smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@@H]1NC(=O)c2ccccc21)c1cc(O)c([O-])c(O)c1 ZINC001148590158 768021729 /nfs/dbraw/zinc/02/17/29/768021729.db2.gz XYLFZGRMQLFIJV-CYBMUJFWSA-N -1 3 300.270 0.975 20 10 DCCDHM [O-]c1cccc(F)c1CN1CCN(CCN2CCOCC2)CC1 ZINC001137837425 768392648 /nfs/dbraw/zinc/39/26/48/768392648.db2.gz GJNCMOJQELLDDY-UHFFFAOYSA-N -1 3 323.412 0.981 20 10 DCCDHM O=C1COC[C@H]2CN(Cc3cc(Cl)c([O-])cc3O)CCN12 ZINC001232262544 769303069 /nfs/dbraw/zinc/30/30/69/769303069.db2.gz ITFFCKMLIIBKNM-SNVBAGLBSA-N -1 3 312.753 0.794 20 10 DCCDHM Nc1cc(S(=O)(=O)[N-]c2ccc(O)c(CO)c2)ccc1O ZINC001216140582 774105379 /nfs/dbraw/zinc/10/53/79/774105379.db2.gz KUAUOJNFSQSBAA-UHFFFAOYSA-N -1 3 310.331 0.973 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](CO)C2)c1 ZINC001254026893 946224301 /nfs/dbraw/zinc/22/43/01/946224301.db2.gz BJXSHCCMPIZZLM-VIFPVBQESA-N -1 3 314.363 0.218 20 10 DCCDHM CN(C)C(=O)CN1C[C@H]2C[C@@H](C1)N2Cc1cc(F)ccc1[O-] ZINC001275909428 952517618 /nfs/dbraw/zinc/51/76/18/952517618.db2.gz YUTLQORFAJJZAT-OKILXGFUSA-N -1 3 307.369 0.878 20 10 DCCDHM O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1c([O-])cccc1F ZINC001354285644 956337409 /nfs/dbraw/zinc/33/74/09/956337409.db2.gz ZTMWDQDADYDFFR-VIFPVBQESA-N -1 3 301.339 0.972 20 10 DCCDHM O=C(c1cccc(O)c1[O-])N1CCS(=O)(=O)[C@H]2CCC[C@H]21 ZINC001468069816 1016220556 /nfs/dbraw/zinc/22/05/56/1016220556.db2.gz DPFLVCXYCCSOKK-PWSUYJOCSA-N -1 3 311.359 0.890 20 10 DCCDHM CCNC(=O)N1CC[C@H](NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272552020 130039920 /nfs/dbraw/zinc/03/99/20/130039920.db2.gz BBERMLOCHBQDFA-JTQLQIEISA-N -1 3 307.350 0.940 20 10 DCCDHM Cc1ccc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c([O-])c1O ZINC000271294941 395855622 /nfs/dbraw/zinc/85/56/22/395855622.db2.gz QYILOBKOUYTMEA-LBPRGKRZSA-N -1 3 324.377 0.171 20 10 DCCDHM CCCNC(=O)CN(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000109769448 395798700 /nfs/dbraw/zinc/79/87/00/395798700.db2.gz YBPKMVNYMRECQY-UHFFFAOYSA-N -1 3 307.394 0.809 20 10 DCCDHM COCc1nc2n(n1)C[C@H](NC(=O)c1cccc(O)c1[O-])CC2 ZINC000279432102 396174852 /nfs/dbraw/zinc/17/48/52/396174852.db2.gz ZGPSNUPGRPVYTB-SECBINFHSA-N -1 3 318.333 0.581 20 10 DCCDHM CC(C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000267122970 519359499 /nfs/dbraw/zinc/35/94/99/519359499.db2.gz DPFMYFKDUADYNH-UHFFFAOYSA-N -1 3 302.352 0.264 20 10 DCCDHM NC(=O)[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000862237330 667032795 /nfs/dbraw/zinc/03/27/95/667032795.db2.gz MROOFXCDDOUFJI-NSHDSACASA-N -1 3 315.167 0.841 20 10 DCCDHM CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cc(F)cc(F)c1[O-] ZINC000708495511 667444043 /nfs/dbraw/zinc/44/40/43/667444043.db2.gz DBIAXISGLBAUKB-GHMZBOCLSA-N -1 3 307.318 0.572 20 10 DCCDHM COCCS(=O)(=O)CC(=O)NCc1c([O-])cccc1F ZINC000928712704 668617028 /nfs/dbraw/zinc/61/70/28/668617028.db2.gz WUDVINHEPVPKKB-UHFFFAOYSA-N -1 3 305.327 0.209 20 10 DCCDHM NS(=O)(=O)CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790638690 669563084 /nfs/dbraw/zinc/56/30/84/669563084.db2.gz BMWIIGRWLSYACK-UHFFFAOYSA-N -1 3 314.363 0.239 20 10 DCCDHM CCOC(=O)Cn1cnc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000819739949 671136723 /nfs/dbraw/zinc/13/67/23/671136723.db2.gz OPQUAZHTRYDTDL-UHFFFAOYSA-N -1 3 320.305 0.813 20 10 DCCDHM CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000837138449 671846804 /nfs/dbraw/zinc/84/68/04/671846804.db2.gz VYXCKBPWDGSVPT-SNVBAGLBSA-N -1 3 307.350 0.974 20 10 DCCDHM CN(C)C(=O)N[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000837138447 671846948 /nfs/dbraw/zinc/84/69/48/671846948.db2.gz VYXCKBPWDGSVPT-JTQLQIEISA-N -1 3 307.350 0.974 20 10 DCCDHM CC(=O)C(=O)COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588782852 1166589821 /nfs/dbraw/zinc/58/98/21/1166589821.db2.gz YDYYNZZVYFTVCY-SECBINFHSA-N -1 3 318.289 0.335 20 10 DCCDHM CC(=O)C(=O)COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588782852 1166589826 /nfs/dbraw/zinc/58/98/26/1166589826.db2.gz YDYYNZZVYFTVCY-SECBINFHSA-N -1 3 318.289 0.335 20 10 DCCDHM CC[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465359 1166917951 /nfs/dbraw/zinc/91/79/51/1166917951.db2.gz GZNLPYIHIYLPAH-BXKDBHETSA-N -1 3 316.365 0.749 20 10 DCCDHM O=C(NCc1cc(O)ccc1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001593122301 1167714348 /nfs/dbraw/zinc/71/43/48/1167714348.db2.gz ANLMCDDWMQPWOR-UHFFFAOYSA-N -1 3 300.278 0.536 20 10 DCCDHM O=C(NCc1cc(O)ccc1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001593122301 1167714356 /nfs/dbraw/zinc/71/43/56/1167714356.db2.gz ANLMCDDWMQPWOR-UHFFFAOYSA-N -1 3 300.278 0.536 20 10 DCCDHM CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604057028 1169483158 /nfs/dbraw/zinc/48/31/58/1169483158.db2.gz ZBUUZPRVTJVTHP-CABZTGNLSA-N -1 3 316.365 0.844 20 10 DCCDHM C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604336376 1169555645 /nfs/dbraw/zinc/55/56/45/1169555645.db2.gz FRMWCBMFRQHJLA-MEDUHNTESA-N -1 3 324.377 0.434 20 10 DCCDHM CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604872685 1169721482 /nfs/dbraw/zinc/72/14/82/1169721482.db2.gz SPOGGJNYTSNWRH-SECBINFHSA-N -1 3 318.381 0.995 20 10 DCCDHM Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc(O)c(O)c1 ZINC001628270039 1171523404 /nfs/dbraw/zinc/52/34/04/1171523404.db2.gz MUJGFMCUSFRNGZ-TZNOJPMFSA-N -1 3 303.318 0.739 20 10 DCCDHM COC1(c2cnnn2C)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC001637209036 1171760683 /nfs/dbraw/zinc/76/06/83/1171760683.db2.gz WPEXUKBFXBVYHC-UHFFFAOYSA-N -1 3 304.306 0.224 20 10 DCCDHM Cn1nnnc1CCCNC(=O)NCc1c([O-])cccc1F ZINC001685734910 1176040570 /nfs/dbraw/zinc/04/05/70/1176040570.db2.gz JMBYXMBFYGEFRY-UHFFFAOYSA-N -1 3 308.317 0.487 20 10 DCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@@H](CO)CC(F)(F)C1 ZINC001148583319 768020198 /nfs/dbraw/zinc/02/01/98/768020198.db2.gz XZTGGZXLPPGWHX-ZETCQYMHSA-N -1 3 303.261 0.893 20 10 DCCDHM CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583057 768020403 /nfs/dbraw/zinc/02/04/03/768020403.db2.gz RANPSKYSNJEWBX-BJOHPYRUSA-N -1 3 307.302 0.971 20 10 DCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCN(c2cccnn2)CC1 ZINC001148584004 768020411 /nfs/dbraw/zinc/02/04/11/768020411.db2.gz KIYKKXFXJNHHMQ-UHFFFAOYSA-N -1 3 316.317 0.556 20 10 DCCDHM CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1c([O-])cccc1Cl ZINC000697286123 765473780 /nfs/dbraw/zinc/47/37/80/765473780.db2.gz IAHRBHQEODVYKR-JQWIXIFHSA-N -1 3 305.783 0.947 20 10 DCCDHM O=C(NCc1c([O-])cccc1F)C1CCS(=O)(=O)CC1 ZINC001120080425 766895826 /nfs/dbraw/zinc/89/58/26/766895826.db2.gz YOIIGRPBRWRIGY-UHFFFAOYSA-N -1 3 301.339 0.972 20 10 DCCDHM COc1cc([O-])c(CN2CCO[C@@H](C(N)=O)C2)c(Cl)c1 ZINC001236803528 770019590 /nfs/dbraw/zinc/01/95/90/770019590.db2.gz OUAGIROIVCXVKY-GFCCVEGCSA-N -1 3 300.742 0.740 20 10 DCCDHM Cc1oncc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001187324522 772166488 /nfs/dbraw/zinc/16/64/88/772166488.db2.gz QSOCOVZOOJHQBH-LLVKDONJSA-N -1 3 314.319 0.406 20 10 DCCDHM CN1CCC(CO)(NC(=O)c2cc(O)c([O-])c(Cl)c2)CC1 ZINC001193635423 773093024 /nfs/dbraw/zinc/09/30/24/773093024.db2.gz TZGGEHIHXXVOQA-UHFFFAOYSA-N -1 3 314.769 0.938 20 10 DCCDHM CO[C@@H](C(=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001593907057 955933001 /nfs/dbraw/zinc/93/30/01/955933001.db2.gz QBLCYUULGBVJFI-UONOGXRCSA-N -1 3 323.393 0.571 20 10 DCCDHM O=C(N[C@@H](CO)[C@@H](O)c1cccnc1)c1cccc(O)c1[O-] ZINC001471072353 1016524877 /nfs/dbraw/zinc/52/48/77/1016524877.db2.gz XQKVJCLZTQSSJS-AAEUAGOBSA-N -1 3 304.302 0.317 20 10 DCCDHM COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1cccc(O)c1[O-] ZINC001471780132 1016646989 /nfs/dbraw/zinc/64/69/89/1016646989.db2.gz FXOVDENPWDUIFL-KOLCDFICSA-N -1 3 309.318 0.938 20 10 DCCDHM Cc1ccc(C(=O)NCC2(CS(C)(=O)=O)CC2)c([O-])c1O ZINC000272753220 130061859 /nfs/dbraw/zinc/06/18/59/130061859.db2.gz OSTCJTSTCPSGQN-UHFFFAOYSA-N -1 3 313.375 0.961 20 10 DCCDHM CCS(=O)(=O)NCCCNC(=O)c1cccc(O)c1[O-] ZINC000275006661 130283657 /nfs/dbraw/zinc/28/36/57/130283657.db2.gz PBXRSRVEPLVTBU-UHFFFAOYSA-N -1 3 302.352 0.157 20 10 DCCDHM CO[C@@H](C)CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000286625392 131243968 /nfs/dbraw/zinc/24/39/68/131243968.db2.gz UVSMDRDLTIQOCJ-VIFPVBQESA-N -1 3 316.379 0.871 20 10 DCCDHM COc1c([O-])c(CN[C@@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278868483 396140469 /nfs/dbraw/zinc/14/04/69/396140469.db2.gz MQSUWAQJTNLJIZ-QMMMGPOBSA-N -1 3 318.351 0.832 20 10 DCCDHM CCCOc1ccc(CN2CCN(CC(N)=O)CC2)c([O-])c1 ZINC000179836287 396230025 /nfs/dbraw/zinc/23/00/25/396230025.db2.gz VKXJUXMEJQPQHU-UHFFFAOYSA-N -1 3 307.394 0.784 20 10 DCCDHM CNC(=O)[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCO1 ZINC000184085847 396285599 /nfs/dbraw/zinc/28/55/99/396285599.db2.gz UZGOEZLPUQQAKO-ZDUSSCGKSA-N -1 3 310.325 0.681 20 10 DCCDHM CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(C)c(O)c2[O-])C1=O ZINC000293003111 396581875 /nfs/dbraw/zinc/58/18/75/396581875.db2.gz SXOYJGGHQAGKOF-CQSZACIVSA-N -1 3 307.306 0.772 20 10 DCCDHM CC[C@@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000267117470 523671110 /nfs/dbraw/zinc/67/11/10/523671110.db2.gz CPQHEYNMDQVDMG-CYBMUJFWSA-N -1 3 316.379 0.655 20 10 DCCDHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C1=CC(=O)CS1 ZINC000890535024 657609238 /nfs/dbraw/zinc/60/92/38/657609238.db2.gz JOLSRBFYKLBTSY-QMMMGPOBSA-N -1 3 306.347 0.958 20 10 DCCDHM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])[C@@H]1CN(C)CCN1C ZINC000896545493 662286113 /nfs/dbraw/zinc/28/61/13/662286113.db2.gz MYWFRVGXEXRUBV-ONGXEEELSA-N -1 3 311.357 0.601 20 10 DCCDHM CCN1C[C@@H](S(=O)(=O)NCc2c([O-])cccc2F)CC1=O ZINC000921451907 665305271 /nfs/dbraw/zinc/30/52/71/665305271.db2.gz YKGNJIIWTKFIPH-VIFPVBQESA-N -1 3 316.354 0.572 20 10 DCCDHM COCCOCCS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452644 665305322 /nfs/dbraw/zinc/30/53/22/665305322.db2.gz VBJWTVWRPNZLDH-UHFFFAOYSA-N -1 3 307.343 0.614 20 10 DCCDHM CS(=O)(=O)C[C@H](O)CNCc1c([O-])ccc(Cl)c1F ZINC000922823852 666532372 /nfs/dbraw/zinc/53/23/72/666532372.db2.gz OGKDXCASMKRQBJ-SSDOTTSWSA-N -1 3 311.762 0.680 20 10 DCCDHM COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1cccc(O)c1[O-] ZINC000869990965 667694670 /nfs/dbraw/zinc/69/46/70/667694670.db2.gz BIDDBEKJUSAWRX-BJOHPYRUSA-N -1 3 309.318 0.890 20 10 DCCDHM CO[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000752819760 668022588 /nfs/dbraw/zinc/02/25/88/668022588.db2.gz CKUOKCSWPUFYHO-SNVBAGLBSA-N -1 3 314.363 0.625 20 10 DCCDHM COC(=O)C1(O)CN(Cc2ccc(Br)cc2[O-])C1 ZINC000877770005 668647202 /nfs/dbraw/zinc/64/72/02/668647202.db2.gz RWXRZJZLLDQPFT-UHFFFAOYSA-N -1 3 316.151 0.874 20 10 DCCDHM CN(CCS(N)(=O)=O)Cc1ccc(Br)cc1[O-] ZINC000877826199 668651834 /nfs/dbraw/zinc/65/18/34/668651834.db2.gz TUVVZVFOOZOFGS-UHFFFAOYSA-N -1 3 323.212 0.875 20 10 DCCDHM CN(Cc1cn[nH]c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769859760 668668063 /nfs/dbraw/zinc/66/80/63/668668063.db2.gz SBTLPDJOJJVICU-UHFFFAOYSA-N -1 3 324.362 0.759 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(CO)CC2)c1 ZINC000771039591 668727235 /nfs/dbraw/zinc/72/72/35/668727235.db2.gz XSNAPTGUKXSNPQ-UHFFFAOYSA-N -1 3 314.363 0.266 20 10 DCCDHM COc1ncc(NC(=O)c2cccc(O)c2[O-])cc1C(N)=O ZINC000790895220 669581261 /nfs/dbraw/zinc/58/12/61/669581261.db2.gz HYJGFZDEWDPKGO-UHFFFAOYSA-N -1 3 303.274 0.853 20 10 DCCDHM CC(=O)c1cc(Cl)cc(CN[C@]2(C(N)=O)CCOC2)c1[O-] ZINC000847050478 670513524 /nfs/dbraw/zinc/51/35/24/670513524.db2.gz CMLGPSOVTNWOPU-CQSZACIVSA-N -1 3 312.753 0.982 20 10 DCCDHM NC(=O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000821064775 671250133 /nfs/dbraw/zinc/25/01/33/671250133.db2.gz HIJYORPUXSJDMI-NSHDSACASA-N -1 3 311.769 0.612 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)CCF)c1 ZINC000846558162 672327225 /nfs/dbraw/zinc/32/72/25/672327225.db2.gz POASVXFBNJRUJC-SECBINFHSA-N -1 3 320.342 0.214 20 10 DCCDHM COC(=O)CCN1CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1C ZINC001597911949 1168013298 /nfs/dbraw/zinc/01/32/98/1168013298.db2.gz RXENKUYJFHVAFV-NSHDSACASA-N -1 3 322.361 0.807 20 10 DCCDHM C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603573840 1169326067 /nfs/dbraw/zinc/32/60/67/1169326067.db2.gz YSJWFZAFQMPJBW-FQJNGZCASA-N -1 3 309.395 0.990 20 10 DCCDHM COC(=O)c1ncc(=O)[nH]c1NC(=O)c1cccc(O)c1[O-] ZINC001148224263 767942041 /nfs/dbraw/zinc/94/20/41/767942041.db2.gz GGGDAPNVZXVCEM-UHFFFAOYSA-N -1 3 305.246 0.632 20 10 DCCDHM CCOC(=O)[C@@H]1CC[C@H](NCC(=O)c2ccc([O-])c(O)c2)CO1 ZINC001169338934 760652506 /nfs/dbraw/zinc/65/25/06/760652506.db2.gz IVDHGRNJNKDDAC-NHYWBVRUSA-N -1 3 323.345 0.981 20 10 DCCDHM NC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC001148862677 768044505 /nfs/dbraw/zinc/04/45/05/768044505.db2.gz FAZYCKJYKOSVMK-NSHDSACASA-N -1 3 308.334 0.498 20 10 DCCDHM CO[C@H]1CS(=O)(=O)C[C@H]1NCc1c([O-])cccc1Cl ZINC000697286124 765474359 /nfs/dbraw/zinc/47/43/59/765474359.db2.gz IAHRBHQEODVYKR-PWSUYJOCSA-N -1 3 305.783 0.947 20 10 DCCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC2)COCC(=O)N3)c([O-])c1 ZINC001231451500 769266625 /nfs/dbraw/zinc/26/66/25/769266625.db2.gz ZKWYQXINMRYLSE-UHFFFAOYSA-N -1 3 320.345 0.571 20 10 DCCDHM O=C1COC[C@@H]2CN(Cc3cc(Cl)c([O-])cc3O)CCN12 ZINC001232262543 769303037 /nfs/dbraw/zinc/30/30/37/769303037.db2.gz 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304.343 0.475 20 10 DCCDHM Cc1ccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)c([O-])c1O ZINC000770486799 668696072 /nfs/dbraw/zinc/69/60/72/668696072.db2.gz QQKQPLIRWZRFFG-UHFFFAOYSA-N -1 3 318.333 0.943 20 10 DCCDHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1ccc(O)cc1F ZINC000882712554 669572167 /nfs/dbraw/zinc/57/21/67/669572167.db2.gz BJFUZSMYNSNECI-GOSISDBHSA-N -1 3 311.360 0.762 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(CCO)CC2)c1 ZINC000817132450 670899860 /nfs/dbraw/zinc/89/98/60/670899860.db2.gz XLJBEMVWDNYULX-UHFFFAOYSA-N -1 3 314.363 0.409 20 10 DCCDHM CC(=O)C(=O)COC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588781401 1166588597 /nfs/dbraw/zinc/58/85/97/1166588597.db2.gz ADFRPKHNNRRGEJ-UHFFFAOYSA-N -1 3 302.290 0.798 20 10 DCCDHM CC(=O)C(=O)COC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588781401 1166588607 /nfs/dbraw/zinc/58/86/07/1166588607.db2.gz ADFRPKHNNRRGEJ-UHFFFAOYSA-N -1 3 302.290 0.798 20 10 DCCDHM CC(C)C(=O)NCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589406062 1166657127 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415825982 /nfs/dbraw/zinc/82/59/82/415825982.db2.gz CGJKXTOZGLYZGU-AMIZOPFISA-N -1 3 310.325 0.809 20 10 DCCDHM COC(=O)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265394512 523883464 /nfs/dbraw/zinc/88/34/64/523883464.db2.gz IOJJMASOORBCDA-ZETCQYMHSA-N -1 3 316.335 0.055 20 10 DCCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000313976096 660470504 /nfs/dbraw/zinc/47/05/04/660470504.db2.gz LIZVUWPYVUBTGX-VIFPVBQESA-N -1 3 314.363 0.204 20 10 DCCDHM CS(=O)(=O)C[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000897596098 662908671 /nfs/dbraw/zinc/90/86/71/662908671.db2.gz RYZUAYQVUKANDS-GFCCVEGCSA-N -1 3 303.355 0.777 20 10 DCCDHM CO[N-]C(=O)C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000922829519 666534033 /nfs/dbraw/zinc/53/40/33/666534033.db2.gz CIPFNEFVRHPWKB-UHFFFAOYSA-N -1 3 319.155 0.931 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ncc[nH]2)c1 ZINC000748313313 667923122 /nfs/dbraw/zinc/92/31/22/667923122.db2.gz BHKACYBVCOGHSO-UHFFFAOYSA-N -1 3 310.335 0.417 20 10 DCCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000928708218 668616846 /nfs/dbraw/zinc/61/68/46/668616846.db2.gz BGBPOVXWVCFTAP-NFFDBFGFSA-N -1 3 321.304 0.868 20 10 DCCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H]1O ZINC000768827061 668623717 /nfs/dbraw/zinc/62/37/17/668623717.db2.gz VITCVHUVNPBFRH-UFBFGSQYSA-N -1 3 314.363 0.217 20 10 DCCDHM C[C@H](O)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000783628032 669165207 /nfs/dbraw/zinc/16/52/07/669165207.db2.gz LAPNPZLYJYNXGT-IUCAKERBSA-N -1 3 316.379 0.653 20 10 DCCDHM C[C@@H](O)C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000783628033 669165544 /nfs/dbraw/zinc/16/55/44/669165544.db2.gz LAPNPZLYJYNXGT-RKDXNWHRSA-N -1 3 316.379 0.653 20 10 DCCDHM CC[C@@H](O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000855743464 670752957 /nfs/dbraw/zinc/75/29/57/670752957.db2.gz GNYFTBGRLMBCEQ-SECBINFHSA-N -1 3 302.352 0.264 20 10 DCCDHM CCOC(=O)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC12COC2 ZINC000833099986 671746001 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DCCDHM COC(=O)c1cncc(CNC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148591230 768021411 /nfs/dbraw/zinc/02/14/11/768021411.db2.gz VOPPMTPOGFYTOG-UHFFFAOYSA-N -1 3 318.285 0.915 20 10 DCCDHM CCOC[C@@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC001118253021 766268257 /nfs/dbraw/zinc/26/82/57/766268257.db2.gz FIWQZLIDSZMIAN-SNVBAGLBSA-N -1 3 320.349 0.992 20 10 DCCDHM COCC(=O)N[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231567316 769269522 /nfs/dbraw/zinc/26/95/22/769269522.db2.gz YQNMHZHBFBRQBF-CYBMUJFWSA-N -1 3 322.361 0.817 20 10 DCCDHM O=C(NCc1cn(C2CC2)c(=O)[nH]c1=O)c1cccc(O)c1[O-] ZINC001176142918 770030452 /nfs/dbraw/zinc/03/04/52/770030452.db2.gz SKSAVGCULZIKEH-UHFFFAOYSA-N -1 3 317.301 0.625 20 10 DCCDHM Cc1oncc1S(=O)(=O)[N-]C[C@H](O)c1ccc(O)c(O)c1 ZINC001187324523 772166477 /nfs/dbraw/zinc/16/64/77/772166477.db2.gz QSOCOVZOOJHQBH-NSHDSACASA-N -1 3 314.319 0.406 20 10 DCCDHM NC(=O)[C@@H]1COCCC12CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001269559395 940731433 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O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826439199 608194019 /nfs/dbraw/zinc/19/40/19/608194019.db2.gz JMCNHRHINSXQHH-UHFFFAOYSA-N -1 3 314.305 0.579 20 10 DCCDHM CC1(F)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000792527101 662011691 /nfs/dbraw/zinc/01/16/91/662011691.db2.gz SECNDYVRTCIWLS-UHFFFAOYSA-N -1 3 302.327 0.948 20 10 DCCDHM CO[N-]C(=O)CNCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000896924921 662375990 /nfs/dbraw/zinc/37/59/90/662375990.db2.gz RBKMTMKGIFUDCR-UHFFFAOYSA-N -1 3 323.324 0.871 20 10 DCCDHM COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1cccc(O)c1[O-] ZINC000869990966 667694723 /nfs/dbraw/zinc/69/47/23/667694723.db2.gz BIDDBEKJUSAWRX-PSLIRLAXSA-N -1 3 309.318 0.890 20 10 DCCDHM COC(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743720131 667815182 /nfs/dbraw/zinc/81/51/82/667815182.db2.gz QZMREZIWOMUEOU-UHFFFAOYSA-N -1 3 316.379 0.919 20 10 DCCDHM CCN(CC)S(=O)(=O)CC(=O)NCc1c([O-])cccc1F ZINC000928705208 668616930 /nfs/dbraw/zinc/61/69/30/668616930.db2.gz 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Cc1[n-][nH]c(=O)c1CCNC(=O)C=Cc1ccc(O)c(O)c1 ZINC001628270037 1171523498 /nfs/dbraw/zinc/52/34/98/1171523498.db2.gz MUJGFMCUSFRNGZ-MZBZXASESA-N -1 3 303.318 0.739 20 10 DCCDHM O=C(CNC(=O)c1ccncc1)NCc1c([O-])cccc1F ZINC001635366704 1171701306 /nfs/dbraw/zinc/70/13/06/1171701306.db2.gz HTJLJCRFIGFBQC-UHFFFAOYSA-N -1 3 303.293 0.973 20 10 DCCDHM O=C(N[C@H](CO)[C@H](O)c1ccccn1)c1cccc(O)c1[O-] ZINC001648709861 1173079268 /nfs/dbraw/zinc/07/92/68/1173079268.db2.gz VAWQECPMRUIMQL-BXUZGUMPSA-N -1 3 304.302 0.317 20 10 DCCDHM O=C(NCc1nnc2n1CCOC2)NCc1c([O-])cccc1F ZINC001682016295 1175922689 /nfs/dbraw/zinc/92/26/89/1175922689.db2.gz KRCLPKQCFZOWPW-UHFFFAOYSA-N -1 3 321.312 0.652 20 10 DCCDHM O=C(Nc1cncc(N2CCOCC2)n1)c1cccc(O)c1[O-] ZINC001148212748 767937039 /nfs/dbraw/zinc/93/70/39/767937039.db2.gz JUDPLWWSWPVNKI-UHFFFAOYSA-N -1 3 316.317 0.977 20 10 DCCDHM COC(=O)CC[C@@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC001148218838 767940595 /nfs/dbraw/zinc/94/05/95/767940595.db2.gz NANJJDWJORFALL-SNVBAGLBSA-N 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CCOCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000048925046 395824544 /nfs/dbraw/zinc/82/45/44/395824544.db2.gz CAFOWDZYFIBHCB-UHFFFAOYSA-N -1 3 302.352 0.530 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCO2)c1 ZINC000055105701 395911275 /nfs/dbraw/zinc/91/12/75/395911275.db2.gz HEHNQEIKICRBCP-SNVBAGLBSA-N -1 3 314.363 0.673 20 10 DCCDHM Cc1nnc2n1C[C@@H](CNC(=O)c1cccc(O)c1[O-])CC2 ZINC000279339888 396167847 /nfs/dbraw/zinc/16/78/47/396167847.db2.gz QYLRHURWLXSSHU-SNVBAGLBSA-N -1 3 302.334 0.990 20 10 DCCDHM Cc1ccc(C(=O)NCCCN2CCC[C@@H]2C(N)=O)c([O-])c1O ZINC000272894937 292072089 /nfs/dbraw/zinc/07/20/89/292072089.db2.gz ZTRYMKOHNZLNKG-GFCCVEGCSA-N -1 3 321.377 0.476 20 10 DCCDHM COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc2c(cc1[O-])OCO2 ZINC000276275463 415462979 /nfs/dbraw/zinc/46/29/79/415462979.db2.gz RHTLRGOKNHORNO-IINYFYTJSA-N -1 3 309.318 0.619 20 10 DCCDHM O=C([O-])NC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000834223581 605501554 /nfs/dbraw/zinc/50/15/54/605501554.db2.gz 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670910514 /nfs/dbraw/zinc/91/05/14/670910514.db2.gz NZSPVVQIFWMTHB-ONGXEEELSA-N -1 3 309.318 0.890 20 10 DCCDHM CC(=O)C(=O)COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588782261 1166590741 /nfs/dbraw/zinc/59/07/41/1166590741.db2.gz RDGOSVDADFPQMA-UHFFFAOYSA-N -1 3 320.330 0.660 20 10 DCCDHM CC(=O)C(=O)COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588782261 1166590750 /nfs/dbraw/zinc/59/07/50/1166590750.db2.gz RDGOSVDADFPQMA-UHFFFAOYSA-N -1 3 320.330 0.660 20 10 DCCDHM CC[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465361 1166917852 /nfs/dbraw/zinc/91/78/52/1166917852.db2.gz GZNLPYIHIYLPAH-JOYOIKCWSA-N -1 3 316.365 0.749 20 10 DCCDHM COCCN(C)CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001605094758 1169820659 /nfs/dbraw/zinc/82/06/59/1169820659.db2.gz BHIXELCMTQZTFY-LLVKDONJSA-N -1 3 320.397 0.801 20 10 DCCDHM COC(=O)c1cnn(CC(=O)NCc2c([O-])cccc2F)c1 ZINC001638866937 1171813608 /nfs/dbraw/zinc/81/36/08/1171813608.db2.gz UUJWOXBXLQFSKI-UHFFFAOYSA-N -1 3 307.281 0.831 20 10 DCCDHM NC(=O)[C@H]1CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC001678892267 1175684897 /nfs/dbraw/zinc/68/48/97/1175684897.db2.gz PORMCBDISQQXRQ-QPUJVOFHSA-N -1 3 311.313 0.363 20 10 DCCDHM COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(Cl)cc1[O-] ZINC001205082503 750920238 /nfs/dbraw/zinc/92/02/38/750920238.db2.gz OBVPEPGCLCYTRE-NSHDSACASA-N -1 3 312.753 0.909 20 10 DCCDHM CC1(C)CN(C2CN(C(=O)c3cc(O)c([O-])c(O)c3)C2)CCO1 ZINC001148583796 768020076 /nfs/dbraw/zinc/02/00/76/768020076.db2.gz BLBQZSJEKNPZLR-UHFFFAOYSA-N -1 3 322.361 0.739 20 10 DCCDHM CS(=O)(=O)NC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001136148738 766253711 /nfs/dbraw/zinc/25/37/11/766253711.db2.gz ITFMBNBOHZCNLQ-UHFFFAOYSA-N -1 3 314.363 0.252 20 10 DCCDHM O=C(c1cccc(O)c1[O-])N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001144551740 766967928 /nfs/dbraw/zinc/96/79/28/766967928.db2.gz JFWQEYROKRBKRK-JTQLQIEISA-N -1 3 311.359 0.890 20 10 DCCDHM COC(=O)[C@@H]1C(=O)NCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231870955 769288012 /nfs/dbraw/zinc/28/80/12/769288012.db2.gz 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C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603657624 1169344759 /nfs/dbraw/zinc/34/47/59/1169344759.db2.gz ORCYHBYAQAHQFP-ZJUUUORDSA-N -1 3 316.365 0.749 20 10 DCCDHM CCOC(=O)c1nc([C@@H](C)NC(=O)c2cccc(O)c2O)n[n-]1 ZINC001645206005 1172032910 /nfs/dbraw/zinc/03/29/10/1172032910.db2.gz IZVXADGOLRUARF-SSDOTTSWSA-N -1 3 320.305 0.884 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2C[C@H](O)C2)c1 ZINC001651307263 1173746276 /nfs/dbraw/zinc/74/62/76/1173746276.db2.gz YXVRBSUHUZBHRL-CZMCAQCFSA-N -1 3 314.363 0.264 20 10 DCCDHM COC(=O)c1ccn(CC(=O)NCc2c([O-])cccc2F)n1 ZINC001652298738 1173767983 /nfs/dbraw/zinc/76/79/83/1173767983.db2.gz PMXDNHIZEPBAIB-UHFFFAOYSA-N -1 3 307.281 0.831 20 10 DCCDHM O=S1(=O)NC[C@@H]2CN(Cc3ccc(Cl)cc3[O-])CCN21 ZINC001653146682 1173782619 /nfs/dbraw/zinc/78/26/19/1173782619.db2.gz MZKNEVOQRMUDNH-LLVKDONJSA-N -1 3 317.798 0.380 20 10 DCCDHM CCOC(=O)c1nc[nH]c1CNC(=O)c1cccc(O)c1[O-] ZINC001148219929 767940549 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O=C(NCc1cc(O)ccc1O)c1ccc(-c2nnn[n-]2)cn1 ZINC001558175290 1012330285 /nfs/dbraw/zinc/33/02/85/1012330285.db2.gz LAGLSRRONXZWMC-UHFFFAOYSA-N -1 3 312.289 0.603 20 10 DCCDHM O=C(NCc1cc(O)ccc1O)c1ccc(-c2nn[n-]n2)cn1 ZINC001558175290 1012330301 /nfs/dbraw/zinc/33/03/01/1012330301.db2.gz LAGLSRRONXZWMC-UHFFFAOYSA-N -1 3 312.289 0.603 20 10 DCCDHM COc1c([O-])c(CNCCS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000278890069 533442172 /nfs/dbraw/zinc/44/21/72/533442172.db2.gz PPEKUDIWDZDOQM-UHFFFAOYSA-N -1 3 304.324 0.443 20 10 DCCDHM CC(=O)N[C@H]1CCCN(C(=O)CN(C)Cc2ccccc2[O-])C1 ZINC000111235424 395803757 /nfs/dbraw/zinc/80/37/57/395803757.db2.gz VWAWJGFHDLNTHM-HNNXBMFYSA-N -1 3 319.405 0.951 20 10 DCCDHM C[C@H]1CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])=NO1 ZINC000270639961 395792547 /nfs/dbraw/zinc/79/25/47/395792547.db2.gz XVKYBXTWWRZLPC-ZETCQYMHSA-N -1 3 313.335 0.616 20 10 DCCDHM CN(C)c1ccc(CN(C)C(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000071014148 396107980 /nfs/dbraw/zinc/10/79/80/396107980.db2.gz 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CC(=O)C(=O)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC001588782895 1166590127 /nfs/dbraw/zinc/59/01/27/1166590127.db2.gz ZARGVVGPXFMKAU-UHFFFAOYSA-N -1 3 311.305 0.592 20 10 DCCDHM CCN1C[C@@H]([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1=O ZINC001590728683 1166984577 /nfs/dbraw/zinc/98/45/77/1166984577.db2.gz FUODRAGLBLFOLM-ZJUUUORDSA-N -1 3 316.365 0.844 20 10 DCCDHM CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C1 ZINC001602931128 1169210854 /nfs/dbraw/zinc/21/08/54/1169210854.db2.gz VRHDOYLKEIZRJQ-MWLCHTKSSA-N -1 3 316.365 0.844 20 10 DCCDHM C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603573845 1169326869 /nfs/dbraw/zinc/32/68/69/1169326869.db2.gz YSJWFZAFQMPJBW-VRNWYBPDSA-N -1 3 309.395 0.990 20 10 DCCDHM CC[C@H]([NH2+]Cc1cnnn1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604063070 1169484681 /nfs/dbraw/zinc/48/46/81/1169484681.db2.gz XDQFIIHZMFHCLC-LBPRGKRZSA-N -1 3 314.353 0.942 20 10 DCCDHM [O-]c1ccc(Cl)cc1C[NH2+]CCn1cnc(-c2nnn[n-]2)n1 ZINC001607111500 1170401738 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COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1cccc(O)c1[O-] ZINC001471780131 1016647216 /nfs/dbraw/zinc/64/72/16/1016647216.db2.gz FXOVDENPWDUIFL-GXSJLCMTSA-N -1 3 309.318 0.938 20 10 DCCDHM O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1cccc(O)c1[O-] ZINC001446599856 1012858080 /nfs/dbraw/zinc/85/80/80/1012858080.db2.gz APCWDNKCXIYIJB-GFCCVEGCSA-N -1 3 320.345 0.608 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCOC2)c1 ZINC000293620677 533421052 /nfs/dbraw/zinc/42/10/52/533421052.db2.gz MKDSWHGNJALQRX-UHFFFAOYSA-N -1 3 300.336 0.584 20 10 DCCDHM CC(=O)N[C@@H]1CCCN(C(=O)CN(C)Cc2ccccc2[O-])C1 ZINC000111235422 395803213 /nfs/dbraw/zinc/80/32/13/395803213.db2.gz VWAWJGFHDLNTHM-OAHLLOKOSA-N -1 3 319.405 0.951 20 10 DCCDHM COC(=O)N1CC(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278471352 396126700 /nfs/dbraw/zinc/12/67/00/396126700.db2.gz HFSGYTNBDCLWDU-UHFFFAOYSA-N -1 3 311.294 0.849 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCCO)c1 ZINC000279182657 396156553 /nfs/dbraw/zinc/15/65/53/396156553.db2.gz 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COc1cc(C)cc(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1O ZINC001607149467 1170410500 /nfs/dbraw/zinc/41/05/00/1170410500.db2.gz PSOFIWGXGVLANZ-UWVGGRQHSA-N -1 3 310.350 0.777 20 10 DCCDHM O=C(Cc1ccc(O)c(O)c1)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001640609059 1171886883 /nfs/dbraw/zinc/88/68/83/1171886883.db2.gz PNHZOGTZNDPVDC-UHFFFAOYSA-N -1 3 307.331 0.741 20 10 DCCDHM CC(C)(O)CCN1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148588108 768020930 /nfs/dbraw/zinc/02/09/30/768020930.db2.gz OGXQVBDZOQIDEE-UHFFFAOYSA-N -1 3 324.377 0.722 20 10 DCCDHM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CCNC2(CC2)C1 ZINC001161561873 772245518 /nfs/dbraw/zinc/24/55/18/772245518.db2.gz YBBZCQKTRCXAFX-UHFFFAOYSA-N -1 3 316.313 0.782 20 10 DCCDHM C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603573844 1169325210 /nfs/dbraw/zinc/32/52/10/1169325210.db2.gz YSJWFZAFQMPJBW-KRNBLGIKSA-N -1 3 309.395 0.990 20 10 DCCDHM NC(=O)[C@@H]1CCSC12CN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001269724488 940764090 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C[C@]12CN(C(=O)c3cccc(O)c3[O-])C[C@@]1(C)C(=O)NC2=O ZINC001454635140 1009234768 /nfs/dbraw/zinc/23/47/68/1009234768.db2.gz KHXJTUDRKUNLNY-GASCZTMLSA-N -1 3 304.302 0.223 20 10 DCCDHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cccc(O)c1[O-] ZINC000275144912 296219571 /nfs/dbraw/zinc/21/95/71/296219571.db2.gz QLKRTGQCOPKXKR-IUCAKERBSA-N -1 3 301.364 0.991 20 10 DCCDHM CNS(=O)(=O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000275822914 130392003 /nfs/dbraw/zinc/39/20/03/130392003.db2.gz DSVHSWFSQYUNRB-MRVPVSSYSA-N -1 3 303.340 0.500 20 10 DCCDHM C[C@@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCOC1 ZINC000271468130 395866740 /nfs/dbraw/zinc/86/67/40/395866740.db2.gz UJOCJBXHMOGQON-CYBMUJFWSA-N -1 3 314.363 0.673 20 10 DCCDHM C[C@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCOC1 ZINC000271468136 395866833 /nfs/dbraw/zinc/86/68/33/395866833.db2.gz UJOCJBXHMOGQON-ZDUSSCGKSA-N -1 3 314.363 0.673 20 10 DCCDHM C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N(C)Cc1ccccc1[O-] ZINC000264620638 396297266 /nfs/dbraw/zinc/29/72/66/396297266.db2.gz QXKQHMAVRFPQOI-JSGCOSHPSA-N -1 3 319.405 0.936 20 10 DCCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1[O-] ZINC000122162486 415827074 /nfs/dbraw/zinc/82/70/74/415827074.db2.gz CGJKXTOZGLYZGU-OQPBUACISA-N -1 3 310.325 0.809 20 10 DCCDHM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(O)c1[O-] ZINC000187087848 527045343 /nfs/dbraw/zinc/04/53/43/527045343.db2.gz NFULBMPXRIZVCR-QMMMGPOBSA-N -1 3 318.251 0.991 20 10 DCCDHM NS(=O)(=O)C[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000897052677 662386468 /nfs/dbraw/zinc/38/64/68/662386468.db2.gz MNMCIFOVZQTGBU-MRVPVSSYSA-N -1 3 306.334 0.781 20 10 DCCDHM C[C@H](CS(C)(=O)=O)NC(=O)NCc1c([O-])cccc1F ZINC000918606895 665176257 /nfs/dbraw/zinc/17/62/57/665176257.db2.gz KRJIABQMTPMGRV-MRVPVSSYSA-N -1 3 304.343 0.764 20 10 DCCDHM CN(CCCNC(=O)c1cccc(O)c1[O-])S(C)(=O)=O ZINC000709534608 667445115 /nfs/dbraw/zinc/44/51/15/667445115.db2.gz CASGJCAPXDSLPH-UHFFFAOYSA-N -1 3 302.352 0.109 20 10 DCCDHM C[C@@H](NCC(=O)N1CCN(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756488442 668090515 /nfs/dbraw/zinc/09/05/15/668090515.db2.gz DOGXZRKPKQEKAO-LLVKDONJSA-N -1 3 322.365 0.725 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2(CO)CC2)c1 ZINC000770096644 668678615 /nfs/dbraw/zinc/67/86/15/668678615.db2.gz LRJWWZALKGEDIN-UHFFFAOYSA-N -1 3 300.336 0.018 20 10 DCCDHM CCOC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC12COC2 ZINC000833099987 671746009 /nfs/dbraw/zinc/74/60/09/671746009.db2.gz FPVKJSVRTHQRNE-NSHDSACASA-N -1 3 321.329 0.750 20 10 DCCDHM COC(=O)c1n[nH]c2c1CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000836955095 671840552 /nfs/dbraw/zinc/84/05/52/671840552.db2.gz RDXGCAXRUQBXDT-UHFFFAOYSA-N -1 3 317.301 0.806 20 10 DCCDHM CCOC(=O)c1cn(CCNC(=O)c2cccc(O)c2[O-])cn1 ZINC000846643170 672332165 /nfs/dbraw/zinc/33/21/65/672332165.db2.gz DRYNJDJNGYGZCG-UHFFFAOYSA-N -1 3 319.317 0.901 20 10 DCCDHM C[C@@H]([NH2+]CCCn1ccnn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960522 1166731160 /nfs/dbraw/zinc/73/11/60/1166731160.db2.gz BJEVFBQNPUQLKR-SNVBAGLBSA-N -1 3 314.353 0.905 20 10 DCCDHM COC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591371709 1167244579 /nfs/dbraw/zinc/24/45/79/1167244579.db2.gz ZJFFLAQXOUTYHQ-LKFCYVNXSA-N -1 3 307.354 0.620 20 10 DCCDHM C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338613 1169559160 /nfs/dbraw/zinc/55/91/60/1169559160.db2.gz PIVGMEFQTSYWSN-WCQYABFASA-N -1 3 307.394 0.987 20 10 DCCDHM COC(=O)N1CC([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C1 ZINC001604949830 1169760043 /nfs/dbraw/zinc/76/00/43/1169760043.db2.gz NLAVRXZGMLMCDQ-QMMMGPOBSA-N -1 3 318.337 0.674 20 10 DCCDHM CN1CCCc2cc(CNC(=O)[C@H](N)CCC(=O)[O-])ccc21 ZINC001610134248 1171168868 /nfs/dbraw/zinc/16/88/68/1171168868.db2.gz NXJCQFBCTNEPBY-CYBMUJFWSA-N -1 3 305.378 0.877 20 10 DCCDHM Cn1cc([C@H](NC(=O)c2cccc(O)c2[O-])c2ncon2)cn1 ZINC001637752888 1171776882 /nfs/dbraw/zinc/77/68/82/1171776882.db2.gz OROTTXFIASNOPM-NSHDSACASA-N -1 3 315.289 0.734 20 10 DCCDHM Cn1cc(S(=O)(=O)[N-]Cc2ccc(O)cc2O)nc1Cl ZINC001663962980 1174375793 /nfs/dbraw/zinc/37/57/93/1174375793.db2.gz GRONWQSXSOARLB-UHFFFAOYSA-N -1 3 317.754 0.963 20 10 DCCDHM N=C(NC(=O)c1cc(O)c([O-])c(O)c1)n1nnc2ccccc21 ZINC001148590322 768021279 /nfs/dbraw/zinc/02/12/79/768021279.db2.gz HPCJEJOFZLVROT-UHFFFAOYSA-N -1 3 313.273 0.761 20 10 DCCDHM C[C@@H](OC(C)(C)C)[C@@H](N)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001220490273 774825437 /nfs/dbraw/zinc/82/54/37/774825437.db2.gz ZLEXQLUSEPMCFY-YMTOWFKASA-N -1 3 324.377 0.928 20 10 DCCDHM CN(C)C(=O)c1nnc2n1CCN(Cc1cc(F)ccc1[O-])C2 ZINC001278254576 945196945 /nfs/dbraw/zinc/19/69/45/945196945.db2.gz AARBRIPYQZCEQA-UHFFFAOYSA-N -1 3 319.340 0.840 20 10 DCCDHM O=C(c1cccc(O)c1[O-])N1CC2(C[C@@H]2C(=O)N2CC=CC2)C1 ZINC001269561105 940731896 /nfs/dbraw/zinc/73/18/96/940731896.db2.gz HDEDXYDPKGOPDU-GFCCVEGCSA-N -1 3 314.341 0.958 20 10 DCCDHM CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)[N-]C(=O)C(F)F ZINC001322238747 946623606 /nfs/dbraw/zinc/62/36/06/946623606.db2.gz NGTSEQVZBGVMBH-QMMMGPOBSA-N -1 3 303.261 0.953 20 10 DCCDHM O=C(C=Cc1ccc(O)c(O)c1)NCCCc1c[n-][nH]c1=O ZINC001179689762 947887979 /nfs/dbraw/zinc/88/79/79/947887979.db2.gz YVRGTHWPJGXGLU-MALLOTDXSA-N -1 3 303.318 0.739 20 10 DCCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCc2nnnn2CC1 ZINC001312890525 960288444 /nfs/dbraw/zinc/28/84/44/960288444.db2.gz QYRODOYYEIRAED-VIFPVBQESA-N -1 3 320.328 0.722 20 10 DCCDHM COc1ccc(N2CCN(C[C@](C)(O)C(=O)[O-])CC2)cc1F ZINC001599585912 993612741 /nfs/dbraw/zinc/61/27/41/993612741.db2.gz ZHBTVRRIDSUYTG-HNNXBMFYSA-N -1 3 312.341 0.792 20 10 DCCDHM CCCN(CC(=O)N1CCNC(=O)C1)Cc1ccccc1[O-] ZINC000263902002 396241104 /nfs/dbraw/zinc/24/11/04/396241104.db2.gz BQPYEHSQAYWXHG-UHFFFAOYSA-N -1 3 305.378 0.563 20 10 DCCDHM C[C@@H](CCCO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000270382033 396465152 /nfs/dbraw/zinc/46/51/52/396465152.db2.gz CPUZSHNZWHVPJK-VIFPVBQESA-N -1 3 316.379 0.655 20 10 DCCDHM C[C@@H](CCO)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000270413509 396465696 /nfs/dbraw/zinc/46/56/96/396465696.db2.gz OJVGBNGEYIIKGH-VIFPVBQESA-N -1 3 316.379 0.512 20 10 DCCDHM Cc1ccc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)c([O-])c1O ZINC000291987266 396523322 /nfs/dbraw/zinc/52/33/22/396523322.db2.gz XQYBGUGXOLNXCW-JTQLQIEISA-N -1 3 313.375 0.961 20 10 DCCDHM Cc1ccc(C(=O)N2CCN([C@@H]3CCOC3)CC2)c([O-])c1O ZINC000364704471 397237577 /nfs/dbraw/zinc/23/75/77/397237577.db2.gz KSPONSIVOBELJK-GFCCVEGCSA-N -1 3 306.362 0.953 20 10 DCCDHM CCN1C(=O)[C@@H]2CN(C(=O)c3cccc(O)c3[O-])CCN2C1=O ZINC000370490888 528955712 /nfs/dbraw/zinc/95/57/12/528955712.db2.gz IVFWQVQDMWGRKU-JTQLQIEISA-N -1 3 319.317 0.206 20 10 DCCDHM COC(=O)C[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC ZINC000272699383 536345585 /nfs/dbraw/zinc/34/55/85/536345585.db2.gz YEWGMQIZYKPBHW-VIFPVBQESA-N -1 3 311.290 0.241 20 10 DCCDHM CCS(=O)(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179915442 665411232 /nfs/dbraw/zinc/41/12/32/665411232.db2.gz LYZWVGJYHMJOJG-UHFFFAOYSA-N -1 3 302.371 0.999 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cocn2)c1 ZINC000730842015 664819995 /nfs/dbraw/zinc/81/99/95/664819995.db2.gz AVSWYIDZWKMZAZ-UHFFFAOYSA-N -1 3 311.319 0.682 20 10 DCCDHM CS(=O)(=O)CCCNC(=O)NCc1c([O-])cccc1F ZINC000918159620 665158861 /nfs/dbraw/zinc/15/88/61/665158861.db2.gz RQCYVNFKKZCLKU-UHFFFAOYSA-N -1 3 304.343 0.765 20 10 DCCDHM O=C(CCNC(=O)c1cccc(O)c1[O-])Nc1ccncc1 ZINC000776646576 668879729 /nfs/dbraw/zinc/87/97/29/668879729.db2.gz ZLHATFDFBIVYSO-UHFFFAOYSA-N -1 3 301.302 0.673 20 10 DCCDHM CC(=O)c1cc(F)cc(CN2CC(=O)NCC23COC3)c1[O-] ZINC000880161269 669168456 /nfs/dbraw/zinc/16/84/56/669168456.db2.gz CBGAZDNFXNJLEZ-UHFFFAOYSA-N -1 3 308.309 0.435 20 10 DCCDHM C[S@@](=O)CCN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790771182 669574632 /nfs/dbraw/zinc/57/46/32/669574632.db2.gz AJCOYYKRBAZFJE-OAQYLSRUSA-N -1 3 312.391 0.234 20 10 DCCDHM COC(=O)CN(C(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC000855447125 670713250 /nfs/dbraw/zinc/71/32/50/670713250.db2.gz NKAUOHKCPISPDO-UHFFFAOYSA-N -1 3 309.318 0.892 20 10 DCCDHM CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590468970 1166918488 /nfs/dbraw/zinc/91/84/88/1166918488.db2.gz WOSSREOBLUQEJQ-DOMZBBRYSA-N -1 3 319.365 0.764 20 10 DCCDHM CN(C(=O)C=Cc1cn(C)cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001590977693 1167066947 /nfs/dbraw/zinc/06/69/47/1167066947.db2.gz BHEBDRDVYNGLRP-ZZXKWVIFSA-N -1 3 310.321 0.671 20 10 DCCDHM CCCNC(=O)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604221924 1169527657 /nfs/dbraw/zinc/52/76/57/1169527657.db2.gz KHWFFRDIQIBJIP-VIFPVBQESA-N -1 3 304.354 0.749 20 10 DCCDHM CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604877762 1169727127 /nfs/dbraw/zinc/72/71/27/1169727127.db2.gz IMVCMQMGFLKZLA-DTWKUNHWSA-N -1 3 304.354 0.748 20 10 DCCDHM CC(=O)c1cc(F)cc(CN(C)CCS(N)(=O)=O)c1[O-] ZINC001648222769 1173069599 /nfs/dbraw/zinc/06/95/99/1173069599.db2.gz YIMNWFZBLDQBSR-UHFFFAOYSA-N -1 3 304.343 0.454 20 10 DCCDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ncc[nH]1 ZINC001651037061 1173739363 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Cc1ccc(C(=O)NCCCCS(N)(=O)=O)c([O-])c1O ZINC000294437157 415871137 /nfs/dbraw/zinc/87/11/37/415871137.db2.gz PERAPXZRNGSIGH-UHFFFAOYSA-N -1 3 302.352 0.205 20 10 DCCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](N2CCNC2=O)C1 ZINC000366100211 416619512 /nfs/dbraw/zinc/61/95/12/416619512.db2.gz WPVBIEWLDCWRRV-JTQLQIEISA-N -1 3 305.334 0.728 20 10 DCCDHM COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000267429480 523766421 /nfs/dbraw/zinc/76/64/21/523766421.db2.gz CJHVYCFHTIFCDY-YPMHNXCESA-N -1 3 311.309 0.842 20 10 DCCDHM NC(=O)[C@@H]1C[C@@H](O)CN1Cc1c([O-])cccc1Br ZINC000895371941 662176816 /nfs/dbraw/zinc/17/68/16/662176816.db2.gz ZWVFXXAUWQLLHH-XCBNKYQSSA-N -1 3 315.167 0.575 20 10 DCCDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cn[nH]c1 ZINC000757925663 668151385 /nfs/dbraw/zinc/15/13/85/668151385.db2.gz QJDRIBSMXALFER-MRVPVSSYSA-N -1 3 324.362 0.978 20 10 DCCDHM O=C(NCCCN1CCCS1(=O)=O)c1cccc(O)c1[O-] ZINC000790626181 669562461 /nfs/dbraw/zinc/56/24/61/669562461.db2.gz CCKGNXCVCJVUOP-UHFFFAOYSA-N -1 3 314.363 0.253 20 10 DCCDHM NC(=O)NC(=O)C1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000790882746 669580210 /nfs/dbraw/zinc/58/02/10/669580210.db2.gz QWSQPDAPCOKEMF-UHFFFAOYSA-N -1 3 321.333 0.581 20 10 DCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCO[C@H]3C[C@H]32)c1 ZINC000816898215 670872900 /nfs/dbraw/zinc/87/29/00/670872900.db2.gz VUAHVTSWWYNJFD-PWSUYJOCSA-N -1 3 312.347 0.377 20 10 DCCDHM CC(C)(CO)ONC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000857285308 670904720 /nfs/dbraw/zinc/90/47/20/670904720.db2.gz YMUOEFDCDHVAMJ-UHFFFAOYSA-N -1 3 318.351 0.196 20 10 DCCDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)O ZINC000836861175 671835241 /nfs/dbraw/zinc/83/52/41/671835241.db2.gz ANTGFLAUZXMWLX-GZMMTYOYSA-N -1 3 316.379 0.653 20 10 DCCDHM C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978131 1166735834 /nfs/dbraw/zinc/73/58/34/1166735834.db2.gz LAAYRBLDQQBGIY-YMTOWFKASA-N -1 3 305.338 0.374 20 10 DCCDHM CC[C@@H]([NH2+]CCOCCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055856 1169483084 /nfs/dbraw/zinc/48/30/84/1169483084.db2.gz PFZYRMZXLHEDDP-GFCCVEGCSA-N -1 3 307.354 0.622 20 10 DCCDHM CC[C@@H]([NH2+]Cc1cnnn1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604063069 1169484595 /nfs/dbraw/zinc/48/45/95/1169484595.db2.gz XDQFIIHZMFHCLC-GFCCVEGCSA-N -1 3 314.353 0.942 20 10 DCCDHM C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604336378 1169556340 /nfs/dbraw/zinc/55/63/40/1169556340.db2.gz FRMWCBMFRQHJLA-ZBEGNZNMSA-N -1 3 324.377 0.434 20 10 DCCDHM O=C(CNC(=O)[C@H]1CC2CCN1CC2)c1ccc([O-])c(O)c1 ZINC001142634976 750099104 /nfs/dbraw/zinc/09/91/04/750099104.db2.gz DVCABJHRSQXEMJ-GFCCVEGCSA-N -1 3 304.346 0.881 20 10 DCCDHM O=C(NCCNC(=O)c1cccc(O)c1[O-])c1ccncc1 ZINC001148219910 767940443 /nfs/dbraw/zinc/94/04/43/767940443.db2.gz FFSHJAORRBAKIK-UHFFFAOYSA-N -1 3 301.302 0.653 20 10 DCCDHM CCNC(=O)CO[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148219225 767940588 /nfs/dbraw/zinc/94/05/88/767940588.db2.gz XIDWXDSCYNOCQI-LLVKDONJSA-N -1 3 322.361 0.855 20 10 DCCDHM COC(=O)CNC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1F ZINC001137839869 768392282 /nfs/dbraw/zinc/39/22/82/768392282.db2.gz MYSAZCCOGDEDOO-LBPRGKRZSA-N -1 3 310.325 0.785 20 10 DCCDHM CCN1CCN(CCNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000830750553 768397681 /nfs/dbraw/zinc/39/76/81/768397681.db2.gz NCXYLMKLVWMPCP-UHFFFAOYSA-N -1 3 311.357 0.604 20 10 DCCDHM NC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])Cc2ccnn21 ZINC001269559422 940731566 /nfs/dbraw/zinc/73/15/66/940731566.db2.gz CMSQAZRVDJNQMC-LLVKDONJSA-N -1 3 316.317 0.367 20 10 DCCDHM Cc1cc([O-])c(CN2CCN(CC(N)=O)C(=O)C2)cc1Cl ZINC001350620655 955149038 /nfs/dbraw/zinc/14/90/38/955149038.db2.gz WNXQRKDYHUQUDH-UHFFFAOYSA-N -1 3 311.769 0.484 20 10 DCCDHM CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000271327520 395858515 /nfs/dbraw/zinc/85/85/15/395858515.db2.gz YMLXIJOSSWUYHN-SECBINFHSA-N -1 3 301.364 0.959 20 10 DCCDHM CC[C@H](CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271885462 395871663 /nfs/dbraw/zinc/87/16/63/395871663.db2.gz NTTMBHLYVNSAQG-MRVPVSSYSA-N -1 3 302.352 0.264 20 10 DCCDHM C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N(C)Cc1ccccc1[O-] ZINC000264620637 396296607 /nfs/dbraw/zinc/29/66/07/396296607.db2.gz QXKQHMAVRFPQOI-GXTWGEPZSA-N -1 3 319.405 0.936 20 10 DCCDHM CN(Cc1cc(F)ccc1[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292701264 415848869 /nfs/dbraw/zinc/84/88/69/415848869.db2.gz CJCCZLWMXYHTJL-GFCCVEGCSA-N -1 3 302.371 0.997 20 10 DCCDHM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])N1CCN(C)CC1 ZINC000276536805 534029459 /nfs/dbraw/zinc/02/94/59/534029459.db2.gz FRNGONUENDMVSD-JTQLQIEISA-N -1 3 311.357 0.603 20 10 DCCDHM CC[C@@H](COC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265776146 522593077 /nfs/dbraw/zinc/59/30/77/522593077.db2.gz IGZAYUVKEMOUTP-VIFPVBQESA-N -1 3 316.379 0.919 20 10 DCCDHM CC(C)(CO)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000272335092 527207545 /nfs/dbraw/zinc/20/75/45/527207545.db2.gz MDMYGMIFLHDHRR-UHFFFAOYSA-N -1 3 302.352 0.264 20 10 DCCDHM O=C1NC(=O)[C@]2(CCCN(Cc3cc(F)cc(F)c3[O-])C2)N1 ZINC000894596525 661988130 /nfs/dbraw/zinc/98/81/30/661988130.db2.gz ZHWXREXWYYFBKG-CQSZACIVSA-N -1 3 311.288 0.844 20 10 DCCDHM CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1c([O-])cccc1F ZINC000928708636 662478308 /nfs/dbraw/zinc/47/83/08/662478308.db2.gz PXLAOHXARWKYGQ-GFCCVEGCSA-N -1 3 318.370 0.721 20 10 DCCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCS(=O)(=O)C1 ZINC000905147883 663536105 /nfs/dbraw/zinc/53/61/05/663536105.db2.gz JWHLOZQJYYFHDF-QMMMGPOBSA-N -1 3 302.327 0.518 20 10 DCCDHM COC(=O)[C@@H]1[C@H](CNC(=O)c2cccc(O)c2[O-])C1(F)F ZINC000881824392 669393734 /nfs/dbraw/zinc/39/37/34/669393734.db2.gz KBFYCNZZHXRJED-CBAPKCEASA-N -1 3 301.245 0.882 20 10 DCCDHM CC(=O)C(=O)COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000808512281 670412627 /nfs/dbraw/zinc/41/26/27/670412627.db2.gz QKYCNNANLNSPCD-UHFFFAOYSA-N -1 3 317.294 0.512 20 10 DCCDHM C[C@H](O)C1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000856129170 670790047 /nfs/dbraw/zinc/79/00/47/670790047.db2.gz RPEXMHGLGXZMIT-QMMMGPOBSA-N -1 3 314.363 0.407 20 10 DCCDHM C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589973217 1166732819 /nfs/dbraw/zinc/73/28/19/1166732819.db2.gz DMTDIEVRFLXVES-KXUCPTDWSA-N -1 3 316.365 0.877 20 10 DCCDHM C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589974034 1166733290 /nfs/dbraw/zinc/73/32/90/1166733290.db2.gz OFWJUBKPHVQFOA-BDAKNGLRSA-N -1 3 304.354 0.700 20 10 DCCDHM O=C(N[C@H]1C(=O)NCC12CCOCC2)c1cccc(O)c1[O-] ZINC001651704083 1173751998 /nfs/dbraw/zinc/75/19/98/1173751998.db2.gz JLEFYCKVUWXPOI-LBPRGKRZSA-N -1 3 306.318 0.123 20 10 DCCDHM COC(=O)[C@H](CNC(=O)c1cccc(O)c1[O-])[C@@H]1CCOC1 ZINC001653864384 1173795472 /nfs/dbraw/zinc/79/54/72/1173795472.db2.gz JXWUUTFIUBWKLO-MWLCHTKSSA-N -1 3 309.318 0.653 20 10 DCCDHM COc1ncnc(OC)c1CNC(=O)c1cccc(O)c1[O-] ZINC001148220217 767940452 /nfs/dbraw/zinc/94/04/52/767940452.db2.gz ZABBDPQXZWPCRK-UHFFFAOYSA-N -1 3 305.290 0.835 20 10 DCCDHM COC(=O)[C@@H](Cc1cncn1C)NC(=O)c1cccc(O)c1[O-] ZINC001148224521 767941963 /nfs/dbraw/zinc/94/19/63/767941963.db2.gz OINAFNCRDJZCLT-LLVKDONJSA-N -1 3 319.317 0.345 20 10 DCCDHM CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(O)c([O-])c(O)c3)C[C@H]21 ZINC001148584258 768020608 /nfs/dbraw/zinc/02/06/08/768020608.db2.gz QAYSRLYZTMVREC-IWIIMEHWSA-N -1 3 320.345 0.646 20 10 DCCDHM Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589941 768021684 /nfs/dbraw/zinc/02/16/84/768021684.db2.gz RKCNWYSNLPNZKH-UHFFFAOYSA-N -1 3 322.233 0.253 20 10 DCCDHM CN(CC(=O)N1CCOCC1)Cc1cc(F)c(F)cc1[O-] ZINC001142508917 768648195 /nfs/dbraw/zinc/64/81/95/768648195.db2.gz PSSBPFXMPMQOLT-UHFFFAOYSA-N -1 3 300.305 0.961 20 10 DCCDHM O=C(Cn1cc(F)c(=O)[n-]c1=O)N1CCc2cccc(O)c2C1 ZINC001183660458 771687906 /nfs/dbraw/zinc/68/79/06/771687906.db2.gz WIQTUHWSODZSHC-UHFFFAOYSA-N -1 3 319.292 0.379 20 10 DCCDHM C[C@@H]1c2nc(C(N)=O)cn2CCN1C(=O)c1cccc(O)c1[O-] ZINC001269560669 940731345 /nfs/dbraw/zinc/73/13/45/940731345.db2.gz ZFFNRRNOFDQWKF-MRVPVSSYSA-N -1 3 316.317 0.610 20 10 DCCDHM CN(C)C(=O)c1n[nH]c2c1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001269562020 940731405 /nfs/dbraw/zinc/73/14/05/940731405.db2.gz YYABLDOLTOTVPC-UHFFFAOYSA-N -1 3 316.317 0.679 20 10 DCCDHM NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001269724090 940764121 /nfs/dbraw/zinc/76/41/21/940764121.db2.gz LQNQJVZJRIXWKA-RQJHRRTKSA-N -1 3 306.318 0.433 20 10 DCCDHM CN(C)C(=O)[C@@H]1CC12CN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001269723730 940764375 /nfs/dbraw/zinc/76/43/75/940764375.db2.gz CUJXDDXKMWLKSX-VIFPVBQESA-N -1 3 306.318 0.354 20 10 DCCDHM Cc1nc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)n[nH]1 ZINC001300185213 955902601 /nfs/dbraw/zinc/90/26/01/955902601.db2.gz AETGCSJYIAJFPD-UHFFFAOYSA-N -1 3 303.322 0.487 20 10 DCCDHM C[C@H]1[C@@H](O)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001297978121 958375033 /nfs/dbraw/zinc/37/50/33/958375033.db2.gz ZUVVYHGZACYGSW-KWQFWETISA-N -1 3 314.363 0.359 20 10 DCCDHM CCOc1ccc(C[NH2+]CCn2cc(C(=O)[O-])nn2)c([O-])c1 ZINC001597105232 986734943 /nfs/dbraw/zinc/73/49/43/986734943.db2.gz JIUBDTZILPVRFV-UHFFFAOYSA-N -1 3 306.322 0.870 20 10 DCCDHM O=C(N[C@H](CO)[C@H](O)c1cccnc1)c1cccc(O)c1[O-] ZINC001471072356 1016524033 /nfs/dbraw/zinc/52/40/33/1016524033.db2.gz XQKVJCLZTQSSJS-DGCLKSJQSA-N -1 3 304.302 0.317 20 10 DCCDHM Cc1ccc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c([O-])c1O ZINC000272886520 130071127 /nfs/dbraw/zinc/07/11/27/130071127.db2.gz ABFWHOKYIALMOT-JTQLQIEISA-N -1 3 308.334 0.071 20 10 DCCDHM COc1cc([O-])c([C@@H]2NC(=O)[C@@H]3CSCCN32)cc1OC ZINC000271057516 395834257 /nfs/dbraw/zinc/83/42/57/395834257.db2.gz USPVECLCIWZNBZ-TVQRCGJNSA-N -1 3 310.375 0.955 20 10 DCCDHM C[C@@H]1COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271286350 395854842 /nfs/dbraw/zinc/85/48/42/395854842.db2.gz RCZCPHPNBNXFAK-SECBINFHSA-N -1 3 314.363 0.625 20 10 DCCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2cnccn2)CC1 ZINC000186893844 396359571 /nfs/dbraw/zinc/35/95/71/396359571.db2.gz ZZHJDDYDLFEZIN-UHFFFAOYSA-N -1 3 300.318 0.850 20 10 DCCDHM Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000527476760 417245084 /nfs/dbraw/zinc/24/50/84/417245084.db2.gz FGCIAGTUWANFLU-NSHDSACASA-N -1 3 314.345 0.701 20 10 DCCDHM O=C(NCCN1CCC2(C1)OCCO2)c1cccc(O)c1[O-] ZINC000899061321 663121974 /nfs/dbraw/zinc/12/19/74/663121974.db2.gz BOZUWSIZCIFLDR-UHFFFAOYSA-N -1 3 308.334 0.276 20 10 DCCDHM O=C(NCCN1C(=O)CCC1=O)NCc1c([O-])cccc1F ZINC000918638833 665179115 /nfs/dbraw/zinc/17/91/15/665179115.db2.gz YRKBZPJWSCAOAS-UHFFFAOYSA-N -1 3 309.297 0.480 20 10 DCCDHM CN1CCO[C@@H](CS(=O)(=O)NCc2c([O-])cccc2F)C1 ZINC000921451441 665305254 /nfs/dbraw/zinc/30/52/54/665305254.db2.gz PSCWGKCYBXZGII-SNVBAGLBSA-N -1 3 318.370 0.281 20 10 DCCDHM COC(=O)CNC(=O)CNCc1c([O-])ccc(Cl)c1F ZINC000877705951 668639794 /nfs/dbraw/zinc/63/97/94/668639794.db2.gz BMVRDOJITNWXOR-UHFFFAOYSA-N -1 3 304.705 0.564 20 10 DCCDHM C[C@H]1C[C@H](O)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000788548949 669447392 /nfs/dbraw/zinc/44/73/92/669447392.db2.gz IAGSNYMLUPCMAH-WPRPVWTQSA-N -1 3 314.363 0.359 20 10 DCCDHM NC(=O)C1=NO[C@@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000792179683 669653838 /nfs/dbraw/zinc/65/38/38/669653838.db2.gz KLQPOZGGPSJJEW-ZCFIWIBFSA-N -1 3 301.705 0.905 20 10 DCCDHM CN(Cc1c[nH]cn1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000857552191 670933647 /nfs/dbraw/zinc/93/36/47/670933647.db2.gz JILCTWYBMCTVSD-UHFFFAOYSA-N -1 3 324.362 0.759 20 10 DCCDHM C[C@@H](CCO)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000846602972 672329598 /nfs/dbraw/zinc/32/95/98/672329598.db2.gz SQZZJEBIAVIPSI-VIFPVBQESA-N -1 3 316.379 0.607 20 10 DCCDHM C[C@H]([NH2+]CCCn1cncn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960567 1166731035 /nfs/dbraw/zinc/73/10/35/1166731035.db2.gz BYTGPLZSBFWLRK-JTQLQIEISA-N -1 3 314.353 0.905 20 10 DCCDHM O=C(NCc1c(O)cccc1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001593120106 1167714934 /nfs/dbraw/zinc/71/49/34/1167714934.db2.gz YRQUUMCYTRLWHT-UHFFFAOYSA-N -1 3 300.278 0.536 20 10 DCCDHM O=C(NCc1c(O)cccc1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001593120106 1167714940 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