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CDADLM O=C(N=c1cccn[nH]1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000358497606 367727368 /nfs/dbraw/zinc/72/73/68/367727368.db2.gz TZDMCCAYVSZZIX-AWEZNQCLSA-N -1 2 297.362 1.295 20 0 CDADLM CCc1ccc(NS(=O)(=O)c2cn[nH]c2)c(C(=O)[O-])c1 ZINC000336844457 371881507 /nfs/dbraw/zinc/88/15/07/371881507.db2.gz ZNTHXDMKHXCRBN-UHFFFAOYSA-N -1 2 295.320 1.471 20 0 CDADLM C[C@H](CNC(=O)c1cccc2[nH]nnc21)C(F)(F)F ZINC000525873188 378474596 /nfs/dbraw/zinc/47/45/96/378474596.db2.gz KJOCVVKKSZPXOH-ZCFIWIBFSA-N -1 2 272.230 1.886 20 0 CDADLM C[C@H]1C[C@@H](C(=O)[O-])CN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000647457031 390962889 /nfs/dbraw/zinc/96/28/89/390962889.db2.gz SRRFEKDAROYWDJ-WCBMZHEXSA-N -1 2 264.281 1.327 20 0 CDADLM COCC[C@@H]1COCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459510984 393201437 /nfs/dbraw/zinc/20/14/37/393201437.db2.gz ZMIPAPNSFDLUTG-CYBMUJFWSA-N -1 2 293.367 1.297 20 0 CDADLM C[C@H](CC(=O)[O-])NC(=O)c1cc(F)c(O)c(F)c1 ZINC000455750034 397711076 /nfs/dbraw/zinc/71/10/76/397711076.db2.gz 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ZINC001168621372 919683035 /nfs/dbraw/zinc/68/30/35/919683035.db2.gz VLGYQNVJXJJHGD-UHFFFAOYSA-N -1 2 294.247 1.376 20 0 CDADLM O=[P@]([O-])(O)c1ccc(NCCOc2cccnc2)cc1 ZINC001168621372 919683044 /nfs/dbraw/zinc/68/30/44/919683044.db2.gz VLGYQNVJXJJHGD-UHFFFAOYSA-N -1 2 294.247 1.376 20 0 CDADLM O=[P@@]([O-])(O)c1ccc(-c2cnc3[nH]ccc3c2)cc1 ZINC001240394848 945830795 /nfs/dbraw/zinc/83/07/95/945830795.db2.gz IWRBXCOQEFAAAL-UHFFFAOYSA-N -1 2 274.216 1.985 20 0 CDADLM O=[P@]([O-])(O)c1ccc(-c2cnc3[nH]ccc3c2)cc1 ZINC001240394848 945830809 /nfs/dbraw/zinc/83/08/09/945830809.db2.gz IWRBXCOQEFAAAL-UHFFFAOYSA-N -1 2 274.216 1.985 20 0 CDADLM C[C@H](SCc1nc(=O)c2sccc2[nH]1)C(=O)[O-] ZINC000036923106 948820422 /nfs/dbraw/zinc/82/04/22/948820422.db2.gz JCQCOXYQIXONPZ-YFKPBYRVSA-N -1 2 270.335 1.691 20 0 CDADLM Cc1n[nH]c(SCc2cncc(C(=O)[O-])c2)n1 ZINC000721520819 978115786 /nfs/dbraw/zinc/11/57/86/978115786.db2.gz COXQHLFHBZACCE-UHFFFAOYSA-N -1 2 250.283 1.499 20 0 CDADLM CN(C(=O)C(F)C(F)(F)F)[C@H](C(=O)[O-])c1cccnc1 ZINC001573850327 1170805416 /nfs/dbraw/zinc/80/54/16/1170805416.db2.gz IASINVHPNBLKJR-JGVFFNPUSA-N -1 2 294.204 1.566 20 0 CDADLM CN(C(=O)[C@@H](F)C(F)(F)F)[C@H](C(=O)[O-])c1cccnc1 ZINC001573850327 1170805421 /nfs/dbraw/zinc/80/54/21/1170805421.db2.gz IASINVHPNBLKJR-JGVFFNPUSA-N -1 2 294.204 1.566 20 0 CDADLM Cc1nsc(NC[C@@](C)(C(=O)[O-])c2ccccc2)n1 ZINC000650776780 398197132 /nfs/dbraw/zinc/19/71/32/398197132.db2.gz IRALPMRBEOXWJV-CYBMUJFWSA-N -1 2 277.349 1.723 20 0 CDADLM Cc1nc(=NC[C@@](C)(C(=O)[O-])c2ccccc2)s[nH]1 ZINC000650776780 398197139 /nfs/dbraw/zinc/19/71/39/398197139.db2.gz IRALPMRBEOXWJV-CYBMUJFWSA-N -1 2 277.349 1.723 20 0 CDADLM C[N@@H+](Cc1cc(O)cc(F)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000352001641 362759218 /nfs/dbraw/zinc/75/92/18/362759218.db2.gz GYRNAIOOBZAHFF-JTQLQIEISA-N -1 2 287.356 1.398 20 0 CDADLM O=C(C[NH2+]Cc1cccc(O)c1Cl)NC1CC1 ZINC000294062057 358704262 /nfs/dbraw/zinc/70/42/62/358704262.db2.gz KBUJBKAIVCDEII-UHFFFAOYSA-N -1 2 254.717 1.414 20 0 CDADLM Cc1nccnc1C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000639621583 364271981 /nfs/dbraw/zinc/27/19/81/364271981.db2.gz AMMLTHHJWCXMJQ-SNVBAGLBSA-N -1 2 275.312 1.253 20 0 CDADLM Cn1cc[nH+]c1[C@H]1N(C(=O)c2cncc(O)c2)CC1(C)C ZINC000296013170 371563033 /nfs/dbraw/zinc/56/30/33/371563033.db2.gz WLYMRMIMWDFPPB-GFCCVEGCSA-N -1 2 286.335 1.744 20 0 CDADLM CC[C@@H]1OCC[C@H]1NC(=O)c1cccc2[nH]nnc21 ZINC000572219727 377775763 /nfs/dbraw/zinc/77/57/63/377775763.db2.gz TWIUUVNYTYGAGR-KOLCDFICSA-N -1 2 260.297 1.255 20 0 CDADLM CCC(C)(C)CNC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000192226370 391057131 /nfs/dbraw/zinc/05/71/31/391057131.db2.gz XFLJVSRXLKSBDK-UHFFFAOYSA-N -1 2 276.340 1.840 20 0 CDADLM C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(O)cc(F)c1)CCO2 ZINC000279701635 391393214 /nfs/dbraw/zinc/39/32/14/391393214.db2.gz RFQKHKSAIIKNOP-XHDPSFHLSA-N -1 2 281.327 1.911 20 0 CDADLM C[C@H]1C[C@H](NC(=O)c2cc(F)c(O)c(F)c2)CC[N@@H+]1C ZINC000335826422 151053763 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COc1c(O)cccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001244994226 947535663 /nfs/dbraw/zinc/53/56/63/947535663.db2.gz XEKUILPVJBJUKT-UHFFFAOYSA-N -1 2 280.216 1.871 20 0 CDADLM O=C([O-])CC1(NC(=O)c2c(O)cc(F)cc2F)CCC1 ZINC001574675706 962560312 /nfs/dbraw/zinc/56/03/12/962560312.db2.gz YAMXVCMDSNPOAG-UHFFFAOYSA-N -1 2 285.246 1.798 20 0 CDADLM COc1ccccc1CCNC(=O)c1cccc2[nH]nnc21 ZINC000182666135 539142883 /nfs/dbraw/zinc/14/28/83/539142883.db2.gz HMCKHXMAFSDUBK-UHFFFAOYSA-N -1 2 296.330 1.939 20 0 CDADLM Cc1ccc(F)c(S(=O)(=O)NCCn2cc[nH+]c2)c1 ZINC000032405887 356778868 /nfs/dbraw/zinc/77/88/68/356778868.db2.gz IYJIHYUOMRPWFW-UHFFFAOYSA-N -1 2 283.328 1.309 20 0 CDADLM C[N@H+](CC(=O)[O-])C[C@@H]1C[NH+](CCC2CCCCC2)CCO1 ZINC000262910288 359197656 /nfs/dbraw/zinc/19/76/56/359197656.db2.gz QOQYEFHLBQWLIY-OAHLLOKOSA-N -1 2 298.427 1.674 20 0 CDADLM C[C@H](CN(C)C(=O)C(=O)N1CCCC(C)(C)CC1)C(=O)[O-] ZINC000331933999 204309032 /nfs/dbraw/zinc/30/90/32/204309032.db2.gz HTKJKMMTCYEWNW-LLVKDONJSA-N -1 2 298.383 1.204 20 0 CDADLM CC(C)Cc1nsc(N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC000578016194 372224355 /nfs/dbraw/zinc/22/43/55/372224355.db2.gz OKTVWLKDMIATHZ-DTWKUNHWSA-N -1 2 269.370 1.824 20 0 CDADLM COC[C@H](C)n1ccc(=NC(=O)c2cc(C(F)F)n[nH]2)[nH]1 ZINC000640134289 374281182 /nfs/dbraw/zinc/28/11/82/374281182.db2.gz COEZYKAWXAXVQH-ZETCQYMHSA-N -1 2 299.281 1.425 20 0 CDADLM C[NH+](C)[C@H](CNC(=O)c1cn[nH]n1)c1ccccc1Cl ZINC000193704261 391945978 /nfs/dbraw/zinc/94/59/78/391945978.db2.gz YEFMJIYATSNTGH-GFCCVEGCSA-N -1 2 293.758 1.491 20 0 CDADLM C[NH+](C)[C@H](CNC(=O)c1cnn[nH]1)c1ccccc1Cl ZINC000193704261 391945984 /nfs/dbraw/zinc/94/59/84/391945984.db2.gz YEFMJIYATSNTGH-GFCCVEGCSA-N -1 2 293.758 1.491 20 0 CDADLM CC[C@@H](C)C[C@@H](NS(=O)(=O)CC(F)(F)F)C(=O)[O-] ZINC000577507470 317345796 /nfs/dbraw/zinc/34/57/96/317345796.db2.gz CJRVZZQJVIRSQV-RNFRBKRXSA-N -1 2 291.291 1.358 20 0 CDADLM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])nn2)cc1 ZINC001600483303 1174488217 /nfs/dbraw/zinc/48/82/17/1174488217.db2.gz XPTSYGLGYPNTNC-UHFFFAOYSA-N -1 2 293.304 1.284 20 0 CDADLM C[C@@H](C(=O)[O-])N(C)C(=O)c1c(O)cc(F)cc1F ZINC000817757211 597469346 /nfs/dbraw/zinc/46/93/46/597469346.db2.gz OGMXZNJVYTZKGW-YFKPBYRVSA-N -1 2 259.208 1.216 20 0 CDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000864442857 1164542371 /nfs/dbraw/zinc/54/23/71/1164542371.db2.gz MBWCECWTDHAGPJ-LYFYHCNISA-N -1 2 289.275 1.110 20 0 CDADLM CCn1cc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cn1 ZINC001590951731 1173550167 /nfs/dbraw/zinc/55/01/67/1173550167.db2.gz JEJNECYTIDJJCX-SECBINFHSA-N -1 2 287.327 1.527 20 0 CDADLM CCn1cc([C@@H](C)NCc2ccc(-c3nn[nH]n3)o2)cn1 ZINC001590951731 1173550169 /nfs/dbraw/zinc/55/01/69/1173550169.db2.gz JEJNECYTIDJJCX-SECBINFHSA-N -1 2 287.327 1.527 20 0 CDADLM O=C([O-])[C@H]1CCN1C(=O)c1cccc(Cl)c1O ZINC001601836404 1175030398 /nfs/dbraw/zinc/03/03/98/1175030398.db2.gz GGFPCDJIGOCOCU-MRVPVSSYSA-N -1 2 255.657 1.345 20 0 CDADLM CC(C)C[C@H](CNc1cc[nH+]c(C(=O)[O-])n1)CC(=O)[O-] ZINC001603838705 1175651164 /nfs/dbraw/zinc/65/11/64/1175651164.db2.gz SHSDYEFSQCYCPX-VIFPVBQESA-N -1 2 281.312 1.146 20 0 CDADLM CC[C@H](C(=O)[O-])C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC001609893568 1165133858 /nfs/dbraw/zinc/13/38/58/1165133858.db2.gz XBNXYOLBZSNHLJ-JTQLQIEISA-N -1 2 288.307 1.829 20 0 CDADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccoc1 ZINC001610873708 1165470278 /nfs/dbraw/zinc/47/02/78/1165470278.db2.gz ZVALQXFCVYBOOG-UHFFFAOYSA-N -1 2 274.279 1.235 20 0 CDADLM CC[C@@H](COC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234331646 943804258 /nfs/dbraw/zinc/80/42/58/943804258.db2.gz IRKJVXYIZLJWRX-VIFPVBQESA-N -1 2 276.225 1.962 20 0 CDADLM CC[C@@H](COC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234331646 943804263 /nfs/dbraw/zinc/80/42/63/943804263.db2.gz IRKJVXYIZLJWRX-VIFPVBQESA-N -1 2 276.225 1.962 20 0 CDADLM Cc1ccc(-c2ccc([P@@](=O)([O-])O)cc2)c(CO)c1 ZINC001244491374 947400664 /nfs/dbraw/zinc/40/06/64/947400664.db2.gz KACGNWFNXIIIAH-UHFFFAOYSA-N -1 2 278.244 1.957 20 0 CDADLM Cc1ccc(-c2ccc([P@](=O)([O-])O)cc2)c(CO)c1 ZINC001244491374 947400673 /nfs/dbraw/zinc/40/06/73/947400673.db2.gz KACGNWFNXIIIAH-UHFFFAOYSA-N -1 2 278.244 1.957 20 0 CDADLM C[C@H](C(=O)[O-])N(C(=O)C(F)C(F)(F)F)C1CC1 ZINC001588582556 959270969 /nfs/dbraw/zinc/27/09/69/959270969.db2.gz LOGYPHRCELZGCV-INEUFUBQSA-N -1 2 257.183 1.351 20 0 CDADLM C[C@H](C(=O)[O-])N(C(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001588582556 959270986 /nfs/dbraw/zinc/27/09/86/959270986.db2.gz LOGYPHRCELZGCV-INEUFUBQSA-N -1 2 257.183 1.351 20 0 CDADLM Cc1n[nH]c(C)c1CCNC(=O)c1cccc2[nH]nnc21 ZINC000616027996 349256478 /nfs/dbraw/zinc/25/64/78/349256478.db2.gz AIFLBJWVLRWQDS-UHFFFAOYSA-N -1 2 284.323 1.270 20 0 CDADLM CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000348463395 360084441 /nfs/dbraw/zinc/08/44/41/360084441.db2.gz AUKOOXKNYHCDSP-VXGBXAGGSA-N -1 2 292.408 1.786 20 0 CDADLM O=c1[nH]nc([C@H]2CCC[N@@H+](C[C@@H]3CCCO3)C2)o1 ZINC000408458875 361138064 /nfs/dbraw/zinc/13/80/64/361138064.db2.gz VRZPHALLUHINRX-UWVGGRQHSA-N -1 2 253.302 1.134 20 0 CDADLM Cc1c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cnn1C ZINC000336834403 371705481 /nfs/dbraw/zinc/70/54/81/371705481.db2.gz QXYLFYYJUGOOIT-UHFFFAOYSA-N -1 2 295.320 1.228 20 0 CDADLM COc1cc[nH+]cc1CSc1nc2[nH]ncc2c(=O)[nH]1 ZINC000341346127 373570137 /nfs/dbraw/zinc/57/01/37/373570137.db2.gz FMIOESQPFXZEHF-UHFFFAOYSA-N -1 2 289.320 1.754 20 0 CDADLM Cc1ccc(NS(=O)(=O)c2cn[nH]c2)c(C(=O)[O-])c1 ZINC000037744826 374597293 /nfs/dbraw/zinc/59/72/93/374597293.db2.gz ILMGQHWORQCXIE-UHFFFAOYSA-N -1 2 281.293 1.217 20 0 CDADLM CCn1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cn1 ZINC000066575002 376500544 /nfs/dbraw/zinc/50/05/44/376500544.db2.gz RCQBYEOLOCOWTA-UHFFFAOYSA-N -1 2 295.320 1.402 20 0 CDADLM Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCOC[C@@H](C)C2)on1 ZINC000374366101 392170469 /nfs/dbraw/zinc/17/04/69/392170469.db2.gz MUVGCYZAOZHITO-ONGXEEELSA-N -1 2 267.329 1.278 20 0 CDADLM Cc1cncc(CC[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)n1 ZINC000649597049 397859244 /nfs/dbraw/zinc/85/92/44/397859244.db2.gz UWHMFUPKFRWIBT-NSHDSACASA-N -1 2 289.339 1.296 20 0 CDADLM Cc1oncc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000350298117 154362429 /nfs/dbraw/zinc/36/24/29/154362429.db2.gz CDXJGELDYNQBBM-UHFFFAOYSA-N -1 2 296.304 1.790 20 0 CDADLM Cn1nccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000044593612 175214658 /nfs/dbraw/zinc/21/46/58/175214658.db2.gz AFBMFGYNSNSHIX-UHFFFAOYSA-N -1 2 299.283 1.058 20 0 CDADLM CCN(C(=O)c1cc(F)c(O)c(F)c1)[C@@H](C)C(=O)[O-] ZINC000659769766 424499388 /nfs/dbraw/zinc/49/93/88/424499388.db2.gz KKZRYKFGYYHQCJ-LURJTMIESA-N -1 2 273.235 1.606 20 0 CDADLM CC(C)(NC(=O)c1cc(F)cc(Cl)c1O)C(=O)[O-] ZINC001590858907 1173531720 /nfs/dbraw/zinc/53/17/20/1173531720.db2.gz WMZYXXYICHCFAL-UHFFFAOYSA-N -1 2 275.663 1.778 20 0 CDADLM CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(O)c(F)c1 ZINC000681049128 482671461 /nfs/dbraw/zinc/67/14/61/482671461.db2.gz XDFMRZBSZHJUGC-CYBMUJFWSA-N -1 2 280.343 1.944 20 0 CDADLM CO[C@@H](C)c1cc(=O)n(-c2ccccc2C(=O)[O-])[nH]1 ZINC000899348798 622202787 /nfs/dbraw/zinc/20/27/87/622202787.db2.gz KPFLFVZCJSPUMW-QMMMGPOBSA-N -1 2 262.265 1.512 20 0 CDADLM C[C@@H](C(=O)[O-])C1(NS(=O)(=O)[C@H](C)C(F)(F)F)CC1 ZINC000844817355 678782817 /nfs/dbraw/zinc/78/28/17/678782817.db2.gz FGBYTJUUKRYZDP-NTSWFWBYSA-N -1 2 289.275 1.110 20 0 CDADLM CN(C(=O)C(F)C(F)(F)F)C(C)(C)CC(=O)[O-] ZINC001610089388 1165212759 /nfs/dbraw/zinc/21/27/59/1165212759.db2.gz DUJYGCKTRJJUIW-LURJTMIESA-N -1 2 259.199 1.599 20 0 CDADLM CN(C(=O)[C@H](F)C(F)(F)F)C(C)(C)CC(=O)[O-] ZINC001610089388 1165212766 /nfs/dbraw/zinc/21/27/66/1165212766.db2.gz DUJYGCKTRJJUIW-LURJTMIESA-N -1 2 259.199 1.599 20 0 CDADLM O=C([O-])C[C@@H](CNc1ccc(C(=O)[O-])c[nH+]1)C1CC1 ZINC001601896554 1175056685 /nfs/dbraw/zinc/05/66/85/1175056685.db2.gz JLLFSFHFJPHULN-JTQLQIEISA-N -1 2 264.281 1.693 20 0 CDADLM O=C([O-])C1(NC(=O)C(F)C(F)(F)F)CCCCC1 ZINC001601430206 970994517 /nfs/dbraw/zinc/99/45/17/970994517.db2.gz URNGGWIACUCTGD-ZCFIWIBFSA-N -1 2 271.210 1.791 20 0 CDADLM O=C([O-])C1(NC(=O)[C@@H](F)C(F)(F)F)CCCCC1 ZINC001601430206 970994523 /nfs/dbraw/zinc/99/45/23/970994523.db2.gz URNGGWIACUCTGD-ZCFIWIBFSA-N -1 2 271.210 1.791 20 0 CDADLM Cc1nccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001260221621 945810855 /nfs/dbraw/zinc/81/08/55/945810855.db2.gz ZKJPGRUJKMKCQM-UHFFFAOYSA-N -1 2 293.304 1.284 20 0 CDADLM CCO[C@H](C)n1cc(-c2ccc([P@@](=O)([O-])O)cc2)cn1 ZINC001240760128 946017655 /nfs/dbraw/zinc/01/76/55/946017655.db2.gz UBGJBGPGNYSYRW-SNVBAGLBSA-N -1 2 296.263 1.908 20 0 CDADLM CCO[C@H](C)n1cc(-c2ccc([P@](=O)([O-])O)cc2)cn1 ZINC001240760128 946017662 /nfs/dbraw/zinc/01/76/62/946017662.db2.gz UBGJBGPGNYSYRW-SNVBAGLBSA-N -1 2 296.263 1.908 20 0 CDADLM Nc1ncccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001243476601 947128780 /nfs/dbraw/zinc/12/87/80/947128780.db2.gz DOFZAOVSYYAZLR-UHFFFAOYSA-N -1 2 250.194 1.134 20 0 CDADLM Nc1ncccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001243476601 947128784 /nfs/dbraw/zinc/12/87/84/947128784.db2.gz DOFZAOVSYYAZLR-UHFFFAOYSA-N -1 2 250.194 1.134 20 0 CDADLM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2c(O)cc(F)cc2F)C1 ZINC001589272650 953426426 /nfs/dbraw/zinc/42/64/26/953426426.db2.gz OHNDMAKYHNTYQK-YUMQZZPRSA-N -1 2 299.273 1.853 20 0 CDADLM CC(C)[C@@H](NC(=O)c1cccc(Cl)c1O)C(=O)[O-] ZINC001603091778 972164864 /nfs/dbraw/zinc/16/48/64/972164864.db2.gz CATAERCARGLKOO-SECBINFHSA-N -1 2 271.700 1.885 20 0 CDADLM O=C([O-])c1ccc(NC(=O)c2cccc(Cl)c2O)nn1 ZINC001571052514 960692416 /nfs/dbraw/zinc/69/24/16/960692416.db2.gz LHBOKNSXGBKIDD-UHFFFAOYSA-N -1 2 293.666 1.786 20 0 CDADLM CCCS(=O)(=O)Nc1nc(CC)c(C(=O)[O-])s1 ZINC001595986540 983231659 /nfs/dbraw/zinc/23/16/59/983231659.db2.gz WMPYMEFATSMJGR-UHFFFAOYSA-N -1 2 278.355 1.555 20 0 CDADLM C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001599852819 989040381 /nfs/dbraw/zinc/04/03/81/989040381.db2.gz FHSRJUOCIZTTPE-HSUXUTPPSA-N -1 2 257.183 1.066 20 0 CDADLM C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001599852819 989040389 /nfs/dbraw/zinc/04/03/89/989040389.db2.gz FHSRJUOCIZTTPE-HSUXUTPPSA-N -1 2 257.183 1.066 20 0 CDADLM O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc(O)cc(F)c2)C1 ZINC000274452992 365670763 /nfs/dbraw/zinc/67/07/63/365670763.db2.gz FQXBNZSHIZKTJA-ZDUSSCGKSA-N -1 2 293.342 1.567 20 0 CDADLM C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[nH]1 ZINC000331485505 362274539 /nfs/dbraw/zinc/27/45/39/362274539.db2.gz BLSGPNPUZBLMRE-WDMOLILDSA-N -1 2 280.372 1.416 20 0 CDADLM CC(C)OCCS(=O)(=O)[N-]c1ccc(F)c(F)c1O ZINC000414386850 363087657 /nfs/dbraw/zinc/08/76/57/363087657.db2.gz VFFQMLXZGSYQLL-UHFFFAOYSA-N -1 2 295.307 1.837 20 0 CDADLM CC(C)C[C@H](CN=c1nc(C(C)(C)C)o[nH]1)C(=O)[O-] ZINC000424374852 360026711 /nfs/dbraw/zinc/02/67/11/360026711.db2.gz LUDLLUJOCKGLSG-SECBINFHSA-N -1 2 269.345 1.948 20 0 CDADLM CC[C@@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)CC(=O)[O-] ZINC000548589365 393330181 /nfs/dbraw/zinc/33/01/81/393330181.db2.gz NWGTVMIXLLLWAK-NKWVEPMBSA-N -1 2 291.291 1.358 20 0 CDADLM Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000225630831 140177088 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295.320 1.402 20 0 CDADLM C[C@@H](CC1CC1)NC(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000119248917 147309681 /nfs/dbraw/zinc/30/96/81/147309681.db2.gz SZQGFIUXHRFKQD-QMMMGPOBSA-N -1 2 274.324 1.592 20 0 CDADLM C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000334241171 149383952 /nfs/dbraw/zinc/38/39/52/149383952.db2.gz MXTQBOAMZPNKNQ-PELKAZGASA-N -1 2 295.289 1.262 20 0 CDADLM O=c1[nH]nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)o1 ZINC000284350060 196035972 /nfs/dbraw/zinc/03/59/72/196035972.db2.gz RXONFCQJJCEVRK-NSHDSACASA-N -1 2 260.297 1.138 20 0 CDADLM CC[C@@H](Nc1cc(N[C@H](CC)C(=O)[O-])[nH+]cn1)C(=O)[O-] ZINC000662879130 413647536 /nfs/dbraw/zinc/64/75/36/413647536.db2.gz DHUCDPXZIGETPW-HTQZYQBOSA-N -1 2 282.300 1.027 20 0 CDADLM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(F)cc(Cl)c1O ZINC000817756968 597265998 /nfs/dbraw/zinc/26/59/98/597265998.db2.gz GOPNBEIHRTUWLG-YFKPBYRVSA-N -1 2 275.663 1.730 20 0 CDADLM C[C@H](CN(C)C(=O)c1cc(F)cc(Cl)c1O)C(=O)[O-] ZINC000827436725 601387422 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O=C(CCc1[nH]cc[nH+]1)NOCc1ccc(F)cc1 ZINC000807245272 774706592 /nfs/dbraw/zinc/70/65/92/774706592.db2.gz AIZWRDWQSQUPJK-UHFFFAOYSA-N -1 2 263.272 1.729 20 0 CDADLM CC(C)(NC(=O)C(F)(F)F)C(=O)[N-]Oc1ccccc1 ZINC000816685470 775016482 /nfs/dbraw/zinc/01/64/82/775016482.db2.gz RCBBDMOAMYCGOQ-UHFFFAOYSA-N -1 2 290.241 1.554 20 0 CDADLM CC[C@H](CCNC(=O)C(F)(F)F)[N-]C(=O)C(F)(F)F ZINC000849371496 776059145 /nfs/dbraw/zinc/05/91/45/776059145.db2.gz XIIDSUAIJIKVHD-RXMQYKEDSA-N -1 2 294.195 1.512 20 0 CDADLM C[N@H+]1CC[C@H]1CNS(=O)(=O)c1cccc(Cl)c1F ZINC000921415196 777878979 /nfs/dbraw/zinc/87/89/79/777878979.db2.gz HBTOEWIGYHRTEL-QMMMGPOBSA-N -1 2 292.763 1.462 20 0 CDADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cscn1 ZINC001185877757 919801663 /nfs/dbraw/zinc/80/16/63/919801663.db2.gz SSOZAXUCVVGIID-UHFFFAOYSA-N -1 2 298.345 1.951 20 0 CDADLM C[C@H]1CCc2c1n[nH]c2C(=O)NCc1ncccc1O ZINC001198462254 925428914 /nfs/dbraw/zinc/42/89/14/925428914.db2.gz HYJGUNBFAVELNW-QMMMGPOBSA-N -1 2 272.308 1.490 20 0 CDADLM CCn1nccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198730101 925504574 /nfs/dbraw/zinc/50/45/74/925504574.db2.gz GUFQSOOPMVMCAB-UHFFFAOYSA-N -1 2 295.320 1.402 20 0 CDADLM CC(C)(C)[N@@H+](Cc1c(F)cc(O)cc1F)C[C@@H](O)CO ZINC001144544896 931881973 /nfs/dbraw/zinc/88/19/73/931881973.db2.gz KPADVDRSFGDQRQ-SNVBAGLBSA-N -1 2 289.322 1.624 20 0 CDADLM COC(=O)c1nc2ccc(-c3cncc(C(=O)[O-])c3)[nH]c-2n1 ZINC001241802000 946476446 /nfs/dbraw/zinc/47/64/46/946476446.db2.gz GICPQDPVWSCKHD-UHFFFAOYSA-N -1 2 298.258 1.505 20 0 CDADLM Cc1cc(F)ncc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001243760551 947200278 /nfs/dbraw/zinc/20/02/78/947200278.db2.gz SJHFZGRFELKTFC-UHFFFAOYSA-N -1 2 267.196 1.999 20 0 CDADLM Cc1cc(F)ncc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001243760551 947200288 /nfs/dbraw/zinc/20/02/88/947200288.db2.gz SJHFZGRFELKTFC-UHFFFAOYSA-N -1 2 267.196 1.999 20 0 CDADLM Cc1c(F)nccc1-c1ccc([P@@](=O)([O-])O)cc1 ZINC001243780677 947207450 /nfs/dbraw/zinc/20/74/50/947207450.db2.gz DGPGUOSXBNUKBH-UHFFFAOYSA-N -1 2 267.196 1.999 20 0 CDADLM Cc1c(F)nccc1-c1ccc([P@](=O)([O-])O)cc1 ZINC001243780677 947207464 /nfs/dbraw/zinc/20/74/64/947207464.db2.gz DGPGUOSXBNUKBH-UHFFFAOYSA-N -1 2 267.196 1.999 20 0 CDADLM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2O)[nH]n1 ZINC001595209581 952358427 /nfs/dbraw/zinc/35/84/27/952358427.db2.gz PQQJJVBTEXKKGX-UHFFFAOYSA-N -1 2 281.655 1.719 20 0 CDADLM C[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589320067 953853104 /nfs/dbraw/zinc/85/31/04/953853104.db2.gz AADLARKFVDWHQS-FSDSQADBSA-N -1 2 271.210 1.599 20 0 CDADLM C[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589320067 953853126 /nfs/dbraw/zinc/85/31/26/953853126.db2.gz AADLARKFVDWHQS-FSDSQADBSA-N -1 2 271.210 1.599 20 0 CDADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cn[nH]c2)c1C ZINC000035732281 957222566 /nfs/dbraw/zinc/22/25/66/957222566.db2.gz WSGGOLDAYQFXOB-UHFFFAOYSA-N -1 2 295.320 1.526 20 0 CDADLM CCCS(=O)(=O)Nc1nc(C(=O)[O-])c(C2CC2)s1 ZINC001595986497 983231687 /nfs/dbraw/zinc/23/16/87/983231687.db2.gz 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HCKGZLWKQWMWGW-SECBINFHSA-N -1 2 285.369 1.375 20 0 CDADLM C[NH+](C)[C@@H](CNC(=O)c1cn[nH]n1)c1ccccc1Cl ZINC000193704253 391945889 /nfs/dbraw/zinc/94/58/89/391945889.db2.gz YEFMJIYATSNTGH-LBPRGKRZSA-N -1 2 293.758 1.491 20 0 CDADLM C[NH+](C)[C@@H](CNC(=O)c1cnn[nH]1)c1ccccc1Cl ZINC000193704253 391945896 /nfs/dbraw/zinc/94/58/96/391945896.db2.gz YEFMJIYATSNTGH-LBPRGKRZSA-N -1 2 293.758 1.491 20 0 CDADLM O=C(NC[C@@H]1CCCC[C@H]1O)c1cccc2[nH]nnc21 ZINC000182793767 323301956 /nfs/dbraw/zinc/30/19/56/323301956.db2.gz IBATZSYPWYJVLG-JOYOIKCWSA-N -1 2 274.324 1.239 20 0 CDADLM C[C@H](C[C@H]1CCOC1)NC(=O)c1cccc2[nH]nnc21 ZINC000682162942 483154545 /nfs/dbraw/zinc/15/45/45/483154545.db2.gz HHKNFJYUSMJWGV-NXEZZACHSA-N -1 2 274.324 1.503 20 0 CDADLM O=C([N-][C@H](CNC(=O)C(F)(F)F)C1CC1)C(F)(F)F ZINC000725896566 574459454 /nfs/dbraw/zinc/45/94/54/574459454.db2.gz LSXFNOQRZNWFBG-RXMQYKEDSA-N -1 2 292.179 1.122 20 0 CDADLM Cn1cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000739036103 576153149 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O=[P@]([O-])(O)c1ccc(NC2(C3CCOCC3)CC2)cc1 ZINC001167748257 899991087 /nfs/dbraw/zinc/99/10/87/899991087.db2.gz GFOSQYYPBIQNHR-UHFFFAOYSA-N -1 2 297.291 1.861 20 0 CDADLM O=S(=O)(CC(F)(F)F)[N-]c1c(O)cc(F)cc1F ZINC001253183674 929848290 /nfs/dbraw/zinc/84/82/90/929848290.db2.gz OADKVJOKDNGTBY-UHFFFAOYSA-N -1 2 291.197 1.974 20 0 CDADLM CC(=CC(=O)OC(C)C)Nc1ccc([P@@](=O)([O-])O)cc1 ZINC001166770659 939637770 /nfs/dbraw/zinc/63/77/70/939637770.db2.gz IULDKJDRSNMEGM-NTMALXAHSA-N -1 2 299.263 1.757 20 0 CDADLM CC(=CC(=O)OC(C)C)Nc1ccc([P@](=O)([O-])O)cc1 ZINC001166770659 939637771 /nfs/dbraw/zinc/63/77/71/939637771.db2.gz IULDKJDRSNMEGM-NTMALXAHSA-N -1 2 299.263 1.757 20 0 CDADLM CC[NH+]1CC(Oc2cc(C(F)(F)F)[nH]c(=S)n2)C1 ZINC001225852267 941920139 /nfs/dbraw/zinc/92/01/39/941920139.db2.gz DELHUCLZKHUYOW-UHFFFAOYSA-N -1 2 279.287 1.867 20 0 CDADLM COc1cncc(-c2ccc([P@@](=O)([O-])O)cc2)c1C ZINC001236391523 944489868 /nfs/dbraw/zinc/48/98/68/944489868.db2.gz IXBQJZKEIWLZDI-UHFFFAOYSA-N -1 2 279.232 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CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000330496549 376199201 /nfs/dbraw/zinc/19/92/01/376199201.db2.gz YIFXESXEVUFHLY-QWRGUYRKSA-N -1 2 296.371 1.115 20 0 CDADLM CSCCC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377486983 371550558 /nfs/dbraw/zinc/55/05/58/371550558.db2.gz VYNOKBJZXFFASD-VIFPVBQESA-N -1 2 256.375 1.443 20 0 CDADLM COc1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)c(O)c1 ZINC000135405168 378209677 /nfs/dbraw/zinc/20/96/77/378209677.db2.gz JAJDGMJBZUHQHH-SNVBAGLBSA-N -1 2 296.392 1.777 20 0 CDADLM Cn1ncc2c1[nH]cc(C(=O)N1CCC(CF)CC1)c2=O ZINC000452592671 252106203 /nfs/dbraw/zinc/10/62/03/252106203.db2.gz DZMHKSHCTPFGFH-UHFFFAOYSA-N -1 2 292.314 1.496 20 0 CDADLM CCC(C)(C)N(C)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000358374652 390607138 /nfs/dbraw/zinc/60/71/38/390607138.db2.gz TUOAKGULKZMSSB-UHFFFAOYSA-N -1 2 276.340 1.935 20 0 CDADLM C[C@@H]1CCN(c2ccc(C(=O)[O-])c[nH+]2)C[C@H]1C(=O)[O-] ZINC000647457184 390962933 /nfs/dbraw/zinc/96/29/33/390962933.db2.gz 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