CC(C)OC(=O)[C@@H]([NH2+]Cc1ccccc1O)C(C)C ZINC000824845842 635510591 /nfs/dbraw/zinc/51/05/91/635510591.db2.gz NNCPUVIQUCODOT-AWEZNQCLSA-N 1 2 265.353 2.458 20 10 CECDLO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1cn(C)nn1 ZINC000835048310 638038101 /nfs/dbraw/zinc/03/81/01/638038101.db2.gz PXWOZHFZNOJLMK-VOTSOKGWSA-N 1 2 299.422 2.416 20 10 CECDLO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1cn(C)nn1 ZINC000835048310 638038106 /nfs/dbraw/zinc/03/81/06/638038106.db2.gz PXWOZHFZNOJLMK-VOTSOKGWSA-N 1 2 299.422 2.416 20 10 CECDLO OCCC1(C[NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000157531231 639494713 /nfs/dbraw/zinc/49/47/13/639494713.db2.gz KPAHRPXGZRRJFK-UHFFFAOYSA-N 1 2 255.745 2.298 20 10 CECDLO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@H](CF)C2)cc1 ZINC000840955452 639600315 /nfs/dbraw/zinc/60/03/15/639600315.db2.gz VCWDLTBVKCQLCJ-QDLOVBKTSA-N 1 2 278.371 2.436 20 10 CECDLO CN(C)c1ccc(/C=C/C[N@H+]2CCO[C@H](CF)C2)cc1 ZINC000840955452 639600321 /nfs/dbraw/zinc/60/03/21/639600321.db2.gz VCWDLTBVKCQLCJ-QDLOVBKTSA-N 1 2 278.371 2.436 20 10 CECDLO COC(=O)[C@H](CC1CC1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000840959114 639601393 /nfs/dbraw/zinc/60/13/93/639601393.db2.gz UEPMPWLJHPZCGU-AWEZNQCLSA-N 1 2 277.364 2.440 20 10 CECDLO [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000841089112 639653184 /nfs/dbraw/zinc/65/31/84/639653184.db2.gz DROVTMHBAHRNTH-LLVKDONJSA-N 1 2 299.212 2.386 20 10 CECDLO CO[C@@H](C[NH2+]Cc1ccc(F)c(F)c1O)C(F)(F)F ZINC000877027373 650537643 /nfs/dbraw/zinc/53/76/43/650537643.db2.gz NSKNRBYBIIWTRL-QMMMGPOBSA-N 1 2 285.212 2.337 20 10 CECDLO COC(=O)[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000843424016 640424619 /nfs/dbraw/zinc/42/46/19/640424619.db2.gz SZTMXOACHQNHJV-GFCCVEGCSA-N 1 2 265.353 2.460 20 10 CECDLO COc1ccc(N(C)CCN(C)c2cc[nH+]c(C)n2)cc1 ZINC000845672086 641044090 /nfs/dbraw/zinc/04/40/90/641044090.db2.gz IIGXFVBQZRNCFD-UHFFFAOYSA-N 1 2 286.379 2.366 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846110282 641185748 /nfs/dbraw/zinc/18/57/48/641185748.db2.gz XSMANXQRFUYMHA-CQSZACIVSA-N 1 2 285.771 2.067 20 10 CECDLO CCN1C[C@H](C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1=O ZINC000846207814 641222145 /nfs/dbraw/zinc/22/21/45/641222145.db2.gz GCOHLAXSCJDYMA-ZJUUUORDSA-N 1 2 298.333 2.189 20 10 CECDLO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877409260 650711017 /nfs/dbraw/zinc/71/10/17/650711017.db2.gz ONXPVPDQPZDQQE-UWVGGRQHSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(F)c(F)c1O ZINC000877409260 650711018 /nfs/dbraw/zinc/71/10/18/650711018.db2.gz ONXPVPDQPZDQQE-UWVGGRQHSA-N 1 2 270.323 2.195 20 10 CECDLO CCC[C@@H]([NH2+]Cc1cccc(C)c1O)C(=O)OC ZINC000083385016 642064853 /nfs/dbraw/zinc/06/48/53/642064853.db2.gz MSWJBOSZXQQKJV-GFCCVEGCSA-N 1 2 251.326 2.132 20 10 CECDLO CCOc1cccc(C[N@H+](C)Cc2nc(C)no2)c1O ZINC000848927422 642197498 /nfs/dbraw/zinc/19/74/98/642197498.db2.gz FJYVXVFGIAJREB-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO CCOc1cccc(C[N@@H+](C)Cc2nc(C)no2)c1O ZINC000848927422 642197504 /nfs/dbraw/zinc/19/75/04/642197504.db2.gz FJYVXVFGIAJREB-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO COc1cccc(C[N@H+](C)[C@@H](C)c2nc(C)no2)c1O ZINC000848926441 642197573 /nfs/dbraw/zinc/19/75/73/642197573.db2.gz XTVSLIHQTLKBCF-VIFPVBQESA-N 1 2 277.324 2.285 20 10 CECDLO COc1cccc(C[N@@H+](C)[C@@H](C)c2nc(C)no2)c1O ZINC000848926441 642197579 /nfs/dbraw/zinc/19/75/79/642197579.db2.gz XTVSLIHQTLKBCF-VIFPVBQESA-N 1 2 277.324 2.285 20 10 CECDLO COCC1(C)C[NH+](Cc2ccc(F)c(F)c2O)C1 ZINC000877582011 650799567 /nfs/dbraw/zinc/79/95/67/650799567.db2.gz DJTBLJMGYSZKLX-UHFFFAOYSA-N 1 2 257.280 2.139 20 10 CECDLO CC[C@]1(O)CCC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877691523 650853172 /nfs/dbraw/zinc/85/31/72/650853172.db2.gz PSDNYIVQXGSHCI-AWEZNQCLSA-N 1 2 271.307 2.407 20 10 CECDLO CC[C@]1(O)CCC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877691523 650853175 /nfs/dbraw/zinc/85/31/75/650853175.db2.gz PSDNYIVQXGSHCI-AWEZNQCLSA-N 1 2 271.307 2.407 20 10 CECDLO COC(=O)C1CC([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000877721492 650870281 /nfs/dbraw/zinc/87/02/81/650870281.db2.gz PMAUSRPSMOIBQR-UHFFFAOYSA-N 1 2 269.728 2.087 20 10 CECDLO CC(C)C1(O)C[NH+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000839133560 644170366 /nfs/dbraw/zinc/17/03/66/644170366.db2.gz VLJQNGXYSSBUFU-UHFFFAOYSA-N 1 2 266.360 2.094 20 10 CECDLO Cc1cc(O)c(C[NH+]2CC(OCC(F)F)C2)cc1C ZINC000839138364 644170656 /nfs/dbraw/zinc/17/06/56/644170656.db2.gz PSCPYJPCZLBEDL-UHFFFAOYSA-N 1 2 271.307 2.475 20 10 CECDLO CC(C)NC(=O)CC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756396427 644643595 /nfs/dbraw/zinc/64/35/95/644643595.db2.gz NFLIQCNOFDQZML-SECBINFHSA-N 1 2 286.322 2.236 20 10 CECDLO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756450963 644650751 /nfs/dbraw/zinc/65/07/51/644650751.db2.gz WWRLDNHOQXPOOA-UWVGGRQHSA-N 1 2 298.333 2.332 20 10 CECDLO C[C@@H]1C[C@H]([NH2+]CC(F)(F)CO)c2c1c(F)ccc2O ZINC000768285116 646104242 /nfs/dbraw/zinc/10/42/42/646104242.db2.gz DVKWCTYIDNOBGG-APPZFPTMSA-N 1 2 275.270 2.297 20 10 CECDLO CN(C)c1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1F ZINC000769383770 646257830 /nfs/dbraw/zinc/25/78/30/646257830.db2.gz IPHSRGQLBRLMHY-UHFFFAOYSA-N 1 2 262.332 2.247 20 10 CECDLO CN(C)c1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1F ZINC000769383770 646257836 /nfs/dbraw/zinc/25/78/36/646257836.db2.gz IPHSRGQLBRLMHY-UHFFFAOYSA-N 1 2 262.332 2.247 20 10 CECDLO O=C1OCC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000770389700 646385369 /nfs/dbraw/zinc/38/53/69/646385369.db2.gz IASOBMNVJGIZTB-SNVBAGLBSA-N 1 2 296.754 2.072 20 10 CECDLO O=C1OCC[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)CCN12 ZINC000770389700 646385371 /nfs/dbraw/zinc/38/53/71/646385371.db2.gz IASOBMNVJGIZTB-SNVBAGLBSA-N 1 2 296.754 2.072 20 10 CECDLO Cc1ccc(O)c(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000862754961 646556901 /nfs/dbraw/zinc/55/69/01/646556901.db2.gz MGTVXURYTOXADY-UHFFFAOYSA-N 1 2 299.374 2.092 20 10 CECDLO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000863546644 646753432 /nfs/dbraw/zinc/75/34/32/646753432.db2.gz MFHWZEHNOQRTKA-GMTAPVOTSA-N 1 2 279.340 2.092 20 10 CECDLO CC(C)C[N@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000775653241 646976642 /nfs/dbraw/zinc/97/66/42/646976642.db2.gz AZIZGFHKHIRTSS-UHFFFAOYSA-N 1 2 288.750 2.128 20 10 CECDLO CC(C)C[N@@H+](CC(N)=O)Cc1cc(Cl)cc(F)c1O ZINC000775653241 646976643 /nfs/dbraw/zinc/97/66/43/646976643.db2.gz AZIZGFHKHIRTSS-UHFFFAOYSA-N 1 2 288.750 2.128 20 10 CECDLO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000780787560 647471343 /nfs/dbraw/zinc/47/13/43/647471343.db2.gz VYBROLNIGNDUBS-DTWKUNHWSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000780787560 647471345 /nfs/dbraw/zinc/47/13/45/647471345.db2.gz VYBROLNIGNDUBS-DTWKUNHWSA-N 1 2 273.735 2.387 20 10 CECDLO COC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000784668561 647873643 /nfs/dbraw/zinc/87/36/43/647873643.db2.gz QLZGUCKJTKYALC-JSGCOSHPSA-N 1 2 296.386 2.127 20 10 CECDLO COC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000784668561 647873645 /nfs/dbraw/zinc/87/36/45/647873645.db2.gz QLZGUCKJTKYALC-JSGCOSHPSA-N 1 2 296.386 2.127 20 10 CECDLO CN(Cc1ccccc1O)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000788283349 648169845 /nfs/dbraw/zinc/16/98/45/648169845.db2.gz OHLGKYAICNDAKD-UHFFFAOYSA-N 1 2 273.336 2.052 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ncnn1C ZINC000789595387 648321809 /nfs/dbraw/zinc/32/18/09/648321809.db2.gz UFAVXNHBKXNFMD-SSDOTTSWSA-N 1 2 284.722 2.164 20 10 CECDLO COc1ccc(C[NH2+]Cc2cocn2)cc1Cn1cccn1 ZINC000873048102 649543203 /nfs/dbraw/zinc/54/32/03/649543203.db2.gz PCMQMZYORSDJQM-UHFFFAOYSA-N 1 2 298.346 2.218 20 10 CECDLO OCC1([NH2+]Cc2cccc(Cl)c2O)CCCC1 ZINC000127878653 651328488 /nfs/dbraw/zinc/32/84/88/651328488.db2.gz NGKUFNCXEAAFSS-UHFFFAOYSA-N 1 2 255.745 2.440 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000211706932 651807877 /nfs/dbraw/zinc/80/78/77/651807877.db2.gz IEXUXEMFUALUJS-AOOOYVTPSA-N 1 2 253.729 2.409 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000211706932 651807882 /nfs/dbraw/zinc/80/78/82/651807882.db2.gz IEXUXEMFUALUJS-AOOOYVTPSA-N 1 2 253.729 2.409 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)CO)c1cc(Br)cc(F)c1O ZINC000134925949 652891683 /nfs/dbraw/zinc/89/16/83/652891683.db2.gz OEWSZEMGQZUQTB-NKWVEPMBSA-N 1 2 292.148 2.325 20 10 CECDLO CCOC(=O)[C@H]([NH2+]Cc1cccc(CC)c1O)C1CC1 ZINC001118399509 815011144 /nfs/dbraw/zinc/01/11/44/815011144.db2.gz FOWCDMLXBZRHKR-CQSZACIVSA-N 1 2 277.364 2.386 20 10 CECDLO Oc1c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)ccc(F)c1F ZINC001119243972 815078165 /nfs/dbraw/zinc/07/81/65/815078165.db2.gz AIOPYSZLGSUXJO-AWEZNQCLSA-N 1 2 269.291 2.017 20 10 CECDLO Oc1c(C[N@H+]2CC[C@@](O)(C3CC3)C2)ccc(F)c1F ZINC001119243972 815078172 /nfs/dbraw/zinc/07/81/72/815078172.db2.gz AIOPYSZLGSUXJO-AWEZNQCLSA-N 1 2 269.291 2.017 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236296947 808055465 /nfs/dbraw/zinc/05/54/65/808055465.db2.gz ZHRZRJQRWVQGEL-GZMMTYOYSA-N 1 2 273.163 2.103 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CC[NH+](CC2CC2)CC1 ZINC001139682830 814728389 /nfs/dbraw/zinc/72/83/89/814728389.db2.gz DOLRFJZMEVIZGO-UHFFFAOYSA-N 1 2 282.334 2.198 20 10 CECDLO COCCN(Cc1c(O)cccc1F)C1CC[NH+](C)CC1 ZINC001137837364 815692658 /nfs/dbraw/zinc/69/26/58/815692658.db2.gz CZJQGDFBTPUIKT-UHFFFAOYSA-N 1 2 296.386 2.074 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+](C)[C@@H]1CCOC1 ZINC001139127009 815965098 /nfs/dbraw/zinc/96/50/98/815965098.db2.gz AUJNXJFJVZXFAB-LLVKDONJSA-N 1 2 289.331 2.028 20 10 CECDLO Cc1cc(=O)oc2c1ccc(O)c2C[N@H+](C)[C@@H]1CCOC1 ZINC001139127009 815965102 /nfs/dbraw/zinc/96/51/02/815965102.db2.gz AUJNXJFJVZXFAB-LLVKDONJSA-N 1 2 289.331 2.028 20 10 CECDLO C[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CCC[C@@H]1O ZINC001140582813 816290677 /nfs/dbraw/zinc/29/06/77/816290677.db2.gz NFJXKMWRVIESNT-ZANVPECISA-N 1 2 271.307 2.263 20 10 CECDLO C[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CCC[C@@H]1O ZINC001140582813 816290683 /nfs/dbraw/zinc/29/06/83/816290683.db2.gz NFJXKMWRVIESNT-ZANVPECISA-N 1 2 271.307 2.263 20 10 CECDLO Oc1ccc(O)c(C[NH+]2CC(OCc3ccccc3)C2)c1 ZINC001141159014 816490834 /nfs/dbraw/zinc/49/08/34/816490834.db2.gz VXRJCHAUGHVQBP-UHFFFAOYSA-N 1 2 285.343 2.499 20 10 CECDLO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(F)c(F)c1O ZINC000187764167 299353163 /nfs/dbraw/zinc/35/31/63/299353163.db2.gz YMDIALMQJHKFSC-LPEHRKFASA-N 1 2 269.291 2.258 20 10 CECDLO O=C1C[N@@H+](Cc2cccc(Cl)c2O)[C@H]2CCCC[C@@H]2N1 ZINC000179921978 368357985 /nfs/dbraw/zinc/35/79/85/368357985.db2.gz KRHPVMARWYUDDK-STQMWFEESA-N 1 2 294.782 2.289 20 10 CECDLO O=C1C[N@H+](Cc2cccc(Cl)c2O)[C@H]2CCCC[C@@H]2N1 ZINC000179921978 368357991 /nfs/dbraw/zinc/35/79/91/368357991.db2.gz KRHPVMARWYUDDK-STQMWFEESA-N 1 2 294.782 2.289 20 10 CECDLO COC(=O)[C@]1(C)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180567734 368386160 /nfs/dbraw/zinc/38/61/60/368386160.db2.gz LLANJHYOBNIKDU-CQSZACIVSA-N 1 2 283.755 2.431 20 10 CECDLO COC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180567734 368386164 /nfs/dbraw/zinc/38/61/64/368386164.db2.gz LLANJHYOBNIKDU-CQSZACIVSA-N 1 2 283.755 2.431 20 10 CECDLO C[C@@H]([NH2+]CCSCCCO)c1ccc(F)c(F)c1O ZINC000187703878 296126510 /nfs/dbraw/zinc/12/65/10/296126510.db2.gz ILGSJOKZFVAVGL-SECBINFHSA-N 1 2 291.363 2.437 20 10 CECDLO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(F)c(F)c1O ZINC000189335268 369500092 /nfs/dbraw/zinc/50/00/92/369500092.db2.gz NZLIZKLRHUNWMI-UTLUCORTSA-N 1 2 271.307 2.482 20 10 CECDLO CCn1cnnc1C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276899736 374339435 /nfs/dbraw/zinc/33/94/35/374339435.db2.gz IWWQJDKBWNDZDU-MRVPVSSYSA-N 1 2 282.294 2.133 20 10 CECDLO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000294815685 378020938 /nfs/dbraw/zinc/02/09/38/378020938.db2.gz FOCZXZPLDWCAQA-NSHDSACASA-N 1 2 286.734 2.025 20 10 CECDLO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000294815685 378020946 /nfs/dbraw/zinc/02/09/46/378020946.db2.gz FOCZXZPLDWCAQA-NSHDSACASA-N 1 2 286.734 2.025 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC12CC(C1)CO2 ZINC000529663853 380182042 /nfs/dbraw/zinc/18/20/42/380182042.db2.gz UOUHRRQXMAMCNA-UHFFFAOYSA-N 1 2 271.719 2.453 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@H]2CCCN2c2ccccc21 ZINC000492814291 380698294 /nfs/dbraw/zinc/69/82/94/380698294.db2.gz UHHRUBADBJDISJ-WBTMPAOCSA-N 1 2 294.358 2.439 20 10 CECDLO CN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccc(F)cc21 ZINC000493009489 380760454 /nfs/dbraw/zinc/76/04/54/380760454.db2.gz WCPBJNICAWLXJA-HWKANZROSA-N 1 2 286.310 2.045 20 10 CECDLO COCc1noc([C@@H](C)[N@H+](C)Cc2ccccc2O)n1 ZINC000182161152 395233595 /nfs/dbraw/zinc/23/35/95/395233595.db2.gz BCKAOUFSQTUBQP-SNVBAGLBSA-N 1 2 277.324 2.115 20 10 CECDLO COCc1noc([C@@H](C)[N@@H+](C)Cc2ccccc2O)n1 ZINC000182161152 395233598 /nfs/dbraw/zinc/23/35/98/395233598.db2.gz BCKAOUFSQTUBQP-SNVBAGLBSA-N 1 2 277.324 2.115 20 10 CECDLO COc1ccc([NH+]2CCC(N(C)C(C)=O)CC2)cc1 ZINC000368850499 267209326 /nfs/dbraw/zinc/20/93/26/267209326.db2.gz KRURWZOKIANQSE-UHFFFAOYSA-N 1 2 262.353 2.142 20 10 CECDLO CC[N@H+](CC(=O)OC)Cc1c(O)cccc1Cl ZINC000271151473 328195564 /nfs/dbraw/zinc/19/55/64/328195564.db2.gz KTKNILKKRKGFDP-UHFFFAOYSA-N 1 2 257.717 2.041 20 10 CECDLO CC[N@@H+](CC(=O)OC)Cc1c(O)cccc1Cl ZINC000271151473 328195566 /nfs/dbraw/zinc/19/55/66/328195566.db2.gz KTKNILKKRKGFDP-UHFFFAOYSA-N 1 2 257.717 2.041 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000281015101 328238130 /nfs/dbraw/zinc/23/81/30/328238130.db2.gz YWHIIYBIBNBNHW-MRVPVSSYSA-N 1 2 257.717 2.039 20 10 CECDLO COc1cc(Cl)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000228666696 329058653 /nfs/dbraw/zinc/05/86/53/329058653.db2.gz MOKNTMJASNBQCT-TXEJJXNPSA-N 1 2 283.755 2.417 20 10 CECDLO COc1cc(Cl)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000228666696 329058654 /nfs/dbraw/zinc/05/86/54/329058654.db2.gz MOKNTMJASNBQCT-TXEJJXNPSA-N 1 2 283.755 2.417 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000180707531 329222389 /nfs/dbraw/zinc/22/23/89/329222389.db2.gz YDXCLLBCPRPKIB-KBPBESRZSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000180707531 329222390 /nfs/dbraw/zinc/22/23/90/329222390.db2.gz YDXCLLBCPRPKIB-KBPBESRZSA-N 1 2 297.782 2.425 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H](C)[C@H]2C)c1O ZINC000156367668 518288261 /nfs/dbraw/zinc/28/82/61/518288261.db2.gz RFURAEGLFNIJKG-MWLCHTKSSA-N 1 2 281.327 2.343 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1O ZINC000156367668 518288266 /nfs/dbraw/zinc/28/82/66/518288266.db2.gz RFURAEGLFNIJKG-MWLCHTKSSA-N 1 2 281.327 2.343 20 10 CECDLO CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC000366544599 520352395 /nfs/dbraw/zinc/35/23/95/520352395.db2.gz MUVIMMHUPQZJMO-DZGCQCFKSA-N 1 2 263.337 2.154 20 10 CECDLO CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c(O)c1 ZINC000366544599 520352398 /nfs/dbraw/zinc/35/23/98/520352398.db2.gz MUVIMMHUPQZJMO-DZGCQCFKSA-N 1 2 263.337 2.154 20 10 CECDLO CCc1nc(C)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)o1 ZINC000291663815 522206801 /nfs/dbraw/zinc/20/68/01/522206801.db2.gz BVOZDJFIFDGMLE-UHFFFAOYSA-N 1 2 291.307 2.449 20 10 CECDLO Cc1ccc(O)c(C[N@H+](C)CC(=O)OC(C)(C)C)c1 ZINC000126947688 525340441 /nfs/dbraw/zinc/34/04/41/525340441.db2.gz CVFLKBIGPPFDGF-UHFFFAOYSA-N 1 2 265.353 2.474 20 10 CECDLO Cc1ccc(O)c(C[N@@H+](C)CC(=O)OC(C)(C)C)c1 ZINC000126947688 525340445 /nfs/dbraw/zinc/34/04/45/525340445.db2.gz CVFLKBIGPPFDGF-UHFFFAOYSA-N 1 2 265.353 2.474 20 10 CECDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364997173 527613456 /nfs/dbraw/zinc/61/34/56/527613456.db2.gz WMACOUXBJVULNG-FUEXJSSKSA-N 1 2 299.330 2.198 20 10 CECDLO OC[C@]1(F)CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000289775475 527624887 /nfs/dbraw/zinc/62/48/87/527624887.db2.gz KWBAMRBJINLMGZ-ZDUSSCGKSA-N 1 2 273.735 2.342 20 10 CECDLO OC[C@]1(F)CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000289775475 527624895 /nfs/dbraw/zinc/62/48/95/527624895.db2.gz KWBAMRBJINLMGZ-ZDUSSCGKSA-N 1 2 273.735 2.342 20 10 CECDLO CCN(C)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000732922173 574635913 /nfs/dbraw/zinc/63/59/13/574635913.db2.gz CHRIBUSRCOPUJZ-UHFFFAOYSA-N 1 2 291.395 2.325 20 10 CECDLO COc1ccc(N(C)Cc2c[nH+]cn2C)cc1OC ZINC000751468126 575289991 /nfs/dbraw/zinc/28/99/91/575289991.db2.gz CYRCMDJJMAMRJV-UHFFFAOYSA-N 1 2 261.325 2.074 20 10 CECDLO Oc1c(Br)cccc1C[NH2+]Cc1ncc[nH]1 ZINC000070819478 623574526 /nfs/dbraw/zinc/57/45/26/623574526.db2.gz GTAPJGRWHCWEAE-UHFFFAOYSA-N 1 2 282.141 2.168 20 10 CECDLO CC(=O)N1CC[N@H+](Cc2cc(F)cc(F)c2O)C(C)(C)C1 ZINC000894424720 629453961 /nfs/dbraw/zinc/45/39/61/629453961.db2.gz LRSCOSNRXSJRIG-UHFFFAOYSA-N 1 2 298.333 2.113 20 10 CECDLO CC(=O)N1CC[N@@H+](Cc2cc(F)cc(F)c2O)C(C)(C)C1 ZINC000894424720 629453963 /nfs/dbraw/zinc/45/39/63/629453963.db2.gz LRSCOSNRXSJRIG-UHFFFAOYSA-N 1 2 298.333 2.113 20 10 CECDLO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000895393446 630161983 /nfs/dbraw/zinc/16/19/83/630161983.db2.gz JZBGGEVLOZBXLI-LBPRGKRZSA-N 1 2 297.301 2.412 20 10 CECDLO C[C@H]1[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCN1C ZINC000896554174 630596624 /nfs/dbraw/zinc/59/66/24/630596624.db2.gz IPIUPRWPBLQGCN-UFBFGSQYSA-N 1 2 272.751 2.367 20 10 CECDLO C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841059357 632362392 /nfs/dbraw/zinc/36/23/92/632362392.db2.gz QECAYFCMCGQIMS-LDYMZIIASA-N 1 2 299.758 2.041 20 10 CECDLO C[N@@H+]1C[C@H]2CCN(Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000814172935 632797889 /nfs/dbraw/zinc/79/78/89/632797889.db2.gz DGZFOBPURPOYIF-ZWNOBZJWSA-N 1 2 266.772 2.182 20 10 CECDLO C[N@H+]1C[C@H]2CCN(Cc3cccc(Cl)c3O)[C@@H]2C1 ZINC000814172935 632797893 /nfs/dbraw/zinc/79/78/93/632797893.db2.gz DGZFOBPURPOYIF-ZWNOBZJWSA-N 1 2 266.772 2.182 20 10 CECDLO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1O ZINC000817949369 633795196 /nfs/dbraw/zinc/79/51/96/633795196.db2.gz JWHPXMIDSRLWTH-ZYHUDNBSSA-N 1 2 252.333 2.324 20 10 CECDLO C[C@@H](NC1C[NH2+]C1)c1ccc(Cl)c(Cl)c1O ZINC000817956309 633800085 /nfs/dbraw/zinc/80/00/85/633800085.db2.gz WGJAWZSBMQYLBH-ZCFIWIBFSA-N 1 2 261.152 2.321 20 10 CECDLO CCN(CC)c1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC000822607224 634952064 /nfs/dbraw/zinc/95/20/64/634952064.db2.gz FLUULIQTPZJPMT-UHFFFAOYSA-N 1 2 286.379 2.115 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000825232030 635594789 /nfs/dbraw/zinc/59/47/89/635594789.db2.gz LEPMHHUJBQMEBZ-QPUJVOFHSA-N 1 2 273.735 2.435 20 10 CECDLO CN(C)c1ccc(/C=C\C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000827305337 636287557 /nfs/dbraw/zinc/28/75/57/636287557.db2.gz QNGWGUHOHNRQSK-WAYWQWQTSA-N 1 2 285.395 2.026 20 10 CECDLO CN(C)c1ccc(/C=C\C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000827305337 636287564 /nfs/dbraw/zinc/28/75/64/636287564.db2.gz QNGWGUHOHNRQSK-WAYWQWQTSA-N 1 2 285.395 2.026 20 10 CECDLO COC(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000827929580 636461340 /nfs/dbraw/zinc/46/13/40/636461340.db2.gz NLKWQXCVXZKGKX-UHFFFAOYSA-N 1 2 298.770 2.366 20 10 CECDLO COc1ccc(N2CC[NH+](Cc3ccns3)CC2)cc1 ZINC000876527720 650304562 /nfs/dbraw/zinc/30/45/62/650304562.db2.gz DGHJRPPJJLOZJS-UHFFFAOYSA-N 1 2 289.404 2.474 20 10 CECDLO CC[C@@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911660660 638341496 /nfs/dbraw/zinc/34/14/96/638341496.db2.gz MODSIXCEWUJTQW-CABCVRRESA-N 1 2 291.395 2.097 20 10 CECDLO CC[C@@H](C(=O)Nc1ccc(N)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000911660660 638341504 /nfs/dbraw/zinc/34/15/04/638341504.db2.gz MODSIXCEWUJTQW-CABCVRRESA-N 1 2 291.395 2.097 20 10 CECDLO CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(C)cc2O)n1 ZINC000876794477 650434830 /nfs/dbraw/zinc/43/48/30/650434830.db2.gz AHCICPXAZBUBPJ-NSHDSACASA-N 1 2 291.351 2.423 20 10 CECDLO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(C)cc2O)n1 ZINC000876794477 650434831 /nfs/dbraw/zinc/43/48/31/650434831.db2.gz AHCICPXAZBUBPJ-NSHDSACASA-N 1 2 291.351 2.423 20 10 CECDLO C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841059272 639636600 /nfs/dbraw/zinc/63/66/00/639636600.db2.gz OYQJRYCULCYWPR-SKDRFNHKSA-N 1 2 254.761 2.133 20 10 CECDLO Cc1nc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2O)n[nH]1 ZINC000841753985 639858868 /nfs/dbraw/zinc/85/88/68/639858868.db2.gz OWGXGICWCBKZIO-QMMMGPOBSA-N 1 2 280.759 2.365 20 10 CECDLO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2O)[nH]1 ZINC000841753985 639858874 /nfs/dbraw/zinc/85/88/74/639858874.db2.gz OWGXGICWCBKZIO-QMMMGPOBSA-N 1 2 280.759 2.365 20 10 CECDLO [O-]c1c(Cl)cccc1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055049 640257754 /nfs/dbraw/zinc/25/77/54/640257754.db2.gz DYOOEIIGPSNHCH-GFCCVEGCSA-N 1 2 266.772 2.372 20 10 CECDLO [O-]c1c(Cl)cccc1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055049 640257756 /nfs/dbraw/zinc/25/77/56/640257756.db2.gz DYOOEIIGPSNHCH-GFCCVEGCSA-N 1 2 266.772 2.372 20 10 CECDLO COc1ccc2c(c1)CCN2Cc1ccc(N)[nH+]c1 ZINC000843059027 640261171 /nfs/dbraw/zinc/26/11/71/640261171.db2.gz DGHNXUXXTZTKGX-UHFFFAOYSA-N 1 2 255.321 2.235 20 10 CECDLO Cc1noc([C@@H](C)[N@H+](C)Cc2cc(F)ccc2O)n1 ZINC000848926351 642198225 /nfs/dbraw/zinc/19/82/25/642198225.db2.gz VMDNVMHVDGTZOH-MRVPVSSYSA-N 1 2 265.288 2.416 20 10 CECDLO Cc1noc([C@@H](C)[N@@H+](C)Cc2cc(F)ccc2O)n1 ZINC000848926351 642198230 /nfs/dbraw/zinc/19/82/30/642198230.db2.gz VMDNVMHVDGTZOH-MRVPVSSYSA-N 1 2 265.288 2.416 20 10 CECDLO COC1(C)C[NH+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000839103058 644149379 /nfs/dbraw/zinc/14/93/79/644149379.db2.gz VQARHJLSOXXOSH-UHFFFAOYSA-N 1 2 252.333 2.112 20 10 CECDLO Oc1c(C[NH2+][C@H]2CCCn3nccc32)ccc(F)c1F ZINC000877777955 650906950 /nfs/dbraw/zinc/90/69/50/650906950.db2.gz HIWXVUKONXIMAL-NSHDSACASA-N 1 2 279.290 2.492 20 10 CECDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(F)cc1O ZINC000756380290 644639556 /nfs/dbraw/zinc/63/95/56/644639556.db2.gz GRDCNQWIGYEZNL-BONVTDFDSA-N 1 2 288.322 2.409 20 10 CECDLO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756488211 644654468 /nfs/dbraw/zinc/65/44/68/644654468.db2.gz MAHVFNOXUOSGGL-BDAKNGLRSA-N 1 2 282.294 2.001 20 10 CECDLO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(F)cc(F)c1O ZINC000756735937 644688033 /nfs/dbraw/zinc/68/80/33/644688033.db2.gz JHKXQDRYNJWPEL-SCZZXKLOSA-N 1 2 296.317 2.084 20 10 CECDLO CC(C)N1C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1=O ZINC000756736542 644688244 /nfs/dbraw/zinc/68/82/44/644688244.db2.gz IFGVPYXYCHFSMH-KOLCDFICSA-N 1 2 298.333 2.330 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C[C@H]1CO ZINC000857061311 644806918 /nfs/dbraw/zinc/80/69/18/644806918.db2.gz OGTNMWXQUPEDFZ-PWSUYJOCSA-N 1 2 269.772 2.496 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C[C@H]1CO ZINC000857061311 644806920 /nfs/dbraw/zinc/80/69/20/644806920.db2.gz OGTNMWXQUPEDFZ-PWSUYJOCSA-N 1 2 269.772 2.496 20 10 CECDLO COC(=O)c1coc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000757836949 644849486 /nfs/dbraw/zinc/84/94/86/644849486.db2.gz MAZBSDAQAZCSIH-UHFFFAOYSA-N 1 2 287.315 2.291 20 10 CECDLO CCN(CC)c1ccc(C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000761639642 645305428 /nfs/dbraw/zinc/30/54/28/645305428.db2.gz AQMJYSIAVGBIBD-UHFFFAOYSA-N 1 2 287.411 2.293 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000761639642 645305430 /nfs/dbraw/zinc/30/54/30/645305430.db2.gz AQMJYSIAVGBIBD-UHFFFAOYSA-N 1 2 287.411 2.293 20 10 CECDLO CC[C@H]([NH2+][C@H](C)CC(N)=O)c1cccc(Cl)c1O ZINC000806143752 645695928 /nfs/dbraw/zinc/69/59/28/645695928.db2.gz OSPOTDMEKGAECI-KCJUWKMLSA-N 1 2 270.760 2.350 20 10 CECDLO COc1cc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)cc1C ZINC000768444860 646123351 /nfs/dbraw/zinc/12/33/51/646123351.db2.gz CZZZSHDNBDVIEM-PVUDRZGPSA-N 1 2 297.420 2.051 20 10 CECDLO COc1cc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c(O)cc1C ZINC000768444860 646123355 /nfs/dbraw/zinc/12/33/55/646123355.db2.gz CZZZSHDNBDVIEM-PVUDRZGPSA-N 1 2 297.420 2.051 20 10 CECDLO COc1cc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(O)cc1C ZINC000768444567 646124012 /nfs/dbraw/zinc/12/40/12/646124012.db2.gz CZZZSHDNBDVIEM-HTGLOVNISA-N 1 2 297.420 2.051 20 10 CECDLO COc1cc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)c(O)cc1C ZINC000768444567 646124014 /nfs/dbraw/zinc/12/40/14/646124014.db2.gz CZZZSHDNBDVIEM-HTGLOVNISA-N 1 2 297.420 2.051 20 10 CECDLO CC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(F)c1O ZINC000775652523 646975845 /nfs/dbraw/zinc/97/58/45/646975845.db2.gz MJBZZBFEDHGBGI-UHFFFAOYSA-N 1 2 288.750 2.095 20 10 CECDLO CC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(F)c1O ZINC000775652523 646975849 /nfs/dbraw/zinc/97/58/49/646975849.db2.gz MJBZZBFEDHGBGI-UHFFFAOYSA-N 1 2 288.750 2.095 20 10 CECDLO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cc(F)cc(F)c1O ZINC000779065406 647284687 /nfs/dbraw/zinc/28/46/87/647284687.db2.gz POLWUHLWFTZKHE-CQFDHEJISA-N 1 2 271.307 2.480 20 10 CECDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(N(C)C)c(F)c1 ZINC000781931528 647573510 /nfs/dbraw/zinc/57/35/10/647573510.db2.gz XCBBSMOXVAONEP-UHFFFAOYSA-N 1 2 291.374 2.042 20 10 CECDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(N(C)C)c(F)c1 ZINC000781931528 647573514 /nfs/dbraw/zinc/57/35/14/647573514.db2.gz XCBBSMOXVAONEP-UHFFFAOYSA-N 1 2 291.374 2.042 20 10 CECDLO C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000783603311 647736623 /nfs/dbraw/zinc/73/66/23/647736623.db2.gz YEQAVMHVYKIVMC-YUMQZZPRSA-N 1 2 261.724 2.434 20 10 CECDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1nnc2n1CCC2 ZINC000790949803 648463840 /nfs/dbraw/zinc/46/38/40/648463840.db2.gz IMGXLTHCCVNIHQ-UHFFFAOYSA-N 1 2 296.733 2.012 20 10 CECDLO CCOc1cccc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)c1O ZINC000792191866 648622229 /nfs/dbraw/zinc/62/22/29/648622229.db2.gz CZDIVCHJFPWOAH-VXGBXAGGSA-N 1 2 297.420 2.132 20 10 CECDLO Cn1cc(C[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000124731933 649730902 /nfs/dbraw/zinc/73/09/02/649730902.db2.gz WKIRMZJUYBPGEM-UHFFFAOYSA-N 1 2 251.717 2.069 20 10 CECDLO CNC(=O)C1CCC([NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882936037 652275662 /nfs/dbraw/zinc/27/56/62/652275662.db2.gz JZAJQLLPYQOOSK-UHFFFAOYSA-N 1 2 298.333 2.065 20 10 CECDLO CCC[N@H+](Cc1nnnn1C1CC1)Cc1ccccc1O ZINC000130730381 652322836 /nfs/dbraw/zinc/32/28/36/652322836.db2.gz DCHLECLSCMHPAK-UHFFFAOYSA-N 1 2 287.367 2.126 20 10 CECDLO CCC[N@@H+](Cc1nnnn1C1CC1)Cc1ccccc1O ZINC000130730381 652322840 /nfs/dbraw/zinc/32/28/40/652322840.db2.gz DCHLECLSCMHPAK-UHFFFAOYSA-N 1 2 287.367 2.126 20 10 CECDLO Cc1cc(C[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)[nH]n1 ZINC000883049580 652346445 /nfs/dbraw/zinc/34/64/45/652346445.db2.gz QDTFIRHLWNRMLV-MRVPVSSYSA-N 1 2 281.306 2.423 20 10 CECDLO Cc1cc(C[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)n[nH]1 ZINC000883049580 652346449 /nfs/dbraw/zinc/34/64/49/652346449.db2.gz QDTFIRHLWNRMLV-MRVPVSSYSA-N 1 2 281.306 2.423 20 10 CECDLO CCn1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)n1 ZINC000883145645 652377985 /nfs/dbraw/zinc/37/79/85/652377985.db2.gz IZBGXBIUPQCGQQ-UHFFFAOYSA-N 1 2 267.279 2.177 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2O)[C@H](C)CO1 ZINC001142527503 806620699 /nfs/dbraw/zinc/62/06/99/806620699.db2.gz XDIUQMPKEJYBBX-RKDXNWHRSA-N 1 2 257.280 2.280 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2O)[C@H](C)CO1 ZINC001142527503 806620700 /nfs/dbraw/zinc/62/07/00/806620700.db2.gz XDIUQMPKEJYBBX-RKDXNWHRSA-N 1 2 257.280 2.280 20 10 CECDLO Cc1c[nH]nc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000716502468 815133665 /nfs/dbraw/zinc/13/36/65/815133665.db2.gz XOXYKOHIJCGAJJ-UHFFFAOYSA-N 1 2 251.717 2.367 20 10 CECDLO Nc1ccc(Nc2ccc[nH+]c2N2CCOCC2)cc1 ZINC001212362073 808659966 /nfs/dbraw/zinc/65/99/66/808659966.db2.gz GETCZCGKKSLHPO-UHFFFAOYSA-N 1 2 270.336 2.244 20 10 CECDLO CN(C)CC1([NH2+]Cc2cc(F)cc(F)c2O)CCC1 ZINC000708394422 809928700 /nfs/dbraw/zinc/92/87/00/809928700.db2.gz ZNLMOIUWBDFDRN-UHFFFAOYSA-N 1 2 270.323 2.244 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000384957726 813126345 /nfs/dbraw/zinc/12/63/45/813126345.db2.gz RCWKPYKVBCRYOH-UFBFGSQYSA-N 1 2 283.755 2.203 20 10 CECDLO Cc1nnc(C[NH2+]Cc2c(O)cccc2Cl)s1 ZINC000391839242 813291258 /nfs/dbraw/zinc/29/12/58/813291258.db2.gz LPXSMMXBACWZFQ-UHFFFAOYSA-N 1 2 269.757 2.495 20 10 CECDLO Cc1cc(CN2CC([N@@H+]3CC[C@H](F)C3)C2)ccc1N(C)C ZINC001139673584 814637027 /nfs/dbraw/zinc/63/70/27/814637027.db2.gz UUGILAKCODGADT-HNNXBMFYSA-N 1 2 291.414 2.289 20 10 CECDLO Cc1cc(CN2CC([N@H+]3CC[C@H](F)C3)C2)ccc1N(C)C ZINC001139673584 814637031 /nfs/dbraw/zinc/63/70/31/814637031.db2.gz UUGILAKCODGADT-HNNXBMFYSA-N 1 2 291.414 2.289 20 10 CECDLO Oc1c(F)cccc1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001138128381 815733420 /nfs/dbraw/zinc/73/34/20/815733420.db2.gz GIJBAPYSXBNGKT-UHFFFAOYSA-N 1 2 282.334 2.149 20 10 CECDLO CCOC(=O)C[N@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138355168 815774994 /nfs/dbraw/zinc/77/49/94/815774994.db2.gz JYUXDUNCHKCCAC-UHFFFAOYSA-N 1 2 276.380 2.064 20 10 CECDLO CCOC(=O)C[N@@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138355168 815774998 /nfs/dbraw/zinc/77/49/98/815774998.db2.gz JYUXDUNCHKCCAC-UHFFFAOYSA-N 1 2 276.380 2.064 20 10 CECDLO CC[N@H+](Cc1ccccc1O)Cc1c(N)ncnc1Cl ZINC001139441756 816026281 /nfs/dbraw/zinc/02/62/81/816026281.db2.gz MFPDCWBDJAETHS-UHFFFAOYSA-N 1 2 292.770 2.440 20 10 CECDLO CC[N@@H+](Cc1ccccc1O)Cc1c(N)ncnc1Cl ZINC001139441756 816026289 /nfs/dbraw/zinc/02/62/89/816026289.db2.gz MFPDCWBDJAETHS-UHFFFAOYSA-N 1 2 292.770 2.440 20 10 CECDLO C[C@@]1(O)CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140462292 816260652 /nfs/dbraw/zinc/26/06/52/816260652.db2.gz DPNWBLHQFYYAOB-QWHCGFSZSA-N 1 2 273.735 2.340 20 10 CECDLO C[C@@]1(O)CC[N@@H+](Cc2ccc(Cl)cc2O)C[C@@H]1F ZINC001140462292 816260658 /nfs/dbraw/zinc/26/06/58/816260658.db2.gz DPNWBLHQFYYAOB-QWHCGFSZSA-N 1 2 273.735 2.340 20 10 CECDLO Oc1ccccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000039353605 361988910 /nfs/dbraw/zinc/98/89/10/361988910.db2.gz OSFKCEOCOBZTEK-LBPRGKRZSA-N 1 2 257.337 2.495 20 10 CECDLO Oc1ccccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000039353605 361988916 /nfs/dbraw/zinc/98/89/16/361988916.db2.gz OSFKCEOCOBZTEK-LBPRGKRZSA-N 1 2 257.337 2.495 20 10 CECDLO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000039353606 361989392 /nfs/dbraw/zinc/98/93/92/361989392.db2.gz OSFKCEOCOBZTEK-GFCCVEGCSA-N 1 2 257.337 2.495 20 10 CECDLO Oc1ccccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000039353606 361989396 /nfs/dbraw/zinc/98/93/96/361989396.db2.gz OSFKCEOCOBZTEK-GFCCVEGCSA-N 1 2 257.337 2.495 20 10 CECDLO CCOc1cccc(C[N@H+](C)Cc2nccn2C)c1O ZINC000134111741 366288446 /nfs/dbraw/zinc/28/84/46/366288446.db2.gz XWLUNLYEQCPYAS-UHFFFAOYSA-N 1 2 275.352 2.156 20 10 CECDLO CCOc1cccc(C[N@@H+](C)Cc2nccn2C)c1O ZINC000134111741 366288449 /nfs/dbraw/zinc/28/84/49/366288449.db2.gz XWLUNLYEQCPYAS-UHFFFAOYSA-N 1 2 275.352 2.156 20 10 CECDLO C[N@H+](CCn1cccn1)Cc1cccc(Cl)c1O ZINC000180222558 368373627 /nfs/dbraw/zinc/37/36/27/368373627.db2.gz NDTOIUFZNXRDDD-UHFFFAOYSA-N 1 2 265.744 2.374 20 10 CECDLO C[N@@H+](CCn1cccn1)Cc1cccc(Cl)c1O ZINC000180222558 368373630 /nfs/dbraw/zinc/37/36/30/368373630.db2.gz NDTOIUFZNXRDDD-UHFFFAOYSA-N 1 2 265.744 2.374 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H]2CCOC[C@H]21 ZINC000366495799 373071219 /nfs/dbraw/zinc/07/12/19/373071219.db2.gz HLQVSQIXWPTQQA-OCCSQVGLSA-N 1 2 283.755 2.035 20 10 CECDLO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000271732874 373200762 /nfs/dbraw/zinc/20/07/62/373200762.db2.gz NOQYLLBNJINMBZ-JTQLQIEISA-N 1 2 269.728 2.041 20 10 CECDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ncn(C)n1 ZINC000276140657 374226230 /nfs/dbraw/zinc/22/62/30/374226230.db2.gz DBEPFSIWAXEONB-MRVPVSSYSA-N 1 2 266.732 2.025 20 10 CECDLO CC[C@@H]([NH2+]Cc1cnnn1C)c1cccc(Cl)c1O ZINC000287178673 376166400 /nfs/dbraw/zinc/16/64/00/376166400.db2.gz CNQZKNFIYMZLNB-GFCCVEGCSA-N 1 2 280.759 2.415 20 10 CECDLO CN(C)C(=O)CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294133340 377915783 /nfs/dbraw/zinc/91/57/83/377915783.db2.gz HBWHAHZXDAJANQ-UHFFFAOYSA-N 1 2 288.750 2.143 20 10 CECDLO OCCCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294739753 378017765 /nfs/dbraw/zinc/01/77/65/378017765.db2.gz QSKDURNFZLYZQL-UHFFFAOYSA-N 1 2 261.724 2.437 20 10 CECDLO CC[N@H+](CC(=O)OC)Cc1cc(Cl)c(F)cc1O ZINC000295469173 378172022 /nfs/dbraw/zinc/17/20/22/378172022.db2.gz WKLBQCTZRMNNMB-UHFFFAOYSA-N 1 2 275.707 2.180 20 10 CECDLO CC[N@@H+](CC(=O)OC)Cc1cc(Cl)c(F)cc1O ZINC000295469173 378172024 /nfs/dbraw/zinc/17/20/24/378172024.db2.gz WKLBQCTZRMNNMB-UHFFFAOYSA-N 1 2 275.707 2.180 20 10 CECDLO CC[C@H]([NH2+]C[C@H]1COCCN1)c1cccc(Cl)c1O ZINC000530227847 380197435 /nfs/dbraw/zinc/19/74/35/380197435.db2.gz WIABLARZVLYOSI-GWCFXTLKSA-N 1 2 284.787 2.075 20 10 CECDLO CC(C)OC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCO1 ZINC000372123956 395034970 /nfs/dbraw/zinc/03/49/70/395034970.db2.gz GRCJXIBKOMHWRU-AWEZNQCLSA-N 1 2 283.343 2.157 20 10 CECDLO CC(C)OC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCO1 ZINC000372123956 395034973 /nfs/dbraw/zinc/03/49/73/395034973.db2.gz GRCJXIBKOMHWRU-AWEZNQCLSA-N 1 2 283.343 2.157 20 10 CECDLO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(F)c(F)c1O ZINC000276916163 263038589 /nfs/dbraw/zinc/03/85/89/263038589.db2.gz LRQWYRVTDLAYJQ-BDAKNGLRSA-N 1 2 257.280 2.358 20 10 CECDLO C[C@H]([NH2+]Cc1nccn1C)c1ccc(F)c(F)c1O ZINC000276993542 263039133 /nfs/dbraw/zinc/03/91/33/263039133.db2.gz XTUGKTCEKFANLA-QMMMGPOBSA-N 1 2 267.279 2.255 20 10 CECDLO COc1ccc(O)c([C@H](C)N2CCc3c([nH+]cn3C)C2)c1 ZINC000368878414 267209969 /nfs/dbraw/zinc/20/99/69/267209969.db2.gz CTDXIDFOJBRBSZ-NSHDSACASA-N 1 2 287.363 2.254 20 10 CECDLO Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2O)on1 ZINC000273563884 301278074 /nfs/dbraw/zinc/27/80/74/301278074.db2.gz IYUQKDICBILXRA-VIFPVBQESA-N 1 2 277.280 2.448 20 10 CECDLO Cn1ncc2c1nc[nH+]c2N1CC=C(c2cccnc2)CC1 ZINC000378613216 329056654 /nfs/dbraw/zinc/05/66/54/329056654.db2.gz WXECDHYAAUPUEF-UHFFFAOYSA-N 1 2 292.346 2.052 20 10 CECDLO CC(C)(O)C1C[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000297370238 519339615 /nfs/dbraw/zinc/33/96/15/519339615.db2.gz IKQZQSIZWFKRQT-UHFFFAOYSA-N 1 2 273.735 2.387 20 10 CECDLO CCC[N@H+](Cc1noc(C)n1)Cc1ccccc1O ZINC000068973717 521696793 /nfs/dbraw/zinc/69/67/93/521696793.db2.gz DCXWHNLDKGPMRY-UHFFFAOYSA-N 1 2 261.325 2.496 20 10 CECDLO CCC[N@@H+](Cc1noc(C)n1)Cc1ccccc1O ZINC000068973717 521696797 /nfs/dbraw/zinc/69/67/97/521696797.db2.gz DCXWHNLDKGPMRY-UHFFFAOYSA-N 1 2 261.325 2.496 20 10 CECDLO CCNC(=O)C1(C[NH2+]Cc2cccc(Cl)c2O)CCC1 ZINC000277390882 521733574 /nfs/dbraw/zinc/73/35/74/521733574.db2.gz YIJZRWHRXVWWBY-UHFFFAOYSA-N 1 2 296.798 2.442 20 10 CECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[S@](=O)C1 ZINC000277361997 524982070 /nfs/dbraw/zinc/98/20/70/524982070.db2.gz FHFZDAFSIHIBNN-MGNBDDOMSA-N 1 2 287.812 2.246 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[S@](=O)C1 ZINC000277361997 524982084 /nfs/dbraw/zinc/98/20/84/524982084.db2.gz FHFZDAFSIHIBNN-MGNBDDOMSA-N 1 2 287.812 2.246 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000280363178 525002732 /nfs/dbraw/zinc/00/27/32/525002732.db2.gz UOMJYSWZOWSSSE-ABAIWWIYSA-N 1 2 297.782 2.425 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000280363178 525002740 /nfs/dbraw/zinc/00/27/40/525002740.db2.gz UOMJYSWZOWSSSE-ABAIWWIYSA-N 1 2 297.782 2.425 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CCN1CC=CCC1 ZINC000279776745 526326464 /nfs/dbraw/zinc/32/64/64/526326464.db2.gz KYBFCQFRMOLIJP-UHFFFAOYSA-N 1 2 266.772 2.397 20 10 CECDLO Cc1nnsc1C[NH2+]Cc1cccc(Cl)c1O ZINC000292803841 526446379 /nfs/dbraw/zinc/44/63/79/526446379.db2.gz NVWJKCKMFUTALM-UHFFFAOYSA-N 1 2 269.757 2.495 20 10 CECDLO OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)CCC1(F)F ZINC000291236838 527595510 /nfs/dbraw/zinc/59/55/10/527595510.db2.gz KXHLFEINKKIOKE-JTQLQIEISA-N 1 2 291.725 2.495 20 10 CECDLO OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)CCC1(F)F ZINC000291236838 527595513 /nfs/dbraw/zinc/59/55/13/527595513.db2.gz KXHLFEINKKIOKE-JTQLQIEISA-N 1 2 291.725 2.495 20 10 CECDLO O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364997174 527612670 /nfs/dbraw/zinc/61/26/70/527612670.db2.gz WMACOUXBJVULNG-FVOPLDGLSA-N 1 2 299.330 2.198 20 10 CECDLO CCOc1ccc(O)c(C[NH2+][C@H](C)c2nc(C)no2)c1 ZINC000729684200 574490801 /nfs/dbraw/zinc/49/08/01/574490801.db2.gz LTLRCQRXLAMGJD-SECBINFHSA-N 1 2 277.324 2.333 20 10 CECDLO Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)no1 ZINC000733325726 574663997 /nfs/dbraw/zinc/66/39/97/574663997.db2.gz QZPUETIUDXKNQE-UHFFFAOYSA-N 1 2 263.316 2.478 20 10 CECDLO C[C@H]1CC[N@H+](CCNCc2c(O)cccc2Cl)C1 ZINC000744450296 575121583 /nfs/dbraw/zinc/12/15/83/575121583.db2.gz QOECRTRKBLBUHQ-NSHDSACASA-N 1 2 268.788 2.477 20 10 CECDLO C[C@H]1CC[N@@H+](CCNCc2c(O)cccc2Cl)C1 ZINC000744450296 575121584 /nfs/dbraw/zinc/12/15/84/575121584.db2.gz QOECRTRKBLBUHQ-NSHDSACASA-N 1 2 268.788 2.477 20 10 CECDLO CCOC(=O)[C@H](CC1CC1)[NH2+]Cc1cc(OC)ccc1O ZINC000753568733 575330406 /nfs/dbraw/zinc/33/04/06/575330406.db2.gz MKLBWKKVWQHYRY-AWEZNQCLSA-N 1 2 293.363 2.222 20 10 CECDLO CCOC(=O)[C@@H](CC1CC1)[NH2+]Cc1cc(F)ccc1O ZINC000753572861 575330641 /nfs/dbraw/zinc/33/06/41/575330641.db2.gz VENKITNEXHHKNE-CYBMUJFWSA-N 1 2 281.327 2.353 20 10 CECDLO COc1cc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)c(O)cc1C ZINC000160409743 631124861 /nfs/dbraw/zinc/12/48/61/631124861.db2.gz QAXFWRMQFZCMHB-GFCCVEGCSA-N 1 2 295.379 2.481 20 10 CECDLO COc1cc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)c(O)cc1C ZINC000160409743 631124864 /nfs/dbraw/zinc/12/48/64/631124864.db2.gz QAXFWRMQFZCMHB-GFCCVEGCSA-N 1 2 295.379 2.481 20 10 CECDLO CN(C)c1ccc(/C=C/C[NH+]2CC(N3CCCC3=O)C2)cc1 ZINC000897784377 631915433 /nfs/dbraw/zinc/91/54/33/631915433.db2.gz DJEWRWPVVVRSEB-HWKANZROSA-N 1 2 299.418 2.072 20 10 CECDLO Cc1cc(C[N@@H+]2CCc3c[nH]nc3C2)ccc1N(C)C ZINC000815074279 632955591 /nfs/dbraw/zinc/95/55/91/632955591.db2.gz NWTQEWZEYDKIEF-UHFFFAOYSA-N 1 2 270.380 2.342 20 10 CECDLO Cc1cc(C[N@H+]2CCc3c[nH]nc3C2)ccc1N(C)C ZINC000815074279 632955595 /nfs/dbraw/zinc/95/55/95/632955595.db2.gz NWTQEWZEYDKIEF-UHFFFAOYSA-N 1 2 270.380 2.342 20 10 CECDLO Cc1cc(C[N@@H+]2CCc3cn[nH]c3C2)ccc1N(C)C ZINC000815074279 632955597 /nfs/dbraw/zinc/95/55/97/632955597.db2.gz NWTQEWZEYDKIEF-UHFFFAOYSA-N 1 2 270.380 2.342 20 10 CECDLO Cc1cc(C[N@H+]2CCc3cn[nH]c3C2)ccc1N(C)C ZINC000815074279 632955600 /nfs/dbraw/zinc/95/56/00/632955600.db2.gz NWTQEWZEYDKIEF-UHFFFAOYSA-N 1 2 270.380 2.342 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cocn1 ZINC000816551858 633411029 /nfs/dbraw/zinc/41/10/29/633411029.db2.gz QTBNKZGHIOYRFD-UHFFFAOYSA-N 1 2 256.664 2.463 20 10 CECDLO CCCN1C[C@H](C[NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000817410354 633649613 /nfs/dbraw/zinc/64/96/13/633649613.db2.gz ATTOCLVGCGDSAG-NSHDSACASA-N 1 2 296.798 2.394 20 10 CECDLO C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cc(Cl)ccc1O ZINC000817959425 633800758 /nfs/dbraw/zinc/80/07/58/633800758.db2.gz FWPAWXKWAIFRKX-PELKAZGASA-N 1 2 254.761 2.434 20 10 CECDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824547986 635447911 /nfs/dbraw/zinc/44/79/11/635447911.db2.gz HBNPCNLPIGAOKG-GFCCVEGCSA-N 1 2 283.755 2.491 20 10 CECDLO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824547986 635447914 /nfs/dbraw/zinc/44/79/14/635447914.db2.gz HBNPCNLPIGAOKG-GFCCVEGCSA-N 1 2 283.755 2.491 20 10 CECDLO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1O ZINC000824703121 635480624 /nfs/dbraw/zinc/48/06/24/635480624.db2.gz VWLRGYZBWVJEHI-PWSUYJOCSA-N 1 2 283.755 2.477 20 10 CECDLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1O ZINC000827941113 636464914 /nfs/dbraw/zinc/46/49/14/636464914.db2.gz MNXMENAECRSRHQ-NEPJUHHUSA-N 1 2 285.347 2.029 20 10 CECDLO CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)[C@@H](C)O ZINC000834888403 637979174 /nfs/dbraw/zinc/97/91/74/637979174.db2.gz OUJUKAOTNFMWRC-RWYTXXIDSA-N 1 2 259.296 2.480 20 10 CECDLO Cc1cc(O)c(CNC[C@@H](C)[NH+](C)C)c(Cl)c1 ZINC000840889518 639573604 /nfs/dbraw/zinc/57/36/04/639573604.db2.gz HFDIOTMERNDMQS-SNVBAGLBSA-N 1 2 256.777 2.394 20 10 CECDLO CN1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000227440311 639590628 /nfs/dbraw/zinc/59/06/28/639590628.db2.gz UXDYJDZBGYHGRE-NSHDSACASA-N 1 2 299.212 2.339 20 10 CECDLO CC[C@@H](C)C[C@@H]([NH2+]Cc1ccccc1O)C(=O)OC ZINC000843416605 640420881 /nfs/dbraw/zinc/42/08/81/640420881.db2.gz VJNOLBDXQSHUCR-DGCLKSJQSA-N 1 2 265.353 2.460 20 10 CECDLO CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cccc(Cl)c1O ZINC000846192152 641217741 /nfs/dbraw/zinc/21/77/41/641217741.db2.gz FIIBALDYUBPKLV-VDDIYKPWSA-N 1 2 282.771 2.350 20 10 CECDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnsn2)c1 ZINC000846844000 641449427 /nfs/dbraw/zinc/44/94/27/641449427.db2.gz JWWVRVDKZPLIAF-MRVPVSSYSA-N 1 2 265.338 2.103 20 10 CECDLO CCOc1ccc(C[N@H+](C)Cc2nc(C)no2)c(O)c1 ZINC000848927621 642197623 /nfs/dbraw/zinc/19/76/23/642197623.db2.gz JHZZZNLFSYVBNE-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO CCOc1ccc(C[N@@H+](C)Cc2nc(C)no2)c(O)c1 ZINC000848927621 642197627 /nfs/dbraw/zinc/19/76/27/642197627.db2.gz JHZZZNLFSYVBNE-UHFFFAOYSA-N 1 2 277.324 2.114 20 10 CECDLO OC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000877668069 650842652 /nfs/dbraw/zinc/84/26/52/650842652.db2.gz UIQJYGHVHBJYJZ-WKFQBHICSA-N 1 2 259.708 2.045 20 10 CECDLO CC(C)[C@H]1CN(Cc2ccc(F)c(F)c2O)CC[N@@H+]1C ZINC000877747774 650892590 /nfs/dbraw/zinc/89/25/90/650892590.db2.gz CEFVUHQFSWIGPF-CYBMUJFWSA-N 1 2 284.350 2.442 20 10 CECDLO CC(C)[C@H]1CN(Cc2ccc(F)c(F)c2O)CC[N@H+]1C ZINC000877747774 650892592 /nfs/dbraw/zinc/89/25/92/650892592.db2.gz CEFVUHQFSWIGPF-CYBMUJFWSA-N 1 2 284.350 2.442 20 10 CECDLO CC(C)(O)C1C[NH+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000839139683 644172135 /nfs/dbraw/zinc/17/21/35/644172135.db2.gz JTOZRGPVGZHNGR-UHFFFAOYSA-N 1 2 273.735 2.387 20 10 CECDLO CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756576133 644670192 /nfs/dbraw/zinc/67/01/92/644670192.db2.gz JYDQYJQVOWMQDW-WCBMZHEXSA-N 1 2 259.296 2.482 20 10 CECDLO C[C@@H]([NH2+]CCc1ccn(C)n1)c1cc(F)cc(F)c1O ZINC000760896447 645207926 /nfs/dbraw/zinc/20/79/26/645207926.db2.gz MAKHGUZMLNGRLP-SECBINFHSA-N 1 2 281.306 2.297 20 10 CECDLO CC[C@@H]([NH2+][C@H](C)CC(N)=O)c1cccc(Cl)c1O ZINC000806143754 645695776 /nfs/dbraw/zinc/69/57/76/645695776.db2.gz OSPOTDMEKGAECI-LDYMZIIASA-N 1 2 270.760 2.350 20 10 CECDLO Cn1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000790980832 648467924 /nfs/dbraw/zinc/46/79/24/648467924.db2.gz DFWPSVYMQPDTRK-UHFFFAOYSA-N 1 2 269.707 2.208 20 10 CECDLO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000792199264 648623764 /nfs/dbraw/zinc/62/37/64/648623764.db2.gz CPULOKWYTGZIDT-MWLCHTKSSA-N 1 2 283.755 2.477 20 10 CECDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000793324073 648742981 /nfs/dbraw/zinc/74/29/81/648742981.db2.gz HTDJFRLUDFXNTH-MRVPVSSYSA-N 1 2 257.717 2.039 20 10 CECDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000793324073 648742983 /nfs/dbraw/zinc/74/29/83/648742983.db2.gz HTDJFRLUDFXNTH-MRVPVSSYSA-N 1 2 257.717 2.039 20 10 CECDLO C[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)c2ncnn21 ZINC000883165673 652385203 /nfs/dbraw/zinc/38/52/03/652385203.db2.gz JKMVINKPDROBHI-CPCISQLKSA-N 1 2 280.278 2.058 20 10 CECDLO C[N@H+](CC(=O)N1CCCC1)Cc1c(O)cccc1Cl ZINC000132705182 652548143 /nfs/dbraw/zinc/54/81/43/652548143.db2.gz PADCZAFKJQZWTN-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO COc1cc(N(CCO)c2ccc(N)cc2)cc(C)[nH+]1 ZINC001210780173 802733478 /nfs/dbraw/zinc/73/34/78/802733478.db2.gz JSTDCCXMEAOWBW-UHFFFAOYSA-N 1 2 273.336 2.111 20 10 CECDLO C[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000722381432 804403252 /nfs/dbraw/zinc/40/32/52/804403252.db2.gz CONFQYXOZPYEJV-MRVPVSSYSA-N 1 2 275.179 2.493 20 10 CECDLO CCCC[N@H+](Cc1nnc[nH]1)Cc1ccccc1O ZINC001118563031 815024559 /nfs/dbraw/zinc/02/45/59/815024559.db2.gz AHNAGPWMONVEGD-UHFFFAOYSA-N 1 2 260.341 2.313 20 10 CECDLO CCCC[N@@H+](Cc1nnc[nH]1)Cc1ccccc1O ZINC001118563031 815024566 /nfs/dbraw/zinc/02/45/66/815024566.db2.gz AHNAGPWMONVEGD-UHFFFAOYSA-N 1 2 260.341 2.313 20 10 CECDLO Oc1c(C[N@@H+]2CC[C@](O)(C3CC3)C2)ccc(F)c1F ZINC001119243976 815078620 /nfs/dbraw/zinc/07/86/20/815078620.db2.gz AIOPYSZLGSUXJO-CQSZACIVSA-N 1 2 269.291 2.017 20 10 CECDLO Oc1c(C[N@H+]2CC[C@](O)(C3CC3)C2)ccc(F)c1F ZINC001119243976 815078624 /nfs/dbraw/zinc/07/86/24/815078624.db2.gz AIOPYSZLGSUXJO-CQSZACIVSA-N 1 2 269.291 2.017 20 10 CECDLO COCC[N@H+](CCF)Cc1cccc(Cl)c1O ZINC000700404759 809308990 /nfs/dbraw/zinc/30/89/90/809308990.db2.gz VAQWLRRTBVCJRY-UHFFFAOYSA-N 1 2 261.724 2.464 20 10 CECDLO COCC[N@@H+](CCF)Cc1cccc(Cl)c1O ZINC000700404759 809308998 /nfs/dbraw/zinc/30/89/98/809308998.db2.gz VAQWLRRTBVCJRY-UHFFFAOYSA-N 1 2 261.724 2.464 20 10 CECDLO Oc1c(Br)cccc1C[NH2+]Cc1cocn1 ZINC000381600177 810556220 /nfs/dbraw/zinc/55/62/20/810556220.db2.gz NFEYLOBUFAPHIW-UHFFFAOYSA-N 1 2 283.125 2.433 20 10 CECDLO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1c(O)cccc1F ZINC001137833224 815690788 /nfs/dbraw/zinc/69/07/88/815690788.db2.gz XPDZMPCSWVRTSU-WDEREUQCSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1c(O)cccc1F ZINC001137833224 815690789 /nfs/dbraw/zinc/69/07/89/815690789.db2.gz XPDZMPCSWVRTSU-WDEREUQCSA-N 1 2 252.333 2.056 20 10 CECDLO Cc1c(C[N@@H+]2CCn3nncc3C2)c2ccccc2n1C ZINC001138258005 815756696 /nfs/dbraw/zinc/75/66/96/815756696.db2.gz HWRVCXZABUFBIJ-UHFFFAOYSA-N 1 2 281.363 2.094 20 10 CECDLO Cc1c(C[N@H+]2CCn3nncc3C2)c2ccccc2n1C ZINC001138258005 815756700 /nfs/dbraw/zinc/75/67/00/815756700.db2.gz HWRVCXZABUFBIJ-UHFFFAOYSA-N 1 2 281.363 2.094 20 10 CECDLO CCCOC1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138497952 815816986 /nfs/dbraw/zinc/81/69/86/815816986.db2.gz RZPBYAXPOMSZIO-UHFFFAOYSA-N 1 2 290.407 2.134 20 10 CECDLO C[C@]1(O)CCCC[N@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685636 816081097 /nfs/dbraw/zinc/08/10/97/816081097.db2.gz QXZHKCHEMPXCJQ-AWEZNQCLSA-N 1 2 271.307 2.407 20 10 CECDLO C[C@]1(O)CCCC[N@@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685636 816081101 /nfs/dbraw/zinc/08/11/01/816081101.db2.gz QXZHKCHEMPXCJQ-AWEZNQCLSA-N 1 2 271.307 2.407 20 10 CECDLO CC[NH+](CC)CCN(C)Cc1c(F)ccc(F)c1O ZINC001139683205 816082229 /nfs/dbraw/zinc/08/22/29/816082229.db2.gz BQXWHXAHNHGQDA-UHFFFAOYSA-N 1 2 272.339 2.444 20 10 CECDLO CC[NH+](CC)CCN(C)Cc1c(O)cc(F)cc1F ZINC001140579924 816288554 /nfs/dbraw/zinc/28/85/54/816288554.db2.gz MDEJTZKTHFCZJK-UHFFFAOYSA-N 1 2 272.339 2.444 20 10 CECDLO Cc1c(O)ccc(C[N@H+](C)CC(=O)OC(C)(C)C)c1O ZINC001140743849 816339913 /nfs/dbraw/zinc/33/99/13/816339913.db2.gz BIEHZMSHVMGHRW-UHFFFAOYSA-N 1 2 281.352 2.180 20 10 CECDLO Cc1c(O)ccc(C[N@@H+](C)CC(=O)OC(C)(C)C)c1O ZINC001140743849 816339921 /nfs/dbraw/zinc/33/99/21/816339921.db2.gz BIEHZMSHVMGHRW-UHFFFAOYSA-N 1 2 281.352 2.180 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]C1CCC(O)CC1 ZINC000123515502 365638050 /nfs/dbraw/zinc/63/80/50/365638050.db2.gz IRJLCBVTOLYMRL-UHFFFAOYSA-N 1 2 255.745 2.439 20 10 CECDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1cc(F)ccc1O ZINC000083513812 363777327 /nfs/dbraw/zinc/77/73/27/363777327.db2.gz BMIJAMJPPRRHIC-LBPRGKRZSA-N 1 2 269.316 2.209 20 10 CECDLO CCOC(=O)C[N@H+](Cc1cc(C)ccc1O)C1CC1 ZINC000091773151 364073037 /nfs/dbraw/zinc/07/30/37/364073037.db2.gz BVMPRXFQPNHWFA-UHFFFAOYSA-N 1 2 263.337 2.228 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1cc(C)ccc1O)C1CC1 ZINC000091773151 364073045 /nfs/dbraw/zinc/07/30/45/364073045.db2.gz BVMPRXFQPNHWFA-UHFFFAOYSA-N 1 2 263.337 2.228 20 10 CECDLO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000272257962 291326749 /nfs/dbraw/zinc/32/67/49/291326749.db2.gz JOTAOAVCPPHZFV-LBPRGKRZSA-N 1 2 267.300 2.059 20 10 CECDLO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000272257962 291326750 /nfs/dbraw/zinc/32/67/50/291326750.db2.gz JOTAOAVCPPHZFV-LBPRGKRZSA-N 1 2 267.300 2.059 20 10 CECDLO COC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(Cl)c1O ZINC000179774033 368350862 /nfs/dbraw/zinc/35/08/62/368350862.db2.gz LEHBJWQPPCENGG-VIFPVBQESA-N 1 2 271.744 2.287 20 10 CECDLO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000179774033 368350866 /nfs/dbraw/zinc/35/08/66/368350866.db2.gz LEHBJWQPPCENGG-VIFPVBQESA-N 1 2 271.744 2.287 20 10 CECDLO CC(=O)N(C)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000179877446 368354904 /nfs/dbraw/zinc/35/49/04/368354904.db2.gz XJNAMAIIRLVLOP-UHFFFAOYSA-N 1 2 296.798 2.488 20 10 CECDLO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(F)c(F)c1O ZINC000276877347 296117121 /nfs/dbraw/zinc/11/71/21/296117121.db2.gz FPTRWMOEZXSFAK-SECBINFHSA-N 1 2 298.333 2.367 20 10 CECDLO C[C@@H]([NH2+]CCOCC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000276650226 296125936 /nfs/dbraw/zinc/12/59/36/296125936.db2.gz MJECVUBKJNYMIE-MRVPVSSYSA-N 1 2 290.266 2.233 20 10 CECDLO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187707437 369207033 /nfs/dbraw/zinc/20/70/33/369207033.db2.gz BSOQFDXMXDRJKB-AMIZOPFISA-N 1 2 259.296 2.482 20 10 CECDLO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000191215716 369690877 /nfs/dbraw/zinc/69/08/77/369690877.db2.gz LGBCUAJWWZPKDL-QMMMGPOBSA-N 1 2 267.279 2.255 20 10 CECDLO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(F)c(F)c1O ZINC000191215728 369691139 /nfs/dbraw/zinc/69/11/39/369691139.db2.gz LGBCUAJWWZPKDL-MRVPVSSYSA-N 1 2 267.279 2.255 20 10 CECDLO CCOc1cccc(C[N@@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000271175574 373163037 /nfs/dbraw/zinc/16/30/37/373163037.db2.gz FUUNDNFJQPIYJU-PVUDRZGPSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1cccc(C[N@H+]2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000271175574 373163038 /nfs/dbraw/zinc/16/30/38/373163038.db2.gz FUUNDNFJQPIYJU-PVUDRZGPSA-N 1 2 297.420 2.132 20 10 CECDLO Oc1c(F)cccc1C[NH+]1CCN(Cc2ccco2)CC1 ZINC000272346185 373441435 /nfs/dbraw/zinc/44/14/35/373441435.db2.gz ZPFSGYUUDMLOMJ-UHFFFAOYSA-N 1 2 290.338 2.442 20 10 CECDLO Oc1c(F)cccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000272346185 373441443 /nfs/dbraw/zinc/44/14/43/373441443.db2.gz ZPFSGYUUDMLOMJ-UHFFFAOYSA-N 1 2 290.338 2.442 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000375340971 374652414 /nfs/dbraw/zinc/65/24/14/374652414.db2.gz LFBYVEZLHLOTEC-HNNXBMFYSA-N 1 2 293.338 2.345 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000375340971 374652426 /nfs/dbraw/zinc/65/24/26/374652426.db2.gz LFBYVEZLHLOTEC-HNNXBMFYSA-N 1 2 293.338 2.345 20 10 CECDLO Cc1cc(Cl)cc(C[N@@H+]2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000282861561 375597487 /nfs/dbraw/zinc/59/74/87/375597487.db2.gz XHGYKMOKJUJJCT-JTQLQIEISA-N 1 2 282.771 2.017 20 10 CECDLO Cc1cc(Cl)cc(C[N@H+]2CC(=O)N(C)[C@@H](C)C2)c1O ZINC000282861561 375597489 /nfs/dbraw/zinc/59/74/89/375597489.db2.gz XHGYKMOKJUJJCT-JTQLQIEISA-N 1 2 282.771 2.017 20 10 CECDLO Cc1noc(C(C)(C)[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000283897726 375778394 /nfs/dbraw/zinc/77/83/94/375778394.db2.gz HTKGDFOQIDVSAN-UHFFFAOYSA-N 1 2 274.368 2.469 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294718646 378016279 /nfs/dbraw/zinc/01/62/79/378016279.db2.gz ATGAAPHBOUTEHP-DTORHVGOSA-N 1 2 262.136 2.312 20 10 CECDLO C[C@@H](O)CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294743676 378017623 /nfs/dbraw/zinc/01/76/23/378017623.db2.gz QYLFCQZTRWFQBX-MRVPVSSYSA-N 1 2 261.724 2.435 20 10 CECDLO COCc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)no1 ZINC000298519193 378753771 /nfs/dbraw/zinc/75/37/71/378753771.db2.gz RHTUABYGWXXZFM-UHFFFAOYSA-N 1 2 293.342 2.316 20 10 CECDLO Cc1cc(N(C)Cc2ccc(N(C)C)cc2)nc[nH+]1 ZINC000301222869 379222315 /nfs/dbraw/zinc/22/23/15/379222315.db2.gz BPYLUZRYPQDYMU-UHFFFAOYSA-N 1 2 256.353 2.487 20 10 CECDLO CC(C)NC(=O)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000133384592 394950131 /nfs/dbraw/zinc/95/01/31/394950131.db2.gz ACFHZMLSMXYTOC-UHFFFAOYSA-N 1 2 270.760 2.002 20 10 CECDLO C[C@H]1CC[S@](=O)CC[N@@H+]1Cc1cccc(Cl)c1O ZINC000373018851 395051837 /nfs/dbraw/zinc/05/18/37/395051837.db2.gz MDDXSFSSJXANQY-YPMLDQLKSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H]1CC[S@](=O)CC[N@H+]1Cc1cccc(Cl)c1O ZINC000373018851 395051839 /nfs/dbraw/zinc/05/18/39/395051839.db2.gz MDDXSFSSJXANQY-YPMLDQLKSA-N 1 2 287.812 2.389 20 10 CECDLO Cc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c(O)c1O ZINC000373311382 395058403 /nfs/dbraw/zinc/05/84/03/395058403.db2.gz PZAQWKLVDAOFME-NSHDSACASA-N 1 2 287.319 2.107 20 10 CECDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363253 260094899 /nfs/dbraw/zinc/09/48/99/260094899.db2.gz DYIXGQCOHBMSTC-AWEZNQCLSA-N 1 2 277.364 2.299 20 10 CECDLO C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)c2ccccc2O1 ZINC000493591915 262199671 /nfs/dbraw/zinc/19/96/71/262199671.db2.gz QUXYEVZQKBZQSX-XUIVZRPNSA-N 1 2 269.304 2.237 20 10 CECDLO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187723524 292659092 /nfs/dbraw/zinc/65/90/92/292659092.db2.gz VDMHTLGKUKIXQY-YMTOWFKASA-N 1 2 289.322 2.109 20 10 CECDLO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187827878 327860508 /nfs/dbraw/zinc/86/05/08/327860508.db2.gz GQZDNTHCVVZMME-MRVPVSSYSA-N 1 2 286.322 2.093 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1O ZINC000227156256 333277475 /nfs/dbraw/zinc/27/74/75/333277475.db2.gz HEHKYMDNPCEWQI-CABCVRRESA-N 1 2 293.338 2.487 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1O ZINC000227156256 333277476 /nfs/dbraw/zinc/27/74/76/333277476.db2.gz HEHKYMDNPCEWQI-CABCVRRESA-N 1 2 293.338 2.487 20 10 CECDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncn(C)n2)c(O)c1 ZINC000275745781 334794606 /nfs/dbraw/zinc/79/46/06/334794606.db2.gz REHAIFVPOQNDRA-QWRGUYRKSA-N 1 2 260.341 2.241 20 10 CECDLO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2O)C1=O ZINC000187784431 519690235 /nfs/dbraw/zinc/69/02/35/519690235.db2.gz VREDKPUJCTVFGL-SKDRFNHKSA-N 1 2 298.333 2.330 20 10 CECDLO CCOCc1nc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)no1 ZINC000290836886 520216197 /nfs/dbraw/zinc/21/61/97/520216197.db2.gz IAGIOFPFPJKPTG-LLVKDONJSA-N 1 2 291.351 2.471 20 10 CECDLO C[C@@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCOC1=O ZINC000289902712 525873739 /nfs/dbraw/zinc/87/37/39/525873739.db2.gz UDKFRQHEWIYZKW-QGZVFWFLSA-N 1 2 288.391 2.472 20 10 CECDLO COC(=O)C[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000732526047 574622830 /nfs/dbraw/zinc/62/28/30/574622830.db2.gz YGYSOMUNOSCHLY-UHFFFAOYSA-N 1 2 295.379 2.303 20 10 CECDLO COC(=O)C[N@@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000732526047 574622831 /nfs/dbraw/zinc/62/28/31/574622831.db2.gz YGYSOMUNOSCHLY-UHFFFAOYSA-N 1 2 295.379 2.303 20 10 CECDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC000779199527 623398048 /nfs/dbraw/zinc/39/80/48/623398048.db2.gz CZLGFXCKJHLAOM-QPUJVOFHSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@H]1O ZINC000779199527 623398053 /nfs/dbraw/zinc/39/80/53/623398053.db2.gz CZLGFXCKJHLAOM-QPUJVOFHSA-N 1 2 273.735 2.387 20 10 CECDLO Cc1cc(O)c(C[NH2+]Cc2nc(N(C)C)no2)c(Cl)c1 ZINC000840937064 628754807 /nfs/dbraw/zinc/75/48/07/628754807.db2.gz GESZRAJDJDBPLJ-UHFFFAOYSA-N 1 2 296.758 2.093 20 10 CECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@H]1CCC[C@@H]1O ZINC000894090001 629119325 /nfs/dbraw/zinc/11/93/25/629119325.db2.gz YUWOIXQRYGQAGZ-RNCFNFMXSA-N 1 2 271.307 2.263 20 10 CECDLO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@H]1CCC[C@@H]1O ZINC000894090001 629119329 /nfs/dbraw/zinc/11/93/29/629119329.db2.gz YUWOIXQRYGQAGZ-RNCFNFMXSA-N 1 2 271.307 2.263 20 10 CECDLO C[N@@H+](Cc1cc(F)cc(F)c1O)C[C@H]1CCC[C@H]1O ZINC000894089997 629119349 /nfs/dbraw/zinc/11/93/49/629119349.db2.gz YUWOIXQRYGQAGZ-NOZJJQNGSA-N 1 2 271.307 2.263 20 10 CECDLO C[N@H+](Cc1cc(F)cc(F)c1O)C[C@H]1CCC[C@H]1O ZINC000894089997 629119352 /nfs/dbraw/zinc/11/93/52/629119352.db2.gz YUWOIXQRYGQAGZ-NOZJJQNGSA-N 1 2 271.307 2.263 20 10 CECDLO CC1=NO[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000895306934 630094024 /nfs/dbraw/zinc/09/40/24/630094024.db2.gz LDPQULFQBNAARS-SNVBAGLBSA-N 1 2 272.707 2.439 20 10 CECDLO CCn1cnc2c1CC[N@H+](Cc1cccc(OC)c1O)C2 ZINC000897336340 631138187 /nfs/dbraw/zinc/13/81/87/631138187.db2.gz FKEXLNBGJIAQFK-UHFFFAOYSA-N 1 2 287.363 2.176 20 10 CECDLO CCn1cnc2c1CC[N@@H+](Cc1cccc(OC)c1O)C2 ZINC000897336340 631138195 /nfs/dbraw/zinc/13/81/95/631138195.db2.gz FKEXLNBGJIAQFK-UHFFFAOYSA-N 1 2 287.363 2.176 20 10 CECDLO CCC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)C(=O)OC ZINC000897835448 631936883 /nfs/dbraw/zinc/93/68/83/631936883.db2.gz GLENQJWXFSZOIR-CYBMUJFWSA-N 1 2 265.353 2.440 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(Cl)c1 ZINC000898187915 632101413 /nfs/dbraw/zinc/10/14/13/632101413.db2.gz JGYUBWLXTUJALV-VXGBXAGGSA-N 1 2 273.735 2.259 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)c(Cl)c1 ZINC000898187915 632101416 /nfs/dbraw/zinc/10/14/16/632101416.db2.gz JGYUBWLXTUJALV-VXGBXAGGSA-N 1 2 273.735 2.259 20 10 CECDLO C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(F)cc(F)c1O ZINC000815639774 633041678 /nfs/dbraw/zinc/04/16/78/633041678.db2.gz GWFIPQKFHXCFLF-VIFPVBQESA-N 1 2 296.321 2.082 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000816574451 633415548 /nfs/dbraw/zinc/41/55/48/633415548.db2.gz ICMKLEVMFKYMCG-SNVBAGLBSA-N 1 2 296.733 2.223 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000816574451 633415551 /nfs/dbraw/zinc/41/55/51/633415551.db2.gz ICMKLEVMFKYMCG-SNVBAGLBSA-N 1 2 296.733 2.223 20 10 CECDLO CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817959609 633801328 /nfs/dbraw/zinc/80/13/28/633801328.db2.gz DIXCFWLTUAJYIB-QWHCGFSZSA-N 1 2 252.333 2.309 20 10 CECDLO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000825104036 635570359 /nfs/dbraw/zinc/57/03/59/635570359.db2.gz LBTNIOLBFQVRNM-RDDDGLTNSA-N 1 2 259.708 2.140 20 10 CECDLO C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000825104036 635570364 /nfs/dbraw/zinc/57/03/64/635570364.db2.gz LBTNIOLBFQVRNM-RDDDGLTNSA-N 1 2 259.708 2.140 20 10 CECDLO CCOc1cccc(C[N@H+](C)Cc2cnc[nH]2)c1O ZINC000826768791 635840987 /nfs/dbraw/zinc/84/09/87/635840987.db2.gz DZFOHPLQNBZWIG-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO CCOc1cccc(C[N@@H+](C)Cc2cnc[nH]2)c1O ZINC000826768791 635840988 /nfs/dbraw/zinc/84/09/88/635840988.db2.gz DZFOHPLQNBZWIG-UHFFFAOYSA-N 1 2 261.325 2.146 20 10 CECDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)c2ncnn21 ZINC000826888590 635872599 /nfs/dbraw/zinc/87/25/99/635872599.db2.gz IWSBJGTVOUHZMX-LDYMZIIASA-N 1 2 278.743 2.433 20 10 CECDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1O ZINC000827955892 636470154 /nfs/dbraw/zinc/47/01/54/636470154.db2.gz GJGYJQCABRGYIL-YUSALJHKSA-N 1 2 271.320 2.096 20 10 CECDLO C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1O ZINC000827955892 636470155 /nfs/dbraw/zinc/47/01/55/636470155.db2.gz GJGYJQCABRGYIL-YUSALJHKSA-N 1 2 271.320 2.096 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025771 638028904 /nfs/dbraw/zinc/02/89/04/638028904.db2.gz NIAYNBGCVUVDPL-LEXSJLIMSA-N 1 2 288.391 2.403 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025771 638028907 /nfs/dbraw/zinc/02/89/07/638028907.db2.gz NIAYNBGCVUVDPL-LEXSJLIMSA-N 1 2 288.391 2.403 20 10 CECDLO C[C@@H]1c2nncn2CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835050954 638039691 /nfs/dbraw/zinc/03/96/91/638039691.db2.gz UGWHANUYIITNFI-ISZGNANSSA-N 1 2 297.406 2.434 20 10 CECDLO C[C@@H]1c2nncn2CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835050954 638039695 /nfs/dbraw/zinc/03/96/95/638039695.db2.gz UGWHANUYIITNFI-ISZGNANSSA-N 1 2 297.406 2.434 20 10 CECDLO COC(=O)[C@H](COC(C)C)[N@H+](C)Cc1c(C)cccc1O ZINC000876810688 650441467 /nfs/dbraw/zinc/44/14/67/650441467.db2.gz BYTOMLHQTXHIAJ-AWEZNQCLSA-N 1 2 295.379 2.099 20 10 CECDLO COC(=O)[C@H](COC(C)C)[N@@H+](C)Cc1c(C)cccc1O ZINC000876810688 650441469 /nfs/dbraw/zinc/44/14/69/650441469.db2.gz BYTOMLHQTXHIAJ-AWEZNQCLSA-N 1 2 295.379 2.099 20 10 CECDLO C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841059269 639637015 /nfs/dbraw/zinc/63/70/15/639637015.db2.gz OYQJRYCULCYWPR-BXKDBHETSA-N 1 2 254.761 2.133 20 10 CECDLO C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057671 640259482 /nfs/dbraw/zinc/25/94/82/640259482.db2.gz QNWRQSALDOKRMO-BDAKNGLRSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057671 640259485 /nfs/dbraw/zinc/25/94/85/640259485.db2.gz QNWRQSALDOKRMO-BDAKNGLRSA-N 1 2 272.751 2.354 20 10 CECDLO CCN1C[C@H](C[NH2+]Cc2cccc(Cl)c2O)CC1=O ZINC000846097242 641180763 /nfs/dbraw/zinc/18/07/63/641180763.db2.gz OHVYPAZWDRYYDA-JTQLQIEISA-N 1 2 282.771 2.004 20 10 CECDLO C[C@H](CCO)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000846112659 641187338 /nfs/dbraw/zinc/18/73/38/641187338.db2.gz WHQIZLTYCPMQPG-MRVPVSSYSA-N 1 2 261.724 2.387 20 10 CECDLO C[C@H](CCO)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000846112659 641187342 /nfs/dbraw/zinc/18/73/42/641187342.db2.gz WHQIZLTYCPMQPG-MRVPVSSYSA-N 1 2 261.724 2.387 20 10 CECDLO C[C@@H]([NH2+]Cc1cnsn1)c1ccc(N(C)C)cc1 ZINC000846861210 641458161 /nfs/dbraw/zinc/45/81/61/641458161.db2.gz PBLNBOFVBKGQTK-SNVBAGLBSA-N 1 2 262.382 2.455 20 10 CECDLO Cn1c(C[N@H+](C)Cc2ccccc2O)nnc1C1CCC1 ZINC000181461618 641555247 /nfs/dbraw/zinc/55/52/47/641555247.db2.gz RBXSMIRQRFWGKO-UHFFFAOYSA-N 1 2 286.379 2.420 20 10 CECDLO Cn1c(C[N@@H+](C)Cc2ccccc2O)nnc1C1CCC1 ZINC000181461618 641555251 /nfs/dbraw/zinc/55/52/51/641555251.db2.gz RBXSMIRQRFWGKO-UHFFFAOYSA-N 1 2 286.379 2.420 20 10 CECDLO C[C@H](O)C[N@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000848928969 642199089 /nfs/dbraw/zinc/19/90/89/642199089.db2.gz QNLSPRNSRGQDOT-VIFPVBQESA-N 1 2 255.745 2.391 20 10 CECDLO C[C@H](O)C[N@@H+](Cc1cccc(Cl)c1O)C1CC1 ZINC000848928969 642199092 /nfs/dbraw/zinc/19/90/92/642199092.db2.gz QNLSPRNSRGQDOT-VIFPVBQESA-N 1 2 255.745 2.391 20 10 CECDLO C[C@@H](CCO)C[NH2+]Cc1cccc(Br)c1O ZINC000085126113 642375356 /nfs/dbraw/zinc/37/53/56/642375356.db2.gz NENOQYVYXOKUGY-VIFPVBQESA-N 1 2 288.185 2.263 20 10 CECDLO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1cc(F)cc(F)c1O ZINC000850487977 642729885 /nfs/dbraw/zinc/72/98/85/642729885.db2.gz KLBXBWVDYLJFSW-AMIZOPFISA-N 1 2 271.307 2.482 20 10 CECDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000839170895 644179605 /nfs/dbraw/zinc/17/96/05/644179605.db2.gz RKFCBTJIGPUBAA-UHFFFAOYSA-N 1 2 286.379 2.327 20 10 CECDLO OC[C@@H]1CSCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000877779871 650907532 /nfs/dbraw/zinc/90/75/32/650907532.db2.gz GUTXJNXJHQMXEY-MRVPVSSYSA-N 1 2 291.775 2.094 20 10 CECDLO OC[C@@H]1CSCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000877779871 650907535 /nfs/dbraw/zinc/90/75/35/650907535.db2.gz GUTXJNXJHQMXEY-MRVPVSSYSA-N 1 2 291.775 2.094 20 10 CECDLO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(F)cc(F)c1O ZINC000756359992 644635566 /nfs/dbraw/zinc/63/55/66/644635566.db2.gz CYQNSDIOJAZFOM-JTQLQIEISA-N 1 2 298.333 2.334 20 10 CECDLO C[N@H+](Cc1cccc(Cl)c1O)CC1(O)CCC1 ZINC000761220193 645257771 /nfs/dbraw/zinc/25/77/71/645257771.db2.gz VYPDRZMPPTZELF-UHFFFAOYSA-N 1 2 255.745 2.392 20 10 CECDLO C[N@@H+](Cc1cccc(Cl)c1O)CC1(O)CCC1 ZINC000761220193 645257774 /nfs/dbraw/zinc/25/77/74/645257774.db2.gz VYPDRZMPPTZELF-UHFFFAOYSA-N 1 2 255.745 2.392 20 10 CECDLO COC(=O)c1coc([C@@H](C)[N@H+](C)Cc2ccccc2O)n1 ZINC000878242145 651043442 /nfs/dbraw/zinc/04/34/42/651043442.db2.gz NGUZABDJHHCVAB-SNVBAGLBSA-N 1 2 290.319 2.360 20 10 CECDLO COC(=O)c1coc([C@@H](C)[N@@H+](C)Cc2ccccc2O)n1 ZINC000878242145 651043446 /nfs/dbraw/zinc/04/34/46/651043446.db2.gz NGUZABDJHHCVAB-SNVBAGLBSA-N 1 2 290.319 2.360 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCc3c[nH]nc3C2)cc1 ZINC000769469474 646273891 /nfs/dbraw/zinc/27/38/91/646273891.db2.gz YTINJEQJGXJKFZ-UHFFFAOYSA-N 1 2 256.353 2.034 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCc3c[nH]nc3C2)cc1 ZINC000769469474 646273892 /nfs/dbraw/zinc/27/38/92/646273892.db2.gz YTINJEQJGXJKFZ-UHFFFAOYSA-N 1 2 256.353 2.034 20 10 CECDLO Cc1nonc1C[NH2+]Cc1c(O)cccc1Br ZINC000862367615 646417656 /nfs/dbraw/zinc/41/76/56/646417656.db2.gz PEYCPPXJOYZQHY-UHFFFAOYSA-N 1 2 298.140 2.136 20 10 CECDLO Oc1ccc(Cl)cc1C[NH+]1CC2(C1)CCCO2 ZINC000862484541 646476020 /nfs/dbraw/zinc/47/60/20/646476020.db2.gz UCBMNXZIUREHCE-UHFFFAOYSA-N 1 2 253.729 2.410 20 10 CECDLO CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000862540379 646488090 /nfs/dbraw/zinc/48/80/90/646488090.db2.gz DRICHSGOKDKHBA-MGCOHNPYSA-N 1 2 259.708 2.452 20 10 CECDLO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[NH2+]1 ZINC000863484980 646740100 /nfs/dbraw/zinc/74/01/00/646740100.db2.gz QYBXZOCMPDWUHV-LDYMZIIASA-N 1 2 299.758 2.184 20 10 CECDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1cccc(C)c1O ZINC000775741368 646985903 /nfs/dbraw/zinc/98/59/03/646985903.db2.gz ODVPPQVSGGZNSL-CQSZACIVSA-N 1 2 295.379 2.099 20 10 CECDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1cccc(C)c1O ZINC000775741368 646985905 /nfs/dbraw/zinc/98/59/05/646985905.db2.gz ODVPPQVSGGZNSL-CQSZACIVSA-N 1 2 295.379 2.099 20 10 CECDLO CC(C)N1C(=O)C[N@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000779019906 647282284 /nfs/dbraw/zinc/28/22/84/647282284.db2.gz NZRWXSDGRPPBMG-UHFFFAOYSA-N 1 2 294.370 2.363 20 10 CECDLO CC(C)N1C(=O)C[N@@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000779019906 647282286 /nfs/dbraw/zinc/28/22/86/647282286.db2.gz NZRWXSDGRPPBMG-UHFFFAOYSA-N 1 2 294.370 2.363 20 10 CECDLO O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc2[nH+]ccn2c1 ZINC000779518504 647328815 /nfs/dbraw/zinc/32/88/15/647328815.db2.gz YNOOYWRSRCXMDG-KXFIGUGUSA-N 1 2 295.298 2.397 20 10 CECDLO COc1ccc(C[NH2+][C@@H](C)c2nnnn2C2CC2)cc1C ZINC000790537461 648428226 /nfs/dbraw/zinc/42/82/26/648428226.db2.gz HIWMJWJOSMWRRS-NSHDSACASA-N 1 2 287.367 2.176 20 10 CECDLO C[N@H+](CC(=O)N1CCCC1)Cc1cccc(Cl)c1O ZINC000124520737 649680860 /nfs/dbraw/zinc/68/08/60/649680860.db2.gz JBGOKMXNVWZXCQ-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO C[N@@H+](CC(=O)N1CCCC1)Cc1cccc(Cl)c1O ZINC000124520737 649680863 /nfs/dbraw/zinc/68/08/63/649680863.db2.gz JBGOKMXNVWZXCQ-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000124806592 649745970 /nfs/dbraw/zinc/74/59/70/649745970.db2.gz JEPWHSMMPZHSPY-NSHDSACASA-N 1 2 266.772 2.372 20 10 CECDLO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1O ZINC000883039256 652339944 /nfs/dbraw/zinc/33/99/44/652339944.db2.gz IVIGNEBABPVJEX-LKFCYVNXSA-N 1 2 282.334 2.243 20 10 CECDLO CCOc1ccc(CNc2cc(CO)cc[nH+]2)c(O)c1 ZINC000883147934 652379030 /nfs/dbraw/zinc/37/90/30/652379030.db2.gz NZIRRXCYTKVENA-UHFFFAOYSA-N 1 2 274.320 2.290 20 10 CECDLO C[C@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@]1(C)O ZINC001140582366 803177671 /nfs/dbraw/zinc/17/76/71/803177671.db2.gz HBWWBBJBUDHFDN-XPTSAGLGSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@]1(C)O ZINC001140582366 803177677 /nfs/dbraw/zinc/17/76/77/803177677.db2.gz HBWWBBJBUDHFDN-XPTSAGLGSA-N 1 2 271.307 2.263 20 10 CECDLO Oc1ccccc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001203550388 808673061 /nfs/dbraw/zinc/67/30/61/808673061.db2.gz UHTSOCPYKMOACE-RYUDHWBXSA-N 1 2 293.260 2.229 20 10 CECDLO Oc1ccccc1C[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001203550388 808673064 /nfs/dbraw/zinc/67/30/64/808673064.db2.gz UHTSOCPYKMOACE-RYUDHWBXSA-N 1 2 293.260 2.229 20 10 CECDLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)C(=O)NC(C)(C)C ZINC000700764955 809352127 /nfs/dbraw/zinc/35/21/27/809352127.db2.gz NNTJXQLQILJXKK-MRVPVSSYSA-N 1 2 286.322 2.063 20 10 CECDLO C[S@@](=O)C1(C[NH2+]Cc2ccc(F)c(F)c2O)CCC1 ZINC000703307077 809641230 /nfs/dbraw/zinc/64/12/30/809641230.db2.gz FQMBUVRYGFQDDI-LJQANCHMSA-N 1 2 289.347 2.061 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001137839628 809855388 /nfs/dbraw/zinc/85/53/88/809855388.db2.gz FXRUWZUQJHKGQU-MRXNPFEDSA-N 1 2 288.322 2.500 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001137839628 809855391 /nfs/dbraw/zinc/85/53/91/809855391.db2.gz FXRUWZUQJHKGQU-MRXNPFEDSA-N 1 2 288.322 2.500 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000384957721 813125584 /nfs/dbraw/zinc/12/55/84/813125584.db2.gz RCWKPYKVBCRYOH-PRHODGIISA-N 1 2 283.755 2.203 20 10 CECDLO N#CN1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138222217 815750713 /nfs/dbraw/zinc/75/07/13/815750713.db2.gz MGMPUCUJBXYBBQ-UHFFFAOYSA-N 1 2 284.407 2.276 20 10 CECDLO Oc1c(F)ccc(F)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001139683594 816081930 /nfs/dbraw/zinc/08/19/30/816081930.db2.gz NUZLYINBRSNYGC-NSHDSACASA-N 1 2 282.334 2.341 20 10 CECDLO COC[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685650 816081977 /nfs/dbraw/zinc/08/19/77/816081977.db2.gz RLINUBUTTAIFIY-VIFPVBQESA-N 1 2 257.280 2.139 20 10 CECDLO COC[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2O)C1 ZINC001139685650 816081982 /nfs/dbraw/zinc/08/19/82/816081982.db2.gz RLINUBUTTAIFIY-VIFPVBQESA-N 1 2 257.280 2.139 20 10 CECDLO C[C@@H]1CN(Cc2c(F)ccc(F)c2O)C[C@H](C)[N@H+]1C ZINC001139686358 816083713 /nfs/dbraw/zinc/08/37/13/816083713.db2.gz VVSXNGFUJYIIGX-AOOOYVTPSA-N 1 2 270.323 2.195 20 10 CECDLO C[C@@H]1CN(Cc2c(F)ccc(F)c2O)C[C@H](C)[N@@H+]1C ZINC001139686358 816083715 /nfs/dbraw/zinc/08/37/15/816083715.db2.gz VVSXNGFUJYIIGX-AOOOYVTPSA-N 1 2 270.323 2.195 20 10 CECDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140465231 816259709 /nfs/dbraw/zinc/25/97/09/816259709.db2.gz IZUPWQOXYSULQG-QMMMGPOBSA-N 1 2 257.717 2.039 20 10 CECDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001140465231 816259714 /nfs/dbraw/zinc/25/97/14/816259714.db2.gz IZUPWQOXYSULQG-QMMMGPOBSA-N 1 2 257.717 2.039 20 10 CECDLO CC(C)[NH+]1CCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140579840 816289207 /nfs/dbraw/zinc/28/92/07/816289207.db2.gz IZCHBYQNVUGGNT-UHFFFAOYSA-N 1 2 270.323 2.196 20 10 CECDLO COC[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583029 816290194 /nfs/dbraw/zinc/29/01/94/816290194.db2.gz UIPDXIBVAMLCSV-VIFPVBQESA-N 1 2 257.280 2.139 20 10 CECDLO COC[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583029 816290198 /nfs/dbraw/zinc/29/01/98/816290198.db2.gz UIPDXIBVAMLCSV-VIFPVBQESA-N 1 2 257.280 2.139 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582788 816291730 /nfs/dbraw/zinc/29/17/30/816291730.db2.gz MXYQRPMOFGSVPE-RNCFNFMXSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@@H]1O ZINC001140582788 816291737 /nfs/dbraw/zinc/29/17/37/816291737.db2.gz MXYQRPMOFGSVPE-RNCFNFMXSA-N 1 2 271.307 2.263 20 10 CECDLO Cc1ccc(O)c(C[NH+]2CC3(C2)CC(F)(F)CO3)c1 ZINC001140623551 816306874 /nfs/dbraw/zinc/30/68/74/816306874.db2.gz UUQIKYPNYHYOTB-UHFFFAOYSA-N 1 2 269.291 2.311 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(Cl)c1 ZINC001140923830 816411130 /nfs/dbraw/zinc/41/11/30/816411130.db2.gz ITBSZSQGRXQCGY-CQSZACIVSA-N 1 2 295.814 2.246 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)c(Cl)c1 ZINC001140923830 816411131 /nfs/dbraw/zinc/41/11/31/816411131.db2.gz ITBSZSQGRXQCGY-CQSZACIVSA-N 1 2 295.814 2.246 20 10 CECDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(O)ccc1O ZINC001141160790 816492066 /nfs/dbraw/zinc/49/20/66/816492066.db2.gz IRYTUZQOHLVGIN-JTQLQIEISA-N 1 2 281.352 2.260 20 10 CECDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(O)ccc1O ZINC001141160790 816492073 /nfs/dbraw/zinc/49/20/73/816492073.db2.gz IRYTUZQOHLVGIN-JTQLQIEISA-N 1 2 281.352 2.260 20 10 CECDLO Cc1cc(C)c(CNC(=O)[C@@H](C)n2cc[nH+]c2)c(O)c1 ZINC001177929763 816649439 /nfs/dbraw/zinc/64/94/39/816649439.db2.gz QUZLWYIOSWDSTB-GFCCVEGCSA-N 1 2 273.336 2.083 20 10 CECDLO O=C1C[N@@H+](Cc2c(O)cccc2Cl)[C@H]2CCCC[C@@H]2N1 ZINC000123603349 365639922 /nfs/dbraw/zinc/63/99/22/365639922.db2.gz YJKLWJILSXKQAQ-STQMWFEESA-N 1 2 294.782 2.289 20 10 CECDLO O=C1C[N@H+](Cc2c(O)cccc2Cl)[C@H]2CCCC[C@@H]2N1 ZINC000123603349 365639930 /nfs/dbraw/zinc/63/99/30/365639930.db2.gz YJKLWJILSXKQAQ-STQMWFEESA-N 1 2 294.782 2.289 20 10 CECDLO COC(=O)[C@H](CC(C)C)[NH2+]Cc1ccccc1O ZINC000036980433 361878595 /nfs/dbraw/zinc/87/85/95/361878595.db2.gz FHNMRIPJJUJRBT-LBPRGKRZSA-N 1 2 251.326 2.070 20 10 CECDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn[nH]c2C)c1 ZINC000038011146 361979501 /nfs/dbraw/zinc/97/95/01/361979501.db2.gz KOWAWBLDQHRUTP-JTQLQIEISA-N 1 2 261.325 2.283 20 10 CECDLO CC[C@H]([NH2+]Cc1ncn(C)n1)c1ccc(N(C)C)cc1 ZINC000090969744 364067117 /nfs/dbraw/zinc/06/71/17/364067117.db2.gz UQSCOTPBLRGUFD-AWEZNQCLSA-N 1 2 273.384 2.122 20 10 CECDLO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ncn(C)n2)cc1 ZINC000090970132 364068649 /nfs/dbraw/zinc/06/86/49/364068649.db2.gz ZPHVFBDWVCNTCX-GFCCVEGCSA-N 1 2 273.384 2.122 20 10 CECDLO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1O ZINC000187792176 369224079 /nfs/dbraw/zinc/22/40/79/369224079.db2.gz HWIKALZSQHLJEG-RKDXNWHRSA-N 1 2 296.317 2.084 20 10 CECDLO CCOC(=O)[C@@H]([NH2+]Cc1ccccc1O)[C@@H](C)CC ZINC000187863462 369239814 /nfs/dbraw/zinc/23/98/14/369239814.db2.gz DEDJBZWAOAFMOE-FZMZJTMJSA-N 1 2 265.353 2.460 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000187985895 369270735 /nfs/dbraw/zinc/27/07/35/369270735.db2.gz VLIWGFPBZJPGGH-ONGXEEELSA-N 1 2 255.745 2.296 20 10 CECDLO COC[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H](C)O1 ZINC000188360555 369343114 /nfs/dbraw/zinc/34/31/14/369343114.db2.gz OMNPVGSSDCLINV-CMPLNLGQSA-N 1 2 285.771 2.281 20 10 CECDLO COC[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H](C)O1 ZINC000188360555 369343120 /nfs/dbraw/zinc/34/31/20/369343120.db2.gz OMNPVGSSDCLINV-CMPLNLGQSA-N 1 2 285.771 2.281 20 10 CECDLO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)[C@@H]1CO ZINC000191179873 369688299 /nfs/dbraw/zinc/68/82/99/369688299.db2.gz HGRYPUCGNJFJLF-BXKDBHETSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)[C@@H]1CO ZINC000191179873 369688303 /nfs/dbraw/zinc/68/83/03/369688303.db2.gz HGRYPUCGNJFJLF-BXKDBHETSA-N 1 2 255.745 2.248 20 10 CECDLO C[C@H]([NH2+]Cc1ccnn1C)c1ccc(F)c(F)c1O ZINC000191200212 369689366 /nfs/dbraw/zinc/68/93/66/369689366.db2.gz QIHNNKNANPNAHA-QMMMGPOBSA-N 1 2 267.279 2.255 20 10 CECDLO CCOC(=O)[C@H](C)[N@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000191714626 369735940 /nfs/dbraw/zinc/73/59/40/369735940.db2.gz YSWGCAGYAWOWEU-NSHDSACASA-N 1 2 293.363 2.317 20 10 CECDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000191714626 369735943 /nfs/dbraw/zinc/73/59/43/369735943.db2.gz YSWGCAGYAWOWEU-NSHDSACASA-N 1 2 293.363 2.317 20 10 CECDLO Cc1cc(NC(=O)NCc2ccc3c(c2)CCN3C)cc[nH+]1 ZINC000364536873 372748924 /nfs/dbraw/zinc/74/89/24/372748924.db2.gz WSGBPWDZXNEYKV-UHFFFAOYSA-N 1 2 296.374 2.126 20 10 CECDLO CN(C)c1ccc(C[N@H+](C)Cc2nccn2C)cc1F ZINC000272820919 373667810 /nfs/dbraw/zinc/66/78/10/373667810.db2.gz OOYGMNOOLOAPLK-UHFFFAOYSA-N 1 2 276.359 2.257 20 10 CECDLO CN(C)c1ccc(C[N@@H+](C)Cc2nccn2C)cc1F ZINC000272820919 373667816 /nfs/dbraw/zinc/66/78/16/373667816.db2.gz OOYGMNOOLOAPLK-UHFFFAOYSA-N 1 2 276.359 2.257 20 10 CECDLO CCOC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374323837 374542045 /nfs/dbraw/zinc/54/20/45/374542045.db2.gz JQOWKRPIGUTBSY-CYBMUJFWSA-N 1 2 288.391 2.403 20 10 CECDLO CCOC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374323837 374542053 /nfs/dbraw/zinc/54/20/53/374542053.db2.gz JQOWKRPIGUTBSY-CYBMUJFWSA-N 1 2 288.391 2.403 20 10 CECDLO CN(C)c1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1F ZINC000294702822 378014315 /nfs/dbraw/zinc/01/43/15/378014315.db2.gz DBGSFEVEZBKEMW-UHFFFAOYSA-N 1 2 289.358 2.177 20 10 CECDLO O=C(CCC[NH2+]Cc1cccc(Cl)c1O)NC1CC1 ZINC000124708761 394840352 /nfs/dbraw/zinc/84/03/52/394840352.db2.gz IEXBTTYPPLCRLC-UHFFFAOYSA-N 1 2 282.771 2.194 20 10 CECDLO COC(=O)[C@@H](CC(C)C)[NH2+]Cc1cccc(F)c1O ZINC000158701341 395052469 /nfs/dbraw/zinc/05/24/69/395052469.db2.gz HSKIRHLPWOHTDC-GFCCVEGCSA-N 1 2 269.316 2.209 20 10 CECDLO Cc1nnc(C[N@H+]2CC=C(c3ccc(N(C)C)cc3)C2)n1C ZINC000373129058 395055113 /nfs/dbraw/zinc/05/51/13/395055113.db2.gz XIHKWKZLPYNXKU-UHFFFAOYSA-N 1 2 297.406 2.089 20 10 CECDLO Cc1nnc(C[N@@H+]2CC=C(c3ccc(N(C)C)cc3)C2)n1C ZINC000373129058 395055118 /nfs/dbraw/zinc/05/51/18/395055118.db2.gz XIHKWKZLPYNXKU-UHFFFAOYSA-N 1 2 297.406 2.089 20 10 CECDLO CC(C)(CCO)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293641960 395245255 /nfs/dbraw/zinc/24/52/55/395245255.db2.gz NYXFWIVJLLJPMS-UHFFFAOYSA-N 1 2 261.724 2.435 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H](C)[S@]1=O ZINC000289678369 287200374 /nfs/dbraw/zinc/20/03/74/287200374.db2.gz NVPUNPQTVMJWEV-VARDARPISA-N 1 2 285.384 2.263 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H](C)[S@]1=O ZINC000289678369 287200375 /nfs/dbraw/zinc/20/03/75/287200375.db2.gz NVPUNPQTVMJWEV-VARDARPISA-N 1 2 285.384 2.263 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2ccc(F)cc21 ZINC000492901968 262247496 /nfs/dbraw/zinc/24/74/96/262247496.db2.gz PVANOPXWLRMMJK-ONEGZZNKSA-N 1 2 257.268 2.151 20 10 CECDLO OC[C@@]1(F)CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000367689405 267109834 /nfs/dbraw/zinc/10/98/34/267109834.db2.gz VAWWBFVNZUGPRM-CYBMUJFWSA-N 1 2 291.725 2.481 20 10 CECDLO OC[C@@]1(F)CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000367689405 267109838 /nfs/dbraw/zinc/10/98/38/267109838.db2.gz VAWWBFVNZUGPRM-CYBMUJFWSA-N 1 2 291.725 2.481 20 10 CECDLO CCCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)OC)c(O)c1 ZINC000280748203 328236445 /nfs/dbraw/zinc/23/64/45/328236445.db2.gz DPOCVMUBOCGEFX-NSHDSACASA-N 1 2 281.352 2.174 20 10 CECDLO CCCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)OC)c(O)c1 ZINC000280748203 328236446 /nfs/dbraw/zinc/23/64/46/328236446.db2.gz DPOCVMUBOCGEFX-NSHDSACASA-N 1 2 281.352 2.174 20 10 CECDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@](C)(O)C2)c1O ZINC000177371189 329183532 /nfs/dbraw/zinc/18/35/32/329183532.db2.gz SQFQIBHCRJEUSL-AWEZNQCLSA-N 1 2 283.755 2.205 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cnccn2)c1O ZINC000079438606 518284052 /nfs/dbraw/zinc/28/40/52/518284052.db2.gz KZEMYLVKONWKGK-UHFFFAOYSA-N 1 2 289.310 2.156 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2cnccn2)c1O ZINC000079438606 518284061 /nfs/dbraw/zinc/28/40/61/518284061.db2.gz KZEMYLVKONWKGK-UHFFFAOYSA-N 1 2 289.310 2.156 20 10 CECDLO CC1(C)C[N@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC000280379347 520482858 /nfs/dbraw/zinc/48/28/58/520482858.db2.gz FFGFTUMHNLVSEJ-NSHDSACASA-N 1 2 255.745 2.248 20 10 CECDLO CC1(C)C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H]1O ZINC000280379347 520482864 /nfs/dbraw/zinc/48/28/64/520482864.db2.gz FFGFTUMHNLVSEJ-NSHDSACASA-N 1 2 255.745 2.248 20 10 CECDLO CCOc1nnc(C[N@H+](C)Cc2ccccc2O)s1 ZINC000264575380 521627149 /nfs/dbraw/zinc/62/71/49/521627149.db2.gz ANNMKWPGXGLTHN-UHFFFAOYSA-N 1 2 279.365 2.274 20 10 CECDLO CCOc1nnc(C[N@@H+](C)Cc2ccccc2O)s1 ZINC000264575380 521627156 /nfs/dbraw/zinc/62/71/56/521627156.db2.gz ANNMKWPGXGLTHN-UHFFFAOYSA-N 1 2 279.365 2.274 20 10 CECDLO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[S@](=O)C1 ZINC000277362010 524608896 /nfs/dbraw/zinc/60/88/96/524608896.db2.gz FHFZDAFSIHIBNN-YPMLDQLKSA-N 1 2 287.812 2.246 20 10 CECDLO C[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[S@](=O)C1 ZINC000277362010 524608904 /nfs/dbraw/zinc/60/89/04/524608904.db2.gz FHFZDAFSIHIBNN-YPMLDQLKSA-N 1 2 287.812 2.246 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000280363180 525005039 /nfs/dbraw/zinc/00/50/39/525005039.db2.gz UOMJYSWZOWSSSE-IAQYHMDHSA-N 1 2 297.782 2.425 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@]2(CCOC2)O1 ZINC000280363180 525005044 /nfs/dbraw/zinc/00/50/44/525005044.db2.gz UOMJYSWZOWSSSE-IAQYHMDHSA-N 1 2 297.782 2.425 20 10 CECDLO Cc1ncccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1O ZINC000728774444 574469299 /nfs/dbraw/zinc/46/92/99/574469299.db2.gz BPXSCFXDFSTBLH-UHFFFAOYSA-N 1 2 273.292 2.294 20 10 CECDLO Cc1ccn2cc(CNC(=O)C3=CC(=O)CS3)[nH+]c2c1 ZINC000731870011 574604529 /nfs/dbraw/zinc/60/45/29/574604529.db2.gz HQMVPXCMWGSRPP-UHFFFAOYSA-N 1 2 287.344 2.340 20 10 CECDLO CCc1cc(NCc2cccc(OC)c2O)nc[nH+]1 ZINC000733191641 574657358 /nfs/dbraw/zinc/65/73/58/574657358.db2.gz ZKZZHVFIMSUSFA-UHFFFAOYSA-N 1 2 259.309 2.365 20 10 CECDLO C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC000779199528 623398223 /nfs/dbraw/zinc/39/82/23/623398223.db2.gz CZLGFXCKJHLAOM-UFBFGSQYSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC[C@@H]1O ZINC000779199528 623398228 /nfs/dbraw/zinc/39/82/28/623398228.db2.gz CZLGFXCKJHLAOM-UFBFGSQYSA-N 1 2 273.735 2.387 20 10 CECDLO CN(Cc1cc(F)cc(F)c1O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000894003499 629083568 /nfs/dbraw/zinc/08/35/68/629083568.db2.gz LTSKINZNXPDJIB-CYBMUJFWSA-N 1 2 282.334 2.339 20 10 CECDLO CN(Cc1cc(F)cc(F)c1O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000894003499 629083569 /nfs/dbraw/zinc/08/35/69/629083569.db2.gz LTSKINZNXPDJIB-CYBMUJFWSA-N 1 2 282.334 2.339 20 10 CECDLO O=c1[nH]ccc2c1C[N@@H+](Cc1cc(F)cc(F)c1O)CC2 ZINC000894563707 629532569 /nfs/dbraw/zinc/53/25/69/629532569.db2.gz UVCOYQZQWWZDHE-UHFFFAOYSA-N 1 2 292.285 2.329 20 10 CECDLO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@@]2(CCOC2)O1 ZINC000894629671 629565563 /nfs/dbraw/zinc/56/55/63/629565563.db2.gz MCJNWNWTFJDRBZ-ZUZCIYMTSA-N 1 2 299.317 2.050 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@@]2(CCOC2)O1 ZINC000894629671 629565567 /nfs/dbraw/zinc/56/55/67/629565567.db2.gz MCJNWNWTFJDRBZ-ZUZCIYMTSA-N 1 2 299.317 2.050 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896385289 630549243 /nfs/dbraw/zinc/54/92/43/630549243.db2.gz GADCWVSSYHDCTQ-LLVKDONJSA-N 1 2 283.755 2.240 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896385289 630549245 /nfs/dbraw/zinc/54/92/45/630549245.db2.gz GADCWVSSYHDCTQ-LLVKDONJSA-N 1 2 283.755 2.240 20 10 CECDLO CCOCCOCC[NH2+]Cc1cccc(Cl)c1O ZINC000897203723 630988355 /nfs/dbraw/zinc/98/83/55/630988355.db2.gz COGKUTALBYNGEP-UHFFFAOYSA-N 1 2 273.760 2.188 20 10 CECDLO COc1nn(C)cc1C[NH2+]Cc1cccc(Cl)c1O ZINC000898029028 632023717 /nfs/dbraw/zinc/02/37/17/632023717.db2.gz CWTQRJFOTYMJET-UHFFFAOYSA-N 1 2 281.743 2.078 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCOC12CCOCC2 ZINC000898114808 632055905 /nfs/dbraw/zinc/05/59/05/632055905.db2.gz BHJGYURQEUUFNF-ZDUSSCGKSA-N 1 2 297.782 2.473 20 10 CECDLO COCC[C@H](COC)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000810257265 632200398 /nfs/dbraw/zinc/20/03/98/632200398.db2.gz OUGOYVOVYPCUMN-GXSJLCMTSA-N 1 2 289.322 2.373 20 10 CECDLO C[N@H+](Cc1cnc[nH]1)Cc1cc(Cl)ccc1O ZINC000826769455 635842141 /nfs/dbraw/zinc/84/21/41/635842141.db2.gz NFQZLPBXLSHUGJ-UHFFFAOYSA-N 1 2 251.717 2.401 20 10 CECDLO C[N@@H+](Cc1cnc[nH]1)Cc1cc(Cl)ccc1O ZINC000826769455 635842145 /nfs/dbraw/zinc/84/21/45/635842145.db2.gz NFQZLPBXLSHUGJ-UHFFFAOYSA-N 1 2 251.717 2.401 20 10 CECDLO C[N@H+](Cc1c[nH]cn1)Cc1cc(Cl)ccc1O ZINC000826769455 635842151 /nfs/dbraw/zinc/84/21/51/635842151.db2.gz NFQZLPBXLSHUGJ-UHFFFAOYSA-N 1 2 251.717 2.401 20 10 CECDLO C[N@@H+](Cc1c[nH]cn1)Cc1cc(Cl)ccc1O ZINC000826769455 635842153 /nfs/dbraw/zinc/84/21/53/635842153.db2.gz NFQZLPBXLSHUGJ-UHFFFAOYSA-N 1 2 251.717 2.401 20 10 CECDLO CN1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816537690 633409327 /nfs/dbraw/zinc/40/93/27/633409327.db2.gz OIRFGOOHSAGTDJ-SNVBAGLBSA-N 1 2 272.751 2.369 20 10 CECDLO COC(=O)C1(C)C[NH+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000822529284 634938114 /nfs/dbraw/zinc/93/81/14/634938114.db2.gz BWMJZDAFQNBJFE-UHFFFAOYSA-N 1 2 287.718 2.180 20 10 CECDLO COC(=O)C1(C)C[NH+](Cc2cccc(Cl)c2O)C1 ZINC000822534745 634938962 /nfs/dbraw/zinc/93/89/62/634938962.db2.gz VUTUXMSUJMAXHJ-UHFFFAOYSA-N 1 2 269.728 2.041 20 10 CECDLO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cc(F)cc(F)c1O ZINC000903301542 635049157 /nfs/dbraw/zinc/04/91/57/635049157.db2.gz RGXXCPKLGSMFBO-RVBZMBCESA-N 1 2 270.323 2.414 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000825240576 635597335 /nfs/dbraw/zinc/59/73/35/635597335.db2.gz MTMBVKKRYUYHBB-GFCCVEGCSA-N 1 2 273.735 2.435 20 10 CECDLO C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1O ZINC000827963782 636472482 /nfs/dbraw/zinc/47/24/82/636472482.db2.gz AKKQJODCOYJFJW-NWDGAFQWSA-N 1 2 285.347 2.029 20 10 CECDLO C[C@@H]([NH2+]CCc1cn(C)cn1)c1cc(F)cc(F)c1O ZINC000840765734 639539124 /nfs/dbraw/zinc/53/91/24/639539124.db2.gz HZGUKHZZKQASSM-SECBINFHSA-N 1 2 281.306 2.297 20 10 CECDLO Oc1c(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)ccc(F)c1F ZINC000877093220 650569218 /nfs/dbraw/zinc/56/92/18/650569218.db2.gz GEJGBVFYUVLAIN-ZFWWWQNUSA-N 1 2 291.297 2.418 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846110280 641185523 /nfs/dbraw/zinc/18/55/23/641185523.db2.gz XSMANXQRFUYMHA-AWEZNQCLSA-N 1 2 285.771 2.067 20 10 CECDLO COc1c(O)c(C[N@@H+]2CCC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000846119961 641192268 /nfs/dbraw/zinc/19/22/68/641192268.db2.gz LKBNEDHZMNROKY-SNVBAGLBSA-N 1 2 284.287 2.243 20 10 CECDLO COc1c(O)c(C[N@H+]2CCC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000846119961 641192280 /nfs/dbraw/zinc/19/22/80/641192280.db2.gz LKBNEDHZMNROKY-SNVBAGLBSA-N 1 2 284.287 2.243 20 10 CECDLO COc1cc(C)cc(C[N@H+](C)Cc2nc(C)no2)c1O ZINC000848503442 642016399 /nfs/dbraw/zinc/01/63/99/642016399.db2.gz FGNAZNRNAYKPGY-UHFFFAOYSA-N 1 2 277.324 2.033 20 10 CECDLO COc1cc(C)cc(C[N@@H+](C)Cc2nc(C)no2)c1O ZINC000848503442 642016406 /nfs/dbraw/zinc/01/64/06/642016406.db2.gz FGNAZNRNAYKPGY-UHFFFAOYSA-N 1 2 277.324 2.033 20 10 CECDLO Cc1ccc(C[N@H+]2CCN(CC(C)C)C(=O)C2)c(O)c1 ZINC000877433164 650718074 /nfs/dbraw/zinc/71/80/74/650718074.db2.gz KYIXPJABPSDFDE-UHFFFAOYSA-N 1 2 276.380 2.001 20 10 CECDLO Cc1ccc(C[N@@H+]2CCN(CC(C)C)C(=O)C2)c(O)c1 ZINC000877433164 650718077 /nfs/dbraw/zinc/71/80/77/650718077.db2.gz KYIXPJABPSDFDE-UHFFFAOYSA-N 1 2 276.380 2.001 20 10 CECDLO C[C@H]([NH2+]CCCO)c1cc(Br)c(F)cc1O ZINC000134904021 642118607 /nfs/dbraw/zinc/11/86/07/642118607.db2.gz RBZCAUPMNPNJAE-ZETCQYMHSA-N 1 2 292.148 2.327 20 10 CECDLO CCc1cccc(C[NH+]2CC(OCC(F)F)C2)c1O ZINC000848916740 642189672 /nfs/dbraw/zinc/18/96/72/642189672.db2.gz MAQWIXMSAKDETR-UHFFFAOYSA-N 1 2 271.307 2.421 20 10 CECDLO COc1ccc(O)c(C[N@H+](C)[C@@H](C)c2nc(C)no2)c1 ZINC000848925953 642196271 /nfs/dbraw/zinc/19/62/71/642196271.db2.gz OETYUFRNBXOXSZ-VIFPVBQESA-N 1 2 277.324 2.285 20 10 CECDLO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2nc(C)no2)c1 ZINC000848925953 642196278 /nfs/dbraw/zinc/19/62/78/642196278.db2.gz OETYUFRNBXOXSZ-VIFPVBQESA-N 1 2 277.324 2.285 20 10 CECDLO Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877528824 650769663 /nfs/dbraw/zinc/76/96/63/650769663.db2.gz LTYSJOTVEHMMPS-NSHDSACASA-N 1 2 293.317 2.393 20 10 CECDLO Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877528824 650769666 /nfs/dbraw/zinc/76/96/66/650769666.db2.gz LTYSJOTVEHMMPS-NSHDSACASA-N 1 2 293.317 2.393 20 10 CECDLO COC1(C)C[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000839100574 644147795 /nfs/dbraw/zinc/14/77/95/644147795.db2.gz AUUBDKSZDYJNOZ-WAYWQWQTSA-N 1 2 260.381 2.487 20 10 CECDLO CC(C)(O)C1C[NH+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000839139477 644171052 /nfs/dbraw/zinc/17/10/52/644171052.db2.gz GXJFMLSNQOWSFQ-UHFFFAOYSA-N 1 2 273.735 2.387 20 10 CECDLO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ncnn1C ZINC000788983941 644248026 /nfs/dbraw/zinc/24/80/26/644248026.db2.gz PDIGLSXGYMHENW-YUMQZZPRSA-N 1 2 282.294 2.211 20 10 CECDLO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000756461834 644651760 /nfs/dbraw/zinc/65/17/60/644651760.db2.gz WGJDNMUFGHIZAG-BDAKNGLRSA-N 1 2 257.280 2.358 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(F)cc(F)c1O ZINC000756488214 644654309 /nfs/dbraw/zinc/65/43/09/644654309.db2.gz MAHVFNOXUOSGGL-DTWKUNHWSA-N 1 2 282.294 2.001 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1cc(F)cc(F)c1O ZINC000756531718 644659472 /nfs/dbraw/zinc/65/94/72/644659472.db2.gz BKZSRBIOODAJTN-SFYZADRCSA-N 1 2 282.294 2.211 20 10 CECDLO C[C@@H]([NH2+]CC(C)(C)CO)c1cc(F)cc(F)c1O ZINC000756762403 644690210 /nfs/dbraw/zinc/69/02/10/644690210.db2.gz ZMYIJZGFVORLBC-MRVPVSSYSA-N 1 2 259.296 2.340 20 10 CECDLO CC[N@H+](CCCCS(C)(=O)=O)c1ccc(OC)cc1 ZINC000759689437 645063352 /nfs/dbraw/zinc/06/33/52/645063352.db2.gz LROZJCUFERQQHP-UHFFFAOYSA-N 1 2 285.409 2.346 20 10 CECDLO CC[N@@H+](CCCCS(C)(=O)=O)c1ccc(OC)cc1 ZINC000759689437 645063356 /nfs/dbraw/zinc/06/33/56/645063356.db2.gz LROZJCUFERQQHP-UHFFFAOYSA-N 1 2 285.409 2.346 20 10 CECDLO C[C@H]1C[C@H]([NH2+]CC(F)(F)CO)c2c1c(F)ccc2O ZINC000768285117 646104096 /nfs/dbraw/zinc/10/40/96/646104096.db2.gz DVKWCTYIDNOBGG-CBAPKCEASA-N 1 2 275.270 2.297 20 10 CECDLO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000770279845 646375583 /nfs/dbraw/zinc/37/55/83/646375583.db2.gz CUQLXRNRXIKTEE-UHFFFAOYSA-N 1 2 269.728 2.183 20 10 CECDLO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000770279845 646375584 /nfs/dbraw/zinc/37/55/84/646375584.db2.gz CUQLXRNRXIKTEE-UHFFFAOYSA-N 1 2 269.728 2.183 20 10 CECDLO COc1c(O)c(CNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000774976271 646912910 /nfs/dbraw/zinc/91/29/10/646912910.db2.gz KHSXYXYRNQQASP-UHFFFAOYSA-N 1 2 275.264 2.316 20 10 CECDLO CC(C)[N@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775643208 646974928 /nfs/dbraw/zinc/97/49/28/646974928.db2.gz OPEGQFJODMGHFT-UHFFFAOYSA-N 1 2 261.724 2.387 20 10 CECDLO CC(C)[N@@H+](CCO)Cc1cc(Cl)cc(F)c1O ZINC000775643208 646974929 /nfs/dbraw/zinc/97/49/29/646974929.db2.gz OPEGQFJODMGHFT-UHFFFAOYSA-N 1 2 261.724 2.387 20 10 CECDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cccc(F)c1O ZINC000775983273 647013616 /nfs/dbraw/zinc/01/36/16/647013616.db2.gz BZEZUVMFZCQNKK-WDEREUQCSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cccc(F)c1O ZINC000775983273 647013617 /nfs/dbraw/zinc/01/36/17/647013617.db2.gz BZEZUVMFZCQNKK-WDEREUQCSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1cccc(F)c1O ZINC000775983273 647013622 /nfs/dbraw/zinc/01/36/22/647013622.db2.gz BZEZUVMFZCQNKK-WDEREUQCSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1cccc(F)c1O ZINC000775983273 647013626 /nfs/dbraw/zinc/01/36/26/647013626.db2.gz BZEZUVMFZCQNKK-WDEREUQCSA-N 1 2 252.333 2.056 20 10 CECDLO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000785807106 647958909 /nfs/dbraw/zinc/95/89/09/647958909.db2.gz YRGAKDYOXVJEIQ-SNVBAGLBSA-N 1 2 260.341 2.295 20 10 CECDLO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(F)cc(F)c1O ZINC000872126695 649285601 /nfs/dbraw/zinc/28/56/01/649285601.db2.gz OUTWVBPHLORUOG-NQMVMOMDSA-N 1 2 257.280 2.092 20 10 CECDLO Oc1c(Cl)cccc1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229660 649601207 /nfs/dbraw/zinc/60/12/07/649601207.db2.gz DJSZTBUOWGYTCR-GXTWGEPZSA-N 1 2 266.772 2.420 20 10 CECDLO OCc1cc[nH+]c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000881837133 651897643 /nfs/dbraw/zinc/89/76/43/651897643.db2.gz CHBISHPLTXGTRS-UHFFFAOYSA-N 1 2 299.374 2.023 20 10 CECDLO OCC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccco1 ZINC000883089956 652360969 /nfs/dbraw/zinc/36/09/69/652360969.db2.gz YFGFFOZGGLEEQL-LBPRGKRZSA-N 1 2 283.274 2.477 20 10 CECDLO Cc1cc(C)c(CN2CC[NH2+]CC(F)(F)C2)c(O)c1 ZINC001211345745 802813930 /nfs/dbraw/zinc/81/39/30/802813930.db2.gz DQBJPCSCAZAWQC-UHFFFAOYSA-N 1 2 270.323 2.050 20 10 CECDLO Oc1cc(Cl)ccc1C[N@@H+]1CCOC2(CC2)C1 ZINC001140464278 802945012 /nfs/dbraw/zinc/94/50/12/802945012.db2.gz JJNFHIROVLMNKD-UHFFFAOYSA-N 1 2 253.729 2.410 20 10 CECDLO Oc1cc(Cl)ccc1C[N@H+]1CCOC2(CC2)C1 ZINC001140464278 802945014 /nfs/dbraw/zinc/94/50/14/802945014.db2.gz JJNFHIROVLMNKD-UHFFFAOYSA-N 1 2 253.729 2.410 20 10 CECDLO CC1(O)CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001140582062 803178439 /nfs/dbraw/zinc/17/84/39/803178439.db2.gz BAHCNNLIYKEAEK-UHFFFAOYSA-N 1 2 257.280 2.017 20 10 CECDLO Cc1noc([C@@H]2CC[N@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140584599 803185981 /nfs/dbraw/zinc/18/59/81/803185981.db2.gz YGAAUNNKYYNJCQ-SECBINFHSA-N 1 2 295.289 2.351 20 10 CECDLO Cc1noc([C@@H]2CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)n1 ZINC001140584599 803185984 /nfs/dbraw/zinc/18/59/84/803185984.db2.gz YGAAUNNKYYNJCQ-SECBINFHSA-N 1 2 295.289 2.351 20 10 CECDLO CCN1CCC[C@H]([NH2+]Cc2cccc(Cl)c2O)C1=O ZINC000722351548 804341805 /nfs/dbraw/zinc/34/18/05/804341805.db2.gz CUXFFBUXPCXHBM-LBPRGKRZSA-N 1 2 282.771 2.146 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000708441910 809931317 /nfs/dbraw/zinc/93/13/17/809931317.db2.gz LYIOOSRHGWOMIV-MWLCHTKSSA-N 1 2 269.291 2.139 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000708441910 809931321 /nfs/dbraw/zinc/93/13/21/809931321.db2.gz LYIOOSRHGWOMIV-MWLCHTKSSA-N 1 2 269.291 2.139 20 10 CECDLO CN(c1ccc(N)cc1)c1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212671851 815466864 /nfs/dbraw/zinc/46/68/64/815466864.db2.gz YRMGPJBYFNOIPT-UHFFFAOYSA-N 1 2 283.375 2.213 20 10 CECDLO Oc1cc(O)c(C[N@@H+]2CC[C@H](CF)C(F)(F)C2)c(O)c1 ZINC001144499818 814089752 /nfs/dbraw/zinc/08/97/52/814089752.db2.gz JZDUNGKXTAXIAT-MRVPVSSYSA-N 1 2 291.269 2.230 20 10 CECDLO Oc1cc(O)c(C[N@H+]2CC[C@H](CF)C(F)(F)C2)c(O)c1 ZINC001144499818 814089760 /nfs/dbraw/zinc/08/97/60/814089760.db2.gz JZDUNGKXTAXIAT-MRVPVSSYSA-N 1 2 291.269 2.230 20 10 CECDLO O=C1CC[N@H+](Cc2c(O)cccc2F)CC[C@H]1F ZINC001137833215 815693063 /nfs/dbraw/zinc/69/30/63/815693063.db2.gz XIDCJXXIIKDSQD-LLVKDONJSA-N 1 2 255.264 2.034 20 10 CECDLO O=C1CC[N@@H+](Cc2c(O)cccc2F)CC[C@H]1F ZINC001137833215 815693067 /nfs/dbraw/zinc/69/30/67/815693067.db2.gz XIDCJXXIIKDSQD-LLVKDONJSA-N 1 2 255.264 2.034 20 10 CECDLO CN1CCC[C@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]21 ZINC001137840242 815694616 /nfs/dbraw/zinc/69/46/16/815694616.db2.gz UKTRTTVWNATNAY-FZMZJTMJSA-N 1 2 264.344 2.057 20 10 CECDLO CN1CCC[C@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]21 ZINC001137840242 815694618 /nfs/dbraw/zinc/69/46/18/815694618.db2.gz UKTRTTVWNATNAY-FZMZJTMJSA-N 1 2 264.344 2.057 20 10 CECDLO Cc1ncc(C[N@@H+](C)Cc2c(O)cccc2F)cn1 ZINC001137839521 815695230 /nfs/dbraw/zinc/69/52/30/815695230.db2.gz BHEUGAQEUQZFOU-UHFFFAOYSA-N 1 2 261.300 2.262 20 10 CECDLO Cc1ncc(C[N@H+](C)Cc2c(O)cccc2F)cn1 ZINC001137839521 815695236 /nfs/dbraw/zinc/69/52/36/815695236.db2.gz BHEUGAQEUQZFOU-UHFFFAOYSA-N 1 2 261.300 2.262 20 10 CECDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1cccc(F)c1O ZINC001138123849 815730460 /nfs/dbraw/zinc/73/04/60/815730460.db2.gz OCDVXPKZWJJKFG-XHDPSFHLSA-N 1 2 279.311 2.059 20 10 CECDLO CCOC(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1cccc(F)c1O ZINC001138123849 815730464 /nfs/dbraw/zinc/73/04/64/815730464.db2.gz OCDVXPKZWJJKFG-XHDPSFHLSA-N 1 2 279.311 2.059 20 10 CECDLO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC001138129466 815734367 /nfs/dbraw/zinc/73/43/67/815734367.db2.gz FEDDLTYPCDDDJC-ZDUSSCGKSA-N 1 2 251.301 2.475 20 10 CECDLO CC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC001138129466 815734371 /nfs/dbraw/zinc/73/43/71/815734371.db2.gz FEDDLTYPCDDDJC-ZDUSSCGKSA-N 1 2 251.301 2.475 20 10 CECDLO C[N@H+](C1CC1)[C@@H]1CCN(Cc2c(F)ccc(F)c2O)C1 ZINC001139686593 816083801 /nfs/dbraw/zinc/08/38/01/816083801.db2.gz BWQZUZVNGITOBN-LLVKDONJSA-N 1 2 282.334 2.339 20 10 CECDLO C[N@@H+](C1CC1)[C@@H]1CCN(Cc2c(F)ccc(F)c2O)C1 ZINC001139686593 816083808 /nfs/dbraw/zinc/08/38/08/816083808.db2.gz BWQZUZVNGITOBN-LLVKDONJSA-N 1 2 282.334 2.339 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001140583482 816292871 /nfs/dbraw/zinc/29/28/71/816292871.db2.gz IQSXOINLLIFQMK-LLVKDONJSA-N 1 2 294.305 2.099 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001140583482 816292876 /nfs/dbraw/zinc/29/28/76/816292876.db2.gz IQSXOINLLIFQMK-LLVKDONJSA-N 1 2 294.305 2.099 20 10 CECDLO C[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)CCC1=O ZINC001142508881 816677205 /nfs/dbraw/zinc/67/72/05/816677205.db2.gz OTUPBLLWNWBAAB-VIFPVBQESA-N 1 2 269.291 2.471 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)CCC1=O ZINC001142508881 816677210 /nfs/dbraw/zinc/67/72/10/816677210.db2.gz OTUPBLLWNWBAAB-VIFPVBQESA-N 1 2 269.291 2.471 20 10 CECDLO C[N@H+](Cc1ccno1)Cc1cc(F)c(F)cc1O ZINC001142531259 816680465 /nfs/dbraw/zinc/68/04/65/816680465.db2.gz QOMQPDLTRCBASU-UHFFFAOYSA-N 1 2 254.236 2.290 20 10 CECDLO C[N@@H+](Cc1ccno1)Cc1cc(F)c(F)cc1O ZINC001142531259 816680470 /nfs/dbraw/zinc/68/04/70/816680470.db2.gz QOMQPDLTRCBASU-UHFFFAOYSA-N 1 2 254.236 2.290 20 10 CECDLO CC[C@@H]1COCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001142526923 816681094 /nfs/dbraw/zinc/68/10/94/816681094.db2.gz BVZRHMHORHTHKE-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO CC[C@@H]1COCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001142526923 816681097 /nfs/dbraw/zinc/68/10/97/816681097.db2.gz BVZRHMHORHTHKE-SNVBAGLBSA-N 1 2 257.280 2.281 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CC1(O)CCCC1 ZINC000124819571 365661496 /nfs/dbraw/zinc/66/14/96/365661496.db2.gz DJPPNWVRCACDJB-UHFFFAOYSA-N 1 2 255.745 2.440 20 10 CECDLO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000036795147 361859921 /nfs/dbraw/zinc/85/99/21/361859921.db2.gz WIBOBQZNISJXFX-SSDOTTSWSA-N 1 2 291.178 2.313 20 10 CECDLO CN(C)C(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000037751598 361928267 /nfs/dbraw/zinc/92/82/67/361928267.db2.gz UQTTUBATEKZDLH-UHFFFAOYSA-N 1 2 291.178 2.267 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1cc(F)ccc1O)C(C)C ZINC000179949592 368360512 /nfs/dbraw/zinc/36/05/12/368360512.db2.gz GTHHIBZIDBLCQY-UHFFFAOYSA-N 1 2 269.316 2.305 20 10 CECDLO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(F)c2O)C1 ZINC000187761289 369218040 /nfs/dbraw/zinc/21/80/40/369218040.db2.gz HXFPLFGTRYUNIV-ZJUUUORDSA-N 1 2 298.333 2.332 20 10 CECDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000272234635 373375012 /nfs/dbraw/zinc/37/50/12/373375012.db2.gz FKNHJSISNLTIBC-CYBMUJFWSA-N 1 2 281.327 2.449 20 10 CECDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000272234635 373375015 /nfs/dbraw/zinc/37/50/15/373375015.db2.gz FKNHJSISNLTIBC-CYBMUJFWSA-N 1 2 281.327 2.449 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1F ZINC000275137977 374165339 /nfs/dbraw/zinc/16/53/39/374165339.db2.gz MXLSJSRCOCFOCZ-INIZCTEOSA-N 1 2 292.354 2.173 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1F ZINC000275137977 374165344 /nfs/dbraw/zinc/16/53/44/374165344.db2.gz MXLSJSRCOCFOCZ-INIZCTEOSA-N 1 2 292.354 2.173 20 10 CECDLO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000280840392 375339508 /nfs/dbraw/zinc/33/95/08/375339508.db2.gz AMUACHAAKABINP-JGVFFNPUSA-N 1 2 294.178 2.357 20 10 CECDLO CC[C@@H]([NH2+]CCc1nnc(C)[nH]1)c1ccc(F)cc1O ZINC000286035334 375847981 /nfs/dbraw/zinc/84/79/81/375847981.db2.gz JLIPEEBQLGDOJL-GFCCVEGCSA-N 1 2 278.331 2.241 20 10 CECDLO COc1nccnc1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000294115380 377910871 /nfs/dbraw/zinc/91/08/71/377910871.db2.gz DEHORFZIBQDOMP-UHFFFAOYSA-N 1 2 286.379 2.183 20 10 CECDLO COc1nccnc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000294115380 377910874 /nfs/dbraw/zinc/91/08/74/377910874.db2.gz DEHORFZIBQDOMP-UHFFFAOYSA-N 1 2 286.379 2.183 20 10 CECDLO COc1ccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)c(OC)c1 ZINC000492769418 380683186 /nfs/dbraw/zinc/68/31/86/380683186.db2.gz PTTBAJXFBVROIX-DAXSKMNVSA-N 1 2 287.319 2.103 20 10 CECDLO COCC[C@H]1COCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000291162118 285181478 /nfs/dbraw/zinc/18/14/78/285181478.db2.gz CPQMVNFMIBREGG-LBPRGKRZSA-N 1 2 285.771 2.283 20 10 CECDLO COCC[C@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000291162118 285181489 /nfs/dbraw/zinc/18/14/89/285181489.db2.gz CPQMVNFMIBREGG-LBPRGKRZSA-N 1 2 285.771 2.283 20 10 CECDLO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276003708 394809176 /nfs/dbraw/zinc/80/91/76/394809176.db2.gz AVQIDZKADIRSOF-BDAKNGLRSA-N 1 2 282.294 2.001 20 10 CECDLO O=C1NC(=S)S/C1=C/c1ccc(N2CCCC2)[nH+]c1 ZINC000176949850 395143699 /nfs/dbraw/zinc/14/36/99/395143699.db2.gz VUWQRQZDIGYKRL-JXMROGBWSA-N 1 2 291.401 2.171 20 10 CECDLO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187722844 395303779 /nfs/dbraw/zinc/30/37/79/395303779.db2.gz NFCOUHCNHADLGC-KCJUWKMLSA-N 1 2 259.296 2.338 20 10 CECDLO Cc1cc(O)c(C[NH+]2CC(OC(=O)NC(C)C)C2)cc1C ZINC000297494776 395344234 /nfs/dbraw/zinc/34/42/34/395344234.db2.gz VKCTYMXXKJAZHP-UHFFFAOYSA-N 1 2 292.379 2.328 20 10 CECDLO CN(C)c1ccc(C[N@H+](C)Cc2nccn2C)cc1 ZINC000272531189 263005982 /nfs/dbraw/zinc/00/59/82/263005982.db2.gz AQRXJKLFYLYCKV-UHFFFAOYSA-N 1 2 258.369 2.118 20 10 CECDLO CN(C)c1ccc(C[N@@H+](C)Cc2nccn2C)cc1 ZINC000272531189 263005983 /nfs/dbraw/zinc/00/59/83/263005983.db2.gz AQRXJKLFYLYCKV-UHFFFAOYSA-N 1 2 258.369 2.118 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000289885268 263112746 /nfs/dbraw/zinc/11/27/46/263112746.db2.gz WGOLXUGVJLNBAM-LLVKDONJSA-N 1 2 275.270 2.387 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCOC[C@H]1CC(F)F ZINC000289885268 263112747 /nfs/dbraw/zinc/11/27/47/263112747.db2.gz WGOLXUGVJLNBAM-LLVKDONJSA-N 1 2 275.270 2.387 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000294098038 265006661 /nfs/dbraw/zinc/00/66/61/265006661.db2.gz RXZWRWNDGBMVAV-LLVKDONJSA-N 1 2 255.745 2.392 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000294098038 265006665 /nfs/dbraw/zinc/00/66/65/265006665.db2.gz RXZWRWNDGBMVAV-LLVKDONJSA-N 1 2 255.745 2.392 20 10 CECDLO CC[C@H]([NH2+][C@H](CCO)COC)c1cccc(Cl)c1O ZINC000287740480 288084772 /nfs/dbraw/zinc/08/47/72/288084772.db2.gz PQLNGJJXAPRRGW-MFKMUULPSA-N 1 2 287.787 2.484 20 10 CECDLO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187722827 280348618 /nfs/dbraw/zinc/34/86/18/280348618.db2.gz NFCOUHCNHADLGC-LDYMZIIASA-N 1 2 259.296 2.338 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000124816180 329574172 /nfs/dbraw/zinc/57/41/72/329574172.db2.gz GYQQTCQGVWIHJC-RYUDHWBXSA-N 1 2 255.745 2.439 20 10 CECDLO Nc1ccc(CC(=O)NCCCCNc2cccc[nH+]2)cc1 ZINC000262632384 330023490 /nfs/dbraw/zinc/02/34/90/330023490.db2.gz FZGBWDVTTOYCST-UHFFFAOYSA-N 1 2 298.390 2.215 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2c1cccc2F ZINC000492772607 332412966 /nfs/dbraw/zinc/41/29/66/332412966.db2.gz UFRFYYPWYBTPKH-PLNGDYQASA-N 1 2 257.268 2.151 20 10 CECDLO CCOc1cccc(C[N@@H+]2CCn3cncc3C2)c1O ZINC000291670903 521346288 /nfs/dbraw/zinc/34/62/88/521346288.db2.gz WHPZIKUHHNAHMX-UHFFFAOYSA-N 1 2 273.336 2.003 20 10 CECDLO CCOc1cccc(C[N@H+]2CCn3cncc3C2)c1O ZINC000291670903 521346293 /nfs/dbraw/zinc/34/62/93/521346293.db2.gz WHPZIKUHHNAHMX-UHFFFAOYSA-N 1 2 273.336 2.003 20 10 CECDLO CCOc1cccc(CN2CCn3c[nH+]cc3C2)c1O ZINC000291670903 521346298 /nfs/dbraw/zinc/34/62/98/521346298.db2.gz WHPZIKUHHNAHMX-UHFFFAOYSA-N 1 2 273.336 2.003 20 10 CECDLO CN1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000211487188 523807928 /nfs/dbraw/zinc/80/79/28/523807928.db2.gz UJQXOAJVACXOCJ-UHFFFAOYSA-N 1 2 254.761 2.183 20 10 CECDLO CN1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000211487188 523807932 /nfs/dbraw/zinc/80/79/32/523807932.db2.gz UJQXOAJVACXOCJ-UHFFFAOYSA-N 1 2 254.761 2.183 20 10 CECDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1nncn1C ZINC000062746965 525660250 /nfs/dbraw/zinc/66/02/50/525660250.db2.gz XDYBETDOFFFZPI-RKDXNWHRSA-N 1 2 264.304 2.072 20 10 CECDLO CCOC(=O)[C@H](CC1CC1)[NH2+]Cc1cccc(OC)c1O ZINC000753572254 574511101 /nfs/dbraw/zinc/51/11/01/574511101.db2.gz SQQQJBDXBUHTQK-ZDUSSCGKSA-N 1 2 293.363 2.222 20 10 CECDLO C[NH+](C)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccco1 ZINC000731864485 574604123 /nfs/dbraw/zinc/60/41/23/574604123.db2.gz XXAOFMAJZROVLH-SNVBAGLBSA-N 1 2 280.349 2.079 20 10 CECDLO CC(C)[N@H+](Cc1ncnn1C)Cc1ccc(N(C)C)cc1 ZINC000750184178 575253484 /nfs/dbraw/zinc/25/34/84/575253484.db2.gz CEKNISCYCHJTTA-UHFFFAOYSA-N 1 2 287.411 2.292 20 10 CECDLO CC(C)[N@@H+](Cc1ncnn1C)Cc1ccc(N(C)C)cc1 ZINC000750184178 575253486 /nfs/dbraw/zinc/25/34/86/575253486.db2.gz CEKNISCYCHJTTA-UHFFFAOYSA-N 1 2 287.411 2.292 20 10 CECDLO COc1ccc2c(c1)CCCN2Cc1c[nH+]cn1C ZINC000751468047 575290045 /nfs/dbraw/zinc/29/00/45/575290045.db2.gz BYYRDJZVXRDIFX-UHFFFAOYSA-N 1 2 257.337 2.382 20 10 CECDLO CC[C@@H]([NH2+]CCCON)c1cccc(Cl)c1O ZINC000902414823 634664122 /nfs/dbraw/zinc/66/41/22/634664122.db2.gz DBGZKAJGBRFTOO-LLVKDONJSA-N 1 2 258.749 2.367 20 10 CECDLO COc1ccc(C[N@@H+]2CCC=C(F)C2)c(O)c1OC ZINC000893437044 628608610 /nfs/dbraw/zinc/60/86/10/628608610.db2.gz OGCIHXZXQFPYNJ-UHFFFAOYSA-N 1 2 267.300 2.469 20 10 CECDLO COc1ccc(C[N@H+]2CCC=C(F)C2)c(O)c1OC ZINC000893437044 628608612 /nfs/dbraw/zinc/60/86/12/628608612.db2.gz OGCIHXZXQFPYNJ-UHFFFAOYSA-N 1 2 267.300 2.469 20 10 CECDLO CC(=O)c1cc(F)cc(CN2CCc3[nH+]c[nH]c3C2)c1O ZINC000821270597 634671689 /nfs/dbraw/zinc/67/16/89/634671689.db2.gz MKBCIYWXTFXOGB-UHFFFAOYSA-N 1 2 289.310 2.015 20 10 CECDLO C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000894629667 629565815 /nfs/dbraw/zinc/56/58/15/629565815.db2.gz MCJNWNWTFJDRBZ-BONVTDFDSA-N 1 2 299.317 2.050 20 10 CECDLO C[C@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000894629667 629565818 /nfs/dbraw/zinc/56/58/18/629565818.db2.gz MCJNWNWTFJDRBZ-BONVTDFDSA-N 1 2 299.317 2.050 20 10 CECDLO Cc1nnc([C@H]2CC[N@H+](Cc3cc(F)cc(F)c3O)C2)[nH]1 ZINC000895013232 629795849 /nfs/dbraw/zinc/79/58/49/629795849.db2.gz YUUNRFZGDVGGCU-VIFPVBQESA-N 1 2 294.305 2.086 20 10 CECDLO Cc1nnc([C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3O)C2)[nH]1 ZINC000895013232 629795851 /nfs/dbraw/zinc/79/58/51/629795851.db2.gz YUUNRFZGDVGGCU-VIFPVBQESA-N 1 2 294.305 2.086 20 10 CECDLO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)C(F)F ZINC000793253709 629851898 /nfs/dbraw/zinc/85/18/98/629851898.db2.gz FTUOQAJIQAXTQU-UHFFFAOYSA-N 1 2 259.252 2.254 20 10 CECDLO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895274782 630072976 /nfs/dbraw/zinc/07/29/76/630072976.db2.gz KLHBWJMMZZRECR-IINYFYTJSA-N 1 2 269.291 2.139 20 10 CECDLO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(F)cc(F)c1O)C2 ZINC000895274782 630072981 /nfs/dbraw/zinc/07/29/81/630072981.db2.gz KLHBWJMMZZRECR-IINYFYTJSA-N 1 2 269.291 2.139 20 10 CECDLO COCCn1cc(C[NH2+]Cc2cccc(Cl)c2O)cn1 ZINC000800527627 631132914 /nfs/dbraw/zinc/13/29/14/631132914.db2.gz YZVLYAGZMXHZIF-UHFFFAOYSA-N 1 2 295.770 2.178 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897843754 631941260 /nfs/dbraw/zinc/94/12/60/631941260.db2.gz HWVFZMOULUYNFE-CXJYDNQRSA-N 1 2 271.719 2.188 20 10 CECDLO C[C@@H](CN(C)C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809726467 632133330 /nfs/dbraw/zinc/13/33/30/632133330.db2.gz ODYKGGWFXLZVOP-QMMMGPOBSA-N 1 2 260.740 2.224 20 10 CECDLO OC[C@@H](C[NH2+]Cc1cccc(Cl)c1O)c1cccnc1 ZINC000809778935 632144563 /nfs/dbraw/zinc/14/45/63/632144563.db2.gz YENWUQDHRJISNG-CYBMUJFWSA-N 1 2 292.766 2.306 20 10 CECDLO CC(C)NC(=O)C[N@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816482731 633397626 /nfs/dbraw/zinc/39/76/26/633397626.db2.gz QKRNMMVKINZXLM-UHFFFAOYSA-N 1 2 288.750 2.141 20 10 CECDLO CC(C)NC(=O)C[N@@H+](C)Cc1cc(Cl)c(F)cc1O ZINC000816482731 633397634 /nfs/dbraw/zinc/39/76/34/633397634.db2.gz QKRNMMVKINZXLM-UHFFFAOYSA-N 1 2 288.750 2.141 20 10 CECDLO OCCC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816575670 633415968 /nfs/dbraw/zinc/41/59/68/633415968.db2.gz VNHAWLWKPWSOMH-UHFFFAOYSA-N 1 2 273.735 2.437 20 10 CECDLO COC[C@@H]1CC[N@H+]1Cc1cccc(Br)c1O ZINC000816637056 633454153 /nfs/dbraw/zinc/45/41/53/633454153.db2.gz PTRVPCFBESWIKQ-JTQLQIEISA-N 1 2 286.169 2.375 20 10 CECDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n1 ZINC000818346951 633914142 /nfs/dbraw/zinc/91/41/42/633914142.db2.gz WKMILVREZRPDAE-QMMMGPOBSA-N 1 2 296.321 2.441 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827290904 636281893 /nfs/dbraw/zinc/28/18/93/636281893.db2.gz HYEUPZZYYJUESK-GXFFZTMASA-N 1 2 253.729 2.002 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827290904 636281897 /nfs/dbraw/zinc/28/18/97/636281897.db2.gz HYEUPZZYYJUESK-GXFFZTMASA-N 1 2 253.729 2.002 20 10 CECDLO Cn1cc(C[N@H+](C)Cc2ccc3ccccc3c2O)nn1 ZINC000827305355 636287282 /nfs/dbraw/zinc/28/72/82/636287282.db2.gz RFBDHQKZGJDUHY-UHFFFAOYSA-N 1 2 282.347 2.306 20 10 CECDLO Cn1cc(C[N@@H+](C)Cc2ccc3ccccc3c2O)nn1 ZINC000827305355 636287287 /nfs/dbraw/zinc/28/72/87/636287287.db2.gz RFBDHQKZGJDUHY-UHFFFAOYSA-N 1 2 282.347 2.306 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000827364587 636304362 /nfs/dbraw/zinc/30/43/62/636304362.db2.gz FXWURSVUEVLAMS-RYUDHWBXSA-N 1 2 267.756 2.439 20 10 CECDLO Oc1cccc(Cl)c1C[N@@H+]1CCc2nccnc2C1 ZINC000827692791 636393491 /nfs/dbraw/zinc/39/34/91/636393491.db2.gz ODKLJEBADNNXGZ-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO Oc1cccc(Cl)c1C[N@H+]1CCc2nccnc2C1 ZINC000827692791 636393494 /nfs/dbraw/zinc/39/34/94/636393494.db2.gz ODKLJEBADNNXGZ-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccccc1O ZINC000827978033 636476635 /nfs/dbraw/zinc/47/66/35/636476635.db2.gz GYFDLFQGJNIPFU-LBPRGKRZSA-N 1 2 273.336 2.246 20 10 CECDLO CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000841088365 637704239 /nfs/dbraw/zinc/70/42/39/637704239.db2.gz ZJNZWLVBBJPFMD-LLVKDONJSA-N 1 2 299.212 2.385 20 10 CECDLO CN1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1O ZINC000227440302 639590581 /nfs/dbraw/zinc/59/05/81/639590581.db2.gz UXDYJDZBGYHGRE-LLVKDONJSA-N 1 2 299.212 2.339 20 10 CECDLO CCOc1ccc(C[NH2+][C@H](CC2CC2)C(=O)OC)c(O)c1 ZINC000840958776 639601401 /nfs/dbraw/zinc/60/14/01/639601401.db2.gz SDMFBLDZBKEVFH-CQSZACIVSA-N 1 2 293.363 2.222 20 10 CECDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000841044620 639630825 /nfs/dbraw/zinc/63/08/25/639630825.db2.gz FSWWMIVXBYNODF-SECBINFHSA-N 1 2 261.152 2.151 20 10 CECDLO C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841059270 639636941 /nfs/dbraw/zinc/63/69/41/639636941.db2.gz OYQJRYCULCYWPR-CABZTGNLSA-N 1 2 254.761 2.133 20 10 CECDLO Cn1ccc(CC[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000230943474 639806483 /nfs/dbraw/zinc/80/64/83/639806483.db2.gz RPHYJICPOGXALC-UHFFFAOYSA-N 1 2 265.744 2.111 20 10 CECDLO CC[C@H](C)C[C@@H]([NH2+]Cc1ccccc1O)C(=O)OC ZINC000843416607 640420347 /nfs/dbraw/zinc/42/03/47/640420347.db2.gz VJNOLBDXQSHUCR-WCQYABFASA-N 1 2 265.353 2.460 20 10 CECDLO CN(C)c1ccc(CNC(=O)CCCn2cc[nH+]c2)cc1 ZINC000920924960 641210765 /nfs/dbraw/zinc/21/07/65/641210765.db2.gz BAHRYRSPDXTCCQ-UHFFFAOYSA-N 1 2 286.379 2.046 20 10 CECDLO CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cccc(Cl)c1O ZINC000846192151 641217331 /nfs/dbraw/zinc/21/73/31/641217331.db2.gz FIIBALDYUBPKLV-SBMIAAHKSA-N 1 2 282.771 2.350 20 10 CECDLO CCN(CC)c1ccc(C[N@H+](C)CC(=O)OC)cc1 ZINC000184741925 641898655 /nfs/dbraw/zinc/89/86/55/641898655.db2.gz IXISRUFNSKVDDN-UHFFFAOYSA-N 1 2 264.369 2.138 20 10 CECDLO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)OC)cc1 ZINC000184741925 641898671 /nfs/dbraw/zinc/89/86/71/641898671.db2.gz IXISRUFNSKVDDN-UHFFFAOYSA-N 1 2 264.369 2.138 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000877544875 650778898 /nfs/dbraw/zinc/77/88/98/650778898.db2.gz ZXQQOJLDCVPZPT-NSHDSACASA-N 1 2 279.290 2.314 20 10 CECDLO Oc1c(F)c(F)ccc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000877544875 650778899 /nfs/dbraw/zinc/77/88/99/650778899.db2.gz ZXQQOJLDCVPZPT-NSHDSACASA-N 1 2 279.290 2.314 20 10 CECDLO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1ccn(C)n1 ZINC000877585645 650801675 /nfs/dbraw/zinc/80/16/75/650801675.db2.gz LASIENJIPCWFLP-MRVPVSSYSA-N 1 2 267.279 2.255 20 10 CECDLO CCc1nnc([C@H](C)[N@H+](C)Cc2ccccc2O)[nH]1 ZINC000851841718 643187002 /nfs/dbraw/zinc/18/70/02/643187002.db2.gz XIXJOVHDVWALKR-JTQLQIEISA-N 1 2 260.341 2.266 20 10 CECDLO CCc1nnc([C@H](C)[N@@H+](C)Cc2ccccc2O)[nH]1 ZINC000851841718 643187006 /nfs/dbraw/zinc/18/70/06/643187006.db2.gz XIXJOVHDVWALKR-JTQLQIEISA-N 1 2 260.341 2.266 20 10 CECDLO CCc1nnc([C@@H](C)[N@H+](C)Cc2ccccc2O)[nH]1 ZINC000851841719 643187503 /nfs/dbraw/zinc/18/75/03/643187503.db2.gz XIXJOVHDVWALKR-SNVBAGLBSA-N 1 2 260.341 2.266 20 10 CECDLO CCc1nnc([C@@H](C)[N@@H+](C)Cc2ccccc2O)[nH]1 ZINC000851841719 643187507 /nfs/dbraw/zinc/18/75/07/643187507.db2.gz XIXJOVHDVWALKR-SNVBAGLBSA-N 1 2 260.341 2.266 20 10 CECDLO OC[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000877780390 650907984 /nfs/dbraw/zinc/90/79/84/650907984.db2.gz OWZDNYCFRKLOIU-SECBINFHSA-N 1 2 291.775 2.094 20 10 CECDLO OC[C@@H]1CSCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000877780390 650907988 /nfs/dbraw/zinc/90/79/88/650907988.db2.gz OWZDNYCFRKLOIU-SECBINFHSA-N 1 2 291.775 2.094 20 10 CECDLO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2nnc(C)o2)c1O ZINC000755142872 644478393 /nfs/dbraw/zinc/47/83/93/644478393.db2.gz OAVAMSPBWSJBAF-SSDOTTSWSA-N 1 2 293.298 2.276 20 10 CECDLO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(F)cc(F)c1O ZINC000756533448 644660047 /nfs/dbraw/zinc/66/00/47/644660047.db2.gz HUBOOKDLNXWMJN-DTWKUNHWSA-N 1 2 258.312 2.271 20 10 CECDLO CC[C@@H](CCO)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756602974 644673765 /nfs/dbraw/zinc/67/37/65/644673765.db2.gz HGZZFQYIVPEISX-SCZZXKLOSA-N 1 2 259.296 2.482 20 10 CECDLO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756732552 644687539 /nfs/dbraw/zinc/68/75/39/644687539.db2.gz JCGCIAWPGMKELQ-ZJUUUORDSA-N 1 2 289.322 2.373 20 10 CECDLO C[C@H]([NH2+]CCCn1cncn1)c1cc(F)cc(F)c1O ZINC000756831933 644697652 /nfs/dbraw/zinc/69/76/52/644697652.db2.gz ZMSQMLKOYSXHLT-VIFPVBQESA-N 1 2 282.294 2.003 20 10 CECDLO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCn3ccnc32)cc1F ZINC000858169631 645079174 /nfs/dbraw/zinc/07/91/74/645079174.db2.gz AWYUNHJGTNXELI-CYBMUJFWSA-N 1 2 292.333 2.462 20 10 CECDLO CCC[N@H+](CC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000771935433 646573429 /nfs/dbraw/zinc/57/34/29/646573429.db2.gz PXUFRBIAWKDHCY-UHFFFAOYSA-N 1 2 282.359 2.277 20 10 CECDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000771935433 646573430 /nfs/dbraw/zinc/57/34/30/646573430.db2.gz PXUFRBIAWKDHCY-UHFFFAOYSA-N 1 2 282.359 2.277 20 10 CECDLO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cccc(F)c1O ZINC000775983272 647012900 /nfs/dbraw/zinc/01/29/00/647012900.db2.gz BZEZUVMFZCQNKK-QWRGUYRKSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1cccc(F)c1O ZINC000775983272 647012907 /nfs/dbraw/zinc/01/29/07/647012907.db2.gz BZEZUVMFZCQNKK-QWRGUYRKSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@H]1[C@H](C)[N@H+](Cc2cccc(F)c2O)CCN1C ZINC000775983272 647012910 /nfs/dbraw/zinc/01/29/10/647012910.db2.gz BZEZUVMFZCQNKK-QWRGUYRKSA-N 1 2 252.333 2.056 20 10 CECDLO C[C@H]1[C@H](C)[N@@H+](Cc2cccc(F)c2O)CCN1C ZINC000775983272 647012914 /nfs/dbraw/zinc/01/29/14/647012914.db2.gz BZEZUVMFZCQNKK-QWRGUYRKSA-N 1 2 252.333 2.056 20 10 CECDLO CCN1CC[N@H+](Cc2cc(Cl)ccc2O)C(C)(C)C1=O ZINC000779198285 647296273 /nfs/dbraw/zinc/29/62/73/647296273.db2.gz CJNGIYOLZSDISZ-UHFFFAOYSA-N 1 2 296.798 2.488 20 10 CECDLO CCN1CC[N@@H+](Cc2cc(Cl)ccc2O)C(C)(C)C1=O ZINC000779198285 647296277 /nfs/dbraw/zinc/29/62/77/647296277.db2.gz CJNGIYOLZSDISZ-UHFFFAOYSA-N 1 2 296.798 2.488 20 10 CECDLO Oc1cccnc1C[NH2+]Cc1cccc(Cl)c1O ZINC000793257915 648732467 /nfs/dbraw/zinc/73/24/67/648732467.db2.gz ZTWNFTOJRGFRPJ-UHFFFAOYSA-N 1 2 264.712 2.436 20 10 CECDLO COc1ccc(N2CC[C@H](Nc3cc(CO)cc[nH+]3)C2)cc1 ZINC000882577392 652143785 /nfs/dbraw/zinc/14/37/85/652143785.db2.gz DVOLTVBSCHATIC-AWEZNQCLSA-N 1 2 299.374 2.273 20 10 CECDLO C[C@@H]1CCN(CC[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000883026657 652331245 /nfs/dbraw/zinc/33/12/45/652331245.db2.gz AWSZGQVBZUWWGK-SNVBAGLBSA-N 1 2 270.323 2.102 20 10 CECDLO CC(C)[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1nncn1C ZINC000883117404 652367503 /nfs/dbraw/zinc/36/75/03/652367503.db2.gz YIGYDZGOVVHVIW-LBPRGKRZSA-N 1 2 296.321 2.286 20 10 CECDLO CN(CC[NH+](C)C)Cc1cccc(Br)c1O ZINC000132736647 652551759 /nfs/dbraw/zinc/55/17/59/652551759.db2.gz IFBXWASBXRTJQY-UHFFFAOYSA-N 1 2 287.201 2.148 20 10 CECDLO CO[C@H](C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715723153 814988663 /nfs/dbraw/zinc/98/86/63/814988663.db2.gz WFXOXWXGMDWPSA-SSDOTTSWSA-N 1 2 292.148 2.418 20 10 CECDLO Oc1c(C[NH+]2CC3(COC3)C2)cccc1C(F)(F)F ZINC001233415881 807403770 /nfs/dbraw/zinc/40/37/70/807403770.db2.gz MEXZPJUBBBDNPP-UHFFFAOYSA-N 1 2 273.254 2.243 20 10 CECDLO COC(=O)CC1C[NH+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236811813 808168253 /nfs/dbraw/zinc/16/82/53/808168253.db2.gz PEXZZSAVKJJKIW-UHFFFAOYSA-N 1 2 299.754 2.049 20 10 CECDLO CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1O ZINC000708516969 809943929 /nfs/dbraw/zinc/94/39/29/809943929.db2.gz LZOKCNDMOFYLRC-SNVBAGLBSA-N 1 2 272.339 2.489 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ncn(C)n1 ZINC000391879877 813291597 /nfs/dbraw/zinc/29/15/97/813291597.db2.gz VFAONPDCINIBPI-MRVPVSSYSA-N 1 2 266.732 2.025 20 10 CECDLO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(Cl)c2O)[nH]1 ZINC000392460656 813304325 /nfs/dbraw/zinc/30/43/25/813304325.db2.gz KVPXJKGKLDMBEB-SSDOTTSWSA-N 1 2 266.732 2.323 20 10 CECDLO Oc1cccc(F)c1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001137840053 815694869 /nfs/dbraw/zinc/69/48/69/815694869.db2.gz QFONIIWBIAVRFX-ZDUSSCGKSA-N 1 2 251.301 2.142 20 10 CECDLO Oc1cccc(F)c1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001137840053 815694871 /nfs/dbraw/zinc/69/48/71/815694871.db2.gz QFONIIWBIAVRFX-ZDUSSCGKSA-N 1 2 251.301 2.142 20 10 CECDLO CC[N@H+](CCCC(=O)OC)Cc1cccc(F)c1O ZINC001138122608 815731501 /nfs/dbraw/zinc/73/15/01/815731501.db2.gz PUZHYGHFXNKJOR-UHFFFAOYSA-N 1 2 269.316 2.306 20 10 CECDLO CC[N@@H+](CCCC(=O)OC)Cc1cccc(F)c1O ZINC001138122608 815731502 /nfs/dbraw/zinc/73/15/02/815731502.db2.gz PUZHYGHFXNKJOR-UHFFFAOYSA-N 1 2 269.316 2.306 20 10 CECDLO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cccc(F)c1O)C2 ZINC001138129870 815734554 /nfs/dbraw/zinc/73/45/54/815734554.db2.gz XMJQNXKWCYYXRI-FZMZJTMJSA-N 1 2 251.301 2.285 20 10 CECDLO CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1cccc(F)c1O)C2 ZINC001138129870 815734559 /nfs/dbraw/zinc/73/45/59/815734559.db2.gz XMJQNXKWCYYXRI-FZMZJTMJSA-N 1 2 251.301 2.285 20 10 CECDLO COC(=O)[C@@H]1CC[N@@H+]1Cc1c(C)n(C)c2ccccc12 ZINC001138252384 815754855 /nfs/dbraw/zinc/75/48/55/815754855.db2.gz FETJFDHKEZIAMM-HNNXBMFYSA-N 1 2 272.348 2.234 20 10 CECDLO COC(=O)[C@@H]1CC[N@H+]1Cc1c(C)n(C)c2ccccc12 ZINC001138252384 815754858 /nfs/dbraw/zinc/75/48/58/815754858.db2.gz FETJFDHKEZIAMM-HNNXBMFYSA-N 1 2 272.348 2.234 20 10 CECDLO CCOC(=O)C[N@H+](CC)Cc1ccc2c(c1)CCCN2C ZINC001138359597 815777399 /nfs/dbraw/zinc/77/73/99/815777399.db2.gz VJRUORBEIGFYNY-UHFFFAOYSA-N 1 2 290.407 2.454 20 10 CECDLO CCOC(=O)C[N@@H+](CC)Cc1ccc2c(c1)CCCN2C ZINC001138359597 815777406 /nfs/dbraw/zinc/77/74/06/815777406.db2.gz VJRUORBEIGFYNY-UHFFFAOYSA-N 1 2 290.407 2.454 20 10 CECDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)cc(F)cc1F ZINC001140583288 816290320 /nfs/dbraw/zinc/29/03/20/816290320.db2.gz CUYGHWGOFAGTGA-WPRPVWTQSA-N 1 2 257.280 2.016 20 10 CECDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140583288 816290325 /nfs/dbraw/zinc/29/03/25/816290325.db2.gz CUYGHWGOFAGTGA-WPRPVWTQSA-N 1 2 257.280 2.016 20 10 CECDLO CN(CC[NH+]1CCCC1)Cc1c(O)cc(F)cc1F ZINC001140583829 816292651 /nfs/dbraw/zinc/29/26/51/816292651.db2.gz VEGFDCBTXIUSQT-UHFFFAOYSA-N 1 2 270.323 2.198 20 10 CECDLO C[C@@H]1CO[C@@H]2C[N@H+](Cc3c(O)cc(F)cc3F)C[C@H]12 ZINC001140584508 816293585 /nfs/dbraw/zinc/29/35/85/816293585.db2.gz URIICWPOYWYGGH-PJCOJXEDSA-N 1 2 269.291 2.137 20 10 CECDLO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3c(O)cc(F)cc3F)C[C@H]12 ZINC001140584508 816293587 /nfs/dbraw/zinc/29/35/87/816293587.db2.gz URIICWPOYWYGGH-PJCOJXEDSA-N 1 2 269.291 2.137 20 10 CECDLO OCC1([NH2+]Cc2cccc(Cl)c2O)CCSCC1 ZINC000839178440 816566984 /nfs/dbraw/zinc/56/69/84/816566984.db2.gz CHLHHBZWUYURQP-UHFFFAOYSA-N 1 2 287.812 2.393 20 10 CECDLO Oc1ccccc1C[NH+]1CCN(C2CCCC2)CC1 ZINC000133877846 366264919 /nfs/dbraw/zinc/26/49/19/366264919.db2.gz DVUSJPLSBVCRAO-UHFFFAOYSA-N 1 2 260.381 2.452 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000179661135 368346806 /nfs/dbraw/zinc/34/68/06/368346806.db2.gz BSPYDBYYVPSOMT-NSHDSACASA-N 1 2 269.728 2.183 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000179661135 368346810 /nfs/dbraw/zinc/34/68/10/368346810.db2.gz BSPYDBYYVPSOMT-NSHDSACASA-N 1 2 269.728 2.183 20 10 CECDLO C[C@@H]([NH2+]CCOCC1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000273591901 296126055 /nfs/dbraw/zinc/12/60/55/296126055.db2.gz PLDADYFHHNRWMW-SNVBAGLBSA-N 1 2 280.324 2.378 20 10 CECDLO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000187723539 369211479 /nfs/dbraw/zinc/21/14/79/369211479.db2.gz VDMHTLGKUKIXQY-XPTSAGLGSA-N 1 2 289.322 2.109 20 10 CECDLO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187729662 369212797 /nfs/dbraw/zinc/21/27/97/369212797.db2.gz ZMQKZBJDJIYUDF-VHSKPIJISA-N 1 2 291.363 2.433 20 10 CECDLO CCOC(=O)[C@@H]([NH2+]Cc1ccccc1O)[C@H](C)CC ZINC000187863436 369239276 /nfs/dbraw/zinc/23/92/76/369239276.db2.gz DEDJBZWAOAFMOE-RISCZKNCSA-N 1 2 265.353 2.460 20 10 CECDLO C[N@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccccc1O ZINC000191253445 369694153 /nfs/dbraw/zinc/69/41/53/369694153.db2.gz LALTZIINCIAUSF-UHFFFAOYSA-N 1 2 274.368 2.371 20 10 CECDLO C[N@@H+](Cc1cn(C(C)(C)C)nn1)Cc1ccccc1O ZINC000191253445 369694158 /nfs/dbraw/zinc/69/41/58/369694158.db2.gz LALTZIINCIAUSF-UHFFFAOYSA-N 1 2 274.368 2.371 20 10 CECDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000191711435 369736385 /nfs/dbraw/zinc/73/63/85/369736385.db2.gz PXSKIMXEGDRYFE-SNVBAGLBSA-N 1 2 281.327 2.447 20 10 CECDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000191711435 369736390 /nfs/dbraw/zinc/73/63/90/369736390.db2.gz PXSKIMXEGDRYFE-SNVBAGLBSA-N 1 2 281.327 2.447 20 10 CECDLO CC[N@H+](CC[C@H]1CCOC1=O)c1ccc(OC)cc1 ZINC000267921776 372082593 /nfs/dbraw/zinc/08/25/93/372082593.db2.gz FKMFXFHJJXWFCV-LBPRGKRZSA-N 1 2 263.337 2.475 20 10 CECDLO CC[N@@H+](CC[C@H]1CCOC1=O)c1ccc(OC)cc1 ZINC000267921776 372082596 /nfs/dbraw/zinc/08/25/96/372082596.db2.gz FKMFXFHJJXWFCV-LBPRGKRZSA-N 1 2 263.337 2.475 20 10 CECDLO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ncon2)c1 ZINC000362049180 372187611 /nfs/dbraw/zinc/18/76/11/372187611.db2.gz ZOGVVEIRLXQTAN-LBPRGKRZSA-N 1 2 275.308 2.121 20 10 CECDLO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ncon2)c1 ZINC000362049180 372187617 /nfs/dbraw/zinc/18/76/17/372187617.db2.gz ZOGVVEIRLXQTAN-LBPRGKRZSA-N 1 2 275.308 2.121 20 10 CECDLO CCN(C)CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000187669155 284340133 /nfs/dbraw/zinc/34/01/33/284340133.db2.gz STVVGTOPTMKIJK-SECBINFHSA-N 1 2 258.312 2.273 20 10 CECDLO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400642 373755863 /nfs/dbraw/zinc/75/58/63/373755863.db2.gz MXGRHPVSZJUZHW-PWSUYJOCSA-N 1 2 279.340 2.045 20 10 CECDLO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273400642 373755866 /nfs/dbraw/zinc/75/58/66/373755866.db2.gz MXGRHPVSZJUZHW-PWSUYJOCSA-N 1 2 279.340 2.045 20 10 CECDLO Cc1n[nH]cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273538221 373762641 /nfs/dbraw/zinc/76/26/41/373762641.db2.gz XRJZJYKIGPGOME-SECBINFHSA-N 1 2 276.296 2.183 20 10 CECDLO COC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000295308970 378098078 /nfs/dbraw/zinc/09/80/78/378098078.db2.gz KLPOJLKWQCWFGZ-SNVBAGLBSA-N 1 2 289.734 2.032 20 10 CECDLO COC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000295308970 378098083 /nfs/dbraw/zinc/09/80/83/378098083.db2.gz KLPOJLKWQCWFGZ-SNVBAGLBSA-N 1 2 289.734 2.032 20 10 CECDLO COc1ccc(N(C)C(=O)C=Cc2c[nH]c[nH+]2)cc1OC ZINC000492774176 380684046 /nfs/dbraw/zinc/68/40/46/380684046.db2.gz WQIDBLVQQIHXQP-QPJJXVBHSA-N 1 2 287.319 2.103 20 10 CECDLO CC(=O)Nc1nc(C[N@@H+](C)Cc2ccccc2O)cs1 ZINC000109770992 394735071 /nfs/dbraw/zinc/73/50/71/394735071.db2.gz UCVHISAUNLYBCQ-UHFFFAOYSA-N 1 2 291.376 2.439 20 10 CECDLO COC(=O)C[N@H+](CCCF)Cc1cc(Cl)ccc1O ZINC000137286104 394972235 /nfs/dbraw/zinc/97/22/35/394972235.db2.gz ZNLKQEXDBWXZBY-UHFFFAOYSA-N 1 2 289.734 2.380 20 10 CECDLO COC(=O)C[N@@H+](CCCF)Cc1cc(Cl)ccc1O ZINC000137286104 394972239 /nfs/dbraw/zinc/97/22/39/394972239.db2.gz ZNLKQEXDBWXZBY-UHFFFAOYSA-N 1 2 289.734 2.380 20 10 CECDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC000373752170 395065391 /nfs/dbraw/zinc/06/53/91/395065391.db2.gz VQYBIOAJZRSSJX-KBPBESRZSA-N 1 2 293.338 2.101 20 10 CECDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000373752170 395065396 /nfs/dbraw/zinc/06/53/96/395065396.db2.gz VQYBIOAJZRSSJX-KBPBESRZSA-N 1 2 293.338 2.101 20 10 CECDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CC[S@@](=O)C1 ZINC000375950184 395105769 /nfs/dbraw/zinc/10/57/69/395105769.db2.gz ZWZBSUYJWDCDMM-MLCYQJTMSA-N 1 2 287.812 2.246 20 10 CECDLO COC(=O)C(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293721165 395249152 /nfs/dbraw/zinc/24/91/52/395249152.db2.gz VNYBBTSPCZABRJ-UHFFFAOYSA-N 1 2 275.707 2.226 20 10 CECDLO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000191198076 395351495 /nfs/dbraw/zinc/35/14/95/395351495.db2.gz ZUXKBJNWRCCGJJ-SECBINFHSA-N 1 2 286.322 2.236 20 10 CECDLO Cc1cc(Cl)cc(C[N@@H+]2CCOC[C@]23CCOC3)c1O ZINC000195018128 395456723 /nfs/dbraw/zinc/45/67/23/395456723.db2.gz BIAILPJBCUKDMQ-OAHLLOKOSA-N 1 2 297.782 2.345 20 10 CECDLO Cc1cc(Cl)cc(C[N@H+]2CCOC[C@]23CCOC3)c1O ZINC000195018128 395456727 /nfs/dbraw/zinc/45/67/27/395456727.db2.gz BIAILPJBCUKDMQ-OAHLLOKOSA-N 1 2 297.782 2.345 20 10 CECDLO CCOC(=O)C(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000193332091 395406548 /nfs/dbraw/zinc/40/65/48/395406548.db2.gz PNGZNRPACTVTSK-UHFFFAOYSA-N 1 2 264.369 2.184 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCCc2ccccc21 ZINC000493793181 395674666 /nfs/dbraw/zinc/67/46/66/395674666.db2.gz RNALGYBFDCOABS-BQYQJAHWSA-N 1 2 253.305 2.402 20 10 CECDLO Cn1cnc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000092851311 260272555 /nfs/dbraw/zinc/27/25/55/260272555.db2.gz UPFQPEHZFUNKGN-UHFFFAOYSA-N 1 2 285.395 2.095 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2cc(F)c(F)cc21 ZINC000493404299 262170144 /nfs/dbraw/zinc/17/01/44/262170144.db2.gz VZHOQMOEMSCFPD-OWOJBTEDSA-N 1 2 275.258 2.290 20 10 CECDLO CCN(C(=O)C=Cc1c[nH]c[nH+]1)c1ccccc1OC ZINC000493479618 262178179 /nfs/dbraw/zinc/17/81/79/262178179.db2.gz CSKQNFVRTDFNNX-CMDGGOBGSA-N 1 2 271.320 2.485 20 10 CECDLO CCOC1C[NH+](Cc2cc(Br)ccc2O)C1 ZINC000297333008 263203388 /nfs/dbraw/zinc/20/33/88/263203388.db2.gz DOXZMXNRGDZHDG-UHFFFAOYSA-N 1 2 286.169 2.375 20 10 CECDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000294098041 265006722 /nfs/dbraw/zinc/00/67/22/265006722.db2.gz RXZWRWNDGBMVAV-NSHDSACASA-N 1 2 255.745 2.392 20 10 CECDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000294098041 265006727 /nfs/dbraw/zinc/00/67/27/265006727.db2.gz RXZWRWNDGBMVAV-NSHDSACASA-N 1 2 255.745 2.392 20 10 CECDLO COc1ccc(O)c([C@@H](C)[N@@H+]2CC(F)(F)C[C@@H]2CO)c1 ZINC000368035246 267139398 /nfs/dbraw/zinc/13/93/98/267139398.db2.gz FFASVPOUEBDZAE-NXEZZACHSA-N 1 2 287.306 2.164 20 10 CECDLO COc1ccc(O)c([C@@H](C)[N@H+]2CC(F)(F)C[C@@H]2CO)c1 ZINC000368035246 267139399 /nfs/dbraw/zinc/13/93/99/267139399.db2.gz FFASVPOUEBDZAE-NXEZZACHSA-N 1 2 287.306 2.164 20 10 CECDLO Oc1ccccc1C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000368620547 267191194 /nfs/dbraw/zinc/19/11/94/267191194.db2.gz ANFCAGIVILOPSY-OAHLLOKOSA-N 1 2 280.331 2.390 20 10 CECDLO Cn1ncc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000290102214 328257979 /nfs/dbraw/zinc/25/79/79/328257979.db2.gz WZWQKCGPZMZLQJ-UHFFFAOYSA-N 1 2 299.422 2.437 20 10 CECDLO Cn1ncc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000290102214 328257980 /nfs/dbraw/zinc/25/79/80/328257980.db2.gz WZWQKCGPZMZLQJ-UHFFFAOYSA-N 1 2 299.422 2.437 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000245936159 334224779 /nfs/dbraw/zinc/22/47/79/334224779.db2.gz QCMPRORBXMTPCZ-HIFRSBDPSA-N 1 2 260.381 2.369 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000245936159 334224781 /nfs/dbraw/zinc/22/47/81/334224781.db2.gz QCMPRORBXMTPCZ-HIFRSBDPSA-N 1 2 260.381 2.369 20 10 CECDLO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000279679026 519539966 /nfs/dbraw/zinc/53/99/66/519539966.db2.gz ISJQFCBSZMCFDK-LBPRGKRZSA-N 1 2 296.798 2.394 20 10 CECDLO COC(=O)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC000069610772 523927941 /nfs/dbraw/zinc/92/79/41/523927941.db2.gz FMUWEHPSOPOXRA-CQSZACIVSA-N 1 2 264.369 2.040 20 10 CECDLO C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)CC[S@@]1=O ZINC000277766789 524289688 /nfs/dbraw/zinc/28/96/88/524289688.db2.gz VVHSPLFDWUCVNX-XTZNXHDOSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)CC[S@@]1=O ZINC000277766789 524289699 /nfs/dbraw/zinc/28/96/99/524289699.db2.gz VVHSPLFDWUCVNX-XTZNXHDOSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cccc(Cl)c1O ZINC000131041587 524658509 /nfs/dbraw/zinc/65/85/09/524658509.db2.gz JUQJAQWLMOTIMH-XLFHBGCDSA-N 1 2 275.801 2.244 20 10 CECDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(Cl)c1O ZINC000131041587 524658516 /nfs/dbraw/zinc/65/85/16/524658516.db2.gz JUQJAQWLMOTIMH-XLFHBGCDSA-N 1 2 275.801 2.244 20 10 CECDLO COc1ccc(O)c(C[N@H+](C)Cc2nncn2C(C)C)c1 ZINC000292840852 524734141 /nfs/dbraw/zinc/73/41/41/524734141.db2.gz SCDSUHMBUMYUFY-UHFFFAOYSA-N 1 2 290.367 2.205 20 10 CECDLO COc1ccc(O)c(C[N@@H+](C)Cc2nncn2C(C)C)c1 ZINC000292840852 524734150 /nfs/dbraw/zinc/73/41/50/524734150.db2.gz SCDSUHMBUMYUFY-UHFFFAOYSA-N 1 2 290.367 2.205 20 10 CECDLO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[S@@](=O)C1 ZINC000277362000 524981257 /nfs/dbraw/zinc/98/12/57/524981257.db2.gz FHFZDAFSIHIBNN-MLCYQJTMSA-N 1 2 287.812 2.246 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)CC[S@@](=O)C1 ZINC000277362000 524981269 /nfs/dbraw/zinc/98/12/69/524981269.db2.gz FHFZDAFSIHIBNN-MLCYQJTMSA-N 1 2 287.812 2.246 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CC1=CCCOC1 ZINC000290183530 526325673 /nfs/dbraw/zinc/32/56/73/526325673.db2.gz NWYABQGSLFUUAV-UHFFFAOYSA-N 1 2 253.729 2.482 20 10 CECDLO Cc1nnc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)[nH]1 ZINC000894774883 629629428 /nfs/dbraw/zinc/62/94/28/629629428.db2.gz YXLDNJPQNUPBMC-LURJTMIESA-N 1 2 284.722 2.462 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCCn2nncc2C1 ZINC000895757068 630332724 /nfs/dbraw/zinc/33/27/24/630332724.db2.gz PDGGKZUNKFYOBX-UHFFFAOYSA-N 1 2 278.743 2.043 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCCn2nncc2C1 ZINC000895757068 630332728 /nfs/dbraw/zinc/33/27/28/630332728.db2.gz PDGGKZUNKFYOBX-UHFFFAOYSA-N 1 2 278.743 2.043 20 10 CECDLO COC(OC)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895793400 630348449 /nfs/dbraw/zinc/34/84/49/630348449.db2.gz HAVSQLRJNGRCTJ-SSDOTTSWSA-N 1 2 277.723 2.282 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898202812 632083498 /nfs/dbraw/zinc/08/34/98/632083498.db2.gz NQSGBDUWLATMBH-LBPRGKRZSA-N 1 2 273.735 2.435 20 10 CECDLO CN(CC[NH+](C)C)Cc1cc(Cl)cc(F)c1O ZINC000809730091 632134466 /nfs/dbraw/zinc/13/44/66/632134466.db2.gz ZZBBJKDFBMTNKE-UHFFFAOYSA-N 1 2 260.740 2.178 20 10 CECDLO Nc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)c[nH+]1 ZINC000899341637 632792196 /nfs/dbraw/zinc/79/21/96/632792196.db2.gz GCFKJTPLQYIZAE-DHZHZOJOSA-N 1 2 288.376 2.120 20 10 CECDLO CCN(C)c1ccc(C[N@@H+]2CC[S@@](=O)CC2(C)C)cc1 ZINC000815098134 632959129 /nfs/dbraw/zinc/95/91/29/632959129.db2.gz BJAFEUWEHQROOF-HXUWFJFHSA-N 1 2 294.464 2.486 20 10 CECDLO CCN(C)c1ccc(C[N@H+]2CC[S@@](=O)CC2(C)C)cc1 ZINC000815098134 632959136 /nfs/dbraw/zinc/95/91/36/632959136.db2.gz BJAFEUWEHQROOF-HXUWFJFHSA-N 1 2 294.464 2.486 20 10 CECDLO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cc(F)cc(F)c1O ZINC000903408905 635103978 /nfs/dbraw/zinc/10/39/78/635103978.db2.gz VIARKRFMUPCZSE-OQPBUACISA-N 1 2 271.307 2.482 20 10 CECDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960886 636471003 /nfs/dbraw/zinc/47/10/03/636471003.db2.gz YGNIEGWPDLIQTH-MNOVXSKESA-N 1 2 273.336 2.171 20 10 CECDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960886 636471005 /nfs/dbraw/zinc/47/10/05/636471005.db2.gz YGNIEGWPDLIQTH-MNOVXSKESA-N 1 2 273.336 2.171 20 10 CECDLO C[C@H]1c2nncn2CC[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835050955 638039365 /nfs/dbraw/zinc/03/93/65/638039365.db2.gz UGWHANUYIITNFI-NNTXTVRGSA-N 1 2 297.406 2.434 20 10 CECDLO C[C@H]1c2nncn2CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835050955 638039371 /nfs/dbraw/zinc/03/93/71/638039371.db2.gz UGWHANUYIITNFI-NNTXTVRGSA-N 1 2 297.406 2.434 20 10 CECDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1c(O)cc(C)cc1Cl ZINC000840917344 639585587 /nfs/dbraw/zinc/58/55/87/639585587.db2.gz SQGBMYVRAZQRLI-ZDUSSCGKSA-N 1 2 296.798 2.455 20 10 CECDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC000840917344 639585589 /nfs/dbraw/zinc/58/55/89/639585589.db2.gz SQGBMYVRAZQRLI-ZDUSSCGKSA-N 1 2 296.798 2.455 20 10 CECDLO C[C@@H]([NH2+]CC(F)(F)CO)c1ccc(Cl)cc1O ZINC000841751225 639857936 /nfs/dbraw/zinc/85/79/36/639857936.db2.gz GFEPPBSCEAJADI-SSDOTTSWSA-N 1 2 265.687 2.324 20 10 CECDLO C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057674 640260213 /nfs/dbraw/zinc/26/02/13/640260213.db2.gz QNWRQSALDOKRMO-RKDXNWHRSA-N 1 2 272.751 2.354 20 10 CECDLO C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057674 640260216 /nfs/dbraw/zinc/26/02/16/640260216.db2.gz QNWRQSALDOKRMO-RKDXNWHRSA-N 1 2 272.751 2.354 20 10 CECDLO CC[C@H]([NH2+]C[C@@](C)(CO)OC)c1cccc(Cl)c1O ZINC000848556067 642050913 /nfs/dbraw/zinc/05/09/13/642050913.db2.gz LRDCMFIUWAJLBP-JSGCOSHPSA-N 1 2 287.787 2.484 20 10 CECDLO Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877528823 650769477 /nfs/dbraw/zinc/76/94/77/650769477.db2.gz LTYSJOTVEHMMPS-LLVKDONJSA-N 1 2 293.317 2.393 20 10 CECDLO Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877528823 650769479 /nfs/dbraw/zinc/76/94/79/650769479.db2.gz LTYSJOTVEHMMPS-LLVKDONJSA-N 1 2 293.317 2.393 20 10 CECDLO OCCC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877576287 650797154 /nfs/dbraw/zinc/79/71/54/650797154.db2.gz IPNDORYFNYIZJD-SNVBAGLBSA-N 1 2 271.307 2.265 20 10 CECDLO OCCC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877576287 650797158 /nfs/dbraw/zinc/79/71/58/650797158.db2.gz IPNDORYFNYIZJD-SNVBAGLBSA-N 1 2 271.307 2.265 20 10 CECDLO CCN(C)c1ccc(C[N@H+](C)Cc2cnc[nH]2)cc1 ZINC000852288258 643379974 /nfs/dbraw/zinc/37/99/74/643379974.db2.gz MHHHNDXCQFTFPQ-UHFFFAOYSA-N 1 2 258.369 2.498 20 10 CECDLO CCN(C)c1ccc(C[N@@H+](C)Cc2cnc[nH]2)cc1 ZINC000852288258 643379981 /nfs/dbraw/zinc/37/99/81/643379981.db2.gz MHHHNDXCQFTFPQ-UHFFFAOYSA-N 1 2 258.369 2.498 20 10 CECDLO Oc1cccc(Cl)c1C[NH2+]Cc1noc2c1COCC2 ZINC000923015479 643514838 /nfs/dbraw/zinc/51/48/38/643514838.db2.gz DXZMLJKSDGTKRR-UHFFFAOYSA-N 1 2 294.738 2.396 20 10 CECDLO CCOCCOC1C[NH+](Cc2ccc(OCC)cc2O)C1 ZINC000838991180 644112821 /nfs/dbraw/zinc/11/28/21/644112821.db2.gz JVISWSUAWVDOJH-UHFFFAOYSA-N 1 2 295.379 2.028 20 10 CECDLO Cc1cccc(C[NH+]2CC(OCC(F)F)C2)c1O ZINC000839137731 644170652 /nfs/dbraw/zinc/17/06/52/644170652.db2.gz HRVAZDUEQPJWHF-UHFFFAOYSA-N 1 2 257.280 2.167 20 10 CECDLO CC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)OCCCO1 ZINC000754155418 644331966 /nfs/dbraw/zinc/33/19/66/644331966.db2.gz WMQQTQOVUGWNSH-UHFFFAOYSA-N 1 2 289.734 2.427 20 10 CECDLO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(F)cc(F)c1O ZINC000756575680 644670231 /nfs/dbraw/zinc/67/02/31/644670231.db2.gz JRFQSROYEMVXAP-XLKFXECMSA-N 1 2 271.307 2.482 20 10 CECDLO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)C1 ZINC000756656600 644679894 /nfs/dbraw/zinc/67/98/94/644679894.db2.gz YVQSTACGGQTFPW-ONGXEEELSA-N 1 2 298.333 2.332 20 10 CECDLO C[C@@H]([NH2+]CCc1cnccn1)c1cc(F)cc(F)c1O ZINC000756787075 644692230 /nfs/dbraw/zinc/69/22/30/644692230.db2.gz NXFFABMVXLXVIS-SECBINFHSA-N 1 2 279.290 2.354 20 10 CECDLO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)CC[S@]1=O ZINC000763488834 645550690 /nfs/dbraw/zinc/55/06/90/645550690.db2.gz FHIHVIYVTUNPMY-XTZNXHDOSA-N 1 2 287.812 2.389 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)CC[S@]1=O ZINC000763488834 645550694 /nfs/dbraw/zinc/55/06/94/645550694.db2.gz FHIHVIYVTUNPMY-XTZNXHDOSA-N 1 2 287.812 2.389 20 10 CECDLO C[N@H+](Cc1cc[nH]n1)Cc1cc(Cl)ccc1O ZINC000769383602 646256127 /nfs/dbraw/zinc/25/61/27/646256127.db2.gz FAVUXPAIDIBRMT-UHFFFAOYSA-N 1 2 251.717 2.401 20 10 CECDLO C[N@@H+](Cc1cc[nH]n1)Cc1cc(Cl)ccc1O ZINC000769383602 646256128 /nfs/dbraw/zinc/25/61/28/646256128.db2.gz FAVUXPAIDIBRMT-UHFFFAOYSA-N 1 2 251.717 2.401 20 10 CECDLO CCOc1ccc(C[N@H+](C)Cc2ccon2)c(O)c1 ZINC000769467801 646272018 /nfs/dbraw/zinc/27/20/18/646272018.db2.gz YYESWXNBFCMFCE-UHFFFAOYSA-N 1 2 262.309 2.411 20 10 CECDLO CCOc1ccc(C[N@@H+](C)Cc2ccon2)c(O)c1 ZINC000769467801 646272024 /nfs/dbraw/zinc/27/20/24/646272024.db2.gz YYESWXNBFCMFCE-UHFFFAOYSA-N 1 2 262.309 2.411 20 10 CECDLO CC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000775890656 647003623 /nfs/dbraw/zinc/00/36/23/647003623.db2.gz HEGATTIYSZWQKX-LBPRGKRZSA-N 1 2 261.724 2.435 20 10 CECDLO Cn1cc(CC[NH2+]Cc2cc(Cl)cc(F)c2O)cn1 ZINC000776033398 647018208 /nfs/dbraw/zinc/01/82/08/647018208.db2.gz MTOXXUZJOXBFIT-UHFFFAOYSA-N 1 2 283.734 2.251 20 10 CECDLO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776254547 647043326 /nfs/dbraw/zinc/04/33/26/647043326.db2.gz ZCGSXDNBTHGVQL-SSDOTTSWSA-N 1 2 261.724 2.434 20 10 CECDLO C[N@H+](Cc1nnc2ccccn21)Cc1cc(F)ccc1O ZINC000779003599 647281298 /nfs/dbraw/zinc/28/12/98/647281298.db2.gz XEULUHJIPNZKMK-UHFFFAOYSA-N 1 2 286.310 2.206 20 10 CECDLO C[N@@H+](Cc1nnc2ccccn21)Cc1cc(F)ccc1O ZINC000779003599 647281300 /nfs/dbraw/zinc/28/13/00/647281300.db2.gz XEULUHJIPNZKMK-UHFFFAOYSA-N 1 2 286.310 2.206 20 10 CECDLO O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc2[nH+]ccn2c1 ZINC000779518505 647328612 /nfs/dbraw/zinc/32/86/12/647328612.db2.gz YNOOYWRSRCXMDG-QHHAFSJGSA-N 1 2 295.298 2.397 20 10 CECDLO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)[C@@H]1C ZINC000787420070 648107354 /nfs/dbraw/zinc/10/73/54/648107354.db2.gz CULAUCYRRYZRPP-MWLCHTKSSA-N 1 2 283.755 2.429 20 10 CECDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)[C@@H]1C ZINC000787420070 648107358 /nfs/dbraw/zinc/10/73/58/648107358.db2.gz CULAUCYRRYZRPP-MWLCHTKSSA-N 1 2 283.755 2.429 20 10 CECDLO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1 ZINC000792192391 648622212 /nfs/dbraw/zinc/62/22/12/648622212.db2.gz NSNZZGXENNLVQK-HRBWSGTNSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1 ZINC000792192391 648622214 /nfs/dbraw/zinc/62/22/14/648622214.db2.gz NSNZZGXENNLVQK-HRBWSGTNSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(O)c1 ZINC000792193553 648623353 /nfs/dbraw/zinc/62/33/53/648623353.db2.gz XZPGBHIKDGFCLQ-HRBWSGTNSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)c(O)c1 ZINC000792193553 648623356 /nfs/dbraw/zinc/62/33/56/648623356.db2.gz XZPGBHIKDGFCLQ-HRBWSGTNSA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(CNc2cc[nH+]cc2F)c(O)c1 ZINC000792685830 648666847 /nfs/dbraw/zinc/66/68/47/648666847.db2.gz ILJCNMZFNIMZOP-UHFFFAOYSA-N 1 2 262.284 2.359 20 10 CECDLO Cc1nonc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000872137659 649289268 /nfs/dbraw/zinc/28/92/68/649289268.db2.gz VAYYTFKAPVDBQC-ZETCQYMHSA-N 1 2 251.261 2.074 20 10 CECDLO C[C@@H](CN(C)C)[NH2+]Cc1cccc(Br)c1O ZINC000130142833 652220102 /nfs/dbraw/zinc/22/01/02/652220102.db2.gz MPDAKXIEOQLJJV-VIFPVBQESA-N 1 2 287.201 2.194 20 10 CECDLO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000883355820 652440482 /nfs/dbraw/zinc/44/04/82/652440482.db2.gz YMHBIUJUFSLHBA-MWLCHTKSSA-N 1 2 270.323 2.415 20 10 CECDLO O=c1[nH]ccc2c1CC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142527489 806620292 /nfs/dbraw/zinc/62/02/92/806620292.db2.gz WRGIJKHBYGJXFV-UHFFFAOYSA-N 1 2 292.285 2.329 20 10 CECDLO O=c1[nH]ccc2c1CC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142527489 806620296 /nfs/dbraw/zinc/62/02/96/806620296.db2.gz WRGIJKHBYGJXFV-UHFFFAOYSA-N 1 2 292.285 2.329 20 10 CECDLO C[C@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)[C@H]1CO ZINC001140582633 803178142 /nfs/dbraw/zinc/17/81/42/803178142.db2.gz KYJZTGISGSSQKK-ZANVPECISA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CC[C@]1(C)O ZINC001140582363 803178263 /nfs/dbraw/zinc/17/82/63/803178263.db2.gz HBWWBBJBUDHFDN-OTYXRUKQSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@]1(C)O ZINC001140582363 803178267 /nfs/dbraw/zinc/17/82/67/803178267.db2.gz HBWWBBJBUDHFDN-OTYXRUKQSA-N 1 2 271.307 2.263 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@]12CCOC2 ZINC001140584630 803185617 /nfs/dbraw/zinc/18/56/17/803185617.db2.gz ZTQZQQMHUHEWMH-CQSZACIVSA-N 1 2 269.291 2.425 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@]12CCOC2 ZINC001140584630 803185620 /nfs/dbraw/zinc/18/56/20/803185620.db2.gz ZTQZQQMHUHEWMH-CQSZACIVSA-N 1 2 269.291 2.425 20 10 CECDLO COC(=O)C1C[NH+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140922144 803606118 /nfs/dbraw/zinc/60/61/18/803606118.db2.gz IAQSGVJNECYVAE-UHFFFAOYSA-N 1 2 282.771 2.011 20 10 CECDLO CC(C)(CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715743669 814990653 /nfs/dbraw/zinc/99/06/53/814990653.db2.gz CYQCFUIPSWVJPK-UHFFFAOYSA-N 1 2 292.148 2.154 20 10 CECDLO CCOC(=O)[C@H]([NH2+]Cc1ccc(C)cc1O)C1CC1 ZINC001119245778 815078500 /nfs/dbraw/zinc/07/85/00/815078500.db2.gz UBHRXVAYGCUTGJ-CQSZACIVSA-N 1 2 263.337 2.132 20 10 CECDLO CC[N@H+](CCN1CCOCC1)Cc1cccc(Cl)c1O ZINC001231912788 807197581 /nfs/dbraw/zinc/19/75/81/807197581.db2.gz ZRDJXNKMANJQGU-UHFFFAOYSA-N 1 2 298.814 2.200 20 10 CECDLO CC[N@@H+](CCN1CCOCC1)Cc1cccc(Cl)c1O ZINC001231912788 807197586 /nfs/dbraw/zinc/19/75/86/807197586.db2.gz ZRDJXNKMANJQGU-UHFFFAOYSA-N 1 2 298.814 2.200 20 10 CECDLO C[S@](=O)C1(C[NH2+]Cc2ccc(F)c(F)c2O)CCC1 ZINC000703307075 809641520 /nfs/dbraw/zinc/64/15/20/809641520.db2.gz FQMBUVRYGFQDDI-IBGZPJMESA-N 1 2 289.347 2.061 20 10 CECDLO CC(=O)NC1C[NH+](Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137857441 815698759 /nfs/dbraw/zinc/69/87/59/815698759.db2.gz HOCBCWKGXPSDAX-UHFFFAOYSA-N 1 2 297.402 2.414 20 10 CECDLO Oc1c(F)cccc1C[N@@H+]1CCc2ccncc2C1 ZINC001138128667 815734265 /nfs/dbraw/zinc/73/42/65/815734265.db2.gz UDCYGSXZRXWHDA-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO Oc1c(F)cccc1C[N@H+]1CCc2ccncc2C1 ZINC001138128667 815734271 /nfs/dbraw/zinc/73/42/71/815734271.db2.gz UDCYGSXZRXWHDA-UHFFFAOYSA-N 1 2 258.296 2.485 20 10 CECDLO Oc1cccc(Nc2ccc(N3CCOCC3)[nH+]c2)c1O ZINC001174976454 816111150 /nfs/dbraw/zinc/11/11/50/816111150.db2.gz UMPQQOJAYBVFJP-UHFFFAOYSA-N 1 2 287.319 2.073 20 10 CECDLO COC[C@@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583028 816291323 /nfs/dbraw/zinc/29/13/23/816291323.db2.gz UIPDXIBVAMLCSV-SECBINFHSA-N 1 2 257.280 2.139 20 10 CECDLO COC[C@@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)C1 ZINC001140583028 816291328 /nfs/dbraw/zinc/29/13/28/816291328.db2.gz UIPDXIBVAMLCSV-SECBINFHSA-N 1 2 257.280 2.139 20 10 CECDLO C[C@@H]1C[N@H+](Cc2c(O)cc(F)cc2F)CCCO1 ZINC001140582866 816291813 /nfs/dbraw/zinc/29/18/13/816291813.db2.gz OFQSZPHRGAECNF-SECBINFHSA-N 1 2 257.280 2.281 20 10 CECDLO C[C@@H]1C[N@@H+](Cc2c(O)cc(F)cc2F)CCCO1 ZINC001140582866 816291817 /nfs/dbraw/zinc/29/18/17/816291817.db2.gz OFQSZPHRGAECNF-SECBINFHSA-N 1 2 257.280 2.281 20 10 CECDLO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c(O)cc(F)cc1F ZINC001140583409 816293777 /nfs/dbraw/zinc/29/37/77/816293777.db2.gz FQEPTFNIWRDENK-HZMBPMFUSA-N 1 2 282.334 2.196 20 10 CECDLO C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c(O)cc(F)cc1F ZINC001140583409 816293783 /nfs/dbraw/zinc/29/37/83/816293783.db2.gz FQEPTFNIWRDENK-HZMBPMFUSA-N 1 2 282.334 2.196 20 10 CECDLO CC(C)NC(=O)CC[NH2+]Cc1cccc(Cl)c1O ZINC000135754400 366473622 /nfs/dbraw/zinc/47/36/22/366473622.db2.gz HWDJQSFTYHXOMR-UHFFFAOYSA-N 1 2 270.760 2.050 20 10 CECDLO Oc1ccc(Cl)cc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000195010968 370096104 /nfs/dbraw/zinc/09/61/04/370096104.db2.gz RHDMFLNQNWVICW-CQSZACIVSA-N 1 2 283.755 2.037 20 10 CECDLO Oc1ccc(Cl)cc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000195010968 370096107 /nfs/dbraw/zinc/09/61/07/370096107.db2.gz RHDMFLNQNWVICW-CQSZACIVSA-N 1 2 283.755 2.037 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O)c1cnn(C)c1 ZINC000273620695 373768813 /nfs/dbraw/zinc/76/88/13/373768813.db2.gz YZIQLTDDYXBBLV-ZJUUUORDSA-N 1 2 290.323 2.446 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000371514269 373907827 /nfs/dbraw/zinc/90/78/27/373907827.db2.gz LPVDWWQIARPLJJ-IUODEOHRSA-N 1 2 297.782 2.473 20 10 CECDLO O=C1NC[C@@]2(CCC[N@@H+](Cc3cccc(Cl)c3O)C2)O1 ZINC000375556963 374662304 /nfs/dbraw/zinc/66/23/04/374662304.db2.gz JNQWIBPNLRDHBA-CQSZACIVSA-N 1 2 296.754 2.120 20 10 CECDLO O=C1NC[C@@]2(CCC[N@H+](Cc3cccc(Cl)c3O)C2)O1 ZINC000375556963 374662311 /nfs/dbraw/zinc/66/23/11/374662311.db2.gz JNQWIBPNLRDHBA-CQSZACIVSA-N 1 2 296.754 2.120 20 10 CECDLO Cc1cc(Cl)cc(C[N@@H+]2CC(=O)NCC2(C)C)c1O ZINC000282249297 375438385 /nfs/dbraw/zinc/43/83/85/375438385.db2.gz BCAXHAPIQONDDP-UHFFFAOYSA-N 1 2 282.771 2.064 20 10 CECDLO Cc1cc(Cl)cc(C[N@H+]2CC(=O)NCC2(C)C)c1O ZINC000282249297 375438389 /nfs/dbraw/zinc/43/83/89/375438389.db2.gz BCAXHAPIQONDDP-UHFFFAOYSA-N 1 2 282.771 2.064 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000294817466 378020847 /nfs/dbraw/zinc/02/08/47/378020847.db2.gz FTCVICPDDGTZBH-VIFPVBQESA-N 1 2 259.708 2.141 20 10 CECDLO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000294817466 378020855 /nfs/dbraw/zinc/02/08/55/378020855.db2.gz FTCVICPDDGTZBH-VIFPVBQESA-N 1 2 259.708 2.141 20 10 CECDLO O=C(C=Cc1c[nH]c[nH+]1)N1CCc2cccc(F)c21 ZINC000492867897 380715281 /nfs/dbraw/zinc/71/52/81/380715281.db2.gz SFMIFVJMICQOGD-PLNGDYQASA-N 1 2 257.268 2.151 20 10 CECDLO O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cc(F)ccc1O ZINC000373752174 395065652 /nfs/dbraw/zinc/06/56/52/395065652.db2.gz VQYBIOAJZRSSJX-UONOGXRCSA-N 1 2 293.338 2.101 20 10 CECDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC000373752174 395065659 /nfs/dbraw/zinc/06/56/59/395065659.db2.gz VQYBIOAJZRSSJX-UONOGXRCSA-N 1 2 293.338 2.101 20 10 CECDLO COCc1noc([C@H](C)[N@H+](C)Cc2ccccc2O)n1 ZINC000182161134 395234172 /nfs/dbraw/zinc/23/41/72/395234172.db2.gz BCKAOUFSQTUBQP-JTQLQIEISA-N 1 2 277.324 2.115 20 10 CECDLO COCc1noc([C@H](C)[N@@H+](C)Cc2ccccc2O)n1 ZINC000182161134 395234178 /nfs/dbraw/zinc/23/41/78/395234178.db2.gz BCKAOUFSQTUBQP-JTQLQIEISA-N 1 2 277.324 2.115 20 10 CECDLO OC[C@]1(F)CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000367689407 267109486 /nfs/dbraw/zinc/10/94/86/267109486.db2.gz VAWWBFVNZUGPRM-ZDUSSCGKSA-N 1 2 291.725 2.481 20 10 CECDLO OC[C@]1(F)CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000367689407 267109491 /nfs/dbraw/zinc/10/94/91/267109491.db2.gz VAWWBFVNZUGPRM-ZDUSSCGKSA-N 1 2 291.725 2.481 20 10 CECDLO C[C@H]([NH2+]CCOCC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000276650228 289960788 /nfs/dbraw/zinc/96/07/88/289960788.db2.gz MJECVUBKJNYMIE-QMMMGPOBSA-N 1 2 290.266 2.233 20 10 CECDLO Cc1cc(C[N@H+]2CC[S@](=O)[C@H](C)[C@H]2C)ccc1N(C)C ZINC000293040902 301275179 /nfs/dbraw/zinc/27/51/79/301275179.db2.gz JRPQLCPZFWPHTH-JZKQVHKSSA-N 1 2 294.464 2.402 20 10 CECDLO Cc1cc(C[N@@H+]2CC[S@](=O)[C@H](C)[C@H]2C)ccc1N(C)C ZINC000293040902 301275181 /nfs/dbraw/zinc/27/51/81/301275181.db2.gz JRPQLCPZFWPHTH-JZKQVHKSSA-N 1 2 294.464 2.402 20 10 CECDLO CCCOc1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)c(O)c1 ZINC000275389855 520371601 /nfs/dbraw/zinc/37/16/01/520371601.db2.gz ASLMEZMWLFPQNJ-NSHDSACASA-N 1 2 290.367 2.160 20 10 CECDLO CC[N@H+](CCc1cnn(C)c1)c1ccc(OC)cc1 ZINC000265827969 521170547 /nfs/dbraw/zinc/17/05/47/521170547.db2.gz JYXQYJJYELVNTC-UHFFFAOYSA-N 1 2 259.353 2.498 20 10 CECDLO CC[N@@H+](CCc1cnn(C)c1)c1ccc(OC)cc1 ZINC000265827969 521170551 /nfs/dbraw/zinc/17/05/51/521170551.db2.gz JYXQYJJYELVNTC-UHFFFAOYSA-N 1 2 259.353 2.498 20 10 CECDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2C)c1O ZINC000228629775 522536815 /nfs/dbraw/zinc/53/68/15/522536815.db2.gz SLJNVWABOIHYTI-VIFPVBQESA-N 1 2 271.744 2.275 20 10 CECDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2C)c1O ZINC000228629775 522536824 /nfs/dbraw/zinc/53/68/24/522536824.db2.gz SLJNVWABOIHYTI-VIFPVBQESA-N 1 2 271.744 2.275 20 10 CECDLO Cc1cc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)no1 ZINC000131052561 524661684 /nfs/dbraw/zinc/66/16/84/524661684.db2.gz LLBFVUHDIJKIQL-UHFFFAOYSA-N 1 2 276.292 2.049 20 10 CECDLO Cc1cc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)no1 ZINC000131052561 524661697 /nfs/dbraw/zinc/66/16/97/524661697.db2.gz LLBFVUHDIJKIQL-UHFFFAOYSA-N 1 2 276.292 2.049 20 10 CECDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000366564076 524867235 /nfs/dbraw/zinc/86/72/35/524867235.db2.gz ZHFSOCWFNUWYES-NWDGAFQWSA-N 1 2 253.729 2.327 20 10 CECDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H]3C[C@@H]32)c1O ZINC000366564076 524867245 /nfs/dbraw/zinc/86/72/45/524867245.db2.gz ZHFSOCWFNUWYES-NWDGAFQWSA-N 1 2 253.729 2.327 20 10 CECDLO CCOC(=O)[C@@H](CC1CC1)[NH2+]Cc1cccc(OC)c1O ZINC000753572253 574511099 /nfs/dbraw/zinc/51/10/99/574511099.db2.gz SQQQJBDXBUHTQK-CYBMUJFWSA-N 1 2 293.363 2.222 20 10 CECDLO C[C@@H]1CC[N@H+](CCNCc2c(O)cccc2Cl)C1 ZINC000744450294 575121709 /nfs/dbraw/zinc/12/17/09/575121709.db2.gz QOECRTRKBLBUHQ-LLVKDONJSA-N 1 2 268.788 2.477 20 10 CECDLO C[C@@H]1CC[N@@H+](CCNCc2c(O)cccc2Cl)C1 ZINC000744450294 575121710 /nfs/dbraw/zinc/12/17/10/575121710.db2.gz QOECRTRKBLBUHQ-LLVKDONJSA-N 1 2 268.788 2.477 20 10 CECDLO COc1cccc(CNC(C)(C)C[NH+]2CCCC2)c1O ZINC000308641399 623929767 /nfs/dbraw/zinc/92/97/67/623929767.db2.gz JZMJLHMRDWZJPD-UHFFFAOYSA-N 1 2 278.396 2.365 20 10 CECDLO CCc1nnc(C[NH2+]Cc2c(O)cc(C)cc2Cl)[nH]1 ZINC000840948205 628835600 /nfs/dbraw/zinc/83/56/00/628835600.db2.gz BTYWZDQBVUDKBZ-UHFFFAOYSA-N 1 2 280.759 2.324 20 10 CECDLO CC[C@]1(O)CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877440845 629159220 /nfs/dbraw/zinc/15/92/20/629159220.db2.gz NCUZFAYETQPPHT-ZDUSSCGKSA-N 1 2 257.280 2.017 20 10 CECDLO CC[C@]1(O)CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877440845 629159223 /nfs/dbraw/zinc/15/92/23/629159223.db2.gz NCUZFAYETQPPHT-ZDUSSCGKSA-N 1 2 257.280 2.017 20 10 CECDLO CCOc1cccc(C[NH2+]Cc2nc(C(F)F)no2)c1O ZINC000895727834 630317809 /nfs/dbraw/zinc/31/78/09/630317809.db2.gz UWIQZILRUQBGFU-UHFFFAOYSA-N 1 2 299.277 2.401 20 10 CECDLO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000896735044 630652424 /nfs/dbraw/zinc/65/24/24/630652424.db2.gz AOVMWJGDFCHQFL-HQJQHLMTSA-N 1 2 259.708 2.309 20 10 CECDLO COc1cc(C)cc(C[NH+]2CC(OC(F)F)C2)c1O ZINC000797821558 630761422 /nfs/dbraw/zinc/76/14/22/630761422.db2.gz ZDYGJURMMMMDNJ-UHFFFAOYSA-N 1 2 273.279 2.133 20 10 CECDLO CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](C)O ZINC000824920865 635524851 /nfs/dbraw/zinc/52/48/51/635524851.db2.gz ADRZYUWHBNIKJF-CPCISQLKSA-N 1 2 261.724 2.434 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898203107 632083351 /nfs/dbraw/zinc/08/33/51/632083351.db2.gz RIXNKPCZJHXQBT-LBPRGKRZSA-N 1 2 255.745 2.296 20 10 CECDLO CC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@@H](C)[S@]1=O ZINC000809699234 632129953 /nfs/dbraw/zinc/12/99/53/632129953.db2.gz LZUVTJYITZRZLD-FKANQGBASA-N 1 2 297.420 2.132 20 10 CECDLO CC[C@@H]1C[N@@H+](Cc2c(O)cccc2OC)C[C@@H](C)[S@]1=O ZINC000809699234 632129956 /nfs/dbraw/zinc/12/99/56/632129956.db2.gz LZUVTJYITZRZLD-FKANQGBASA-N 1 2 297.420 2.132 20 10 CECDLO CCOc1ccc(C[N@@H+]2CCn3cncc3C2)c(O)c1 ZINC000811514772 632394888 /nfs/dbraw/zinc/39/48/88/632394888.db2.gz FWKMBMZQYBMQEU-UHFFFAOYSA-N 1 2 273.336 2.003 20 10 CECDLO CCOc1ccc(C[N@H+]2CCn3cncc3C2)c(O)c1 ZINC000811514772 632394890 /nfs/dbraw/zinc/39/48/90/632394890.db2.gz FWKMBMZQYBMQEU-UHFFFAOYSA-N 1 2 273.336 2.003 20 10 CECDLO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000898557484 632537220 /nfs/dbraw/zinc/53/72/20/632537220.db2.gz FHELWPDSMZQLPT-LBPRGKRZSA-N 1 2 282.771 2.146 20 10 CECDLO CC[C@H]1C(=O)NCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000898557484 632537224 /nfs/dbraw/zinc/53/72/24/632537224.db2.gz FHELWPDSMZQLPT-LBPRGKRZSA-N 1 2 282.771 2.146 20 10 CECDLO Cc1cc(CNC(=O)NCCc2ccc(N)cc2)cc(C)[nH+]1 ZINC000817877724 633750522 /nfs/dbraw/zinc/75/05/22/633750522.db2.gz CVZXRZTZKUFAQU-UHFFFAOYSA-N 1 2 298.390 2.323 20 10 CECDLO C[NH2+]CCN[C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000817952546 633797322 /nfs/dbraw/zinc/79/73/22/633797322.db2.gz RPXAAVHWOBEGBG-QMMMGPOBSA-N 1 2 262.275 2.281 20 10 CECDLO CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817959610 633801230 /nfs/dbraw/zinc/80/12/30/633801230.db2.gz DIXCFWLTUAJYIB-STQMWFEESA-N 1 2 252.333 2.309 20 10 CECDLO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(F)cc(F)c1O ZINC000903408903 635103649 /nfs/dbraw/zinc/10/36/49/635103649.db2.gz VIARKRFMUPCZSE-AMIZOPFISA-N 1 2 271.307 2.482 20 10 CECDLO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)C(F)F ZINC000824510759 635439432 /nfs/dbraw/zinc/43/94/32/635439432.db2.gz ZQQCQAFUHQSWAX-QMMMGPOBSA-N 1 2 290.266 2.442 20 10 CECDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824895122 635518628 /nfs/dbraw/zinc/51/86/28/635518628.db2.gz QRYKZVNFVHVMKR-ZDUSSCGKSA-N 1 2 296.798 2.455 20 10 CECDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000824895122 635518634 /nfs/dbraw/zinc/51/86/34/635518634.db2.gz QRYKZVNFVHVMKR-ZDUSSCGKSA-N 1 2 296.798 2.455 20 10 CECDLO CO[C@H](C[NH2+]Cc1cccc(Cl)c1O)[C@H]1CCOC1 ZINC000826822061 635855085 /nfs/dbraw/zinc/85/50/85/635855085.db2.gz JXMQPMCWEFKCIF-WCQYABFASA-N 1 2 285.771 2.187 20 10 CECDLO C[C@H](O)C1([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000827585958 636359381 /nfs/dbraw/zinc/35/93/81/636359381.db2.gz ROQGCXPRSWXELK-ZETCQYMHSA-N 1 2 259.708 2.188 20 10 CECDLO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCc2nn[nH]c2C1 ZINC000827885167 636452542 /nfs/dbraw/zinc/45/25/42/636452542.db2.gz SBGHLMYXSSOVSA-UHFFFAOYSA-N 1 2 297.406 2.353 20 10 CECDLO c1cc(N2CCCCC2)ccc1C[N@H+]1CCc2nn[nH]c2C1 ZINC000827885167 636452551 /nfs/dbraw/zinc/45/25/51/636452551.db2.gz SBGHLMYXSSOVSA-UHFFFAOYSA-N 1 2 297.406 2.353 20 10 CECDLO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)c1ncn(C)n1 ZINC000835045725 638036696 /nfs/dbraw/zinc/03/66/96/638036696.db2.gz PFQFCOVFAXUCOB-SZZPACECSA-N 1 2 285.395 2.245 20 10 CECDLO O=C1[C@@H]([NH2+]Cc2cccc(Cl)c2O)C[C@@H]2CCCCN12 ZINC000835075660 638049579 /nfs/dbraw/zinc/04/95/79/638049579.db2.gz ZLUYKQGAFLDRRI-AAEUAGOBSA-N 1 2 294.782 2.289 20 10 CECDLO CC[C@@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911660661 638341958 /nfs/dbraw/zinc/34/19/58/638341958.db2.gz MODSIXCEWUJTQW-GJZGRUSLSA-N 1 2 291.395 2.097 20 10 CECDLO CC[C@@H](C(=O)Nc1ccc(N)cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911660661 638341961 /nfs/dbraw/zinc/34/19/61/638341961.db2.gz MODSIXCEWUJTQW-GJZGRUSLSA-N 1 2 291.395 2.097 20 10 CECDLO CNC(=O)[C@]1(C)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000228098969 639616960 /nfs/dbraw/zinc/61/69/60/639616960.db2.gz CMYDAXHWVPVXKV-CQSZACIVSA-N 1 2 282.771 2.004 20 10 CECDLO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000228098969 639616963 /nfs/dbraw/zinc/61/69/63/639616963.db2.gz CMYDAXHWVPVXKV-CQSZACIVSA-N 1 2 282.771 2.004 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127091 640293577 /nfs/dbraw/zinc/29/35/77/640293577.db2.gz OKBQKYXXIDNHAB-RNCFNFMXSA-N 1 2 284.762 2.369 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127091 640293580 /nfs/dbraw/zinc/29/35/80/640293580.db2.gz OKBQKYXXIDNHAB-RNCFNFMXSA-N 1 2 284.762 2.369 20 10 CECDLO Oc1ccccc1C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000843418020 640422022 /nfs/dbraw/zinc/42/20/22/640422022.db2.gz GXTGMZJGKOURNS-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO Oc1ccccc1C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000843418020 640422026 /nfs/dbraw/zinc/42/20/26/640422026.db2.gz GXTGMZJGKOURNS-UHFFFAOYSA-N 1 2 275.739 2.394 20 10 CECDLO Cn1c[nH+]cc1CCC(=O)NCc1cc(Cl)ccc1O ZINC000846474622 641312363 /nfs/dbraw/zinc/31/23/63/641312363.db2.gz XJADGXWRMPQZMV-UHFFFAOYSA-N 1 2 293.754 2.028 20 10 CECDLO CC[C@H]([NH2+]Cc1nc(COC)n[nH]1)c1ccc(F)cc1O ZINC000850514173 642737426 /nfs/dbraw/zinc/73/74/26/642737426.db2.gz CXKOVEIWOBTSOF-NSHDSACASA-N 1 2 294.330 2.037 20 10 CECDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(F)cc1O ZINC000756380294 644639367 /nfs/dbraw/zinc/63/93/67/644639367.db2.gz GRDCNQWIGYEZNL-ZUZCIYMTSA-N 1 2 288.322 2.409 20 10 CECDLO C[C@H]([NH2+]CC1(C)COC1)c1cc(F)cc(F)c1O ZINC000756572834 644670127 /nfs/dbraw/zinc/67/01/27/644670127.db2.gz IMYDVHCDFZXZAB-QMMMGPOBSA-N 1 2 257.280 2.358 20 10 CECDLO CC[C@H](CCO)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756602976 644673145 /nfs/dbraw/zinc/67/31/45/644673145.db2.gz HGZZFQYIVPEISX-WCBMZHEXSA-N 1 2 259.296 2.482 20 10 CECDLO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2O)C1 ZINC000756656599 644679766 /nfs/dbraw/zinc/67/97/66/644679766.db2.gz YVQSTACGGQTFPW-MWLCHTKSSA-N 1 2 298.333 2.332 20 10 CECDLO C[C@H]([NH2+]CC1(CO)CCC1)c1cc(F)cc(F)c1O ZINC000757655784 644831622 /nfs/dbraw/zinc/83/16/22/644831622.db2.gz GRCGEFCCBXSBKL-VIFPVBQESA-N 1 2 271.307 2.484 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1F ZINC000857875916 644993279 /nfs/dbraw/zinc/99/32/79/644993279.db2.gz HKTUXFOKYGEGHL-UHFFFAOYSA-N 1 2 274.343 2.173 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1F ZINC000857875916 644993282 /nfs/dbraw/zinc/99/32/82/644993282.db2.gz HKTUXFOKYGEGHL-UHFFFAOYSA-N 1 2 274.343 2.173 20 10 CECDLO CN(C)c1cc(F)c(C[NH2+][C@H]2CCn3ccnc32)cc1F ZINC000858169632 645079358 /nfs/dbraw/zinc/07/93/58/645079358.db2.gz AWYUNHJGTNXELI-ZDUSSCGKSA-N 1 2 292.333 2.462 20 10 CECDLO CN(C)c1ccc(CNc2[nH+]cnc3c2cnn3C)cc1 ZINC000012486364 645231155 /nfs/dbraw/zinc/23/11/55/645231155.db2.gz LRICNLQKDSCPLI-UHFFFAOYSA-N 1 2 282.351 2.041 20 10 CECDLO O=C(NCc1ccn2cc[nH+]c2c1)NCc1ccccc1O ZINC000762271683 645395623 /nfs/dbraw/zinc/39/56/23/645395623.db2.gz KZZDATDWKXKTMC-UHFFFAOYSA-N 1 2 296.330 2.039 20 10 CECDLO COC(=O)[C@@H](COC(C)C)[N@H+](C)Cc1cc(C)ccc1O ZINC000770355354 646381192 /nfs/dbraw/zinc/38/11/92/646381192.db2.gz MARWOPLUUCQPIL-CQSZACIVSA-N 1 2 295.379 2.099 20 10 CECDLO COC(=O)[C@@H](COC(C)C)[N@@H+](C)Cc1cc(C)ccc1O ZINC000770355354 646381198 /nfs/dbraw/zinc/38/11/98/646381198.db2.gz MARWOPLUUCQPIL-CQSZACIVSA-N 1 2 295.379 2.099 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000862527864 646483407 /nfs/dbraw/zinc/48/34/07/646483407.db2.gz JHBAIYZSDNVBRM-WKFQBHICSA-N 1 2 259.708 2.045 20 10 CECDLO CC(C)[N@H+](Cc1nncn1C)Cc1ccc(N(C)C)cc1 ZINC000771791771 646550922 /nfs/dbraw/zinc/55/09/22/646550922.db2.gz UDXQVXZLLPUPDX-UHFFFAOYSA-N 1 2 287.411 2.292 20 10 CECDLO CC(C)[N@@H+](Cc1nncn1C)Cc1ccc(N(C)C)cc1 ZINC000771791771 646550925 /nfs/dbraw/zinc/55/09/25/646550925.db2.gz UDXQVXZLLPUPDX-UHFFFAOYSA-N 1 2 287.411 2.292 20 10 CECDLO Cc1ccc(O)c(CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC000862755731 646557895 /nfs/dbraw/zinc/55/78/95/646557895.db2.gz WYVCMYFNNIWISJ-LBPRGKRZSA-N 1 2 273.336 2.165 20 10 CECDLO C[C@H](NC(=O)CCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000773005965 646694976 /nfs/dbraw/zinc/69/49/76/646694976.db2.gz DTEVNPFQJDQEHZ-ZDUSSCGKSA-N 1 2 286.379 2.217 20 10 CECDLO C[C@@H](O)CC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775702342 646981590 /nfs/dbraw/zinc/98/15/90/646981590.db2.gz QLLHNZIXADIQMR-MRVPVSSYSA-N 1 2 261.724 2.387 20 10 CECDLO C[C@@H](O)CC[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775702342 646981592 /nfs/dbraw/zinc/98/15/92/646981592.db2.gz QLLHNZIXADIQMR-MRVPVSSYSA-N 1 2 261.724 2.387 20 10 CECDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521223 647067977 /nfs/dbraw/zinc/06/79/77/647067977.db2.gz MTEGTTYOVKBNKL-CVJBHZAOSA-N 1 2 293.791 2.384 20 10 CECDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000776521223 647067979 /nfs/dbraw/zinc/06/79/79/647067979.db2.gz MTEGTTYOVKBNKL-CVJBHZAOSA-N 1 2 293.791 2.384 20 10 CECDLO COC(=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000777221832 647121811 /nfs/dbraw/zinc/12/18/11/647121811.db2.gz MDOJIANGUMDERQ-UHFFFAOYSA-N 1 2 287.718 2.228 20 10 CECDLO C[C@@H]1CCN(CC[NH2+]Cc2cccc(Cl)c2O)C1 ZINC000777483248 647140421 /nfs/dbraw/zinc/14/04/21/647140421.db2.gz KEZLKWRIGUYUQH-LLVKDONJSA-N 1 2 268.788 2.477 20 10 CECDLO CN(C)c1nccc(C[NH2+]Cc2cccc(Cl)c2O)n1 ZINC000779431965 647323427 /nfs/dbraw/zinc/32/34/27/647323427.db2.gz ISJFINSUNWPIPL-UHFFFAOYSA-N 1 2 292.770 2.191 20 10 CECDLO Cc1nc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(N)[nH+]1 ZINC000865684788 647422172 /nfs/dbraw/zinc/42/21/72/647422172.db2.gz JXBOEMJDYDZRHN-VIFPVBQESA-N 1 2 272.356 2.001 20 10 CECDLO Cc1nc(N)nc(N[C@@H](C)c2ccc(N(C)C)cc2)[nH+]1 ZINC000865684788 647422176 /nfs/dbraw/zinc/42/21/76/647422176.db2.gz JXBOEMJDYDZRHN-VIFPVBQESA-N 1 2 272.356 2.001 20 10 CECDLO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(F)cc(F)c1O ZINC000866441950 647787876 /nfs/dbraw/zinc/78/78/76/647787876.db2.gz ARJZFJHCPDOSMV-LHLIQPBNSA-N 1 2 281.249 2.337 20 10 CECDLO COC(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2O)[C@@H]1C ZINC000787420069 648107385 /nfs/dbraw/zinc/10/73/85/648107385.db2.gz CULAUCYRRYZRPP-KOLCDFICSA-N 1 2 283.755 2.429 20 10 CECDLO COC(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2O)[C@@H]1C ZINC000787420069 648107386 /nfs/dbraw/zinc/10/73/86/648107386.db2.gz CULAUCYRRYZRPP-KOLCDFICSA-N 1 2 283.755 2.429 20 10 CECDLO COc1ccc(C[NH2+][C@H](C)c2nnnn2C2CC2)cc1C ZINC000790537460 648427968 /nfs/dbraw/zinc/42/79/68/648427968.db2.gz HIWMJWJOSMWRRS-LLVKDONJSA-N 1 2 287.367 2.176 20 10 CECDLO CCOc1ccc(C[NH+]2C[C@@H](C)S(=O)[C@H](C)C2)c(O)c1 ZINC000792193555 648623162 /nfs/dbraw/zinc/62/31/62/648623162.db2.gz XZPGBHIKDGFCLQ-VXGBXAGGSA-N 1 2 297.420 2.132 20 10 CECDLO CN1CC[N@H+](Cc2cccc(F)c2O)Cc2cccnc21 ZINC000872266900 649334860 /nfs/dbraw/zinc/33/48/60/649334860.db2.gz GIBADZCDTFTWMR-UHFFFAOYSA-N 1 2 287.338 2.378 20 10 CECDLO CN1CC[N@@H+](Cc2cccc(F)c2O)Cc2cccnc21 ZINC000872266900 649334863 /nfs/dbraw/zinc/33/48/63/649334863.db2.gz GIBADZCDTFTWMR-UHFFFAOYSA-N 1 2 287.338 2.378 20 10 CECDLO NC(=O)C[N@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC000124531052 649682946 /nfs/dbraw/zinc/68/29/46/649682946.db2.gz WSKJMTSERRHVJG-UHFFFAOYSA-N 1 2 282.771 2.276 20 10 CECDLO NC(=O)C[N@@H+](Cc1cccc(Cl)c1O)C1CCCC1 ZINC000124531052 649682948 /nfs/dbraw/zinc/68/29/48/649682948.db2.gz WSKJMTSERRHVJG-UHFFFAOYSA-N 1 2 282.771 2.276 20 10 CECDLO CCCCN(C)CC[NH2+]Cc1cc(F)cc(F)c1O ZINC000882993759 652312267 /nfs/dbraw/zinc/31/22/67/652312267.db2.gz HCQIPMYUTLJNQH-UHFFFAOYSA-N 1 2 272.339 2.492 20 10 CECDLO C[C@@H]([NH2+]CCCO)c1cc(Br)c(F)cc1O ZINC000134904041 652887012 /nfs/dbraw/zinc/88/70/12/652887012.db2.gz RBZCAUPMNPNJAE-SSDOTTSWSA-N 1 2 292.148 2.327 20 10 CECDLO Cc1c[nH]c(C[NH2+]Cc2cccc(Br)c2O)n1 ZINC000693480511 802960543 /nfs/dbraw/zinc/96/05/43/802960543.db2.gz DPBYNXZZQDDZJV-UHFFFAOYSA-N 1 2 296.168 2.476 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813689 803301609 /nfs/dbraw/zinc/30/16/09/803301609.db2.gz GGBKXVVYNFPNQL-RNCFNFMXSA-N 1 2 269.291 2.281 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813689 803301616 /nfs/dbraw/zinc/30/16/16/803301616.db2.gz GGBKXVVYNFPNQL-RNCFNFMXSA-N 1 2 269.291 2.281 20 10 CECDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000725000037 803383835 /nfs/dbraw/zinc/38/38/35/803383835.db2.gz IYTOMAZILAUZPN-DMLGSKKGSA-N 1 2 253.729 2.049 20 10 CECDLO CC[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715724244 814988239 /nfs/dbraw/zinc/98/82/39/814988239.db2.gz ZQMMZWQPFANRAN-SECBINFHSA-N 1 2 292.148 2.154 20 10 CECDLO Oc1c(Cl)cc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236296961 808055432 /nfs/dbraw/zinc/05/54/32/808055432.db2.gz ZHRZRJQRWVQGEL-KCJUWKMLSA-N 1 2 273.163 2.103 20 10 CECDLO C[C@@](O)(C[NH2+]Cc1ccc(F)c(F)c1O)C(F)(F)F ZINC000703255103 809637749 /nfs/dbraw/zinc/63/77/49/809637749.db2.gz AEASTKOHIVFRGW-SNVBAGLBSA-N 1 2 285.212 2.073 20 10 CECDLO Cc1nnsc1C[NH2+]Cc1ccc(F)c(F)c1O ZINC000703393719 809649740 /nfs/dbraw/zinc/64/97/40/809649740.db2.gz BWPGMWNJAGMVGL-UHFFFAOYSA-N 1 2 271.292 2.120 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000708441905 809931237 /nfs/dbraw/zinc/93/12/37/809931237.db2.gz LYIOOSRHGWOMIV-GXSJLCMTSA-N 1 2 269.291 2.139 20 10 CECDLO Oc1c(F)cc(F)cc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000708441905 809931240 /nfs/dbraw/zinc/93/12/40/809931240.db2.gz LYIOOSRHGWOMIV-GXSJLCMTSA-N 1 2 269.291 2.139 20 10 CECDLO CC[C@@]1([NH2+]Cc2cc(F)cc(F)c2O)CCOC1 ZINC000708497316 809943619 /nfs/dbraw/zinc/94/36/19/809943619.db2.gz RIIMDXDAIUUFBX-CYBMUJFWSA-N 1 2 257.280 2.329 20 10 CECDLO Cc1cc(O)c(C[NH+]2CC3(CCN3C)C2)cc1Cl ZINC001276371737 810680063 /nfs/dbraw/zinc/68/00/63/810680063.db2.gz AWQWDFTVGFNJDO-UHFFFAOYSA-N 1 2 266.772 2.244 20 10 CECDLO Nc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC001174976132 816111785 /nfs/dbraw/zinc/11/17/85/816111785.db2.gz LLSYXGYSKHPOSU-UHFFFAOYSA-N 1 2 270.336 2.244 20 10 CECDLO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001140058976 816180525 /nfs/dbraw/zinc/18/05/25/816180525.db2.gz RVDWSPUPYFAFRB-INIZCTEOSA-N 1 2 288.322 2.500 20 10 CECDLO Oc1ccc(F)cc1C[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001140058976 816180528 /nfs/dbraw/zinc/18/05/28/816180528.db2.gz RVDWSPUPYFAFRB-INIZCTEOSA-N 1 2 288.322 2.500 20 10 CECDLO CCOC(=O)C[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001140180933 816206258 /nfs/dbraw/zinc/20/62/58/816206258.db2.gz NRTGWTMSIPOKQY-UHFFFAOYSA-N 1 2 251.326 2.004 20 10 CECDLO CCOC(=O)C[N@@H+](C)Cc1c(C)ccc(C)c1O ZINC001140180933 816206263 /nfs/dbraw/zinc/20/62/63/816206263.db2.gz NRTGWTMSIPOKQY-UHFFFAOYSA-N 1 2 251.326 2.004 20 10 CECDLO OC[C@H]1CCCC[N@H+]1Cc1c(O)cc(F)cc1F ZINC001140579937 816289468 /nfs/dbraw/zinc/28/94/68/816289468.db2.gz NCKYOYLNUIINSK-SNVBAGLBSA-N 1 2 257.280 2.017 20 10 CECDLO C[C@H]1CC[N@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582789 816290915 /nfs/dbraw/zinc/29/09/15/816290915.db2.gz MXYQRPMOFGSVPE-TVQRCGJNSA-N 1 2 271.307 2.263 20 10 CECDLO C[C@H]1CC[N@@H+](Cc2c(O)cc(F)cc2F)CC[C@H]1O ZINC001140582789 816290920 /nfs/dbraw/zinc/29/09/20/816290920.db2.gz MXYQRPMOFGSVPE-TVQRCGJNSA-N 1 2 271.307 2.263 20 10 CECDLO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(F)cc2F)[C@H]1C ZINC001140583945 816293808 /nfs/dbraw/zinc/29/38/08/816293808.db2.gz ZQKNGUKDZDVGNK-GXSJLCMTSA-N 1 2 299.317 2.444 20 10 CECDLO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cc(F)cc2F)[C@H]1C ZINC001140583945 816293813 /nfs/dbraw/zinc/29/38/13/816293813.db2.gz ZQKNGUKDZDVGNK-GXSJLCMTSA-N 1 2 299.317 2.444 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001140585386 816294877 /nfs/dbraw/zinc/29/48/77/816294877.db2.gz HUAHWWKIEACYHB-LLVKDONJSA-N 1 2 294.305 2.099 20 10 CECDLO Oc1cc(F)cc(F)c1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001140585386 816294882 /nfs/dbraw/zinc/29/48/82/816294882.db2.gz HUAHWWKIEACYHB-LLVKDONJSA-N 1 2 294.305 2.099 20 10 CECDLO Cc1ccc(O)c(C[N@@H+]2CC(F)(F)C[C@]2(C)CO)c1 ZINC001140619748 816305339 /nfs/dbraw/zinc/30/53/39/816305339.db2.gz MZOOPRCHTRWOKC-CYBMUJFWSA-N 1 2 271.307 2.293 20 10 CECDLO Cc1ccc(O)c(C[N@H+]2CC(F)(F)C[C@]2(C)CO)c1 ZINC001140619748 816305344 /nfs/dbraw/zinc/30/53/44/816305344.db2.gz MZOOPRCHTRWOKC-CYBMUJFWSA-N 1 2 271.307 2.293 20 10 CECDLO C[C@@](CO)([NH2+]Cc1cc(Cl)cc(F)c1O)C1CC1 ZINC001178124532 816691035 /nfs/dbraw/zinc/69/10/35/816691035.db2.gz IREJRHNYSAGLLD-ZDUSSCGKSA-N 1 2 273.735 2.435 20 10 CECDLO CCCC[C@@H]([NH2+]Cc1cc(OC)ccc1O)C(=O)OC ZINC000154619461 366782005 /nfs/dbraw/zinc/78/20/05/366782005.db2.gz YGJVCTVTTIFGNQ-CYBMUJFWSA-N 1 2 281.352 2.222 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCOC[C@H]2C2CC2)c1O ZINC000090007402 364031811 /nfs/dbraw/zinc/03/18/11/364031811.db2.gz AXFVEDGZAXPIOJ-HNNXBMFYSA-N 1 2 293.338 2.345 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCOC[C@H]2C2CC2)c1O ZINC000090007402 364031814 /nfs/dbraw/zinc/03/18/14/364031814.db2.gz AXFVEDGZAXPIOJ-HNNXBMFYSA-N 1 2 293.338 2.345 20 10 CECDLO CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000180219663 368373416 /nfs/dbraw/zinc/37/34/16/368373416.db2.gz CFRKFZZMEGCYQO-LLVKDONJSA-N 1 2 282.771 2.004 20 10 CECDLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000180219663 368373417 /nfs/dbraw/zinc/37/34/17/368373417.db2.gz CFRKFZZMEGCYQO-LLVKDONJSA-N 1 2 282.771 2.004 20 10 CECDLO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(F)c(F)c1O ZINC000187744937 369215320 /nfs/dbraw/zinc/21/53/20/369215320.db2.gz QJKVNZLEHFXMHY-SDBXPKJASA-N 1 2 289.347 2.189 20 10 CECDLO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000189412289 284323909 /nfs/dbraw/zinc/32/39/09/284323909.db2.gz QAVQWWOZQSWLPO-IUCAKERBSA-N 1 2 286.322 2.188 20 10 CECDLO C[C@@H]1CC[S@](=O)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000365442381 372860523 /nfs/dbraw/zinc/86/05/23/372860523.db2.gz JWRXJAHHMXFBRZ-ODXCJYRJSA-N 1 2 298.427 2.235 20 10 CECDLO C[C@@H]1CC[S@](=O)CC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000365442381 372860533 /nfs/dbraw/zinc/86/05/33/372860533.db2.gz JWRXJAHHMXFBRZ-ODXCJYRJSA-N 1 2 298.427 2.235 20 10 CECDLO CCOC(=O)C[N@H+](Cc1cccc(F)c1O)C1CC1 ZINC000272307670 373422581 /nfs/dbraw/zinc/42/25/81/373422581.db2.gz QYITVAUCAHFPOR-UHFFFAOYSA-N 1 2 267.300 2.059 20 10 CECDLO CCOC(=O)C[N@@H+](Cc1cccc(F)c1O)C1CC1 ZINC000272307670 373422586 /nfs/dbraw/zinc/42/25/86/373422586.db2.gz QYITVAUCAHFPOR-UHFFFAOYSA-N 1 2 267.300 2.059 20 10 CECDLO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000272257959 373391373 /nfs/dbraw/zinc/39/13/73/373391373.db2.gz JOTAOAVCPPHZFV-GFCCVEGCSA-N 1 2 267.300 2.059 20 10 CECDLO COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000272257959 373391384 /nfs/dbraw/zinc/39/13/84/373391384.db2.gz JOTAOAVCPPHZFV-GFCCVEGCSA-N 1 2 267.300 2.059 20 10 CECDLO COC(=O)[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000272963237 373734135 /nfs/dbraw/zinc/73/41/35/373734135.db2.gz AYJNRQRCCPDSKZ-OTYXRUKQSA-N 1 2 279.336 2.003 20 10 CECDLO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276896451 374337625 /nfs/dbraw/zinc/33/76/25/374337625.db2.gz IIGAOVKVBSVUIF-IXGDSRDXSA-N 1 2 291.363 2.478 20 10 CECDLO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1)OCO2 ZINC000375356417 374653915 /nfs/dbraw/zinc/65/39/15/374653915.db2.gz ZOEVSDIXFYHCIB-NSHDSACASA-N 1 2 287.319 2.181 20 10 CECDLO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ncc[nH]1)OCO2 ZINC000375356417 374653921 /nfs/dbraw/zinc/65/39/21/374653921.db2.gz ZOEVSDIXFYHCIB-NSHDSACASA-N 1 2 287.319 2.181 20 10 CECDLO CCCC[N@H+](Cc1cnn[nH]1)Cc1ccccc1O ZINC000295128654 378043035 /nfs/dbraw/zinc/04/30/35/378043035.db2.gz BYEVZTAGRFHWLB-UHFFFAOYSA-N 1 2 260.341 2.313 20 10 CECDLO CCCC[N@@H+](Cc1cnn[nH]1)Cc1ccccc1O ZINC000295128654 378043041 /nfs/dbraw/zinc/04/30/41/378043041.db2.gz BYEVZTAGRFHWLB-UHFFFAOYSA-N 1 2 260.341 2.313 20 10 CECDLO CCCC[N@H+](Cc1c[nH]nn1)Cc1ccccc1O ZINC000295128654 378043045 /nfs/dbraw/zinc/04/30/45/378043045.db2.gz BYEVZTAGRFHWLB-UHFFFAOYSA-N 1 2 260.341 2.313 20 10 CECDLO CCCC[N@@H+](Cc1c[nH]nn1)Cc1ccccc1O ZINC000295128654 378043049 /nfs/dbraw/zinc/04/30/49/378043049.db2.gz BYEVZTAGRFHWLB-UHFFFAOYSA-N 1 2 260.341 2.313 20 10 CECDLO CCCC[N@H+](Cc1cn[nH]n1)Cc1ccccc1O ZINC000295128654 378043057 /nfs/dbraw/zinc/04/30/57/378043057.db2.gz BYEVZTAGRFHWLB-UHFFFAOYSA-N 1 2 260.341 2.313 20 10 CECDLO CCCC[N@@H+](Cc1cn[nH]n1)Cc1ccccc1O ZINC000295128654 378043064 /nfs/dbraw/zinc/04/30/64/378043064.db2.gz BYEVZTAGRFHWLB-UHFFFAOYSA-N 1 2 260.341 2.313 20 10 CECDLO COc1cccc(C[N@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000093773210 394668387 /nfs/dbraw/zinc/66/83/87/394668387.db2.gz ZSLLAHXSDQNXOE-LLVKDONJSA-N 1 2 281.352 2.173 20 10 CECDLO COc1cccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)C)c1O ZINC000093773210 394668392 /nfs/dbraw/zinc/66/83/92/394668392.db2.gz ZSLLAHXSDQNXOE-LLVKDONJSA-N 1 2 281.352 2.173 20 10 CECDLO CN(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000374274925 395078887 /nfs/dbraw/zinc/07/88/87/395078887.db2.gz RDOCTGJQBGCJEF-BETUJISGSA-N 1 2 264.344 2.255 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000374274925 395078889 /nfs/dbraw/zinc/07/88/89/395078889.db2.gz RDOCTGJQBGCJEF-BETUJISGSA-N 1 2 264.344 2.255 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCc3c(ncn3C)C2)cc1 ZINC000374421126 395081618 /nfs/dbraw/zinc/08/16/18/395081618.db2.gz NHHYYWYOACJDMD-UHFFFAOYSA-N 1 2 270.380 2.044 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCc3c(ncn3C)C2)cc1 ZINC000374421126 395081622 /nfs/dbraw/zinc/08/16/22/395081622.db2.gz NHHYYWYOACJDMD-UHFFFAOYSA-N 1 2 270.380 2.044 20 10 CECDLO CN(C)c1ccc(CN2CCc3c([nH+]cn3C)C2)cc1 ZINC000374421126 395081625 /nfs/dbraw/zinc/08/16/25/395081625.db2.gz NHHYYWYOACJDMD-UHFFFAOYSA-N 1 2 270.380 2.044 20 10 CECDLO O=[N+]([O-])c1ccc(O)c(C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000184500535 262021527 /nfs/dbraw/zinc/02/15/27/262021527.db2.gz LMVBMBMJBQKUCB-LBPRGKRZSA-N 1 2 292.291 2.107 20 10 CECDLO C[C@H]([NH2+]Cc1ncn(C)n1)c1cc(Cl)ccc1O ZINC000186214028 262084677 /nfs/dbraw/zinc/08/46/77/262084677.db2.gz ROMWEEJVIWZENA-QMMMGPOBSA-N 1 2 266.732 2.025 20 10 CECDLO CCOCCOC1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000272439893 263004382 /nfs/dbraw/zinc/00/43/82/263004382.db2.gz SUWYXAFITQUBRE-UHFFFAOYSA-N 1 2 285.771 2.283 20 10 CECDLO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(F)c(F)c1O ZINC000276947809 263038906 /nfs/dbraw/zinc/03/89/06/263038906.db2.gz QJPSZPUQWBWUON-SVGQVSJJSA-N 1 2 285.212 2.244 20 10 CECDLO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000371375015 267395278 /nfs/dbraw/zinc/39/52/78/267395278.db2.gz SXVSFESBVIHCET-CQSZACIVSA-N 1 2 272.352 2.473 20 10 CECDLO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000371375015 267395281 /nfs/dbraw/zinc/39/52/81/267395281.db2.gz SXVSFESBVIHCET-CQSZACIVSA-N 1 2 272.352 2.473 20 10 CECDLO CC[C@H]([NH2+]CC1(CO)COC1)c1cccc(Cl)c1O ZINC000287725014 288037376 /nfs/dbraw/zinc/03/73/76/288037376.db2.gz OUALMVRFYZLNPD-LBPRGKRZSA-N 1 2 285.771 2.095 20 10 CECDLO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1=O ZINC000276898529 279550333 /nfs/dbraw/zinc/55/03/33/279550333.db2.gz ISWRPQBSDVKHPX-UWVGGRQHSA-N 1 2 298.333 2.330 20 10 CECDLO COc1c(O)c(C[NH2+]Cc2nccs2)ccc1[N+](=O)[O-] ZINC000278953998 328232223 /nfs/dbraw/zinc/23/22/23/328232223.db2.gz ZWMBLYVCBSRZDH-UHFFFAOYSA-N 1 2 295.320 2.055 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1O ZINC000156367781 518287462 /nfs/dbraw/zinc/28/74/62/518287462.db2.gz RFURAEGLFNIJKG-GXSJLCMTSA-N 1 2 281.327 2.343 20 10 CECDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1O ZINC000156367781 518287472 /nfs/dbraw/zinc/28/74/72/518287472.db2.gz RFURAEGLFNIJKG-GXSJLCMTSA-N 1 2 281.327 2.343 20 10 CECDLO CCOCc1nc([C@@H](C)[NH2+]Cc2ccccc2O)no1 ZINC000291667414 520217338 /nfs/dbraw/zinc/21/73/38/520217338.db2.gz VYYHRAPDHXUOLS-SNVBAGLBSA-N 1 2 277.324 2.163 20 10 CECDLO COC[C@H]1CC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293518873 522853027 /nfs/dbraw/zinc/85/30/27/522853027.db2.gz AWLYUGVZEFEBKF-SECBINFHSA-N 1 2 259.708 2.405 20 10 CECDLO COC[C@H]1CC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000293518873 522853033 /nfs/dbraw/zinc/85/30/33/522853033.db2.gz AWLYUGVZEFEBKF-SECBINFHSA-N 1 2 259.708 2.405 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CC(F)(F)C[C@@H]2CO)cc1C ZINC000364838425 525314977 /nfs/dbraw/zinc/31/49/77/525314977.db2.gz KBDUZSXEBOJJNB-GFCCVEGCSA-N 1 2 271.307 2.211 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CC(F)(F)C[C@@H]2CO)cc1C ZINC000364838425 525314985 /nfs/dbraw/zinc/31/49/85/525314985.db2.gz KBDUZSXEBOJJNB-GFCCVEGCSA-N 1 2 271.307 2.211 20 10 CECDLO C[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1ccc(F)cc1O ZINC000275802430 525623732 /nfs/dbraw/zinc/62/37/32/525623732.db2.gz YNGJADDUCWSGBN-BDAKNGLRSA-N 1 2 264.304 2.072 20 10 CECDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1nncn1C ZINC000276896652 525660833 /nfs/dbraw/zinc/66/08/33/525660833.db2.gz INBQECQIBGRBQX-HTQZYQBOSA-N 1 2 282.294 2.211 20 10 CECDLO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000276856049 526978974 /nfs/dbraw/zinc/97/89/74/526978974.db2.gz VYZYEHOQUHTYGC-GFCCVEGCSA-N 1 2 294.782 2.242 20 10 CECDLO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000276856049 526978980 /nfs/dbraw/zinc/97/89/80/526978980.db2.gz VYZYEHOQUHTYGC-GFCCVEGCSA-N 1 2 294.782 2.242 20 10 CECDLO C[N@H+](CCO)Cc1cc(Cl)cc(Br)c1O ZINC000893871035 629023508 /nfs/dbraw/zinc/02/35/08/629023508.db2.gz JURXBTSXNFCENY-UHFFFAOYSA-N 1 2 294.576 2.232 20 10 CECDLO C[N@@H+](CCO)Cc1cc(Cl)cc(Br)c1O ZINC000893871035 629023510 /nfs/dbraw/zinc/02/35/10/629023510.db2.gz JURXBTSXNFCENY-UHFFFAOYSA-N 1 2 294.576 2.232 20 10 CECDLO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cc(CO)on1 ZINC000924861983 629125529 /nfs/dbraw/zinc/12/55/29/629125529.db2.gz NNMSORCKWIFOLC-JTQLQIEISA-N 1 2 293.342 2.223 20 10 CECDLO CC(C)[N@@H+](Cc1cc(F)cc(F)c1O)C1COC1 ZINC000894868874 629707327 /nfs/dbraw/zinc/70/73/27/629707327.db2.gz KEEKKPQFAZIPDT-UHFFFAOYSA-N 1 2 257.280 2.280 20 10 CECDLO COC(=O)[C@H](CC1CC1)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894992400 629782989 /nfs/dbraw/zinc/78/29/89/629782989.db2.gz AVRHUIBLYHZRTO-ZDUSSCGKSA-N 1 2 293.363 2.141 20 10 CECDLO Cn1cc(C[NH2+]Cc2c(O)cccc2F)c(Cl)n1 ZINC000896641121 630623088 /nfs/dbraw/zinc/62/30/88/630623088.db2.gz KPXKQXOLLPASCK-UHFFFAOYSA-N 1 2 269.707 2.208 20 10 CECDLO COc1cc(C[NH+]2CC(OC(F)F)C2)c(O)cc1C ZINC000797820823 630760866 /nfs/dbraw/zinc/76/08/66/630760866.db2.gz PNFPRTAOZOBRQX-UHFFFAOYSA-N 1 2 273.279 2.133 20 10 CECDLO O=S1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816504515 633403313 /nfs/dbraw/zinc/40/33/13/633403313.db2.gz PYNCCQMMKOXJPR-UHFFFAOYSA-N 1 2 275.373 2.110 20 10 CECDLO C[C@H](NCC[NH2+]C1CC1)c1cc(F)cc(F)c1O ZINC000817952371 633797083 /nfs/dbraw/zinc/79/70/83/633797083.db2.gz FAOPWBVSJSNCMZ-QMMMGPOBSA-N 1 2 256.296 2.073 20 10 CECDLO Oc1c(Br)cccc1C[NH2+]Cc1cc[nH]n1 ZINC000042412612 633975073 /nfs/dbraw/zinc/97/50/73/633975073.db2.gz PIOFADHCTGDOQS-UHFFFAOYSA-N 1 2 282.141 2.168 20 10 CECDLO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(F)cc(F)c1O ZINC000903215724 635018948 /nfs/dbraw/zinc/01/89/48/635018948.db2.gz NSLMXKFXTGTSAM-NXEZZACHSA-N 1 2 298.333 2.189 20 10 CECDLO COc1nn(C)cc1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000903339266 635068986 /nfs/dbraw/zinc/06/89/86/635068986.db2.gz XNGIMMRHZPHXSX-MRVPVSSYSA-N 1 2 297.305 2.263 20 10 CECDLO Cc1cc(O)c(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)cc1Cl ZINC000824709914 635482960 /nfs/dbraw/zinc/48/29/60/635482960.db2.gz QRNWTTDHUBDZLK-CQSZACIVSA-N 1 2 296.798 2.310 20 10 CECDLO Cc1cc(O)c(C[N@H+]2CCNC(=O)[C@H]2C(C)C)cc1Cl ZINC000824709914 635482964 /nfs/dbraw/zinc/48/29/64/635482964.db2.gz QRNWTTDHUBDZLK-CQSZACIVSA-N 1 2 296.798 2.310 20 10 CECDLO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cccc(Cl)c1O ZINC000825045438 635548259 /nfs/dbraw/zinc/54/82/59/635548259.db2.gz DMHSZPKNGJSVJL-JTQLQIEISA-N 1 2 279.771 2.500 20 10 CECDLO Cc1cc(O)c(C[NH2+]Cc2nc(N(C)C)no2)cc1Cl ZINC000825543439 635658993 /nfs/dbraw/zinc/65/89/93/635658993.db2.gz VYGDDNKBPYAVGU-UHFFFAOYSA-N 1 2 296.758 2.093 20 10 CECDLO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)C1 ZINC000827812555 636431205 /nfs/dbraw/zinc/43/12/05/636431205.db2.gz PMAUSRPSMOIBQR-MGCOHNPYSA-N 1 2 269.728 2.087 20 10 CECDLO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(F)c(F)c1O ZINC000876634743 650368946 /nfs/dbraw/zinc/36/89/46/650368946.db2.gz APRKYGOFXRXCSV-UHFFFAOYSA-N 1 2 281.306 2.426 20 10 CECDLO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(F)c(F)c1O ZINC000876634743 650368949 /nfs/dbraw/zinc/36/89/49/650368949.db2.gz APRKYGOFXRXCSV-UHFFFAOYSA-N 1 2 281.306 2.426 20 10 CECDLO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cc(F)cc(F)c1O ZINC000834916415 637988183 /nfs/dbraw/zinc/98/81/83/637988183.db2.gz XYXVDEOYZUZFSF-UPZJHPNMSA-N 1 2 257.280 2.234 20 10 CECDLO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876782041 650429026 /nfs/dbraw/zinc/42/90/26/650429026.db2.gz MHKOUEUDHGBNHF-AWEZNQCLSA-N 1 2 285.290 2.055 20 10 CECDLO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000876782041 650429027 /nfs/dbraw/zinc/42/90/27/650429027.db2.gz MHKOUEUDHGBNHF-AWEZNQCLSA-N 1 2 285.290 2.055 20 10 CECDLO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000228098960 639616977 /nfs/dbraw/zinc/61/69/77/639616977.db2.gz CMYDAXHWVPVXKV-AWEZNQCLSA-N 1 2 282.771 2.004 20 10 CECDLO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000228098960 639616978 /nfs/dbraw/zinc/61/69/78/639616978.db2.gz CMYDAXHWVPVXKV-AWEZNQCLSA-N 1 2 282.771 2.004 20 10 CECDLO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000841089509 639653066 /nfs/dbraw/zinc/65/30/66/639653066.db2.gz HTAKUYNIWVCDGU-LLVKDONJSA-N 1 2 272.751 2.416 20 10 CECDLO C[C@H]1CCCN(Cc2cccc(F)c2O)[C@H]1C[NH3+] ZINC000843052573 640256472 /nfs/dbraw/zinc/25/64/72/640256472.db2.gz VUTXLBFIHWQBMC-GWCFXTLKSA-N 1 2 252.333 2.091 20 10 CECDLO COc1ccc(N(C)CC[N@H+](C)Cc2cocn2)cc1 ZINC000846051448 641164102 /nfs/dbraw/zinc/16/41/02/641164102.db2.gz GWWXOTLBISQFAQ-UHFFFAOYSA-N 1 2 275.352 2.251 20 10 CECDLO COc1ccc(N(C)CC[N@@H+](C)Cc2cocn2)cc1 ZINC000846051448 641164109 /nfs/dbraw/zinc/16/41/09/641164109.db2.gz GWWXOTLBISQFAQ-UHFFFAOYSA-N 1 2 275.352 2.251 20 10 CECDLO C[NH+](C)C1CC(NCc2c(O)ccc(Cl)c2F)C1 ZINC000848558693 642053502 /nfs/dbraw/zinc/05/35/02/642053502.db2.gz SRXCIZHKGVRAOE-UHFFFAOYSA-N 1 2 272.751 2.367 20 10 CECDLO CC[C@@]1(O)CC[N@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877440844 650722999 /nfs/dbraw/zinc/72/29/99/650722999.db2.gz NCUZFAYETQPPHT-CYBMUJFWSA-N 1 2 257.280 2.017 20 10 CECDLO CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)c(F)c2O)C1 ZINC000877440844 650723001 /nfs/dbraw/zinc/72/30/01/650723001.db2.gz NCUZFAYETQPPHT-CYBMUJFWSA-N 1 2 257.280 2.017 20 10 CECDLO CC(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1nncn1C ZINC000877514759 650759877 /nfs/dbraw/zinc/75/98/77/650759877.db2.gz PXGNXXRFVGOTME-GFCCVEGCSA-N 1 2 296.321 2.286 20 10 CECDLO COC[C@@H](CC[NH2+][C@H](C)c1cc(F)cc(F)c1O)OC ZINC000850485171 642729199 /nfs/dbraw/zinc/72/91/99/642729199.db2.gz CAYHKRJGDKFMHK-MWLCHTKSSA-N 1 2 289.322 2.373 20 10 CECDLO Cc1ccc(C[NH+]2CC(OC(=O)NC(C)C)C2)c(O)c1 ZINC000877581956 650799938 /nfs/dbraw/zinc/79/99/38/650799938.db2.gz BBPGSCKTUFMNKL-UHFFFAOYSA-N 1 2 278.352 2.019 20 10 CECDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cocn2)c1 ZINC000756830970 644697263 /nfs/dbraw/zinc/69/72/63/644697263.db2.gz JOOWTTUKQFUSTM-VIFPVBQESA-N 1 2 276.292 2.018 20 10 CECDLO C[C@H]([NH2+]CCc1ccn(C)n1)c1cc(F)cc(F)c1O ZINC000760896450 645208166 /nfs/dbraw/zinc/20/81/66/645208166.db2.gz MAKHGUZMLNGRLP-VIFPVBQESA-N 1 2 281.306 2.297 20 10 CECDLO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1O ZINC000863546638 646753981 /nfs/dbraw/zinc/75/39/81/646753981.db2.gz MBVUPWOYGJDFRM-SCVCMEIPSA-N 1 2 252.333 2.322 20 10 CECDLO CCN(C)c1ccc(C[N@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1 ZINC000773887624 646784618 /nfs/dbraw/zinc/78/46/18/646784618.db2.gz GFZFLPFDHYJZJE-IKDJWVMYSA-N 1 2 294.464 2.484 20 10 CECDLO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1 ZINC000773887624 646784622 /nfs/dbraw/zinc/78/46/22/646784622.db2.gz GFZFLPFDHYJZJE-IKDJWVMYSA-N 1 2 294.464 2.484 20 10 CECDLO Oc1c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)ccc(F)c1F ZINC000864051754 646872642 /nfs/dbraw/zinc/87/26/42/646872642.db2.gz QUMVGQPWBHWCHM-HNNXBMFYSA-N 1 2 283.318 2.407 20 10 CECDLO Oc1c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)ccc(F)c1F ZINC000864051754 646872647 /nfs/dbraw/zinc/87/26/47/646872647.db2.gz QUMVGQPWBHWCHM-HNNXBMFYSA-N 1 2 283.318 2.407 20 10 CECDLO OCC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775648515 646976177 /nfs/dbraw/zinc/97/61/77/646976177.db2.gz VWRBCTNRCPWUNO-UHFFFAOYSA-N 1 2 273.735 2.389 20 10 CECDLO C[N@H+](CCN1CCCC1=O)Cc1cccc(Cl)c1O ZINC000775692252 646981599 /nfs/dbraw/zinc/98/15/99/646981599.db2.gz TVJGEFSLWXKYQN-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO C[N@@H+](CCN1CCCC1=O)Cc1cccc(Cl)c1O ZINC000775692252 646981601 /nfs/dbraw/zinc/98/16/01/646981601.db2.gz TVJGEFSLWXKYQN-UHFFFAOYSA-N 1 2 282.771 2.100 20 10 CECDLO C[C@H](O)CC[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775702343 646981951 /nfs/dbraw/zinc/98/19/51/646981951.db2.gz QLLHNZIXADIQMR-QMMMGPOBSA-N 1 2 261.724 2.387 20 10 CECDLO C[C@H](O)CC[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC000775702343 646981954 /nfs/dbraw/zinc/98/19/54/646981954.db2.gz QLLHNZIXADIQMR-QMMMGPOBSA-N 1 2 261.724 2.387 20 10 CECDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000776232012 647040180 /nfs/dbraw/zinc/04/01/80/647040180.db2.gz QJUKCCCLGMWRQW-LBPRGKRZSA-N 1 2 291.775 2.142 20 10 CECDLO Cn1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC000776253346 647042418 /nfs/dbraw/zinc/04/24/18/647042418.db2.gz MIPYNXLDJPJYGK-UHFFFAOYSA-N 1 2 269.707 2.208 20 10 CECDLO C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc(F)cc(F)c1O ZINC000779069756 647285839 /nfs/dbraw/zinc/28/58/39/647285839.db2.gz ZKYJHDHTSRKMJW-SSDOTTSWSA-N 1 2 296.273 2.213 20 10 CECDLO OCCC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000779227099 647299323 /nfs/dbraw/zinc/29/93/23/647299323.db2.gz ZDZWAGUNKXELDG-UHFFFAOYSA-N 1 2 273.735 2.437 20 10 CECDLO CC[N@@H+](Cc1cn(C)nn1)Cc1cc(Cl)ccc1O ZINC000781928810 647572477 /nfs/dbraw/zinc/57/24/77/647572477.db2.gz FIOUZAQJWKYUSI-UHFFFAOYSA-N 1 2 280.759 2.196 20 10 CECDLO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cc(F)cc(F)c1O ZINC000866441952 647788567 /nfs/dbraw/zinc/78/85/67/647788567.db2.gz ARJZFJHCPDOSMV-WKEGUHRASA-N 1 2 281.249 2.337 20 10 CECDLO CC[N@H+](CC(=O)N(C)C)Cc1c(O)ccc(Cl)c1F ZINC000792163367 648617387 /nfs/dbraw/zinc/61/73/87/648617387.db2.gz XHFFTGISWHYABD-UHFFFAOYSA-N 1 2 288.750 2.095 20 10 CECDLO CC[N@@H+](CC(=O)N(C)C)Cc1c(O)ccc(Cl)c1F ZINC000792163367 648617388 /nfs/dbraw/zinc/61/73/88/648617388.db2.gz XHFFTGISWHYABD-UHFFFAOYSA-N 1 2 288.750 2.095 20 10 CECDLO C[C@@H]1CCCN(CC[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882891293 652252273 /nfs/dbraw/zinc/25/22/73/652252273.db2.gz SQBIGORQXNSTRC-LLVKDONJSA-N 1 2 284.350 2.492 20 10 CECDLO CC(=O)NC1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000135749077 652985370 /nfs/dbraw/zinc/98/53/70/652985370.db2.gz CJXDNRDHYIRKLH-UHFFFAOYSA-N 1 2 282.771 2.146 20 10 CECDLO