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([O-])C[C@@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)C(F)F ZINC000564203921 306356809 /nfs/dbraw/zinc/35/68/09/306356809.db2.gz MXPDIRRZHHGAOM-YFKPBYRVSA-N -1 2 347.261 1.738 20 0 EDADLM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@H](C(=O)[O-])C2)s[nH]1 ZINC000417803950 251277460 /nfs/dbraw/zinc/27/74/60/251277460.db2.gz YCTQQSNBXXSWDE-QMMMGPOBSA-N -1 2 338.414 1.935 20 0 EDADLM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000263266871 139332108 /nfs/dbraw/zinc/33/21/08/139332108.db2.gz VOCBZCGNUFEYBW-RYUDHWBXSA-N -1 2 329.356 1.903 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)cn1 ZINC000269645967 139965489 /nfs/dbraw/zinc/96/54/89/139965489.db2.gz SJBBNJURPRSFRX-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM CO[C@@H](C)c1nc(=NC(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)s[n-]1 ZINC000350666835 143548327 /nfs/dbraw/zinc/54/83/27/143548327.db2.gz MSUJMTDHSZPMCE-BDAKNGLRSA-N -1 2 343.453 1.434 20 0 EDADLM CC[C@@H](NC(=O)c1cnn[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123865058 287391772 /nfs/dbraw/zinc/39/17/72/287391772.db2.gz HVINXKHUTDKZOC-ZBFHGGJFSA-N -1 2 329.404 1.214 20 0 EDADLM Cc1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)s1 ZINC000436638786 305163122 /nfs/dbraw/zinc/16/31/22/305163122.db2.gz HBMJJNGJGBJDPM-UHFFFAOYSA-N -1 2 328.371 1.965 20 0 EDADLM Cc1ccc(O)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)n1 ZINC000447636971 305283397 /nfs/dbraw/zinc/28/33/97/305283397.db2.gz NPCJDXOMEVRXKF-UHFFFAOYSA-N -1 2 327.300 1.406 20 0 EDADLM CCC(=O)c1cccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1 ZINC000538090991 306030086 /nfs/dbraw/zinc/03/00/86/306030086.db2.gz JEVVIKXTOHEDLX-UHFFFAOYSA-N -1 2 337.357 1.512 20 0 EDADLM CCn1cncc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC ZINC000547545943 306103771 /nfs/dbraw/zinc/10/37/71/306103771.db2.gz UNLYHXCHMBYURU-UHFFFAOYSA-N -1 2 325.346 1.411 20 0 EDADLM C[C@H](C(=O)[O-])[C@@H](NS(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000555666219 306204833 /nfs/dbraw/zinc/20/48/33/306204833.db2.gz WEWHWGUJJLOZOH-WCBMZHEXSA-N -1 2 325.308 1.930 20 0 EDADLM CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](c2nn[nH]n2)C1)c1ccccc1 ZINC000155484733 442401907 /nfs/dbraw/zinc/40/19/07/442401907.db2.gz POFNNRWVSJUBRI-JKSUJKDBSA-N -1 2 342.447 1.989 20 0 EDADLM CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289538731 444167491 /nfs/dbraw/zinc/16/74/91/444167491.db2.gz WOABCIUGVGILCK-NWDGAFQWSA-N -1 2 347.423 1.082 20 0 EDADLM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000319675579 444325509 /nfs/dbraw/zinc/32/55/09/444325509.db2.gz USXHKZBFFORXKD-UHFFFAOYSA-N -1 2 338.341 1.609 20 0 EDADLM CCc1oncc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000337877772 444445847 /nfs/dbraw/zinc/44/58/47/444445847.db2.gz VWHGZENDXHIERR-UHFFFAOYSA-N -1 2 326.330 1.501 20 0 EDADLM CN(Cc1cc(=O)[nH]c(N)n1)[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000346020037 445204271 /nfs/dbraw/zinc/20/42/71/445204271.db2.gz VTTWIBJGGAIIPX-AWEZNQCLSA-N -1 2 349.385 1.749 20 0 EDADLM C[C@H](Sc1ccc(NS(=O)(=O)c2ccnn2C)cc1)C(=O)[O-] ZINC000349104056 445507661 /nfs/dbraw/zinc/50/76/61/445507661.db2.gz DRQFEUYELKLVIB-VIFPVBQESA-N -1 2 341.414 1.786 20 0 EDADLM C[C@@H](CONC(=O)[C@H]1CCn2c[nH+]cc2C1)NC(=O)OC(C)(C)C ZINC000366718007 446321515 /nfs/dbraw/zinc/32/15/15/446321515.db2.gz FJGFUSYETBETRE-RYUDHWBXSA-N -1 2 338.408 1.407 20 0 EDADLM C[N@@H+]1CCO[C@@H](CS(=O)(=O)NCc2nc3ccccc3s2)C1 ZINC000631660341 450699950 /nfs/dbraw/zinc/69/99/50/450699950.db2.gz OXXJNLLIKISNDK-LLVKDONJSA-N -1 2 341.458 1.046 20 0 EDADLM O=C([O-])CCCOc1ccc(S(=O)(=O)Nc2cnoc2)cc1F ZINC000625086652 451154537 /nfs/dbraw/zinc/15/45/37/451154537.db2.gz LAGJDNKOJYUIFM-UHFFFAOYSA-N -1 2 344.320 1.858 20 0 EDADLM O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000740575315 579363168 /nfs/dbraw/zinc/36/31/68/579363168.db2.gz WNBKYQSNNCSQAM-WDEREUQCSA-N -1 2 332.316 1.405 20 0 EDADLM CCCn1cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cn1 ZINC000743262174 579474475 /nfs/dbraw/zinc/47/44/75/579474475.db2.gz PJVYLDPDCMWDSR-UHFFFAOYSA-N -1 2 339.373 1.806 20 0 EDADLM O=C([O-])Cn1ccc(NS(=O)(=O)c2cccc3ncccc32)n1 ZINC000739918668 578370324 /nfs/dbraw/zinc/37/03/24/578370324.db2.gz AYYYWXDHNAIMDK-UHFFFAOYSA-N -1 2 332.341 1.317 20 0 EDADLM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1cccc2[nH+]ccn21 ZINC000736186393 578960647 /nfs/dbraw/zinc/96/06/47/578960647.db2.gz AYPYCGLFURWTPE-NSHDSACASA-N -1 2 349.354 1.920 20 0 EDADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777604568 580446216 /nfs/dbraw/zinc/44/62/16/580446216.db2.gz LNNIOLSNQGIIOL-UHFFFAOYSA-N -1 2 339.348 1.931 20 0 EDADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2cccc3nonc32)c1 ZINC000765097478 580135221 /nfs/dbraw/zinc/13/52/21/580135221.db2.gz HXKSYZVWVPAOAI-UHFFFAOYSA-N -1 2 333.325 1.651 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000776562351 580420761 /nfs/dbraw/zinc/42/07/61/580420761.db2.gz PMPBQUFPDOPMHB-MWLCHTKSSA-N -1 2 339.335 1.800 20 0 EDADLM C[C@@H](NC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000736115892 592989582 /nfs/dbraw/zinc/98/95/82/592989582.db2.gz KUKDLQKATHXPDA-VXGBXAGGSA-N -1 2 345.407 1.097 20 0 EDADLM C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736587733 593019287 /nfs/dbraw/zinc/01/92/87/593019287.db2.gz ZUHYVKONWNUIJI-ZDUSSCGKSA-N -1 2 346.431 1.046 20 0 EDADLM C[N@@H+](Cc1nnc2n1CCC2)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821607565 593879572 /nfs/dbraw/zinc/87/95/72/593879572.db2.gz URLZDQGTLIWNMT-UHFFFAOYSA-N -1 2 328.355 1.176 20 0 EDADLM O=C(NCc1cccc(-c2nn[nH]n2)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000823257862 594176852 /nfs/dbraw/zinc/17/68/52/594176852.db2.gz WEJBTEUFKZDUCT-ZDUSSCGKSA-N -1 2 338.375 1.467 20 0 EDADLM CC(C)(C(=O)[O-])[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccccc1 ZINC000826089253 594328836 /nfs/dbraw/zinc/32/88/36/594328836.db2.gz KOJCJYYPUDEXHM-PWSUYJOCSA-N -1 2 349.412 1.511 20 0 EDADLM CCC1CCC(NC(=O)C[C@@H]2SC(=N)NC2=O)(C(=O)[O-])CC1 ZINC000829086266 594565070 /nfs/dbraw/zinc/56/50/70/594565070.db2.gz JYOBDEAHDIQTCN-PUUHTONNSA-N -1 2 327.406 1.083 20 0 EDADLM CC(C)C[C@@H](NC(=O)COC(=O)c1cc(F)c(O)c(F)c1)C(=O)[O-] ZINC000826794180 594577386 /nfs/dbraw/zinc/57/73/86/594577386.db2.gz VWCVSIWMSAIHGG-LLVKDONJSA-N -1 2 345.298 1.443 20 0 EDADLM CC(C)Cc1nnc(NS(=O)(=O)c2csnc2C(=O)[O-])s1 ZINC000826912946 594600674 /nfs/dbraw/zinc/60/06/74/594600674.db2.gz KVPVOAYLHLGZCF-UHFFFAOYSA-N -1 2 348.431 1.692 20 0 EDADLM CCCCc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])[nH]n1 ZINC000829430599 594612206 /nfs/dbraw/zinc/61/22/06/594612206.db2.gz GJAVOYCVWRFALH-UHFFFAOYSA-N -1 2 330.391 1.708 20 0 EDADLM CCCCc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])o2)s1 ZINC000829439860 594613033 /nfs/dbraw/zinc/61/30/33/594613033.db2.gz FDDQXUZQOAKPJO-UHFFFAOYSA-N -1 2 331.375 1.973 20 0 EDADLM CC(C)n1cc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cn1 ZINC000827186470 594651000 /nfs/dbraw/zinc/65/10/00/594651000.db2.gz KAUAXEKLSUIAEJ-UHFFFAOYSA-N -1 2 344.418 1.739 20 0 EDADLM COCc1csc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n1 ZINC000831822239 594705422 /nfs/dbraw/zinc/70/54/22/594705422.db2.gz YKLYNNDLPFLOEN-UHFFFAOYSA-N -1 2 332.359 1.690 20 0 EDADLM Cc1n[nH]cc1S(=O)(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000832848953 594780890 /nfs/dbraw/zinc/78/08/90/594780890.db2.gz QDJYCJCKMJKXGM-UHFFFAOYSA-N -1 2 345.764 1.636 20 0 EDADLM Cc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000832860418 594781664 /nfs/dbraw/zinc/78/16/64/594781664.db2.gz XMXPLPZUTURUOC-MRVPVSSYSA-N -1 2 346.343 1.070 20 0 EDADLM N=C1NC(=O)C(CC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)S1 ZINC000833089701 594796991 /nfs/dbraw/zinc/79/69/91/594796991.db2.gz UZEQINYVVPNLTJ-KWQFWETISA-N -1 2 333.369 1.148 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)S1 ZINC000833089701 594796992 /nfs/dbraw/zinc/79/69/92/594796992.db2.gz UZEQINYVVPNLTJ-KWQFWETISA-N -1 2 333.369 1.148 20 0 EDADLM O=C([O-])CSCCNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000833262558 594815701 /nfs/dbraw/zinc/81/57/01/594815701.db2.gz UHCDXRRGYBFCJJ-UHFFFAOYSA-N -1 2 339.348 1.265 20 0 EDADLM CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)N=[S@](C)(=O)CC ZINC000866783671 596342730 /nfs/dbraw/zinc/34/27/30/596342730.db2.gz QSFKORAPNOVQDR-HXPMCKFVSA-N -1 2 325.500 1.203 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@H](C(=O)[O-])C2CCCC2)c(C)o1 ZINC000863958192 596730404 /nfs/dbraw/zinc/73/04/04/596730404.db2.gz OLQFBROVDRSOTA-GFCCVEGCSA-N -1 2 329.374 1.592 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000274926530 540057411 /nfs/dbraw/zinc/05/74/11/540057411.db2.gz CEKWKHQWAVUUAS-XCBNKYQSSA-N -1 2 343.298 1.692 20 0 EDADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000318915400 140658131 /nfs/dbraw/zinc/65/81/31/140658131.db2.gz TYRMURQADYYSEX-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OCCO)cc2)c1 ZINC000347384379 143315274 /nfs/dbraw/zinc/31/52/74/143315274.db2.gz AACOFPLSOCMCQP-UHFFFAOYSA-N -1 2 343.382 1.618 20 0 EDADLM CO[C@H](C)c1nc(=NC(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)s[n-]1 ZINC000350666838 143548298 /nfs/dbraw/zinc/54/82/98/143548298.db2.gz MSUJMTDHSZPMCE-RKDXNWHRSA-N -1 2 343.453 1.434 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cccc(Cl)c2F)c1C(=O)[O-] ZINC000539842110 306037558 /nfs/dbraw/zinc/03/75/58/306037558.db2.gz UQIDKVCKGOWRTE-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cccnc2-n2cncn2)c1 ZINC000059893525 441230636 /nfs/dbraw/zinc/23/06/36/441230636.db2.gz CGMQREPOEJKFCM-UHFFFAOYSA-N -1 2 345.340 1.161 20 0 EDADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccn(CC(F)F)n1 ZINC000150734113 441939093 /nfs/dbraw/zinc/93/90/93/441939093.db2.gz MECIODAMZKPCDC-UHFFFAOYSA-N -1 2 345.327 1.956 20 0 EDADLM COCCCn1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000265301702 443600732 /nfs/dbraw/zinc/60/07/32/443600732.db2.gz VCEYZVXRINQAEQ-UHFFFAOYSA-N -1 2 339.373 1.419 20 0 EDADLM CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)[nH]n1 ZINC000542836811 320785704 /nfs/dbraw/zinc/78/57/04/320785704.db2.gz USPMZVOTWASKKU-UHFFFAOYSA-N -1 2 339.329 1.085 20 0 EDADLM O=C1N=NC(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)N1C[C@H]1CCCO1 ZINC000329324180 444535658 /nfs/dbraw/zinc/53/56/58/444535658.db2.gz SHKHZXWPORGJJP-UPJWGTAASA-N -1 2 340.449 1.118 20 0 EDADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cnc(C)nc1 ZINC000343264219 445167292 /nfs/dbraw/zinc/16/72/92/445167292.db2.gz RTSOGHFZEGKEPQ-UHFFFAOYSA-N -1 2 337.357 1.222 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCO3)cs1 ZINC000359858725 445462816 /nfs/dbraw/zinc/46/28/16/445462816.db2.gz RESLLUVPJJOZBT-UHFFFAOYSA-N -1 2 327.339 1.976 20 0 EDADLM Cn1cnc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC000349105477 445508297 /nfs/dbraw/zinc/50/82/97/445508297.db2.gz HZFXHWYGMDDUPK-UHFFFAOYSA-N -1 2 325.346 1.074 20 0 EDADLM COCc1nc(=NC(=O)c2nc[nH]c2C(=O)c2ccccc2)s[n-]1 ZINC000355921212 445530983 /nfs/dbraw/zinc/53/09/83/445530983.db2.gz IWDANIFLHQRWGO-UHFFFAOYSA-N -1 2 343.368 1.313 20 0 EDADLM COCc1nc(=NC(=O)c2[nH]cnc2C(=O)c2ccccc2)s[n-]1 ZINC000355921212 445530987 /nfs/dbraw/zinc/53/09/87/445530987.db2.gz IWDANIFLHQRWGO-UHFFFAOYSA-N -1 2 343.368 1.313 20 0 EDADLM CCC(=O)N1CC[C@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)C1 ZINC000366449455 446220052 /nfs/dbraw/zinc/22/00/52/446220052.db2.gz LTVMBGSTUCZWOO-VIFPVBQESA-N -1 2 349.341 1.947 20 0 EDADLM O=C(NCCC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1)C(F)(F)F ZINC000375744698 447018499 /nfs/dbraw/zinc/01/84/99/447018499.db2.gz OHPCKCUFTZIHLN-SNVBAGLBSA-N -1 2 336.276 1.834 20 0 EDADLM [NH3+][C@H](C(=O)N1CCC(C2N=NC(=O)O2)CC1)c1c(F)cccc1F ZINC000575986800 447943889 /nfs/dbraw/zinc/94/38/89/447943889.db2.gz PXRODRPERZRDEZ-LBPRGKRZSA-N -1 2 338.314 1.459 20 0 EDADLM NC(=O)NC(=O)OCCC[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000497028445 448137907 /nfs/dbraw/zinc/13/79/07/448137907.db2.gz NGHDHDDBDRIJTJ-ZDUSSCGKSA-N -1 2 325.340 1.394 20 0 EDADLM COC(=O)c1nscc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000532045223 448187510 /nfs/dbraw/zinc/18/75/10/448187510.db2.gz NZBBKRCLFNYHRM-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM CC(C)(C)c1nc(=NC(=O)N2CCC[C@H](CC(=O)[O-])C2)s[nH]1 ZINC000577998796 448435604 /nfs/dbraw/zinc/43/56/04/448435604.db2.gz ZWETXOYUXKRNFC-SECBINFHSA-N -1 2 326.422 1.976 20 0 EDADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)onc1N ZINC000578830576 448643201 /nfs/dbraw/zinc/64/32/01/448643201.db2.gz OYLSGKVUPQJMIK-UHFFFAOYSA-N -1 2 325.346 1.627 20 0 EDADLM COc1ccc(O)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000631945938 450903585 /nfs/dbraw/zinc/90/35/85/450903585.db2.gz NLWHFQRQCUSBFE-GFCCVEGCSA-N -1 2 326.418 1.258 20 0 EDADLM O=C([O-])CC1(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)CCCCC1 ZINC000663120501 453692891 /nfs/dbraw/zinc/69/28/91/453692891.db2.gz WAGFLHCSYKOSRT-UHFFFAOYSA-N -1 2 346.343 1.343 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(CCO)c2)c(Cl)c1 ZINC000676075877 486658304 /nfs/dbraw/zinc/65/83/04/486658304.db2.gz KITRRKWCVGEYJW-UHFFFAOYSA-N -1 2 345.764 1.028 20 0 EDADLM Cc1c(Cl)cccc1S(=O)(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000738290388 578352951 /nfs/dbraw/zinc/35/29/51/578352951.db2.gz ALPPLPSRKKHAPY-UHFFFAOYSA-N -1 2 329.765 1.730 20 0 EDADLM CCOc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)cc1C ZINC000737211053 579056878 /nfs/dbraw/zinc/05/68/78/579056878.db2.gz TVKJTZLDEUVLEC-UHFFFAOYSA-N -1 2 339.373 1.476 20 0 EDADLM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000738208295 579172402 /nfs/dbraw/zinc/17/24/02/579172402.db2.gz PQCPLWSIAVRTEM-UHFFFAOYSA-N -1 2 340.295 1.695 20 0 EDADLM Cn1ccnc1C[NH2+]C1(C(=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000904011036 592411326 /nfs/dbraw/zinc/41/13/26/592411326.db2.gz WLJPSGJYZJGKOM-UHFFFAOYSA-N -1 2 328.416 1.629 20 0 EDADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000831851798 594707354 /nfs/dbraw/zinc/70/73/54/594707354.db2.gz JRHRMHQXIFZHDM-UHFFFAOYSA-N -1 2 347.299 1.055 20 0 EDADLM COc1ccc(C)cc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832264674 594738953 /nfs/dbraw/zinc/73/89/53/594738953.db2.gz FQOPVVBXPUEJFC-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1NC(=O)C(F)(F)F ZINC000852756538 595529113 /nfs/dbraw/zinc/52/91/13/595529113.db2.gz MTGXJSXPDMGVRX-YPMHNXCESA-N -1 2 332.370 1.742 20 0 EDADLM CC(C)(CO)O[N-]C(=O)C1=NN(c2ccc(F)cc2F)CC1=O ZINC000854753350 596188048 /nfs/dbraw/zinc/18/80/48/596188048.db2.gz DVGHKKVFCYEPHY-UHFFFAOYSA-N -1 2 327.287 1.288 20 0 EDADLM C[C@H](NS(=O)(=O)c1ccc(C(F)F)o1)[C@H]1C[N@H+](C)CCN1C ZINC000919981151 697377006 /nfs/dbraw/zinc/37/70/06/697377006.db2.gz IPIHUBLPGXSOKJ-VHSXEESVSA-N -1 2 337.392 1.130 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NCc1ccccc1CC(=O)[O-] ZINC000275163657 540058640 /nfs/dbraw/zinc/05/86/40/540058640.db2.gz AXVGZPSQEVXNNP-QMMMGPOBSA-N -1 2 325.308 1.684 20 0 EDADLM O=C([O-])Cn1cc(NS(=O)(=O)c2ccc(F)cc2Cl)cn1 ZINC000038030409 202089920 /nfs/dbraw/zinc/08/99/20/202089920.db2.gz CGOHXDLYHQWZFY-UHFFFAOYSA-N -1 2 333.728 1.561 20 0 EDADLM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000119447253 138314206 /nfs/dbraw/zinc/31/42/06/138314206.db2.gz JNGKTWSYAJDRCL-ZDUSSCGKSA-N -1 2 340.387 1.991 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000237257380 139045712 /nfs/dbraw/zinc/04/57/12/139045712.db2.gz DQAADIMOUSVGPG-UHFFFAOYSA-N -1 2 343.364 1.955 20 0 EDADLM Cc1ccc(S([O-])=CC(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1 ZINC000131971753 205309135 /nfs/dbraw/zinc/30/91/35/205309135.db2.gz ZQGKMZCICINAAN-LFVRLGFBSA-N -1 2 336.457 1.620 20 0 EDADLM CCc1cc2c(C[N@@H+](CCOC)[C@@H](C)C(N)=O)cc(=O)oc2cc1O ZINC000155639495 206022355 /nfs/dbraw/zinc/02/23/55/206022355.db2.gz CCSGNTCVJKUFAZ-NSHDSACASA-N -1 2 348.399 1.383 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)=N1 ZINC000263250735 139331063 /nfs/dbraw/zinc/33/10/63/139331063.db2.gz SUSWJUSUPFQHEI-ZYHUDNBSSA-N -1 2 347.346 1.818 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)c[nH]1 ZINC000357551160 151065386 /nfs/dbraw/zinc/06/53/86/151065386.db2.gz SUDQYDJXMKHBJB-UHFFFAOYSA-N -1 2 347.356 1.154 20 0 EDADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)[C@@H]1CCOC1 ZINC000274997085 268259618 /nfs/dbraw/zinc/25/96/18/268259618.db2.gz LHRQPKOACVCWKR-LLVKDONJSA-N -1 2 329.374 1.243 20 0 EDADLM CCn1cncc1S(=O)(=O)Nc1cc(F)c(C)cc1C(=O)[O-] ZINC000548261583 306122915 /nfs/dbraw/zinc/12/29/15/306122915.db2.gz CZSMMDAARKWQMQ-UHFFFAOYSA-N -1 2 327.337 1.850 20 0 EDADLM CC(C)c1cccc(NC(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000192646446 442671792 /nfs/dbraw/zinc/67/17/92/442671792.db2.gz MNEDISZZWAXULQ-GOSISDBHSA-N -1 2 344.415 1.423 20 0 EDADLM C[N@H+]1CCN(CCNC(=O)c2cc(F)cc(Cl)c2O)CC1(C)C ZINC000282620420 443391188 /nfs/dbraw/zinc/39/11/88/443391188.db2.gz RQZLWLIYDHELDK-UHFFFAOYSA-N -1 2 343.830 1.941 20 0 EDADLM CC[N@H+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)[C@H](C)C1 ZINC000288528177 443908884 /nfs/dbraw/zinc/90/88/84/443908884.db2.gz RPHOYKABPYPKOY-LLVKDONJSA-N -1 2 346.456 1.388 20 0 EDADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cccnc2)c1OC ZINC000548594380 320887146 /nfs/dbraw/zinc/88/71/46/320887146.db2.gz GAWBZTWKUXIJFE-UHFFFAOYSA-N -1 2 338.341 1.598 20 0 EDADLM COC(=O)[C@@H]1CC[C@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000288980578 444027086 /nfs/dbraw/zinc/02/70/86/444027086.db2.gz YIZTZKIHDDSGGN-HTQZYQBOSA-N -1 2 336.298 1.888 20 0 EDADLM C[C@@H](CNS(=O)(=O)c1cscn1)[N@@H+]1CCc2ccccc2C1 ZINC000568625242 321299619 /nfs/dbraw/zinc/29/96/19/321299619.db2.gz WZMWZBYKJZSEPX-LBPRGKRZSA-N -1 2 337.470 1.868 20 0 EDADLM COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)nn1 ZINC000290090763 444240948 /nfs/dbraw/zinc/24/09/48/444240948.db2.gz HTWTYKZUJXOJMB-JTQLQIEISA-N -1 2 332.326 1.376 20 0 EDADLM Cc1ccc(C(=O)N2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C)c(O)c1 ZINC000368397337 446836806 /nfs/dbraw/zinc/83/68/06/446836806.db2.gz LTPQHZFVKSEWSF-HOTGVXAUSA-N -1 2 347.459 1.178 20 0 EDADLM COc1cccc(S(O)=CC(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000424635501 446914211 /nfs/dbraw/zinc/91/42/11/446914211.db2.gz GDCGSRRMDSWDAB-HSZRJFAPSA-N -1 2 338.473 1.746 20 0 EDADLM O=C(NCc1[nH+]ccn1CC(F)(F)F)NCc1ncccc1O ZINC000471844858 447815167 /nfs/dbraw/zinc/81/51/67/447815167.db2.gz MKJVRDOQPKXWNS-UHFFFAOYSA-N -1 2 329.282 1.545 20 0 EDADLM O=C(c1cc2nc[nH]c2cc1F)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000578741897 448624575 /nfs/dbraw/zinc/62/45/75/448624575.db2.gz LEJZVLSOXPXARB-QMMMGPOBSA-N -1 2 331.307 1.810 20 0 EDADLM C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)C1 ZINC000604604865 449263666 /nfs/dbraw/zinc/26/36/66/449263666.db2.gz DMVBAWCQDJFMAE-CYBMUJFWSA-N -1 2 339.386 1.522 20 0 EDADLM COCC[N@H+]1CCN(C(=O)c2ccc(C(C)=O)c(O)c2)C(C)(C)C1 ZINC000616559836 450451008 /nfs/dbraw/zinc/45/10/08/450451008.db2.gz PZKXSJJZGUIXCB-UHFFFAOYSA-N -1 2 334.416 1.778 20 0 EDADLM Cn1[nH]c([C@H]2CCC[N@H+]2Cc2ccc3oc(=O)n(C)c3c2)nc1=N ZINC000639625471 451981526 /nfs/dbraw/zinc/98/15/26/451981526.db2.gz WOBGWXBBZWXPEG-LLVKDONJSA-N -1 2 328.376 1.010 20 0 EDADLM O=C([O-])c1ccc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH+]c1 ZINC000662883236 453586553 /nfs/dbraw/zinc/58/65/53/453586553.db2.gz KORVHSSPUOVLHV-INIZCTEOSA-N -1 2 327.384 1.959 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cnn(C)c1 ZINC000339408642 536540841 /nfs/dbraw/zinc/54/08/41/536540841.db2.gz CTXFRQOWSCDIGE-UHFFFAOYSA-N -1 2 329.309 1.067 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1c[nH]nc1C ZINC000339413177 536539951 /nfs/dbraw/zinc/53/99/51/536539951.db2.gz UUCBXUNVWCIDNK-UHFFFAOYSA-N -1 2 329.309 1.365 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)ccc1F ZINC000743268641 579474593 /nfs/dbraw/zinc/47/45/93/579474593.db2.gz BZOONBNIPBSONV-UHFFFAOYSA-N -1 2 339.348 1.931 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Oc2ccc(CC(=O)[O-])cc2)c[nH]1 ZINC000737679676 578305871 /nfs/dbraw/zinc/30/58/71/578305871.db2.gz CCKKJCWWSUOCGI-UHFFFAOYSA-N -1 2 339.325 1.196 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)nc2)c1 ZINC000751210049 579797557 /nfs/dbraw/zinc/79/75/57/579797557.db2.gz MSVITQRCVKUHCJ-UHFFFAOYSA-N -1 2 328.733 1.940 20 0 EDADLM Cc1c(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cnn1C ZINC000756806955 579957387 /nfs/dbraw/zinc/95/73/87/579957387.db2.gz XSQSLXCPYSOSOG-UHFFFAOYSA-N -1 2 331.300 1.506 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000788454602 580721638 /nfs/dbraw/zinc/72/16/38/580721638.db2.gz MGBZUFBSOAFNAR-WPRPVWTQSA-N -1 2 325.308 1.725 20 0 EDADLM C[C@H]([C@H](C)NC(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000736115381 592989952 /nfs/dbraw/zinc/98/99/52/592989952.db2.gz HSEIPYQNNJQDHO-NWDGAFQWSA-N -1 2 345.407 1.097 20 0 EDADLM C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820307827 593808522 /nfs/dbraw/zinc/80/85/22/593808522.db2.gz PDYQLQHUVUCXAJ-SNVBAGLBSA-N -1 2 344.354 1.090 20 0 EDADLM C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000820715317 593869421 /nfs/dbraw/zinc/86/94/21/593869421.db2.gz ALAHJTXBDQGSHN-FZMZJTMJSA-N -1 2 338.375 1.182 20 0 EDADLM CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000824109154 593931442 /nfs/dbraw/zinc/93/14/42/593931442.db2.gz NXRLYTNALYPWPM-NSHDSACASA-N -1 2 348.407 1.949 20 0 EDADLM O=C([O-])c1cc2cccnc2c(NS(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000821107106 593967164 /nfs/dbraw/zinc/96/71/64/593967164.db2.gz UJEVKQFCGAUWPB-LBPRGKRZSA-N -1 2 336.369 1.854 20 0 EDADLM CC[N@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccn1 ZINC000821170596 593982294 /nfs/dbraw/zinc/98/22/94/593982294.db2.gz UINDCHCQTHNCOW-UHFFFAOYSA-N -1 2 343.416 1.784 20 0 EDADLM CC[N@@H+](CC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccccn1 ZINC000821170596 593982295 /nfs/dbraw/zinc/98/22/95/593982295.db2.gz UINDCHCQTHNCOW-UHFFFAOYSA-N -1 2 343.416 1.784 20 0 EDADLM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2c(O)cc(F)cc2F)CCO1 ZINC000825328995 594168221 /nfs/dbraw/zinc/16/82/21/594168221.db2.gz XYYJKKKJVWYLHF-HQJQHLMTSA-N -1 2 330.287 1.168 20 0 EDADLM O=C([O-])N1CC[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000831600144 594686696 /nfs/dbraw/zinc/68/66/96/594686696.db2.gz XIYAEGMLWVFRHE-SNVBAGLBSA-N -1 2 334.307 1.199 20 0 EDADLM Cc1c(Cl)cccc1S(=O)(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000832854416 594781067 /nfs/dbraw/zinc/78/10/67/594781067.db2.gz HYLPVZUUAOZYKN-UHFFFAOYSA-N -1 2 330.753 1.125 20 0 EDADLM O=C([O-])Cn1ccc(NS(=O)(=O)c2cccc3c2CCCC3)n1 ZINC000833277403 594819468 /nfs/dbraw/zinc/81/94/68/594819468.db2.gz PVQHHZOKFZBRFD-UHFFFAOYSA-N -1 2 335.385 1.647 20 0 EDADLM O=S(=O)(N[C@@H]1C[NH2+]CCC1(F)F)C1=Cc2ccccc2OC1 ZINC000842894711 595228259 /nfs/dbraw/zinc/22/82/59/595228259.db2.gz QVTWQMDYINQZFW-CYBMUJFWSA-N -1 2 330.356 1.337 20 0 EDADLM C[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)c1nc(C(=O)[O-])cs1 ZINC000848682702 595428193 /nfs/dbraw/zinc/42/81/93/595428193.db2.gz DSTPTGGUCDSPGF-WHFBIAKZSA-N -1 2 332.325 1.773 20 0 EDADLM CO[C@H](C[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])C1CC1 ZINC000848683820 595428296 /nfs/dbraw/zinc/42/82/96/595428296.db2.gz YAMRELLPYXOMJE-BWVDBABLSA-N -1 2 333.328 1.125 20 0 EDADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nnc(C)s1 ZINC000123510201 596480648 /nfs/dbraw/zinc/48/06/48/596480648.db2.gz CZYDSLLNGMLHSI-UHFFFAOYSA-N -1 2 329.359 1.354 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000318543753 601501797 /nfs/dbraw/zinc/50/17/97/601501797.db2.gz LAJHHDOZMWMPRL-YVMONPNESA-N -1 2 339.398 1.999 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000091021285 605006967 /nfs/dbraw/zinc/00/69/67/605006967.db2.gz AHWNSINPICUROT-UHFFFAOYSA-N -1 2 345.327 1.760 20 0 EDADLM Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)c3c(C)nc[nH]c3=O)[C@H](C)C2)co1 ZINC000942568856 703083952 /nfs/dbraw/zinc/08/39/52/703083952.db2.gz BCTPFPJTMVWRIM-QMTHXVAHSA-N -1 2 345.403 1.427 20 0 EDADLM Cc1nc([C@@H](C)NS(=O)(=O)CC(F)(F)F)sc1C(=O)[O-] ZINC000563080593 306317811 /nfs/dbraw/zinc/31/78/11/306317811.db2.gz GOWYRRIJPMQMRL-RXMQYKEDSA-N -1 2 332.325 1.692 20 0 EDADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2cccnc2)n1 ZINC000160004318 201410690 /nfs/dbraw/zinc/41/06/90/201410690.db2.gz GSBFGVYZAJZPDS-UHFFFAOYSA-N -1 2 327.387 1.746 20 0 EDADLM CCC[N@H+](Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495271452 255277101 /nfs/dbraw/zinc/27/71/01/255277101.db2.gz RYQOHYZIUMMPOA-GFCCVEGCSA-N -1 2 339.440 1.330 20 0 EDADLM COc1cc(F)c(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000357336893 151000078 /nfs/dbraw/zinc/00/00/78/151000078.db2.gz GAXIPDVVVYSKAQ-UHFFFAOYSA-N -1 2 346.311 1.811 20 0 EDADLM C[N@H+]1CCO[C@H]2CN(C(=O)c3cc(O)ccc3C(F)(F)F)C[C@@H]21 ZINC000407988240 158234742 /nfs/dbraw/zinc/23/47/42/158234742.db2.gz GVXSRAPAUFYZCW-STQMWFEESA-N -1 2 330.306 1.566 20 0 EDADLM Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000424239402 301094463 /nfs/dbraw/zinc/09/44/63/301094463.db2.gz CQMVKIZCYGSBOT-RDDDGLTNSA-N -1 2 346.343 1.070 20 0 EDADLM COCCn1ccc(NS(=O)(=O)c2cccc(Cl)c2[O-])n1 ZINC000436479649 305158245 /nfs/dbraw/zinc/15/82/45/305158245.db2.gz WPRUUEUUHYKVFR-UHFFFAOYSA-N -1 2 331.781 1.689 20 0 EDADLM COCCn1ccc([N-]S(=O)(=O)c2cccc(Cl)c2O)n1 ZINC000436479649 305158246 /nfs/dbraw/zinc/15/82/46/305158246.db2.gz WPRUUEUUHYKVFR-UHFFFAOYSA-N -1 2 331.781 1.689 20 0 EDADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000436902318 305169212 /nfs/dbraw/zinc/16/92/12/305169212.db2.gz FIVGOYHGIICQRO-UHFFFAOYSA-N -1 2 348.340 1.471 20 0 EDADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c1 ZINC000436902318 305169213 /nfs/dbraw/zinc/16/92/13/305169213.db2.gz FIVGOYHGIICQRO-UHFFFAOYSA-N -1 2 348.340 1.471 20 0 EDADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000436902318 305169214 /nfs/dbraw/zinc/16/92/14/305169214.db2.gz FIVGOYHGIICQRO-UHFFFAOYSA-N -1 2 348.340 1.471 20 0 EDADLM COCCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000037055041 441611417 /nfs/dbraw/zinc/61/14/17/441611417.db2.gz MKKATXPUTAUSDV-UHFFFAOYSA-N -1 2 331.375 1.090 20 0 EDADLM Cc1c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cnn1C ZINC000314018587 444298528 /nfs/dbraw/zinc/29/85/28/444298528.db2.gz RWWUGQIOEGQBMD-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM COc1ccc(O)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000342787512 444867086 /nfs/dbraw/zinc/86/70/86/444867086.db2.gz XLZUBQDZPXMZIX-UHFFFAOYSA-N -1 2 337.353 1.829 20 0 EDADLM C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371078100 446615077 /nfs/dbraw/zinc/61/50/77/446615077.db2.gz ZCCVQKGNOKZUAN-SCBBOUAQSA-N -1 2 346.475 1.963 20 0 EDADLM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000442752764 446952713 /nfs/dbraw/zinc/95/27/13/446952713.db2.gz UHBIOPGUELCCBX-MRVPVSSYSA-N -1 2 334.332 1.070 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000569977768 447929718 /nfs/dbraw/zinc/92/97/18/447929718.db2.gz PJTXNPOOIWDTIK-KCJUWKMLSA-N -1 2 347.364 1.842 20 0 EDADLM CCO[C@H]1C[C@@](NC(=O)c2cccc3[nH]nnc32)(C(=O)OC)C1(C)C ZINC000526121248 448104271 /nfs/dbraw/zinc/10/42/71/448104271.db2.gz GJACLZCLNPAXKY-YVEFUNNKSA-N -1 2 346.387 1.435 20 0 EDADLM Cc1onc(N)c1S(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000583910399 448465420 /nfs/dbraw/zinc/46/54/20/448465420.db2.gz ZXZILLPLSKYIOR-UHFFFAOYSA-N -1 2 345.764 2.026 20 0 EDADLM CO[C@]1(C(=O)[O-])CC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000530170980 449069887 /nfs/dbraw/zinc/06/98/87/449069887.db2.gz VJLKELJOJGEGSO-IEBWSBKVSA-N -1 2 348.443 1.453 20 0 EDADLM COC(=O)c1csc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000595382353 450096639 /nfs/dbraw/zinc/09/66/39/450096639.db2.gz GANSVHFRAOVLPW-QMMMGPOBSA-N -1 2 329.403 1.308 20 0 EDADLM CSc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1 ZINC000678716266 487356064 /nfs/dbraw/zinc/35/60/64/487356064.db2.gz CCBCXSZQFDXFKH-UHFFFAOYSA-N -1 2 327.387 1.641 20 0 EDADLM Cc1noc(C)c1S(=O)(=O)Nc1cccc(CNC(=O)[O-])c1 ZINC000740264945 579324461 /nfs/dbraw/zinc/32/44/61/579324461.db2.gz PGCDGTNTXUSORD-UHFFFAOYSA-N -1 2 325.346 1.860 20 0 EDADLM COc1cccnc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738143232 578572238 /nfs/dbraw/zinc/57/22/38/578572238.db2.gz ROPKBGVBOVTGPR-UHFFFAOYSA-N -1 2 326.305 1.728 20 0 EDADLM CC(C)[C@@H](NC(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000736365294 578982689 /nfs/dbraw/zinc/98/26/89/578982689.db2.gz UPHNBIQNXFWOLY-SNVBAGLBSA-N -1 2 338.389 1.648 20 0 EDADLM CN(C[C@H]1CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1)C(=O)[O-] ZINC000739657010 579231867 /nfs/dbraw/zinc/23/18/67/579231867.db2.gz OFFXTJWTPTZNTK-SNVBAGLBSA-N -1 2 346.343 1.102 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)NCC[C@@H]3CCN(C(=O)[O-])C3)c[n-]c2[nH+]1 ZINC000740154702 579294525 /nfs/dbraw/zinc/29/45/25/579294525.db2.gz QUYNGNKVGBNRPU-LLVKDONJSA-N -1 2 344.371 1.764 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)NCC[C@@H]3CCN(C(=O)[O-])C3)c[nH]c2n1 ZINC000740154702 579294527 /nfs/dbraw/zinc/29/45/27/579294527.db2.gz QUYNGNKVGBNRPU-LLVKDONJSA-N -1 2 344.371 1.764 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc3nonc32)cc1F ZINC000754759416 579911141 /nfs/dbraw/zinc/91/11/41/579911141.db2.gz SRDAWUJEKHXZNK-UHFFFAOYSA-N -1 2 337.288 1.861 20 0 EDADLM O=C(Cn1[nH]cc2c(=O)ncnc1-2)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769247403 580231912 /nfs/dbraw/zinc/23/19/12/580231912.db2.gz JMPLXBPGSIEJSS-UHFFFAOYSA-N -1 2 342.340 1.140 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N3CCC(C(=O)[O-])CC3)=N2)cc1 ZINC000820804965 593894026 /nfs/dbraw/zinc/89/40/26/593894026.db2.gz CZWGBHRAVRDKOQ-UHFFFAOYSA-N -1 2 345.355 1.523 20 0 EDADLM CCn1cc(S(=O)(=O)NC(=O)c2ccc(NC(=O)[O-])cc2)cn1 ZINC000827706168 594261588 /nfs/dbraw/zinc/26/15/88/594261588.db2.gz IIPIUBDPZPEBHA-UHFFFAOYSA-N -1 2 338.345 1.112 20 0 EDADLM C[C@@H]1CC/C(=C\C(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828200196 594363927 /nfs/dbraw/zinc/36/39/27/594363927.db2.gz CKMFQCOLKVFOAO-KGOFQHAKSA-N -1 2 329.399 1.998 20 0 EDADLM CN(C)c1ccccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000830647819 594446821 /nfs/dbraw/zinc/44/68/21/594446821.db2.gz XALGYTLMWJHBLL-UHFFFAOYSA-N -1 2 327.387 1.708 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1F ZINC000832468546 594752587 /nfs/dbraw/zinc/75/25/87/594752587.db2.gz JGKZWOWSIKLXKQ-UHFFFAOYSA-N -1 2 332.334 1.790 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1C(=O)[O-] ZINC000833056116 594794801 /nfs/dbraw/zinc/79/48/01/594794801.db2.gz XUBISOZMCDAAGE-UHFFFAOYSA-N -1 2 346.368 1.710 20 0 EDADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1 ZINC000833232121 594810266 /nfs/dbraw/zinc/81/02/66/594810266.db2.gz LKQJKYIUOYQOLE-UHFFFAOYSA-N -1 2 345.377 1.885 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)ccc1O ZINC000833306024 594824176 /nfs/dbraw/zinc/82/41/76/594824176.db2.gz LKLFGWIBAXXJEP-UHFFFAOYSA-N -1 2 334.313 1.163 20 0 EDADLM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccn(CC(F)F)n1 ZINC000833335657 594829344 /nfs/dbraw/zinc/82/93/44/594829344.db2.gz YQYMMIIOYCWUDU-UHFFFAOYSA-N -1 2 331.300 1.647 20 0 EDADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncn(C(C)(C)C)n1 ZINC000833747839 594921027 /nfs/dbraw/zinc/92/10/27/594921027.db2.gz LEQYBFAJYQACML-UHFFFAOYSA-N -1 2 338.389 1.841 20 0 EDADLM C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NOCC[NH+](C)C ZINC000833859275 594950719 /nfs/dbraw/zinc/95/07/19/594950719.db2.gz FNYYMXXPLNBLHM-NSHDSACASA-N -1 2 343.424 1.495 20 0 EDADLM COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)nc1 ZINC000852757403 595529510 /nfs/dbraw/zinc/52/95/10/595529510.db2.gz UCYMIBWINWBRJH-MFKMUULPSA-N -1 2 331.338 1.979 20 0 EDADLM CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3O)o2)C1 ZINC000878990541 597776842 /nfs/dbraw/zinc/77/68/42/597776842.db2.gz KEIBCKAKDMUXTH-GFCCVEGCSA-N -1 2 345.403 1.630 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c(C)s1 ZINC000037461828 600051136 /nfs/dbraw/zinc/05/11/36/600051136.db2.gz OUBDPSAAXJCVBQ-UHFFFAOYSA-N -1 2 332.428 2.249 20 0 EDADLM Cc1nc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])sc1C ZINC000049099159 600054240 /nfs/dbraw/zinc/05/42/40/600054240.db2.gz QERHYJWTXIWQPX-UHFFFAOYSA-N -1 2 330.387 2.469 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)cn1 ZINC000383731818 600679997 /nfs/dbraw/zinc/67/99/97/600679997.db2.gz MFAQPKULSKTAMP-UHFFFAOYSA-N -1 2 337.357 1.094 20 0 EDADLM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000275078368 540057990 /nfs/dbraw/zinc/05/79/90/540057990.db2.gz MSNVJSJZGBENFD-CBAPKCEASA-N -1 2 343.327 1.033 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000275312596 540058896 /nfs/dbraw/zinc/05/88/96/540058896.db2.gz RMLYPFKMOYWFKL-RCOVLWMOSA-N -1 2 329.271 1.822 20 0 EDADLM COc1cccc([C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])c1 ZINC000275338067 540058986 /nfs/dbraw/zinc/05/89/86/540058986.db2.gz UZBBBRHBXKOXJC-OIBJUYFYSA-N -1 2 341.307 1.691 20 0 EDADLM CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000565837198 306393089 /nfs/dbraw/zinc/39/30/89/306393089.db2.gz MXHYQKIDKLEZTN-AWEZNQCLSA-N -1 2 340.445 1.419 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(CC(=O)[O-])C(C)C)=N1 ZINC000194953714 139003315 /nfs/dbraw/zinc/00/33/15/139003315.db2.gz WMKBGYMZQNGMRH-UHFFFAOYSA-N -1 2 335.335 1.961 20 0 EDADLM Cn1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(C(F)(F)F)n1 ZINC000352452828 162189162 /nfs/dbraw/zinc/18/91/62/162189162.db2.gz ITNSORGORXLSQS-UHFFFAOYSA-N -1 2 349.290 1.938 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)[C@@H]1CCCOC1 ZINC000274919710 268238439 /nfs/dbraw/zinc/23/84/39/268238439.db2.gz AQFBGYMGBSCGTL-MRVPVSSYSA-N -1 2 333.337 1.453 20 0 EDADLM Cn1nc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C1CC1 ZINC000290501749 288908460 /nfs/dbraw/zinc/90/84/60/288908460.db2.gz KSDHZVZXCJBUGO-UHFFFAOYSA-N -1 2 335.385 1.725 20 0 EDADLM O=C(CSCC(=O)NOC/C=C/Cl)[N-]OC/C=C/Cl ZINC000291942393 289221474 /nfs/dbraw/zinc/22/14/74/289221474.db2.gz VYMGHGPHNKDBPS-ZPUQHVIOSA-N -1 2 329.205 1.320 20 0 EDADLM CCc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cn1 ZINC000446991932 305272350 /nfs/dbraw/zinc/27/23/50/305272350.db2.gz SLTARPTWOGPPBF-UHFFFAOYSA-N -1 2 339.348 1.986 20 0 EDADLM CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)[nH]n1 ZINC000543764834 306070039 /nfs/dbraw/zinc/07/00/39/306070039.db2.gz LODRQDKSVZQBBF-UHFFFAOYSA-N -1 2 345.358 1.147 20 0 EDADLM CCn1cncc1S(=O)(=O)Nc1c(C)ccc(F)c1C(=O)[O-] ZINC000548525755 306130490 /nfs/dbraw/zinc/13/04/90/306130490.db2.gz FOQIATCMHCEASQ-UHFFFAOYSA-N -1 2 327.337 1.850 20 0 EDADLM Cc1cccc(F)c1S(=O)(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000186262721 442500130 /nfs/dbraw/zinc/50/01/30/442500130.db2.gz FALUPQCTIXDXEG-AWEZNQCLSA-N -1 2 344.452 1.769 20 0 EDADLM CCOc1nc2cc(-c3nc([C@H]4C[N@H+](C)CCN4C)no3)ccc2[nH]1 ZINC000351219432 319097043 /nfs/dbraw/zinc/09/70/43/319097043.db2.gz VHWGVPFEYXLKKL-CQSZACIVSA-N -1 2 342.403 1.930 20 0 EDADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000320120827 444327948 /nfs/dbraw/zinc/32/79/48/444327948.db2.gz IRLZMXOZDQQJRL-UHFFFAOYSA-N -1 2 339.373 1.972 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)cn1 ZINC000349011962 445475878 /nfs/dbraw/zinc/47/58/78/445475878.db2.gz WHOQICHAFGLGMP-UHFFFAOYSA-N -1 2 325.346 1.074 20 0 EDADLM [NH3+]C[C@@H](NS(=O)(=O)NCC(F)(F)F)c1ccc2ccccc2c1 ZINC000420411473 446584458 /nfs/dbraw/zinc/58/44/58/446584458.db2.gz BBPVPMQJMVMGSB-CYBMUJFWSA-N -1 2 347.362 1.826 20 0 EDADLM O=S(=O)(c1ccccc1)N1CCC[N@@H+](Cc2ncccc2O)CC1 ZINC000517057992 448532821 /nfs/dbraw/zinc/53/28/21/448532821.db2.gz XQHAUHINWWBZJE-UHFFFAOYSA-N -1 2 347.440 1.684 20 0 EDADLM CCCc1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)n[nH]1 ZINC000345309033 535410679 /nfs/dbraw/zinc/41/06/79/535410679.db2.gz IERGEJCYZNYCIV-UHFFFAOYSA-N -1 2 328.332 1.672 20 0 EDADLM CCc1c[nH+]ccc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000736701552 579013567 /nfs/dbraw/zinc/01/35/67/579013567.db2.gz DIIRSOPZVDTSKS-NSHDSACASA-N -1 2 338.371 1.652 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cn1 ZINC000737302276 579068982 /nfs/dbraw/zinc/06/89/82/579068982.db2.gz BZFVJBSMUSFHBG-UHFFFAOYSA-N -1 2 335.345 1.278 20 0 EDADLM COc1cc(NS(=O)(=O)c2c[nH]nc2C)ccc1NC(=O)[O-] ZINC000739868279 579261609 /nfs/dbraw/zinc/26/16/09/579261609.db2.gz GQASUZKTOBWSCY-UHFFFAOYSA-N -1 2 326.334 1.617 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)NCC3CCN(C(=O)[O-])CC3)c[n-]c2[nH+]1 ZINC000740152392 579294333 /nfs/dbraw/zinc/29/43/33/579294333.db2.gz DFBUUVRULSRQGH-UHFFFAOYSA-N -1 2 344.371 1.764 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)NCC3CCN(C(=O)[O-])CC3)c[nH]c2n1 ZINC000740152392 579294334 /nfs/dbraw/zinc/29/43/34/579294334.db2.gz DFBUUVRULSRQGH-UHFFFAOYSA-N -1 2 344.371 1.764 20 0 EDADLM O=C([O-])c1cccc(NS(=O)(=O)c2cnn(CC3CC3)c2)c1O ZINC000777908993 580452803 /nfs/dbraw/zinc/45/28/03/580452803.db2.gz ROMGOJYLMLGYJE-UHFFFAOYSA-N -1 2 337.357 1.498 20 0 EDADLM CC(C)n1cnc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000753949931 579892022 /nfs/dbraw/zinc/89/20/22/579892022.db2.gz IHPJVRYGTCHGKV-UHFFFAOYSA-N -1 2 325.346 1.669 20 0 EDADLM O=C([O-])C(F)(F)CNS(=O)(=O)Cc1ccc(F)cc1Cl ZINC000905999967 592711689 /nfs/dbraw/zinc/71/16/89/592711689.db2.gz QCXJKWWVHODNAP-UHFFFAOYSA-N -1 2 331.699 1.618 20 0 EDADLM COc1ccc(-c2ncc(C(=O)Nn3c(=O)[n-][nH]c3=O)s2)cc1 ZINC000820281435 593805674 /nfs/dbraw/zinc/80/56/74/593805674.db2.gz BTVLTNYPUSNROY-UHFFFAOYSA-N -1 2 333.329 1.205 20 0 EDADLM CN(C[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1)C(=O)[O-] ZINC000828259644 594377034 /nfs/dbraw/zinc/37/70/34/594377034.db2.gz MVWFKVRVGLZQSH-LBPRGKRZSA-N -1 2 344.371 1.650 20 0 EDADLM CC(C)(C)c1nnc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000826528082 594520083 /nfs/dbraw/zinc/52/00/83/594520083.db2.gz HGPGLPACMOWRSB-UHFFFAOYSA-N -1 2 330.391 1.663 20 0 EDADLM CCCCn1ncc(NS(=O)(=O)c2csnc2C(=O)[O-])c1C ZINC000829453739 594616523 /nfs/dbraw/zinc/61/65/23/594616523.db2.gz YPCMQGYZKLPRHU-UHFFFAOYSA-N -1 2 344.418 1.947 20 0 EDADLM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1c(O)cc(F)cc1F ZINC000833232723 594810428 /nfs/dbraw/zinc/81/04/28/594810428.db2.gz IMDDXSIONISDTG-SNVBAGLBSA-N -1 2 329.299 1.766 20 0 EDADLM CCCCn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1C ZINC000833651410 594897284 /nfs/dbraw/zinc/89/72/84/594897284.db2.gz JPASGNWSEPWIMR-UHFFFAOYSA-N -1 2 338.389 1.886 20 0 EDADLM C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCCCc3n[nH]c(=O)[nH]3)c2)C1 ZINC000857142833 596168079 /nfs/dbraw/zinc/16/80/79/596168079.db2.gz SOSGPAFJSMWBGO-HNNXBMFYSA-N -1 2 343.431 1.682 20 0 EDADLM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CC=C(Cl)Cl ZINC000852733108 596234829 /nfs/dbraw/zinc/23/48/29/596234829.db2.gz MHGRSWVUYPYARY-POYBYMJQSA-N -1 2 349.136 1.902 20 0 EDADLM O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CC=C(Cl)Cl ZINC000852733108 596234830 /nfs/dbraw/zinc/23/48/30/596234830.db2.gz MHGRSWVUYPYARY-POYBYMJQSA-N -1 2 349.136 1.902 20 0 EDADLM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC=C(Cl)Cl ZINC000852733108 596234832 /nfs/dbraw/zinc/23/48/32/596234832.db2.gz MHGRSWVUYPYARY-POYBYMJQSA-N -1 2 349.136 1.902 20 0 EDADLM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000321307049 600576363 /nfs/dbraw/zinc/57/63/63/600576363.db2.gz AVLHSQUTYCLNKT-UHFFFAOYSA-N -1 2 337.313 1.797 20 0 EDADLM CC(C)=CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]Cc2n[nH]c(=O)[nH]2)C1 ZINC000996826342 703111403 /nfs/dbraw/zinc/11/14/03/703111403.db2.gz TYHGMWPCJJARLO-UWVGGRQHSA-N -1 2 347.341 1.203 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-] ZINC000275326467 540058744 /nfs/dbraw/zinc/05/87/44/540058744.db2.gz SYZYYYFBCXNBSX-WPRPVWTQSA-N -1 2 340.323 1.195 20 0 EDADLM O=C([O-])Cn1cc(NS(=O)(=O)c2cccc(Cl)c2F)cn1 ZINC000038030481 202089400 /nfs/dbraw/zinc/08/94/00/202089400.db2.gz ZOIZTKVXMKHSPL-UHFFFAOYSA-N -1 2 333.728 1.561 20 0 EDADLM Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000227864500 139022696 /nfs/dbraw/zinc/02/26/96/139022696.db2.gz NWJSDNZZWQBWOA-UHFFFAOYSA-N -1 2 331.737 1.278 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262453725 139280101 /nfs/dbraw/zinc/28/01/01/139280101.db2.gz RHBVVVSRPUXOAE-PSASIEDQSA-N -1 2 325.308 1.553 20 0 EDADLM CO[C@@H](C)c1nsc(NCCc2ccc(OCC(=O)[O-])cc2)n1 ZINC000571806118 306575046 /nfs/dbraw/zinc/57/50/46/306575046.db2.gz KANMTAFOMNFYSF-JTQLQIEISA-N -1 2 337.401 1.785 20 0 EDADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccnn1C ZINC000340088774 142261582 /nfs/dbraw/zinc/26/15/82/142261582.db2.gz NDJGATIPFILAFG-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM Cn1cc(NS(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)cn1 ZINC000360516882 152077719 /nfs/dbraw/zinc/07/77/19/152077719.db2.gz WHTYFPXBFDUUTD-UHFFFAOYSA-N -1 2 337.357 1.268 20 0 EDADLM CCc1cc(=O)[nH]c(C[N@H+]2CCCN(c3nccc(OC)n3)CC2)n1 ZINC000363933923 153100389 /nfs/dbraw/zinc/10/03/89/153100389.db2.gz TUHJIAINQZPYHU-UHFFFAOYSA-N -1 2 344.419 1.256 20 0 EDADLM COc1ccc2c(O)c(C(=O)N3CCn4cc(C)[nH+]c4C3)cnc2c1 ZINC000371745427 156089768 /nfs/dbraw/zinc/08/97/68/156089768.db2.gz XHCFBQUOVPRFRP-UHFFFAOYSA-N -1 2 338.367 1.698 20 0 EDADLM O=C([O-])c1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1O ZINC000436998816 305171530 /nfs/dbraw/zinc/17/15/30/305171530.db2.gz ZFDJYTADTOIUBX-UHFFFAOYSA-N -1 2 328.733 1.940 20 0 EDADLM CCOC(=O)CC1(NC(=O)c2c[nH]c3c(cnn3C)c2=O)CCCC1 ZINC000447860845 305287518 /nfs/dbraw/zinc/28/75/18/305287518.db2.gz KCCONNFLXWCQQO-UHFFFAOYSA-N -1 2 346.387 1.670 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1C(=O)[O-] ZINC000538092190 306030142 /nfs/dbraw/zinc/03/01/42/306030142.db2.gz SMQIAFJZWAAVEO-UHFFFAOYSA-N -1 2 335.263 1.336 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccccc2-c2ccno2)c1C(=O)[O-] ZINC000542013304 306050523 /nfs/dbraw/zinc/05/05/23/306050523.db2.gz QZNNFWLCDHCVFW-UHFFFAOYSA-N -1 2 348.340 1.574 20 0 EDADLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)cc1 ZINC000426296295 447413808 /nfs/dbraw/zinc/41/38/08/447413808.db2.gz QWFIAWYYVPUGGT-UHFFFAOYSA-N -1 2 346.368 1.776 20 0 EDADLM O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NOCc1cccnc1 ZINC000153246448 442270053 /nfs/dbraw/zinc/27/00/53/442270053.db2.gz LNFSHCKNIMFDLL-GOSISDBHSA-N -1 2 341.411 1.921 20 0 EDADLM CCc1ncc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1 ZINC000269458635 443313848 /nfs/dbraw/zinc/31/38/48/443313848.db2.gz GCDGMSRTFNDEKQ-UHFFFAOYSA-N -1 2 327.387 1.908 20 0 EDADLM CC(=O)N1CC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000459365068 320347369 /nfs/dbraw/zinc/34/73/69/320347369.db2.gz MBLBQDRBZLQDKZ-ZDUSSCGKSA-N -1 2 326.400 1.902 20 0 EDADLM C[C@@H](Sc1ccc(NS(=O)(=O)c2cnn(C)c2)cc1)C(=O)[O-] ZINC000349104398 445507583 /nfs/dbraw/zinc/50/75/83/445507583.db2.gz FIURQKMRKPGTNW-SECBINFHSA-N -1 2 341.414 1.786 20 0 EDADLM COCn1nc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1C ZINC000361521996 445802347 /nfs/dbraw/zinc/80/23/47/445802347.db2.gz LQUFYFVNEFQVOR-UHFFFAOYSA-N -1 2 339.373 1.603 20 0 EDADLM CCC(=O)N1CC[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)C1 ZINC000366449454 446220789 /nfs/dbraw/zinc/22/07/89/446220789.db2.gz LTVMBGSTUCZWOO-SECBINFHSA-N -1 2 349.341 1.947 20 0 EDADLM Cc1cccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1O ZINC000447679264 447286408 /nfs/dbraw/zinc/28/64/08/447286408.db2.gz CTRWTFMGHIYEIU-UHFFFAOYSA-N -1 2 339.395 1.796 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)cc1 ZINC000523536290 447891345 /nfs/dbraw/zinc/89/13/45/447891345.db2.gz QDXMPNICVZGXCY-UHFFFAOYSA-N -1 2 344.352 1.766 20 0 EDADLM CC1(C)C[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@@H](CO)O1 ZINC000517352608 448574541 /nfs/dbraw/zinc/57/45/41/448574541.db2.gz RNSAZVPYJADYSD-HNNXBMFYSA-N -1 2 329.400 1.821 20 0 EDADLM Cc1onc(N)c1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000520413077 448895290 /nfs/dbraw/zinc/89/52/90/448895290.db2.gz MGZBWWXTGHKDBD-MRVPVSSYSA-N -1 2 339.373 1.944 20 0 EDADLM COc1n[nH]c(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)n1 ZINC000613196345 450075193 /nfs/dbraw/zinc/07/51/93/450075193.db2.gz QMPHJNZJAYEOJE-UHFFFAOYSA-N -1 2 326.360 1.535 20 0 EDADLM Cn1[nH]c([C@H]2CCCN2c2nc3ccccc3n3c[nH+]cc23)nc1=N ZINC000624250087 450763216 /nfs/dbraw/zinc/76/32/16/450763216.db2.gz HEANJAVKYCJBLF-CYBMUJFWSA-N -1 2 334.387 1.765 20 0 EDADLM Cn1[nH]c([C@@H]2CCCN2c2nc3ccccc3n3c[nH+]cc23)nc1=N ZINC000624250088 450763264 /nfs/dbraw/zinc/76/32/64/450763264.db2.gz HEANJAVKYCJBLF-ZDUSSCGKSA-N -1 2 334.387 1.765 20 0 EDADLM O=C([O-])C1(CNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCC1 ZINC000663141578 453701984 /nfs/dbraw/zinc/70/19/84/453701984.db2.gz NAVLTZZFNGWJOS-UHFFFAOYSA-N -1 2 333.319 1.702 20 0 EDADLM Cn1nccc1S(=O)(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000740303705 579328728 /nfs/dbraw/zinc/32/87/28/579328728.db2.gz AVJJRVCUTYZUAN-UHFFFAOYSA-N -1 2 336.373 1.257 20 0 EDADLM O=C([O-])N1CCC[C@@H](CNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000740416975 579343622 /nfs/dbraw/zinc/34/36/22/579343622.db2.gz QWNGGPAMEUPXNA-JTQLQIEISA-N -1 2 346.343 1.150 20 0 EDADLM Fc1ccc(C[NH+]2CCN(CC(F)(F)F)CC2)c(-c2nn[nH]n2)c1 ZINC000737650235 578280463 /nfs/dbraw/zinc/28/04/63/578280463.db2.gz NRBAVUAWKFLMBD-UHFFFAOYSA-N -1 2 344.316 1.686 20 0 EDADLM Cc1nc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c[nH]1 ZINC000740240586 579304205 /nfs/dbraw/zinc/30/42/05/579304205.db2.gz XABUWCVBPSSPMZ-UHFFFAOYSA-N -1 2 336.373 1.950 20 0 EDADLM C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820384295 593814939 /nfs/dbraw/zinc/81/49/39/593814939.db2.gz ASMHLSXDNKSCHM-NSHDSACASA-N -1 2 348.370 1.872 20 0 EDADLM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000825844616 594260431 /nfs/dbraw/zinc/26/04/31/594260431.db2.gz KQPRRYVNPIKCEA-VXGBXAGGSA-N -1 2 344.371 1.839 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)N[C@H](C(=O)[O-])C3CC3)cc2[nH]c1=S ZINC000830411199 594391306 /nfs/dbraw/zinc/39/13/06/594391306.db2.gz CLNDHJYMLVXIQP-LBPRGKRZSA-N -1 2 347.396 1.298 20 0 EDADLM O=S1(=O)CC[C@@H]([N@H+](Cc2cc(-c3nn[nH]n3)cs2)C2CC2)C1 ZINC000826496603 594501406 /nfs/dbraw/zinc/50/14/06/594501406.db2.gz BFTHXSWHKIRDLC-LLVKDONJSA-N -1 2 339.446 1.080 20 0 EDADLM CCC(CC)(CC(=O)[O-])NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000828794000 594504940 /nfs/dbraw/zinc/50/49/40/594504940.db2.gz GDJDENDHSUWCTC-UHFFFAOYSA-N -1 2 334.332 1.199 20 0 EDADLM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000827022207 594625196 /nfs/dbraw/zinc/62/51/96/594625196.db2.gz RXDACHRJXGGOST-SNVBAGLBSA-N -1 2 325.390 1.707 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])c(C)c1 ZINC000832468552 594752616 /nfs/dbraw/zinc/75/26/16/594752616.db2.gz KLXKGITYRGSMBJ-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833013462 594791399 /nfs/dbraw/zinc/79/13/99/594791399.db2.gz AESFFUMBRARMPJ-UHFFFAOYSA-N -1 2 344.780 1.584 20 0 EDADLM O=C([O-])[C@@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C1CCCCC1 ZINC000833123995 594799624 /nfs/dbraw/zinc/79/96/24/594799624.db2.gz COOTYQJTCQPITF-NSHDSACASA-N -1 2 346.343 1.199 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)c[nH]1 ZINC000833306356 594824083 /nfs/dbraw/zinc/82/40/83/594824083.db2.gz WSIQDDAFMGCRIX-UHFFFAOYSA-N -1 2 347.356 1.154 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(s2)COCC3)cs1 ZINC000833306156 594824263 /nfs/dbraw/zinc/82/42/63/594824263.db2.gz HYTNWYIDMKTJDU-UHFFFAOYSA-N -1 2 346.411 1.776 20 0 EDADLM O=C([O-])c1nscc1NS(=O)(=O)c1cccc2nsnc21 ZINC000833346036 594831261 /nfs/dbraw/zinc/83/12/61/594831261.db2.gz CVCSYPNNDLTAJV-UHFFFAOYSA-N -1 2 342.383 1.647 20 0 EDADLM CC(C)Oc1ccccc1C(F)(F)C(=O)Nn1c(=O)[n-][nH]c1=O ZINC000854612446 596135464 /nfs/dbraw/zinc/13/54/64/596135464.db2.gz NDKDUHZHRCQEKE-UHFFFAOYSA-N -1 2 328.275 1.339 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c(Cl)c1 ZINC000037461818 600050773 /nfs/dbraw/zinc/05/07/73/600050773.db2.gz GDSKAZNNVBYYLJ-UHFFFAOYSA-N -1 2 346.817 2.533 20 0 EDADLM CC1(C)C[N@H+](Cc2cnns2)CC[C@H]1NC(=O)c1cnc[nH]c1=O ZINC000940830827 700930440 /nfs/dbraw/zinc/93/04/40/700930440.db2.gz WFOVTFWNPUOBLR-GFCCVEGCSA-N -1 2 348.432 1.064 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H](Oc1ccccc1)C(=O)[O-] ZINC000559152445 306251107 /nfs/dbraw/zinc/25/11/07/306251107.db2.gz MOUHQCKKHFOVGP-SCZZXKLOSA-N -1 2 341.307 1.389 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1C(=O)[O-] ZINC000279885086 540069773 /nfs/dbraw/zinc/06/97/73/540069773.db2.gz NWRFXGITSMCARZ-UHFFFAOYSA-N -1 2 338.389 1.920 20 0 EDADLM C[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C[C@H]1C(=O)[O-] ZINC000563536797 306337961 /nfs/dbraw/zinc/33/79/61/306337961.db2.gz OIRHICWKKVWOQR-DGCLKSJQSA-N -1 2 329.356 1.761 20 0 EDADLM CC(C)c1ccc(N2CC(=O)C(C(=O)NC[C@@](C)(O)C(=O)[O-])=N2)cc1 ZINC000262444990 139279497 /nfs/dbraw/zinc/27/94/97/139279497.db2.gz DCCXNNJLDNTDTD-QGZVFWFLSA-N -1 2 347.371 1.267 20 0 EDADLM Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)C(=O)[O-])CC1 ZINC000262617222 139290446 /nfs/dbraw/zinc/29/04/46/139290446.db2.gz CZQXAMBFPFANRZ-MRXNPFEDSA-N -1 2 347.459 1.434 20 0 EDADLM CO[C@@H](C)c1nc(=NC(=O)N[C@H](CCO)c2ccccc2)s[n-]1 ZINC000350667049 143548323 /nfs/dbraw/zinc/54/83/23/143548323.db2.gz NOYCFIGOYDVPII-CMPLNLGQSA-N -1 2 336.417 1.913 20 0 EDADLM CCCOc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1OCC ZINC000355330480 150219907 /nfs/dbraw/zinc/21/99/07/150219907.db2.gz XPMRKCZHXVKDLN-CQSZACIVSA-N -1 2 347.415 1.610 20 0 EDADLM O=C([O-])c1cc(NS(=O)(=O)c2cnn(CC(F)F)c2)ccc1F ZINC000357464795 151040015 /nfs/dbraw/zinc/04/00/15/151040015.db2.gz AZCOQPXSJPNTPN-UHFFFAOYSA-N -1 2 349.290 1.786 20 0 EDADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1c(Cl)cnn1C ZINC000227864254 301957977 /nfs/dbraw/zinc/95/79/77/301957977.db2.gz PDYKAVCNPUHHLP-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM COC(=O)c1ccc(O)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000436477873 305158057 /nfs/dbraw/zinc/15/80/57/305158057.db2.gz NAPWYSGLHAGZRJ-UHFFFAOYSA-N -1 2 340.313 1.006 20 0 EDADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1ccoc1)OCCO2 ZINC000551915319 306168205 /nfs/dbraw/zinc/16/82/05/306168205.db2.gz POHZYCVIFWUCEA-UHFFFAOYSA-N -1 2 325.298 1.550 20 0 EDADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c1 ZINC000178765631 442478503 /nfs/dbraw/zinc/47/85/03/442478503.db2.gz CIZBYVGLBWHQQT-UHFFFAOYSA-N -1 2 349.290 1.944 20 0 EDADLM C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cn[nH]n2)c2ccc(Cl)cc2)C1 ZINC000245747209 443248232 /nfs/dbraw/zinc/24/82/32/443248232.db2.gz NDDIRIJMYHTCFZ-KGLIPLIRSA-N -1 2 335.795 1.260 20 0 EDADLM C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2cnn[nH]2)c2ccc(Cl)cc2)C1 ZINC000245747209 443248235 /nfs/dbraw/zinc/24/82/35/443248235.db2.gz NDDIRIJMYHTCFZ-KGLIPLIRSA-N -1 2 335.795 1.260 20 0 EDADLM C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cnn[nH]2)c2ccc(Cl)cc2)C1 ZINC000245747209 443248237 /nfs/dbraw/zinc/24/82/37/443248237.db2.gz NDDIRIJMYHTCFZ-KGLIPLIRSA-N -1 2 335.795 1.260 20 0 EDADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)C[C@@H]2CCCO2)c1OC ZINC000267486046 443473922 /nfs/dbraw/zinc/47/39/22/443473922.db2.gz BPZJFLKDJYEIJI-JTQLQIEISA-N -1 2 345.373 1.323 20 0 EDADLM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(F)c(F)c(O)c2F)C1=O ZINC000281072654 443811127 /nfs/dbraw/zinc/81/11/27/443811127.db2.gz BQSSVTQIBNXBPZ-ZDUSSCGKSA-N -1 2 331.250 1.175 20 0 EDADLM COc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000314813407 444302684 /nfs/dbraw/zinc/30/26/84/444302684.db2.gz PGDFBUXBJYPIQW-UHFFFAOYSA-N -1 2 328.321 1.672 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cn(C)c(C)n2)c(C(=O)[O-])c1 ZINC000336855389 444804140 /nfs/dbraw/zinc/80/41/40/444804140.db2.gz WHPAZFJATXTHJE-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc(OC)cc2C(=O)[O-])cn1 ZINC000343048608 445027765 /nfs/dbraw/zinc/02/77/65/445027765.db2.gz DXVCMDCCXIAGLD-UHFFFAOYSA-N -1 2 325.346 1.411 20 0 EDADLM COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000359126248 445966200 /nfs/dbraw/zinc/96/62/00/445966200.db2.gz MPCDIPJFJNHHNN-SKDRFNHKSA-N -1 2 332.360 1.088 20 0 EDADLM CC(C)[N@@H+](C)CC(=O)N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000368500203 446900766 /nfs/dbraw/zinc/90/07/66/446900766.db2.gz BBRJSINTUVZJJM-ZDUSSCGKSA-N -1 2 340.790 1.538 20 0 EDADLM CC[C@H](CS(=O)(=O)Nc1cc(F)c(C(=O)[O-])cc1OC)OC ZINC000421144376 447038444 /nfs/dbraw/zinc/03/84/44/447038444.db2.gz BGFUTSKAOWEMKP-MRVPVSSYSA-N -1 2 335.353 1.699 20 0 EDADLM COc1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)c(Br)c1O ZINC000421399124 447150766 /nfs/dbraw/zinc/15/07/66/447150766.db2.gz ZTILQOVHKYAZFE-LLVKDONJSA-N -1 2 343.221 1.874 20 0 EDADLM Oc1cccc(C[NH2+][C@H]2COC[C@H]2n2ccnn2)c1Br ZINC000459535517 447697640 /nfs/dbraw/zinc/69/76/40/447697640.db2.gz ODPRNQUWXZMYDG-WDEREUQCSA-N -1 2 339.193 1.476 20 0 EDADLM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nc(=O)o[nH]3)cc1)C2 ZINC000577220132 448239989 /nfs/dbraw/zinc/23/99/89/448239989.db2.gz FXODAVSUDLHDFM-YVEFUNNKSA-N -1 2 343.339 1.357 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@H](C(=O)[O-])C2)=N1 ZINC000579009283 448695674 /nfs/dbraw/zinc/69/56/74/448695674.db2.gz RYZCYNAHTUOOAE-LBPRGKRZSA-N -1 2 329.356 1.687 20 0 EDADLM Cc1c(S(=O)(=O)Nc2cc(F)c(C)cc2C(=O)[O-])cnn1C ZINC000574623065 448917928 /nfs/dbraw/zinc/91/79/28/448917928.db2.gz ROYBGOADVDHABL-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 ZINC000547937939 448950999 /nfs/dbraw/zinc/95/09/99/448950999.db2.gz RWWVYXDHLQRICI-APPZFPTMSA-N -1 2 333.328 1.127 20 0 EDADLM Fc1ccc(CN2CC[NH+](Cc3ccco3)CC2)c(-c2nn[nH]n2)c1 ZINC000737648432 578279008 /nfs/dbraw/zinc/27/90/08/578279008.db2.gz JITKXWXAONAPPV-UHFFFAOYSA-N -1 2 342.378 1.917 20 0 EDADLM Fc1ccc(C[NH+]2CCN(Cc3ccco3)CC2)c(-c2nn[nH]n2)c1 ZINC000737648432 578279009 /nfs/dbraw/zinc/27/90/09/578279009.db2.gz JITKXWXAONAPPV-UHFFFAOYSA-N -1 2 342.378 1.917 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cn(C)c(C)n2)cc1NC(=O)[O-] ZINC000739926015 579268668 /nfs/dbraw/zinc/26/86/68/579268668.db2.gz WVQFRBWGEZLGMA-UHFFFAOYSA-N -1 2 340.361 1.628 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)NC[C@@H]3CCCN3C(=O)[O-])c[nH]c2n1 ZINC000740152875 579294296 /nfs/dbraw/zinc/29/42/96/579294296.db2.gz GJYFRWHQWLUCIG-JTQLQIEISA-N -1 2 330.344 1.516 20 0 EDADLM CC[N@@H+]1CCCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)[C@H](C)C1 ZINC000910271474 592815936 /nfs/dbraw/zinc/81/59/36/592815936.db2.gz QYKAXFBLLUJFKS-GFCCVEGCSA-N -1 2 330.388 1.586 20 0 EDADLM O=C(Nn1c(=O)[n-][nH]c1=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000820288050 593806532 /nfs/dbraw/zinc/80/65/32/593806532.db2.gz HIJHHNFPCFIZCM-UHFFFAOYSA-N -1 2 339.283 1.475 20 0 EDADLM Cc1cc(C)c(-c2nn[nH]n2)c(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)[nH+]1 ZINC000822191074 594006411 /nfs/dbraw/zinc/00/64/11/594006411.db2.gz FPNQBOCSTTVMDQ-JSGCOSHPSA-N -1 2 343.435 1.035 20 0 EDADLM CCOC[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000829978774 594305649 /nfs/dbraw/zinc/30/56/49/594305649.db2.gz PBPCEAFUUFNULY-LBPRGKRZSA-N -1 2 333.344 1.140 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)S1 ZINC000831238925 594589033 /nfs/dbraw/zinc/58/90/33/594589033.db2.gz BKZHXYTURKUWIE-NSHDSACASA-N -1 2 348.384 1.218 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)S1 ZINC000831238925 594589035 /nfs/dbraw/zinc/58/90/35/594589035.db2.gz BKZHXYTURKUWIE-NSHDSACASA-N -1 2 348.384 1.218 20 0 EDADLM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000827022206 594625393 /nfs/dbraw/zinc/62/53/93/594625393.db2.gz RXDACHRJXGGOST-JTQLQIEISA-N -1 2 325.390 1.707 20 0 EDADLM C[C@@H](CN(Cc1ccccc1)C(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-] ZINC000827449198 594673196 /nfs/dbraw/zinc/67/31/96/594673196.db2.gz ISQKSJGHNZLFRY-JQWIXIFHSA-N -1 2 349.412 1.292 20 0 EDADLM O=C([O-])N1CCC(CNC(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000831653353 594690249 /nfs/dbraw/zinc/69/02/49/594690249.db2.gz NWXCUUXYQCSUAR-UHFFFAOYSA-N -1 2 344.371 1.698 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)cn1 ZINC000833683493 594905510 /nfs/dbraw/zinc/90/55/10/594905510.db2.gz RKAKMKZANNSCCG-UHFFFAOYSA-N -1 2 342.402 1.736 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c(C)s1 ZINC000863953928 596727698 /nfs/dbraw/zinc/72/76/98/596727698.db2.gz DZIZNYSERZSUNG-JTQLQIEISA-N -1 2 333.431 1.917 20 0 EDADLM O=C([O-])Cc1csc(NS(=O)(=O)Cc2ccc(F)cc2)n1 ZINC000037461794 600050843 /nfs/dbraw/zinc/05/08/43/600050843.db2.gz RUOZYMVPJBCVLF-UHFFFAOYSA-N -1 2 330.362 1.851 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)cc1C(=O)[O-] ZINC000317655747 602211644 /nfs/dbraw/zinc/21/16/44/602211644.db2.gz SPCUZPIZVMSJDO-UHFFFAOYSA-N -1 2 325.346 1.534 20 0 EDADLM CC1(C)C[N@H+](Cc2cnns2)CC[C@@H]1NC(=O)c1cnc[nH]c1=O ZINC000940830828 700930461 /nfs/dbraw/zinc/93/04/61/700930461.db2.gz WFOVTFWNPUOBLR-LBPRGKRZSA-N -1 2 348.432 1.064 20 0 EDADLM CC(C)=CC[NH+]1CC(N2CCN(C(=O)c3ncccc3O)CC2)C1 ZINC000941388009 701511848 /nfs/dbraw/zinc/51/18/48/701511848.db2.gz TWCQCOYBBRXIPB-UHFFFAOYSA-N -1 2 330.432 1.195 20 0 EDADLM Cc1cnc(C[NH+]2CCC(NC(=O)c3c(C)nc[nH]c3=O)CC2)o1 ZINC001003475161 710369173 /nfs/dbraw/zinc/36/91/73/710369173.db2.gz MSHZYWOAEMFQHS-UHFFFAOYSA-N -1 2 331.376 1.181 20 0 EDADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cnc(C)s2)c1 ZINC000229618809 139023778 /nfs/dbraw/zinc/02/37/78/139023778.db2.gz OLPZGGJOGHSARZ-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C(=O)[O-])o1 ZINC000237257233 139045828 /nfs/dbraw/zinc/04/58/28/139045828.db2.gz VOLSCGVNYWYJJQ-UHFFFAOYSA-N -1 2 333.325 1.548 20 0 EDADLM Cn1nccc1S(=O)(=O)Nc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000345677336 143120362 /nfs/dbraw/zinc/12/03/62/143120362.db2.gz PPMWXBHGJVBBBU-UHFFFAOYSA-N -1 2 337.357 1.268 20 0 EDADLM O=S(=O)(NCCn1cc[nH+]c1)c1ccc(C(F)(F)F)s1 ZINC000291789460 289180751 /nfs/dbraw/zinc/18/07/51/289180751.db2.gz XQIIAGFECPHVQP-UHFFFAOYSA-N -1 2 325.337 1.942 20 0 EDADLM O=c1[nH]c([O-])nc2ncc(-c3nc(-c4cnc5cnccn54)no3)cc12 ZINC000350937801 319080600 /nfs/dbraw/zinc/08/06/00/319080600.db2.gz ICJNQAIBEYJKHJ-UHFFFAOYSA-N -1 2 348.282 1.196 20 0 EDADLM O=c1nc2ncc(-c3nc(-c4cnc5cnccn54)no3)cc2c([O-])[nH]1 ZINC000350937801 319080601 /nfs/dbraw/zinc/08/06/01/319080601.db2.gz ICJNQAIBEYJKHJ-UHFFFAOYSA-N -1 2 348.282 1.196 20 0 EDADLM C[N@@H+](Cc1ncccn1)[C@@H]1CCN(C(=O)c2c(O)cccc2O)C1 ZINC000275721872 443639434 /nfs/dbraw/zinc/63/94/34/443639434.db2.gz OVEZUPLBTLAIQQ-GFCCVEGCSA-N -1 2 328.372 1.234 20 0 EDADLM COc1ncc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433523184 319981740 /nfs/dbraw/zinc/98/17/40/319981740.db2.gz ADCVEQUGXVAFCH-UHFFFAOYSA-N -1 2 338.341 1.603 20 0 EDADLM O=C([O-])CCCS(=O)(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000567799009 321258177 /nfs/dbraw/zinc/25/81/77/321258177.db2.gz ZGFHGSQNEFKORH-LLVKDONJSA-N -1 2 339.335 1.944 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)nc1C ZINC000315016306 444303716 /nfs/dbraw/zinc/30/37/16/444303716.db2.gz KLRUAFKDSXUVFY-UHFFFAOYSA-N -1 2 327.337 1.850 20 0 EDADLM COC(=O)C1(CS(=O)(=O)Nc2ccc3nn[nH]c3c2)CCCC1 ZINC000290517433 444290578 /nfs/dbraw/zinc/29/05/78/444290578.db2.gz MLAJPIIXKQUYKN-UHFFFAOYSA-N -1 2 338.389 1.433 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2c[nH]c3ncccc32)c(O)c1 ZINC000320313309 444329272 /nfs/dbraw/zinc/32/92/72/444329272.db2.gz DAKNQTPBGBUZBG-UHFFFAOYSA-N -1 2 333.325 1.768 20 0 EDADLM CCOc1nc2cc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)ccc2[nH]1 ZINC000329212025 444502822 /nfs/dbraw/zinc/50/28/22/444502822.db2.gz ZQDGDNIPLNUJIH-HOTGVXAUSA-N -1 2 344.415 1.507 20 0 EDADLM CCOc1nc2cc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)ccc2[nH]1 ZINC000329212025 444502825 /nfs/dbraw/zinc/50/28/25/444502825.db2.gz ZQDGDNIPLNUJIH-HOTGVXAUSA-N -1 2 344.415 1.507 20 0 EDADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cnn(C)c2C)c1 ZINC000336867260 444811680 /nfs/dbraw/zinc/81/16/80/444811680.db2.gz QGUKOCBLZXERJC-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000583934902 326169157 /nfs/dbraw/zinc/16/91/57/326169157.db2.gz ZWPMOMNMPWRJHP-JOYOIKCWSA-N -1 2 331.328 1.213 20 0 EDADLM Cc1c(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cnn1C ZINC000427344345 447584351 /nfs/dbraw/zinc/58/43/51/447584351.db2.gz IACARFJFTXJOGS-JTQLQIEISA-N -1 2 337.401 1.793 20 0 EDADLM CCO[C@H]1C[C@](NS(=O)(=O)CC(F)(F)F)(C(=O)[O-])C1(C)C ZINC000573157130 448555492 /nfs/dbraw/zinc/55/54/92/448555492.db2.gz BRTREBATIYXFPF-XVKPBYJWSA-N -1 2 333.328 1.127 20 0 EDADLM CO[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000530170983 449070215 /nfs/dbraw/zinc/07/02/15/449070215.db2.gz VJLKELJOJGEGSO-PKOBYXMFSA-N -1 2 348.443 1.453 20 0 EDADLM C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)C1 ZINC000604604866 449263238 /nfs/dbraw/zinc/26/32/38/449263238.db2.gz DMVBAWCQDJFMAE-ZDUSSCGKSA-N -1 2 339.386 1.522 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)C[C@@H](OC)C(C)C ZINC000647129312 452081913 /nfs/dbraw/zinc/08/19/13/452081913.db2.gz QKZIESDACBUORX-CYBMUJFWSA-N -1 2 349.380 1.945 20 0 EDADLM CCC[C@](C)(NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)C(=O)[O-] ZINC000736959629 579034999 /nfs/dbraw/zinc/03/49/99/579034999.db2.gz IPAXMNUABDMERZ-HNNXBMFYSA-N -1 2 334.332 1.118 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)OCCNC(=O)[O-])cc2[nH]c1=S ZINC000737295646 579067619 /nfs/dbraw/zinc/06/76/19/579067619.db2.gz LNGDQZILAZUDEZ-UHFFFAOYSA-N -1 2 337.357 1.130 20 0 EDADLM O=C([O-])Cc1ccc(NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)cc1 ZINC000739880198 579262823 /nfs/dbraw/zinc/26/28/23/579262823.db2.gz XJXGOYIHVBQMSK-UHFFFAOYSA-N -1 2 339.307 1.909 20 0 EDADLM COc1cc(Cl)c(S(=O)(=O)Nc2cnn(C)c2)cc1C(=O)[O-] ZINC000790393025 580768293 /nfs/dbraw/zinc/76/82/93/580768293.db2.gz BCDXTHYQQHHHKP-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM O=C(OCc1n[nH]c(=O)[n-]1)c1nn(-c2ccc(F)cc2F)cc1O ZINC000801414202 581075485 /nfs/dbraw/zinc/07/54/85/581075485.db2.gz WIZJEFIKWOSSTJ-UHFFFAOYSA-N -1 2 337.242 1.037 20 0 EDADLM O=C(OCc1n[nH]c(=O)[nH]1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000801414202 581075486 /nfs/dbraw/zinc/07/54/86/581075486.db2.gz WIZJEFIKWOSSTJ-UHFFFAOYSA-N -1 2 337.242 1.037 20 0 EDADLM CO[C@H](CS(=O)(=O)[N-]c1cc(C(C)=O)cc(F)c1O)C1CC1 ZINC000901953069 591876676 /nfs/dbraw/zinc/87/66/76/591876676.db2.gz SHSZCAZQDVDXKS-CYBMUJFWSA-N -1 2 331.365 1.901 20 0 EDADLM O=C(Nn1c(=O)[n-][nH]c1=O)c1cnc(Cc2ccccc2F)s1 ZINC000820283652 593806119 /nfs/dbraw/zinc/80/61/19/593806119.db2.gz YJNPIFTUTCHGSR-UHFFFAOYSA-N -1 2 335.320 1.260 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C(=O)[O-])C(C)C)=N2)cc1 ZINC000820805338 593894352 /nfs/dbraw/zinc/89/43/52/593894352.db2.gz TVCFFCJZHCINSW-CYBMUJFWSA-N -1 2 333.344 1.426 20 0 EDADLM CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OCCn1cc[nH+]c1 ZINC000824178091 593946897 /nfs/dbraw/zinc/94/68/97/593946897.db2.gz MJXWJSSHKKMIJN-UHFFFAOYSA-N -1 2 342.359 1.464 20 0 EDADLM Cn1nc(NS(=O)(=O)c2ccc3c(c2)CCCO3)cc1C(=O)[O-] ZINC000821089658 593963490 /nfs/dbraw/zinc/96/34/90/593963490.db2.gz LXUZOYWNUYDUTR-UHFFFAOYSA-N -1 2 337.357 1.244 20 0 EDADLM CCN(CCNC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C(=O)[O-] ZINC000827151179 594648573 /nfs/dbraw/zinc/64/85/73/594648573.db2.gz UDPZQAAFSBJLMC-UHFFFAOYSA-N -1 2 336.323 1.447 20 0 EDADLM CCN(Cc1cccc(NC(=O)NCc2n[nH]c(=O)[nH]2)c1)C(=O)[O-] ZINC000827169565 594650186 /nfs/dbraw/zinc/65/01/86/594650186.db2.gz CZKVMOKPHLBMDD-UHFFFAOYSA-N -1 2 334.336 1.332 20 0 EDADLM COCCn1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC000831807581 594704375 /nfs/dbraw/zinc/70/43/75/594704375.db2.gz PQAGYGINBVZLNN-UHFFFAOYSA-N -1 2 343.336 1.168 20 0 EDADLM O=C([O-])NCC1(C(=O)NS(=O)(=O)c2ccsc2)CCCC1 ZINC000832443159 594750957 /nfs/dbraw/zinc/75/09/57/594750957.db2.gz QVDASZUVSQELDZ-UHFFFAOYSA-N -1 2 332.403 1.381 20 0 EDADLM Cc1nnc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])s1 ZINC000833021209 594792059 /nfs/dbraw/zinc/79/20/59/594792059.db2.gz KQDQQZDPHYLWPA-UHFFFAOYSA-N -1 2 333.778 1.999 20 0 EDADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2cccs2)s1 ZINC000833231963 594810354 /nfs/dbraw/zinc/81/03/54/594810354.db2.gz HBEJUZVFAVRVMX-UHFFFAOYSA-N -1 2 333.416 1.808 20 0 EDADLM O=C([O-])C1(CNC(=O)c2cc(F)cc(Cl)c2O)CCOCC1 ZINC000833766301 594925101 /nfs/dbraw/zinc/92/51/01/594925101.db2.gz FFHGRPATSLHDCT-UHFFFAOYSA-N -1 2 331.727 1.796 20 0 EDADLM C[C@@H]1CN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)[C@H](C)CN1C(=O)[O-] ZINC000833838035 594945605 /nfs/dbraw/zinc/94/56/05/594945605.db2.gz VHLBJAVLOABWET-NXEZZACHSA-N -1 2 346.343 1.243 20 0 EDADLM O=C([O-])N[C@H]1CCc2ncc(NS(=O)(=O)c3cccnc3)cc2C1 ZINC000834194327 595049680 /nfs/dbraw/zinc/04/96/80/595049680.db2.gz QPZKZFQYKZLUTD-NSHDSACASA-N -1 2 348.384 1.402 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@]2(C(=O)[O-])CC2(C)C)c(C)s1 ZINC000863954108 596727816 /nfs/dbraw/zinc/72/78/16/596727816.db2.gz MWXATAGFULNZFU-ZDUSSCGKSA-N -1 2 331.415 1.671 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)s1 ZINC000318080431 601500521 /nfs/dbraw/zinc/50/05/21/601500521.db2.gz JESCZOPFYHROIS-UHFFFAOYSA-N -1 2 343.386 1.608 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc1C(=O)[O-] ZINC000348885302 539384382 /nfs/dbraw/zinc/38/43/82/539384382.db2.gz SLTWZGUIMULGBH-UHFFFAOYSA-N -1 2 348.331 1.469 20 0 EDADLM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@H](c2nn[nH]n2)C1 ZINC000560347538 306265221 /nfs/dbraw/zinc/26/52/21/306265221.db2.gz QTLUYLDMKOJJOM-NSHDSACASA-N -1 2 339.359 1.111 20 0 EDADLM CCCC[C@@H](NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)C(=O)[O-] ZINC000262246587 139263211 /nfs/dbraw/zinc/26/32/11/139263211.db2.gz CNJGBAVAKUZNHY-MRVPVSSYSA-N -1 2 334.332 1.118 20 0 EDADLM C[NH+](CC(=O)[O-])C[C@@H]1C[N@H+](CCCc2ccc(Cl)cc2)CCO1 ZINC000262806653 139305111 /nfs/dbraw/zinc/30/51/11/139305111.db2.gz FPIBKZDXLMJDHO-MRXNPFEDSA-N -1 2 340.851 1.990 20 0 EDADLM C[C@@H]1CCCN(C(=O)C2=NN(c3ccccc3)CC2=O)[C@H]1C(=O)[O-] ZINC000424242774 296383958 /nfs/dbraw/zinc/38/39/58/296383958.db2.gz FDZLMGYMSMNJKA-IAQYHMDHSA-N -1 2 329.356 1.903 20 0 EDADLM COc1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1OC(F)F ZINC000355330339 150219949 /nfs/dbraw/zinc/21/99/49/150219949.db2.gz WTDUASYQSPPKEA-JTQLQIEISA-N -1 2 341.314 1.033 20 0 EDADLM O=C1NC(=O)N2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@H]12 ZINC000355328905 150219972 /nfs/dbraw/zinc/21/99/72/150219972.db2.gz UKULCIQNMUEWTQ-LLVKDONJSA-N -1 2 329.278 1.321 20 0 EDADLM COc1cc(C)c(NS(=O)(=O)c2cn(C)c(C)n2)c(C(=O)[O-])c1 ZINC000273517789 268056795 /nfs/dbraw/zinc/05/67/95/268056795.db2.gz RLJOEAYFFXJWAO-UHFFFAOYSA-N -1 2 339.373 1.545 20 0 EDADLM O=C(C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)N(Cc1ccccc1)C1CC1 ZINC000328905031 444396040 /nfs/dbraw/zinc/39/60/40/444396040.db2.gz JTOFRQMNQULGOI-HNNXBMFYSA-N -1 2 342.399 1.254 20 0 EDADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1 ZINC000356498782 445824676 /nfs/dbraw/zinc/82/46/76/445824676.db2.gz RUATZZQPWPEPTR-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM COCCCCS(=O)(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000577708394 448363389 /nfs/dbraw/zinc/36/33/89/448363389.db2.gz UYBWIICDSLKKIK-KBPBESRZSA-N -1 2 327.402 1.646 20 0 EDADLM CCn1cncc1S(=O)(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000547874835 448942092 /nfs/dbraw/zinc/94/20/92/448942092.db2.gz MJOZEGNALOTGGN-UHFFFAOYSA-N -1 2 334.357 1.883 20 0 EDADLM CCN(C(=O)C1=NN(c2ccc(F)cc2C)CC1=O)[C@H](C)C(=O)[O-] ZINC000659769417 452667385 /nfs/dbraw/zinc/66/73/85/452667385.db2.gz FWDNFGQLELXWTJ-SNVBAGLBSA-N -1 2 335.335 1.961 20 0 EDADLM O=C([O-])[C@H](CNC(=O)C1=NN(c2ccccc2)CC1=O)C1CCC1 ZINC000663147453 453705257 /nfs/dbraw/zinc/70/52/57/453705257.db2.gz MRZOPDBHOJIECF-CYBMUJFWSA-N -1 2 329.356 1.809 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000323487583 487122676 /nfs/dbraw/zinc/12/26/76/487122676.db2.gz ASGCCNISZFUTIR-BDAKNGLRSA-N -1 2 335.385 1.856 20 0 EDADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000674050709 487192037 /nfs/dbraw/zinc/19/20/37/487192037.db2.gz VLAYZOIWUJLRMQ-UHFFFAOYSA-N -1 2 337.332 1.992 20 0 EDADLM Cc1ccc2ncccc2c1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000678716749 487356572 /nfs/dbraw/zinc/35/65/72/487356572.db2.gz MDRQQVMTYZUQGW-UHFFFAOYSA-N -1 2 346.368 1.776 20 0 EDADLM C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000671177480 485880391 /nfs/dbraw/zinc/88/03/91/485880391.db2.gz WZVCFBGMRJRMJL-SKDRFNHKSA-N -1 2 336.816 1.477 20 0 EDADLM Cc1[nH]nc(S(=O)(=O)Nc2nc(C3CC3)cs2)c1C(=O)[O-] ZINC000738335299 579187268 /nfs/dbraw/zinc/18/72/68/579187268.db2.gz NEBAJCCEVDHVDO-UHFFFAOYSA-N -1 2 328.375 1.551 20 0 EDADLM COC(=O)c1cnc([N-]C(c2[nH+]ccn2C)c2[nH+]ccn2C)s1 ZINC000894726573 591396505 /nfs/dbraw/zinc/39/65/05/591396505.db2.gz VFHXLEHCBIUWGP-UHFFFAOYSA-N -1 2 332.389 1.598 20 0 EDADLM O=C([O-])[C@H](NC(=O)c1cc(F)c(O)c(Cl)c1)[C@H]1CCCOC1 ZINC000909545590 591652777 /nfs/dbraw/zinc/65/27/77/591652777.db2.gz MGKOJORLTQCGTC-WRWORJQWSA-N -1 2 331.727 1.794 20 0 EDADLM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000909939931 592725347 /nfs/dbraw/zinc/72/53/47/592725347.db2.gz ZJDDEDNZWUXEHF-CQSZACIVSA-N -1 2 331.727 1.891 20 0 EDADLM CC(=O)NCCN(C(=O)c1cc(F)cc(Cl)c1O)[C@@H](C)C(=O)[O-] ZINC000819753202 593767087 /nfs/dbraw/zinc/76/70/87/593767087.db2.gz VDUNXJJTDTYEBT-ZETCQYMHSA-N -1 2 346.742 1.236 20 0 EDADLM O=C([O-])c1cccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c1 ZINC000821550745 593862283 /nfs/dbraw/zinc/86/22/83/593862283.db2.gz PEEDCMANXPXSQV-UHFFFAOYSA-N -1 2 325.280 1.980 20 0 EDADLM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000824204179 593955719 /nfs/dbraw/zinc/95/57/19/593955719.db2.gz OQVWPWUJEWSZKH-LBPRGKRZSA-N -1 2 348.359 1.442 20 0 EDADLM C[C@H](NC(=O)[O-])[C@@H]1CN(Cc2nc(=O)c3sccc3[nH]2)CCO1 ZINC000825360132 594172897 /nfs/dbraw/zinc/17/28/97/594172897.db2.gz OBAGPJZZAOOYNA-WPRPVWTQSA-N -1 2 338.389 1.254 20 0 EDADLM CN(CCCNC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C(=O)[O-] ZINC000828305728 594387288 /nfs/dbraw/zinc/38/72/88/594387288.db2.gz KHJDGPVCPUVYME-UHFFFAOYSA-N -1 2 336.323 1.447 20 0 EDADLM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)cc1 ZINC000828770284 594499687 /nfs/dbraw/zinc/49/96/87/594499687.db2.gz IBJQFUHOXXJOHU-SNVBAGLBSA-N -1 2 338.389 1.677 20 0 EDADLM C[C@H]1C(=O)N(NC(=O)c2cc(Cl)cc(Cl)c2[O-])C(=O)N1C ZINC000826838787 594586418 /nfs/dbraw/zinc/58/64/18/594586418.db2.gz MDRULOYIIDJSHB-YFKPBYRVSA-N -1 2 332.143 1.626 20 0 EDADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1cnccc1C ZINC000831950534 594714130 /nfs/dbraw/zinc/71/41/30/594714130.db2.gz VCTKZJHNLKBLSB-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM O=C([O-])NC[C@@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000832567689 594759876 /nfs/dbraw/zinc/75/98/76/594759876.db2.gz HENQBPKUYDVPML-LBPRGKRZSA-N -1 2 348.334 1.589 20 0 EDADLM O=C([O-])[C@@H]1CC12CCN(C(=O)C1=NN(c3ccccc3)CC1=O)CC2 ZINC000833177876 594802829 /nfs/dbraw/zinc/80/28/29/594802829.db2.gz NXLPDENMAAXKQH-ZDUSSCGKSA-N -1 2 341.367 1.905 20 0 EDADLM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000833186264 594803326 /nfs/dbraw/zinc/80/33/26/594803326.db2.gz KYUJPYGPPDSHAM-WDEREUQCSA-N -1 2 331.328 1.859 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(OCCF)c2)cn1 ZINC000833274086 594818688 /nfs/dbraw/zinc/81/86/88/594818688.db2.gz OHAOWAHXCMEHJT-UHFFFAOYSA-N -1 2 343.336 1.117 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cn1 ZINC000319694908 600673628 /nfs/dbraw/zinc/67/36/28/600673628.db2.gz XDDVRXXVYGMWOL-UHFFFAOYSA-N -1 2 349.290 1.787 20 0 EDADLM Cn1c(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)cc2[nH]c1=S ZINC000918396126 697160460 /nfs/dbraw/zinc/16/04/60/697160460.db2.gz YQKGHOCRLPKBIU-NSHDSACASA-N -1 2 332.429 1.046 20 0 EDADLM CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000358502972 151397929 /nfs/dbraw/zinc/39/79/29/151397929.db2.gz ZXQWCPBKCIDQLJ-VIFPVBQESA-N -1 2 338.389 1.828 20 0 EDADLM Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000352443875 162184456 /nfs/dbraw/zinc/18/44/56/162184456.db2.gz SIXSBYQACQXVFM-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM CCn1cc(NS(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cn1 ZINC000059424166 441228469 /nfs/dbraw/zinc/22/84/69/441228469.db2.gz QOYUYHQEFFMYNU-UHFFFAOYSA-N -1 2 339.373 1.340 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(C(=O)[O-])co1 ZINC000183764830 442960936 /nfs/dbraw/zinc/96/09/36/442960936.db2.gz TZPISDDDNGUQCQ-UHFFFAOYSA-N -1 2 333.325 1.548 20 0 EDADLM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1C ZINC000489607799 320361819 /nfs/dbraw/zinc/36/18/19/320361819.db2.gz SLSBIMVHXYRBOX-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)C[C@@H](C)OC)c1OC ZINC000282160402 444101897 /nfs/dbraw/zinc/10/18/97/444101897.db2.gz GSRFZBAPEQSXOV-MRVPVSSYSA-N -1 2 333.362 1.179 20 0 EDADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)c1 ZINC000348734067 445356923 /nfs/dbraw/zinc/35/69/23/445356923.db2.gz GVLNPRFGOOHJQO-UHFFFAOYSA-N -1 2 345.340 1.161 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCO2 ZINC000359829295 445449707 /nfs/dbraw/zinc/44/97/07/445449707.db2.gz HBDRKLPJCJJELL-UHFFFAOYSA-N -1 2 325.298 1.816 20 0 EDADLM CCn1cnc(S(=O)(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000353925277 445814432 /nfs/dbraw/zinc/81/44/32/445814432.db2.gz NDNHYFUITMHFJC-UHFFFAOYSA-N -1 2 338.433 1.644 20 0 EDADLM C[C@H]1CCCN(C(=O)C2=NN(c3ccccc3)CC2=O)[C@@H]1C(=O)[O-] ZINC000424242780 446865713 /nfs/dbraw/zinc/86/57/13/446865713.db2.gz FDZLMGYMSMNJKA-NHYWBVRUSA-N -1 2 329.356 1.903 20 0 EDADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cn[nH]c1 ZINC000443366097 447043923 /nfs/dbraw/zinc/04/39/23/447043923.db2.gz TUSKNTSWHAKMCI-UHFFFAOYSA-N -1 2 325.346 1.696 20 0 EDADLM CC(C)(C)OC(=O)NC(C(=O)[N-]OC[C@H]1CCOC1)C(F)(F)F ZINC000497010090 448119914 /nfs/dbraw/zinc/11/99/14/448119914.db2.gz VZZZWDSPHKQORA-DTWKUNHWSA-N -1 2 342.314 1.526 20 0 EDADLM COCCn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)n1 ZINC000591682214 448449577 /nfs/dbraw/zinc/44/95/77/448449577.db2.gz FRVIPDVKQFLBIQ-UHFFFAOYSA-N -1 2 345.402 1.398 20 0 EDADLM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)NC[C@@H](C)N2CCc3ccccc32)C1 ZINC000578110875 448462220 /nfs/dbraw/zinc/46/22/20/448462220.db2.gz YQQASOPIYZYMEA-XPKDYRNWSA-N -1 2 347.415 1.321 20 0 EDADLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cnn(CCF)c2)cc1 ZINC000629320289 450601588 /nfs/dbraw/zinc/60/15/88/450601588.db2.gz GXEBHGWZVJAKBB-UHFFFAOYSA-N -1 2 341.364 1.671 20 0 EDADLM O=C(N=c1nc(-c2ccccc2)[nH]s1)c1c[n-]n2c1nccc2=O ZINC000646690777 453561878 /nfs/dbraw/zinc/56/18/78/453561878.db2.gz RSPVDGRELAGUGV-UHFFFAOYSA-N -1 2 338.352 1.215 20 0 EDADLM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C2=NNC(=O)C2)cc1 ZINC000736296451 578973942 /nfs/dbraw/zinc/97/39/42/578973942.db2.gz FGTRCAACQYLMKA-LBPRGKRZSA-N -1 2 331.372 1.492 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)NC[C@H](C)C(=O)[O-])cc2[nH]c1=S ZINC000737295714 579067687 /nfs/dbraw/zinc/06/76/87/579067687.db2.gz OAIXOSJMNLNQME-QMMMGPOBSA-N -1 2 335.385 1.156 20 0 EDADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(N(C)C)cn1 ZINC000738277443 579180882 /nfs/dbraw/zinc/18/08/82/579180882.db2.gz YUCIUNJIUKJOLZ-UHFFFAOYSA-N -1 2 335.385 1.955 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cccc(CN(C)C(=O)[O-])c2)cn1 ZINC000739570329 579219478 /nfs/dbraw/zinc/21/94/78/579219478.db2.gz OIDGMJFGWFAPMD-UHFFFAOYSA-N -1 2 338.389 1.814 20 0 EDADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cnc(Cl)n2C)c1 ZINC000765059293 580134203 /nfs/dbraw/zinc/13/42/03/580134203.db2.gz BJSBBOKTOOCUNU-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000773651597 580343370 /nfs/dbraw/zinc/34/33/70/580343370.db2.gz SGWXTKNYWNNNMV-SECBINFHSA-N -1 2 345.384 1.960 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000788454596 580721622 /nfs/dbraw/zinc/72/16/22/580721622.db2.gz MGBZUFBSOAFNAR-SCZZXKLOSA-N -1 2 325.308 1.725 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N(CC(=O)[O-])C2CC2)=N1 ZINC000908894046 592648599 /nfs/dbraw/zinc/64/85/99/592648599.db2.gz XLOIMLARRWEJGY-UHFFFAOYSA-N -1 2 329.356 1.830 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)ccc1F ZINC000735028068 592973843 /nfs/dbraw/zinc/97/38/43/592973843.db2.gz MEFUXMKAKNVPJA-UHFFFAOYSA-N -1 2 349.290 1.786 20 0 EDADLM O=C(NC[C@@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1)C(F)(F)F ZINC000810070581 593379465 /nfs/dbraw/zinc/37/94/65/593379465.db2.gz QMQMSVZNISUXMI-NSHDSACASA-N -1 2 345.369 1.505 20 0 EDADLM Cc1ccc(S(=O)(=O)NC(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000821099060 593965524 /nfs/dbraw/zinc/96/55/24/593965524.db2.gz XPLBECARIDAKIS-UHFFFAOYSA-N -1 2 325.367 1.873 20 0 EDADLM CC(C)COC[C@H](O)CNc1[nH+]c2c(cc1-c1nn[nH]n1)CCCC2 ZINC000824270804 593973336 /nfs/dbraw/zinc/97/33/36/593973336.db2.gz HGISQOLEPAKHOK-CYBMUJFWSA-N -1 2 346.435 1.586 20 0 EDADLM CCn1cc(S(=O)(=O)NC(=O)c2cccc(NC(=O)[O-])c2)cn1 ZINC000827707006 594262004 /nfs/dbraw/zinc/26/20/04/594262004.db2.gz NZIBTNFZDRSKBC-UHFFFAOYSA-N -1 2 338.345 1.112 20 0 EDADLM CCc1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n(C)n1 ZINC000830224027 594358078 /nfs/dbraw/zinc/35/80/78/594358078.db2.gz FALVZILMZBQDSP-RMKNXTFCSA-N -1 2 335.385 1.881 20 0 EDADLM C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(C(=O)[O-])ccn3)ccc2O1 ZINC000828516017 594442667 /nfs/dbraw/zinc/44/26/67/594442667.db2.gz HPXRANIKANPJBX-VIFPVBQESA-N -1 2 334.353 1.904 20 0 EDADLM CN(C)c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])nc1 ZINC000830639656 594444979 /nfs/dbraw/zinc/44/49/79/594444979.db2.gz LMTGOLGKZSNJLC-UHFFFAOYSA-N -1 2 328.375 1.103 20 0 EDADLM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000831166109 594573189 /nfs/dbraw/zinc/57/31/89/594573189.db2.gz QHAZXFFNCKFNBJ-XLNGHYISSA-N -1 2 346.475 1.840 20 0 EDADLM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000831166106 594573193 /nfs/dbraw/zinc/57/31/93/594573193.db2.gz QHAZXFFNCKFNBJ-MWQQHZPXSA-N -1 2 346.475 1.840 20 0 EDADLM CCCCC[C@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000829339040 594599513 /nfs/dbraw/zinc/59/95/13/594599513.db2.gz AUWKSHWYTFWKMO-JTQLQIEISA-N -1 2 334.332 1.199 20 0 EDADLM CCCCc1nnc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])s1 ZINC000829439658 594613187 /nfs/dbraw/zinc/61/31/87/594613187.db2.gz BPSPPWAALWKFEW-UHFFFAOYSA-N -1 2 345.406 1.411 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Oc2ccsc2C(=O)[O-])c[nH]1 ZINC000831354175 594613534 /nfs/dbraw/zinc/61/35/34/594613534.db2.gz VDPKUIABRWHANH-UHFFFAOYSA-N -1 2 331.327 1.329 20 0 EDADLM COCCn1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])cn1 ZINC000831807620 594704365 /nfs/dbraw/zinc/70/43/65/594704365.db2.gz ROATZFJIOKOLRP-UHFFFAOYSA-N -1 2 343.336 1.168 20 0 EDADLM O=C([O-])N1CCCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000832014789 594719432 /nfs/dbraw/zinc/71/94/32/594719432.db2.gz CUDVUMQKHSSUBY-UHFFFAOYSA-N -1 2 330.344 1.404 20 0 EDADLM O=C([O-])NC[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)C1CC1 ZINC000832428931 594749910 /nfs/dbraw/zinc/74/99/10/594749910.db2.gz XVYPXUFLEOUYAY-LBPRGKRZSA-N -1 2 330.344 1.354 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cn1 ZINC000833683378 594905622 /nfs/dbraw/zinc/90/56/22/594905622.db2.gz ODHFHBJKRIKWPM-UHFFFAOYSA-N -1 2 328.325 1.933 20 0 EDADLM O=C([O-])c1csc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC000833784934 594928880 /nfs/dbraw/zinc/92/88/80/594928880.db2.gz UEBLNDZFXKYGNQ-SECBINFHSA-N -1 2 343.386 1.405 20 0 EDADLM CC(C)(C)[N@@H+]1CC[C@@H](NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C1 ZINC000872503339 596939515 /nfs/dbraw/zinc/93/95/15/596939515.db2.gz KPBAPYKCIONIQF-BIBXISHDSA-N -1 2 339.527 1.590 20 0 EDADLM O=C([O-])Cc1csc(NS(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000036961523 600050819 /nfs/dbraw/zinc/05/08/19/600050819.db2.gz MHRSZKFDHUOHAG-UHFFFAOYSA-N -1 2 334.325 1.849 20 0 EDADLM Cc1nc(C)c(CC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]1 ZINC000124274370 138325508 /nfs/dbraw/zinc/32/55/08/138325508.db2.gz KTOIMRPBKMWGKY-NHYWBVRUSA-N -1 2 329.404 1.235 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000569977767 306527478 /nfs/dbraw/zinc/52/74/78/306527478.db2.gz PJTXNPOOIWDTIK-GZMMTYOYSA-N -1 2 347.364 1.842 20 0 EDADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000357498137 151048436 /nfs/dbraw/zinc/04/84/36/151048436.db2.gz SURWAXGEZMOACR-UHFFFAOYSA-N -1 2 345.327 1.576 20 0 EDADLM CC(C)Cn1cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cn1 ZINC000360856996 152231909 /nfs/dbraw/zinc/23/19/09/152231909.db2.gz IOLBTPDVJSNFQW-UHFFFAOYSA-N -1 2 337.401 1.967 20 0 EDADLM CC(C)(C)CN1CCC[C@H]([N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)C1=O ZINC000408455953 158366224 /nfs/dbraw/zinc/36/62/24/158366224.db2.gz FTRFNNWNTQZXAH-OLZOCXBDSA-N -1 2 336.436 1.992 20 0 EDADLM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc(F)c(O)c(F)c1 ZINC000191972907 272983278 /nfs/dbraw/zinc/98/32/78/272983278.db2.gz PAJVPYOUMWIWPK-UHFFFAOYSA-N -1 2 333.254 1.192 20 0 EDADLM O=S(=O)(NCC[NH+]1CCC(O)CC1)c1cc(Cl)ccc1F ZINC000295211834 303189348 /nfs/dbraw/zinc/18/93/48/303189348.db2.gz ABYYJPFUIVOKLV-UHFFFAOYSA-N -1 2 336.816 1.214 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)[C@H]1CCCOC1 ZINC000548588067 306132167 /nfs/dbraw/zinc/13/21/67/306132167.db2.gz GTKJSRAMNCIGIL-VIFPVBQESA-N -1 2 347.364 1.843 20 0 EDADLM O=C([O-])[C@H](NS(=O)(=O)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000555674237 306204826 /nfs/dbraw/zinc/20/48/26/306204826.db2.gz MXFUEBZJZLJEBF-MRVPVSSYSA-N -1 2 331.699 1.947 20 0 EDADLM C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1nn[nH]n1 ZINC000124323881 441917875 /nfs/dbraw/zinc/91/78/75/441917875.db2.gz JTYOLZCLKVRJJA-ZBFHGGJFSA-N -1 2 342.447 1.816 20 0 EDADLM COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc(Cl)c1O ZINC000153896879 442309217 /nfs/dbraw/zinc/30/92/17/442309217.db2.gz XLLURSVEODZWBJ-GHMZBOCLSA-N -1 2 342.823 1.581 20 0 EDADLM CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCc2cccc(O)c21 ZINC000283420218 443627467 /nfs/dbraw/zinc/62/74/67/443627467.db2.gz MDDYGMHEXRWQNS-AWEZNQCLSA-N -1 2 328.372 1.142 20 0 EDADLM COc1cc(NS(=O)(=O)c2cnn(C)c2C)ccc1C(=O)[O-] ZINC000320762106 444332288 /nfs/dbraw/zinc/33/22/88/444332288.db2.gz VXKWGXBEYNOOAA-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000340742402 444495612 /nfs/dbraw/zinc/49/56/12/444495612.db2.gz QLFJMQJLGNHSTR-UHFFFAOYSA-N -1 2 345.327 1.956 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2ccn(C)n2)c(C)c1OCC(=O)[O-] ZINC000338339702 444643805 /nfs/dbraw/zinc/64/38/05/444643805.db2.gz FWQJSVGCIUPHDK-UHFFFAOYSA-N -1 2 339.373 1.301 20 0 EDADLM O=C([O-])COc1ccc(S(=O)(=O)Nc2cncnc2)cc1Cl ZINC000362215191 446267150 /nfs/dbraw/zinc/26/71/50/446267150.db2.gz MUUQXANZLQEAPM-UHFFFAOYSA-N -1 2 343.748 1.394 20 0 EDADLM C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371078101 446614895 /nfs/dbraw/zinc/61/48/95/446614895.db2.gz ZCCVQKGNOKZUAN-UQUGTXIYSA-N -1 2 346.475 1.963 20 0 EDADLM O=C(NC1CC[NH+](CC2N=NC(=O)S2)CC1)c1ccccc1F ZINC000375382655 446760526 /nfs/dbraw/zinc/76/05/26/446760526.db2.gz WYPVBALSDVDORD-UHFFFAOYSA-N -1 2 336.392 1.777 20 0 EDADLM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NS(=O)(=O)c1ccnn1C ZINC000375609273 446921346 /nfs/dbraw/zinc/92/13/46/446921346.db2.gz XZOPTGFADOHEIN-UHFFFAOYSA-N -1 2 334.361 1.020 20 0 EDADLM CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000459492485 447686630 /nfs/dbraw/zinc/68/66/30/447686630.db2.gz NTXKUUYZIGGLTC-ZDUSSCGKSA-N -1 2 347.440 1.716 20 0 EDADLM COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000609494467 450038016 /nfs/dbraw/zinc/03/80/16/450038016.db2.gz KTYOOXXXFQQTEF-UHFFFAOYSA-N -1 2 344.370 1.670 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)=N2)cc1 ZINC000646923591 451940824 /nfs/dbraw/zinc/94/08/24/451940824.db2.gz YFEMLMSVSIYGMG-WFASDCNBSA-N -1 2 342.399 1.363 20 0 EDADLM O=C([O-])C1(CNC(=O)c2cc(F)c(F)c(O)c2F)CCOCC1 ZINC000322046421 487030437 /nfs/dbraw/zinc/03/04/37/487030437.db2.gz HMYNKODGCZFZQP-UHFFFAOYSA-N -1 2 333.262 1.421 20 0 EDADLM O=C([O-])NC1(c2noc(-c3c[nH]c4nc(=O)[nH]c(=O)c-4c3)n2)CCC1 ZINC000740549384 579359408 /nfs/dbraw/zinc/35/94/08/579359408.db2.gz RWEUXSQXEHOENX-UHFFFAOYSA-N -1 2 344.287 1.133 20 0 EDADLM COCCCn1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC000737764418 578347097 /nfs/dbraw/zinc/34/70/97/578347097.db2.gz GAZAPHYPPUNMFR-UHFFFAOYSA-N -1 2 339.373 1.419 20 0 EDADLM CCn1cc[nH+]c1Cn1c(C)nnc1-c1cccc(-c2nn[nH]n2)c1 ZINC000736723258 579015368 /nfs/dbraw/zinc/01/53/68/579015368.db2.gz UYDGNRKYCZMJNF-UHFFFAOYSA-N -1 2 335.375 1.698 20 0 EDADLM O=C([O-])CCCOc1ccc(NS(=O)(=O)c2c[nH]cn2)cc1 ZINC000739686872 579236379 /nfs/dbraw/zinc/23/63/79/579236379.db2.gz CVFPATURFIIKCG-UHFFFAOYSA-N -1 2 325.346 1.454 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)CC(C)(C)NC(=O)[O-])c(C)s1 ZINC000740091480 579288975 /nfs/dbraw/zinc/28/89/75/579288975.db2.gz PANPSUVTLIBJHM-UHFFFAOYSA-N -1 2 334.419 1.606 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740244232 579304779 /nfs/dbraw/zinc/30/47/79/579304779.db2.gz APLLLUUECGPGHJ-UHFFFAOYSA-N -1 2 325.350 1.323 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1F ZINC000776426203 580417004 /nfs/dbraw/zinc/41/70/04/580417004.db2.gz HENSPSAIYYLPIX-UHFFFAOYSA-N -1 2 329.309 1.067 20 0 EDADLM C[C@H]1CN(C(=O)C2=NN(c3ccccc3)CC2=O)CC[C@@H]1C(=O)[O-] ZINC000902166905 591936420 /nfs/dbraw/zinc/93/64/20/591936420.db2.gz XNHWERWOAHKSLM-AAEUAGOBSA-N -1 2 329.356 1.761 20 0 EDADLM CCc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)nn1C ZINC000817353225 593594206 /nfs/dbraw/zinc/59/42/06/593594206.db2.gz QMSFCOGWOXLMDR-UHFFFAOYSA-N -1 2 337.401 1.801 20 0 EDADLM CC(=O)NCCN(C(=O)c1cccc(Cl)c1O)[C@H](C)C(=O)[O-] ZINC000819757907 593767303 /nfs/dbraw/zinc/76/73/03/593767303.db2.gz DHBSVNWZQRHTTC-MRVPVSSYSA-N -1 2 328.752 1.097 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](O)CC(C)(C)C ZINC000821259390 594000039 /nfs/dbraw/zinc/00/00/39/594000039.db2.gz IRYPPXMWYQAFLW-CSMHCCOUSA-N -1 2 335.344 1.107 20 0 EDADLM CN(Cc1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1)C(=O)[O-] ZINC000830830573 594491010 /nfs/dbraw/zinc/49/10/10/594491010.db2.gz IERUXIFGTWMCFF-SNVBAGLBSA-N -1 2 336.373 1.291 20 0 EDADLM CN(Cc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1)C(=O)[O-] ZINC000830830573 594491012 /nfs/dbraw/zinc/49/10/12/594491012.db2.gz IERUXIFGTWMCFF-SNVBAGLBSA-N -1 2 336.373 1.291 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(C)n1 ZINC000832413438 594748667 /nfs/dbraw/zinc/74/86/67/594748667.db2.gz XKNQMRHNJPWKQV-UHFFFAOYSA-N -1 2 326.330 1.799 20 0 EDADLM COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)nc1 ZINC000832419586 594749043 /nfs/dbraw/zinc/74/90/43/594749043.db2.gz PQRMYZODKUBJKO-UHFFFAOYSA-N -1 2 338.341 1.354 20 0 EDADLM O=C([O-])NC[C@@H]1CCCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000832533241 594757060 /nfs/dbraw/zinc/75/70/60/594757060.db2.gz IZGTYPPBDXNNIT-LBPRGKRZSA-N -1 2 344.371 1.698 20 0 EDADLM Cc1cc(C(=O)N2CCC(CC(=O)[O-])CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000832860547 594781649 /nfs/dbraw/zinc/78/16/49/594781649.db2.gz HLBZDCFFPTYMFI-UHFFFAOYSA-N -1 2 346.343 1.071 20 0 EDADLM Cc1ccc(CCC(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])o1 ZINC000832930777 594785549 /nfs/dbraw/zinc/78/55/49/594785549.db2.gz NIYFLBMSAFYLSU-UHFFFAOYSA-N -1 2 343.382 1.785 20 0 EDADLM O=C([O-])c1ccnc(NS(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000833335559 594829291 /nfs/dbraw/zinc/82/92/91/594829291.db2.gz ZIICSUXRLQPUBO-UHFFFAOYSA-N -1 2 336.325 1.352 20 0 EDADLM CC(C)OCCCC(=O)NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833504124 594860953 /nfs/dbraw/zinc/86/09/53/594860953.db2.gz YEPCMVTYYRQPRA-UHFFFAOYSA-N -1 2 335.403 1.456 20 0 EDADLM C[C@H]1CN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)[C@@H](C)CN1C(=O)[O-] ZINC000833838037 594945564 /nfs/dbraw/zinc/94/55/64/594945564.db2.gz VHLBJAVLOABWET-UWVGGRQHSA-N -1 2 346.343 1.243 20 0 EDADLM CCc1nnc([C@@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)[nH]1 ZINC000852060355 596027077 /nfs/dbraw/zinc/02/70/77/596027077.db2.gz DFHCUTZTCCABCF-NXEZZACHSA-N -1 2 333.358 1.819 20 0 EDADLM CCc1nnc([C@@H](C)[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)[nH]1 ZINC000852060355 596027082 /nfs/dbraw/zinc/02/70/82/596027082.db2.gz DFHCUTZTCCABCF-NXEZZACHSA-N -1 2 333.358 1.819 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000864439595 596238529 /nfs/dbraw/zinc/23/85/29/596238529.db2.gz BQXQXYDQKFZCOQ-RXMQYKEDSA-N -1 2 332.325 1.254 20 0 EDADLM O=C(NCCc1csc([C@H]2C[N@H+]3CCC[C@@H]3CO2)n1)C(F)(F)F ZINC000864367288 596872030 /nfs/dbraw/zinc/87/20/30/596872030.db2.gz RUGNIRWSGHJZGF-GHMZBOCLSA-N -1 2 349.378 1.900 20 0 EDADLM Cc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000037461816 600052848 /nfs/dbraw/zinc/05/28/48/600052848.db2.gz JHGXYAMEOJBKJA-UHFFFAOYSA-N -1 2 346.817 2.533 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1F ZINC000314292383 600052878 /nfs/dbraw/zinc/05/28/78/600052878.db2.gz MNPXEKCPSHAFON-UHFFFAOYSA-N -1 2 346.361 1.719 20 0 EDADLM Cc1noc([C@@H](C)[NH+]2CCC(NC(=O)c3c(C)nc[nH]c3=O)CC2)n1 ZINC001003473177 710364053 /nfs/dbraw/zinc/36/40/53/710364053.db2.gz IGYSOCNRHWEGPE-SNVBAGLBSA-N -1 2 346.391 1.137 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000274869803 540057534 /nfs/dbraw/zinc/05/75/34/540057534.db2.gz ALDSTURJTYVLCH-XCBNKYQSSA-N -1 2 341.307 1.258 20 0 EDADLM Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000227864381 139022661 /nfs/dbraw/zinc/02/26/61/139022661.db2.gz UDWPQYCGLIQJNO-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000227864397 139022745 /nfs/dbraw/zinc/02/27/45/139022745.db2.gz WMZHSMAGDRCQTD-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)C[C@H](C)C(=O)[O-])=N1 ZINC000263245001 139330630 /nfs/dbraw/zinc/33/06/30/139330630.db2.gz SBWBCMPBHILILT-JTQLQIEISA-N -1 2 335.335 1.818 20 0 EDADLM CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)n1 ZINC000374635949 157352942 /nfs/dbraw/zinc/35/29/42/157352942.db2.gz HIMZBBLUDGFKTG-NSHDSACASA-N -1 2 332.408 1.573 20 0 EDADLM Cn1ncc2c1ncc(C(=O)N[C@H]1C[N@H+](C)Cc3ccccc31)c2O ZINC000374734469 157382033 /nfs/dbraw/zinc/38/20/33/157382033.db2.gz HTJIWUNYUKLXNX-HNNXBMFYSA-N -1 2 337.383 1.590 20 0 EDADLM CC(C)(C)CN1CCC[C@H]([N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)C1=O ZINC000408455957 158366088 /nfs/dbraw/zinc/36/60/88/158366088.db2.gz FTRFNNWNTQZXAH-STQMWFEESA-N -1 2 336.436 1.992 20 0 EDADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cn(C)nc1C ZINC000352432621 162178720 /nfs/dbraw/zinc/17/87/20/162178720.db2.gz UJKASHHHOBQNMO-UHFFFAOYSA-N -1 2 341.414 1.949 20 0 EDADLM O=C([O-])c1ccc(CNC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1 ZINC000427978160 305002838 /nfs/dbraw/zinc/00/28/38/305002838.db2.gz XXJUNIASAGNFNS-UHFFFAOYSA-N -1 2 340.295 1.064 20 0 EDADLM Cc1nc(S(=O)(=O)[N-]c2ccc([NH+](C)C)cc2C(=O)[O-])cn1C ZINC000548536806 306130742 /nfs/dbraw/zinc/13/07/42/306130742.db2.gz VAFFHJQELAEZKK-UHFFFAOYSA-N -1 2 338.389 1.294 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000560416019 321027452 /nfs/dbraw/zinc/02/74/52/321027452.db2.gz RCCBUVCLBXXANR-RITPCOANSA-N -1 2 345.261 1.900 20 0 EDADLM COC(=O)c1nscc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000350729548 445890262 /nfs/dbraw/zinc/89/02/62/445890262.db2.gz LGQZZAYCSMRPCV-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM Cn1c(Cl)cnc1CN1CCC[N@H+](CC2N=NC(=O)S2)CC1 ZINC000366943005 446420511 /nfs/dbraw/zinc/42/05/11/446420511.db2.gz JLNSVMSHLHOKSS-UHFFFAOYSA-N -1 2 342.856 1.339 20 0 EDADLM Cc1ccsc1S(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000443410856 447048455 /nfs/dbraw/zinc/04/84/55/447048455.db2.gz OZKSGVFRQNWPHG-UHFFFAOYSA-N -1 2 337.386 1.539 20 0 EDADLM CSc1cccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1 ZINC000576719228 448126999 /nfs/dbraw/zinc/12/69/99/448126999.db2.gz HGYWONVFSKCDOI-UHFFFAOYSA-N -1 2 327.387 1.641 20 0 EDADLM C[C@H]1CCN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)C[C@@H]1C(=O)[O-] ZINC000578988090 448686731 /nfs/dbraw/zinc/68/67/31/448686731.db2.gz IRZZOMNBTDCHEH-IUCAKERBSA-N -1 2 326.422 1.832 20 0 EDADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)[nH]n1 ZINC000629314408 450592754 /nfs/dbraw/zinc/59/27/54/450592754.db2.gz HQJDJGRAVCYGNO-UHFFFAOYSA-N -1 2 337.357 1.406 20 0 EDADLM CCO[N-]C(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)[O-] ZINC000739488983 579212054 /nfs/dbraw/zinc/21/20/54/579212054.db2.gz WUBSOIANFKSENI-AWEZNQCLSA-N -1 2 332.360 1.178 20 0 EDADLM O=C([O-])Cn1ccc(NS(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000739919629 579268192 /nfs/dbraw/zinc/26/81/92/579268192.db2.gz CPYLKOPXCRWGLS-UHFFFAOYSA-N -1 2 331.353 1.922 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC000776599460 580423658 /nfs/dbraw/zinc/42/36/58/580423658.db2.gz HHVZOEZPVQRRJM-APPZFPTMSA-N -1 2 333.328 1.127 20 0 EDADLM O=C(NCCn1cc[nH+]c1)C(F)(F)c1ncccc1Br ZINC000906130036 592744363 /nfs/dbraw/zinc/74/43/63/592744363.db2.gz KMGKIQKFRYYPID-UHFFFAOYSA-N -1 2 345.147 1.949 20 0 EDADLM O=C([O-])[C@]1(CNC(=O)c2cc(F)c(O)c(Cl)c2)CCCOC1 ZINC000910307280 592827773 /nfs/dbraw/zinc/82/77/73/592827773.db2.gz UDWXLXKRMUBPPJ-AWEZNQCLSA-N -1 2 331.727 1.796 20 0 EDADLM CO[C@H](C)c1noc(C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)n1 ZINC000821675038 593906861 /nfs/dbraw/zinc/90/68/61/593906861.db2.gz BMCGLFJPIOTXEV-SNVBAGLBSA-N -1 2 329.364 1.589 20 0 EDADLM C[C@@H](NC(=O)[O-])[C@H]1CN(Cc2nc(=O)c3sccc3[nH]2)CCO1 ZINC000825360127 594172882 /nfs/dbraw/zinc/17/28/82/594172882.db2.gz OBAGPJZZAOOYNA-PSASIEDQSA-N -1 2 338.389 1.254 20 0 EDADLM COc1cc(NC(=O)C[C@H]2SC(=N)NC2=O)ccc1NC(=O)[O-] ZINC000829154078 594574947 /nfs/dbraw/zinc/57/49/47/594574947.db2.gz URUNCSLVJRMTLQ-SECBINFHSA-N -1 2 338.345 1.280 20 0 EDADLM COc1cc(NC(=O)CC2SC(=N)NC2=O)ccc1NC(=O)[O-] ZINC000829154078 594574948 /nfs/dbraw/zinc/57/49/48/594574948.db2.gz URUNCSLVJRMTLQ-SECBINFHSA-N -1 2 338.345 1.280 20 0 EDADLM N=C1NC(=O)[C@@H](CC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])S1 ZINC000831238885 594588937 /nfs/dbraw/zinc/58/89/37/594588937.db2.gz ANOKGHGBJDSQNN-LLVKDONJSA-N -1 2 348.384 1.612 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])S1 ZINC000831238885 594588939 /nfs/dbraw/zinc/58/89/39/594588939.db2.gz ANOKGHGBJDSQNN-LLVKDONJSA-N -1 2 348.384 1.612 20 0 EDADLM CCN(Cc1ccccc1NC(=O)NCc1n[nH]c(=O)[nH]1)C(=O)[O-] ZINC000827187035 594651126 /nfs/dbraw/zinc/65/11/26/594651126.db2.gz NDWVCBXSXGFKQX-UHFFFAOYSA-N -1 2 334.336 1.332 20 0 EDADLM O=C([O-])N1CCC[C@H]1CNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000831648066 594689866 /nfs/dbraw/zinc/68/98/66/594689866.db2.gz SPIHEBPATZMCAP-LBPRGKRZSA-N -1 2 330.344 1.450 20 0 EDADLM Cc1nc(C)c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)s1 ZINC000832996191 594789888 /nfs/dbraw/zinc/78/98/88/594789888.db2.gz SEBZQSGKHQYSSK-UHFFFAOYSA-N -1 2 333.416 1.644 20 0 EDADLM O=C([O-])COc1ccc(NS(=O)(=O)c2cn[nH]c2)c2ccccc12 ZINC000833259425 594815412 /nfs/dbraw/zinc/81/54/12/594815412.db2.gz OAOLRXRYQDYHAT-UHFFFAOYSA-N -1 2 347.352 1.827 20 0 EDADLM O=C(CC[C@@H]1CCCN1C(=O)[O-])Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000833998937 594985737 /nfs/dbraw/zinc/98/57/37/594985737.db2.gz VGQUDNXKFGBITK-LBPRGKRZSA-N -1 2 346.343 1.891 20 0 EDADLM CCO[N-]C(=O)CNC(=O)c1cc(Br)cc(F)c1O ZINC000869148912 596425091 /nfs/dbraw/zinc/42/50/91/596425091.db2.gz NGUFHGGXTAHYPL-UHFFFAOYSA-N -1 2 335.129 1.091 20 0 EDADLM CC(C)Oc1cncc(S(=O)(=O)NC(=O)[C@H](C(=O)[O-])C(C)C)c1 ZINC000863963683 596734641 /nfs/dbraw/zinc/73/46/41/596734641.db2.gz DLMIXMMQMWSJFH-GFCCVEGCSA-N -1 2 344.389 1.031 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)cn1 ZINC000392100895 600674670 /nfs/dbraw/zinc/67/46/70/600674670.db2.gz QJCHZHKPUWJWCP-UHFFFAOYSA-N -1 2 347.356 1.159 20 0 EDADLM COc1cccc(N2CC[NH+](CCSCc3nn[nH]n3)CC2)c1 ZINC000918737078 697204470 /nfs/dbraw/zinc/20/44/70/697204470.db2.gz BHANBVXPJHZBKK-UHFFFAOYSA-N -1 2 334.449 1.264 20 0 EDADLM C[C@H](NC(=O)c1ccccc1O)C1CC[NH+](Cc2cnon2)CC1 ZINC000997490226 703747542 /nfs/dbraw/zinc/74/75/42/703747542.db2.gz FVOJJVSPBUAQEM-LBPRGKRZSA-N -1 2 330.388 1.806 20 0 EDADLM CCN(C(=O)C1CCCC1)[C@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000997903534 704877593 /nfs/dbraw/zinc/87/75/93/704877593.db2.gz XUXAOCWZMGTIHM-HNNXBMFYSA-N -1 2 349.479 1.502 20 0 EDADLM C[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C[C@@H]1C(=O)[O-] ZINC000563536801 306338039 /nfs/dbraw/zinc/33/80/39/306338039.db2.gz OIRHICWKKVWOQR-YPMHNXCESA-N -1 2 329.356 1.761 20 0 EDADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(C)cs1 ZINC000020560239 212146430 /nfs/dbraw/zinc/14/64/30/212146430.db2.gz ZJODXRGJKKWPPL-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)=N1 ZINC000263196898 139327908 /nfs/dbraw/zinc/32/79/08/139327908.db2.gz UKHCQTORJGHKHT-QGZVFWFLSA-N -1 2 347.346 1.962 20 0 EDADLM O=C1NC(=O)N2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]12 ZINC000355328906 150220011 /nfs/dbraw/zinc/22/00/11/150220011.db2.gz UKULCIQNMUEWTQ-NSHDSACASA-N -1 2 329.278 1.321 20 0 EDADLM Cc1c(NS(=O)(=O)c2cnn(CC(F)F)c2)cccc1C(=O)[O-] ZINC000357551516 151065463 /nfs/dbraw/zinc/06/54/63/151065463.db2.gz UWWQEPXIYCSKED-UHFFFAOYSA-N -1 2 345.327 1.956 20 0 EDADLM CC(C)CCc1nc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cs1 ZINC000279068514 273278162 /nfs/dbraw/zinc/27/81/62/273278162.db2.gz MJVJGQXIJBVMNL-MRXNPFEDSA-N -1 2 336.461 1.906 20 0 EDADLM Cc1nn(C)cc1S(=O)(=O)Nc1cc(F)c(C)cc1C(=O)[O-] ZINC000548768148 306137340 /nfs/dbraw/zinc/13/73/40/306137340.db2.gz QCAWRRFJQKBYOQ-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccnn1C ZINC000267974885 442803984 /nfs/dbraw/zinc/80/39/84/442803984.db2.gz DCSJIUHFOCKCQE-UHFFFAOYSA-N -1 2 339.373 1.247 20 0 EDADLM COc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C(=O)[O-])c1 ZINC000316628745 444311617 /nfs/dbraw/zinc/31/16/17/444311617.db2.gz RIZMVOGGUOGZFS-UHFFFAOYSA-N -1 2 325.346 1.534 20 0 EDADLM Cc1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1C(=O)[O-] ZINC000340733628 444492781 /nfs/dbraw/zinc/49/27/81/444492781.db2.gz GWWYXPZBZUZQEY-UHFFFAOYSA-N -1 2 345.327 1.956 20 0 EDADLM O=c1[nH]c(CN2CC[N@@H+]3CCOC[C@@H]3C2)nc2c3ccccc3oc21 ZINC000329700545 444684556 /nfs/dbraw/zinc/68/45/56/444684556.db2.gz ZWMQGWKFNOUZGO-LBPRGKRZSA-N -1 2 340.383 1.598 20 0 EDADLM Cc1nc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)c[nH]1 ZINC000349013099 445476057 /nfs/dbraw/zinc/47/60/57/445476057.db2.gz XWIVUUFNXCZWTQ-UHFFFAOYSA-N -1 2 325.346 1.372 20 0 EDADLM COc1cc(NS(=O)(=O)c2ccoc2)c(C(=O)[O-])cc1OC ZINC000349103192 445506764 /nfs/dbraw/zinc/50/67/64/445506764.db2.gz BXYCOTSUAZEAEX-UHFFFAOYSA-N -1 2 327.314 1.796 20 0 EDADLM O=C([O-])[C@H](CNS(=O)(=O)CC(F)(F)F)Cc1cccc(F)c1 ZINC000566178338 448405841 /nfs/dbraw/zinc/40/58/41/448405841.db2.gz TWRUFPXSVGTGNS-VIFPVBQESA-N -1 2 343.298 1.551 20 0 EDADLM COc1ccc2c(c1)[nH]cc(C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c2=O ZINC000574156579 448804580 /nfs/dbraw/zinc/80/45/80/448804580.db2.gz CYHBZFSALRLRSW-MNOVXSKESA-N -1 2 344.367 1.720 20 0 EDADLM CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000622136839 451061397 /nfs/dbraw/zinc/06/13/97/451061397.db2.gz WFUKVJSUXSLPNU-ZDUSSCGKSA-N -1 2 330.388 1.633 20 0 EDADLM C[C@@H]1CN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC[C@H]1C(=O)[O-] ZINC000630561776 451244995 /nfs/dbraw/zinc/24/49/95/451244995.db2.gz RIALDYHQCYHFEX-RKDXNWHRSA-N -1 2 326.422 1.832 20 0 EDADLM CCn1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)n1 ZINC000656635064 453344147 /nfs/dbraw/zinc/34/41/47/453344147.db2.gz OLIWFSSJTXJBIT-UHFFFAOYSA-N -1 2 339.373 1.476 20 0 EDADLM O=C([O-])[C@@H]1CCCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000663025534 453651622 /nfs/dbraw/zinc/65/16/22/453651622.db2.gz ITARDVFWJWCHIX-SNVBAGLBSA-N -1 2 333.319 1.654 20 0 EDADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnnn1C ZINC000682833254 487419545 /nfs/dbraw/zinc/41/95/45/487419545.db2.gz YDFJRJITQBXMRW-UHFFFAOYSA-N -1 2 330.753 1.276 20 0 EDADLM O=C([O-])N1CSC[C@@H]1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000740469857 579350919 /nfs/dbraw/zinc/35/09/19/579350919.db2.gz MYBKBWSCWVZNPW-SECBINFHSA-N -1 2 336.329 1.021 20 0 EDADLM O=S(=O)(NCc1cccnc1-n1cc[nH+]c1)c1cncc(F)c1 ZINC000728580265 578549098 /nfs/dbraw/zinc/54/90/98/578549098.db2.gz PKEISJCMKQCZMJ-UHFFFAOYSA-N -1 2 333.348 1.280 20 0 EDADLM O=C([O-])c1ccccc1S(=O)(=O)Nc1cnn(-c2ccccn2)c1 ZINC000740242196 579304508 /nfs/dbraw/zinc/30/45/08/579304508.db2.gz RQFQBSWWQOOZQY-UHFFFAOYSA-N -1 2 344.352 1.766 20 0 EDADLM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000753086625 579872267 /nfs/dbraw/zinc/87/22/67/579872267.db2.gz UUOLXWGHFVOLMH-UHFFFAOYSA-N -1 2 345.384 1.960 20 0 EDADLM CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2cc(OC)ccc2OC)[n-]1 ZINC000895236674 591671968 /nfs/dbraw/zinc/67/19/68/591671968.db2.gz OTHGIHDBUXGSJJ-SNVBAGLBSA-N -1 2 334.376 1.849 20 0 EDADLM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900812039 592132667 /nfs/dbraw/zinc/13/26/67/592132667.db2.gz QWZFQPUOAAFGQW-DGCLKSJQSA-N -1 2 349.479 1.152 20 0 EDADLM CCc1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)nn1C ZINC000817353907 593594520 /nfs/dbraw/zinc/59/45/20/593594520.db2.gz WPLLWCFKNDLJKK-UHFFFAOYSA-N -1 2 339.373 1.490 20 0 EDADLM COc1cccc(S(O)=CC(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000820234471 593801332 /nfs/dbraw/zinc/80/13/32/593801332.db2.gz WWWLMUSKPKECOM-OAQYLSRUSA-N -1 2 345.442 1.191 20 0 EDADLM Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc(-c2nn[nH]n2)cn1C ZINC000822477128 594054348 /nfs/dbraw/zinc/05/43/48/594054348.db2.gz HBVUJPUOQLKKGV-UHFFFAOYSA-N -1 2 349.358 1.347 20 0 EDADLM CCN(CCC(=O)[O-])C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000829701740 594243708 /nfs/dbraw/zinc/24/37/08/594243708.db2.gz LQGDWJBYZRKVNK-UHFFFAOYSA-N -1 2 335.335 1.962 20 0 EDADLM O=S1(=O)CC[C@H]([N@H+](Cc2cc(-c3nn[nH]n3)cs2)C2CC2)C1 ZINC000826496604 594501163 /nfs/dbraw/zinc/50/11/63/594501163.db2.gz BFTHXSWHKIRDLC-NSHDSACASA-N -1 2 339.446 1.080 20 0 EDADLM C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000827213304 594653251 /nfs/dbraw/zinc/65/32/51/594653251.db2.gz MWDPRRWVAZLNNY-SSDOTTSWSA-N -1 2 342.402 1.810 20 0 EDADLM C[C@@H](CN(Cc1ccccc1)C(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-] ZINC000827449197 594673390 /nfs/dbraw/zinc/67/33/90/594673390.db2.gz ISQKSJGHNZLFRY-CMPLNLGQSA-N -1 2 349.412 1.292 20 0 EDADLM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)NS(=O)(=O)c2ccsc2)C1 ZINC000832323158 594742723 /nfs/dbraw/zinc/74/27/23/594742723.db2.gz BNANZZYBZYKWGL-RKDXNWHRSA-N -1 2 332.403 1.379 20 0 EDADLM O=C([O-])NC[C@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000832588913 594761735 /nfs/dbraw/zinc/76/17/35/594761735.db2.gz HJNGQUZDFRTMIU-SNVBAGLBSA-N -1 2 348.334 1.447 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000833346458 594831755 /nfs/dbraw/zinc/83/17/55/594831755.db2.gz POVICKKZWQVTBH-UHFFFAOYSA-N -1 2 338.317 1.104 20 0 EDADLM CC(C)(C)n1cnc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC000833452297 594850354 /nfs/dbraw/zinc/85/03/54/594850354.db2.gz VTZKRXHBWRSXER-UHFFFAOYSA-N -1 2 342.352 1.671 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)NC3(C(=O)[O-])CCC3)cc2[nH]c1=S ZINC000833684284 594905594 /nfs/dbraw/zinc/90/55/94/594905594.db2.gz WNFIALMGGYFNHK-UHFFFAOYSA-N -1 2 347.396 1.442 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC000871772577 596693189 /nfs/dbraw/zinc/69/31/89/596693189.db2.gz QCNAEDSYRYUIKH-VDTYLAMSSA-N -1 2 332.325 1.009 20 0 EDADLM Cc1cc(=NC(=O)N=c2ccn(C3CC[NH+](C)CC3)[nH]2)[nH]nc1C ZINC000559006883 306249331 /nfs/dbraw/zinc/24/93/31/306249331.db2.gz HEDDJHBAFIWVDB-UHFFFAOYSA-N -1 2 329.408 1.044 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cccc(OC)c2O)cc1C(=O)[O-] ZINC000351749412 539917958 /nfs/dbraw/zinc/91/79/58/539917958.db2.gz ULUAKFSQBMXWHT-UHFFFAOYSA-N -1 2 340.357 1.721 20 0 EDADLM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000263266873 139332027 /nfs/dbraw/zinc/33/20/27/139332027.db2.gz VOCBZCGNUFEYBW-VXGBXAGGSA-N -1 2 329.356 1.903 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCCC3=O)c[nH]1 ZINC000371601643 156023343 /nfs/dbraw/zinc/02/33/43/156023343.db2.gz KFLZFKRQPQVILV-UHFFFAOYSA-N -1 2 336.325 1.479 20 0 EDADLM Cc1nn(C)cc1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000352443451 162184354 /nfs/dbraw/zinc/18/43/54/162184354.db2.gz KVIPBVTTYYFZKL-UHFFFAOYSA-N -1 2 331.300 1.506 20 0 EDADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000274729972 273098057 /nfs/dbraw/zinc/09/80/57/273098057.db2.gz IAOPTBQQKVQWAV-UHFFFAOYSA-N -1 2 339.373 1.545 20 0 EDADLM COC(=O)[C@H]1CC[C@@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000288980594 444026629 /nfs/dbraw/zinc/02/66/29/444026629.db2.gz YIZTZKIHDDSGGN-YUMQZZPRSA-N -1 2 336.298 1.888 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)nn1C ZINC000336867081 444811331 /nfs/dbraw/zinc/81/13/31/444811331.db2.gz RFDJSLRCQATHDY-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM NC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000336868475 444812204 /nfs/dbraw/zinc/81/22/04/444812204.db2.gz UCIMKHMMPBCCLW-UHFFFAOYSA-N -1 2 338.316 1.424 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2scnc2C2CC2)cc1C(=O)[O-] ZINC000342776903 444862089 /nfs/dbraw/zinc/86/20/89/444862089.db2.gz IYRUGPUEPKTOAU-UHFFFAOYSA-N -1 2 327.387 1.858 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1c(C)cnn1C ZINC000349042576 445486510 /nfs/dbraw/zinc/48/65/10/445486510.db2.gz UXQJGEITKDCUEE-UHFFFAOYSA-N -1 2 343.336 1.375 20 0 EDADLM CN1CCO[C@@H]2C[N@H+](Cc3cc(=O)[nH]c(-c4ccccc4)n3)C[C@@H]21 ZINC000459357014 447645936 /nfs/dbraw/zinc/64/59/36/447645936.db2.gz ZFFUYYGGOMCDLN-JKSUJKDBSA-N -1 2 326.400 1.364 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)c(C)o1 ZINC000595384299 450099678 /nfs/dbraw/zinc/09/96/78/450099678.db2.gz VSKBTZKUNXSNMZ-QMMMGPOBSA-N -1 2 327.362 1.148 20 0 EDADLM Cc1cc(C(=O)Nc2cc(CC(C)C)[nH]n2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000616800399 450487957 /nfs/dbraw/zinc/48/79/57/450487957.db2.gz ZUDGMAOLCXGEEQ-UHFFFAOYSA-N -1 2 342.359 1.918 20 0 EDADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CCF)c1 ZINC000629318160 450597608 /nfs/dbraw/zinc/59/76/08/450597608.db2.gz PBOMJHYEXNIIPX-UHFFFAOYSA-N -1 2 341.364 1.914 20 0 EDADLM Cn1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2[nH+]ccn2C)n1 ZINC000651873935 452134705 /nfs/dbraw/zinc/13/47/05/452134705.db2.gz CYRATBKGLALGEI-AWEZNQCLSA-N -1 2 345.428 1.416 20 0 EDADLM C[C@H](Sc1ccc(NS(=O)(=O)c2cnnn2C)cc1)C(=O)[O-] ZINC000650419650 452750516 /nfs/dbraw/zinc/75/05/16/452750516.db2.gz AOCOYVYZJBGAGX-QMMMGPOBSA-N -1 2 342.402 1.181 20 0 EDADLM O=C([O-])CCCS(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000656179886 452940314 /nfs/dbraw/zinc/94/03/14/452940314.db2.gz BXHHXNXHKULJHM-DTWKUNHWSA-N -1 2 333.328 1.271 20 0 EDADLM CO[C@@H](CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1O)[C@H]1CCOC1 ZINC000656625606 453333986 /nfs/dbraw/zinc/33/39/86/453333986.db2.gz BOPIHBJHDZBMMW-WFASDCNBSA-N -1 2 343.401 1.388 20 0 EDADLM O=C([O-])C1(NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCOCC1 ZINC000663143844 453703409 /nfs/dbraw/zinc/70/34/09/453703409.db2.gz LOEWECDXTZYPMA-UHFFFAOYSA-N -1 2 349.318 1.081 20 0 EDADLM COc1cccnc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000738128218 579162462 /nfs/dbraw/zinc/16/24/62/579162462.db2.gz VILHQLKPLLSGCD-UHFFFAOYSA-N -1 2 326.305 1.728 20 0 EDADLM CCN(CCCNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(=O)[O-] ZINC000739419648 579203363 /nfs/dbraw/zinc/20/33/63/579203363.db2.gz JAQGIAXEEOHGER-UHFFFAOYSA-N -1 2 334.332 1.150 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cncnc2)cc(Cl)c1F ZINC000767048611 580180356 /nfs/dbraw/zinc/18/03/56/580180356.db2.gz VROFNDQDAQRMQO-UHFFFAOYSA-N -1 2 331.712 1.768 20 0 EDADLM CC(=O)c1ccc(F)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000783877004 580607766 /nfs/dbraw/zinc/60/77/66/580607766.db2.gz NDFDUTGLKSNGDT-UHFFFAOYSA-N -1 2 326.305 1.855 20 0 EDADLM C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1c(O)cnc2c(F)cccc21 ZINC000900614826 592071659 /nfs/dbraw/zinc/07/16/59/592071659.db2.gz TZKYQVSGCRNMSN-LBPRGKRZSA-N -1 2 346.406 1.445 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)=N1 ZINC000910798272 592892910 /nfs/dbraw/zinc/89/29/10/592892910.db2.gz WYSWGRZNKLSRRD-YABSGUDNSA-N -1 2 345.330 1.428 20 0 EDADLM O=C([O-])c1cccc(NS(=O)(=O)c2cccc3c2COC3=O)c1O ZINC000740227753 593277598 /nfs/dbraw/zinc/27/75/98/593277598.db2.gz UILIIXBPBTYRFM-UHFFFAOYSA-N -1 2 349.320 1.562 20 0 EDADLM O=C1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCCN1CC(F)(F)F ZINC000823512584 594212584 /nfs/dbraw/zinc/21/25/84/594212584.db2.gz OYWJZFZCVCGEAM-SECBINFHSA-N -1 2 344.297 1.103 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N(C)[C@H](C)CNC(=O)[O-])=N1 ZINC000827600863 594241891 /nfs/dbraw/zinc/24/18/91/594241891.db2.gz SABNGTLAQFHBRB-LLVKDONJSA-N -1 2 346.387 1.868 20 0 EDADLM CN(C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000827931836 594305898 /nfs/dbraw/zinc/30/58/98/594305898.db2.gz IZWQASKMTYAFJI-UHFFFAOYSA-N -1 2 346.343 1.244 20 0 EDADLM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000826025916 594309271 /nfs/dbraw/zinc/30/92/71/594309271.db2.gz FOIYRHGTPUKBFE-LLVKDONJSA-N -1 2 330.344 1.402 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@H](C)CN(C)C(=O)[O-])c(C)s1 ZINC000830133726 594342167 /nfs/dbraw/zinc/34/21/67/594342167.db2.gz YZJKKTYXQQXCQW-SSDOTTSWSA-N -1 2 334.419 1.416 20 0 EDADLM CN(C)c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000830640085 594444998 /nfs/dbraw/zinc/44/49/98/594444998.db2.gz YWXHGRZXZHBNJM-UHFFFAOYSA-N -1 2 327.387 1.708 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Nc2csnc2C(=O)[O-])cs1 ZINC000831353099 594613496 /nfs/dbraw/zinc/61/34/96/594613496.db2.gz BKJFRFJHWUKWAV-UHFFFAOYSA-N -1 2 348.383 1.490 20 0 EDADLM CCCc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)s1 ZINC000829574059 594643365 /nfs/dbraw/zinc/64/33/65/594643365.db2.gz OWSLFEUSUXRMCU-UHFFFAOYSA-N -1 2 327.387 1.990 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)cc1C(=O)[O-] ZINC000833055538 594794821 /nfs/dbraw/zinc/79/48/21/594794821.db2.gz SFFZIDKWMVCOOB-UHFFFAOYSA-N -1 2 349.290 1.938 20 0 EDADLM O=C([O-])C1(CNC(=O)C2=NN(c3ccccc3)CC2=O)CCCC1 ZINC000833137198 594800569 /nfs/dbraw/zinc/80/05/69/594800569.db2.gz WKJRWVGMZHQGPW-UHFFFAOYSA-N -1 2 329.356 1.953 20 0 EDADLM O=C([O-])Nc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)cc(C(F)(F)F)c1 ZINC000833282192 594819985 /nfs/dbraw/zinc/81/99/85/594819985.db2.gz UJBQGDJUDVINQD-UHFFFAOYSA-N -1 2 345.237 1.549 20 0 EDADLM CC(C)(C)c1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)no1 ZINC000833450425 594850033 /nfs/dbraw/zinc/85/00/33/594850033.db2.gz BBIHCJZMBTVEQA-UHFFFAOYSA-N -1 2 325.346 1.866 20 0 EDADLM C[C@@H]1C[C@H](C(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])CCO1 ZINC000833588006 594880858 /nfs/dbraw/zinc/88/08/58/594880858.db2.gz BMFVAVRZZYRGLF-HTQZYQBOSA-N -1 2 333.387 1.066 20 0 EDADLM COc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ncn1 ZINC000833730131 594917670 /nfs/dbraw/zinc/91/76/70/594917670.db2.gz XCGOZFGBJSCUSR-UHFFFAOYSA-N -1 2 343.748 1.638 20 0 EDADLM COc1ccc(O)c(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000833733203 594918335 /nfs/dbraw/zinc/91/83/35/594918335.db2.gz CJLDQMCUBQFQJX-UHFFFAOYSA-N -1 2 329.355 1.961 20 0 EDADLM O=C([O-])N[C@H](CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C1CC1 ZINC000834147550 595028655 /nfs/dbraw/zinc/02/86/55/595028655.db2.gz QKFIXWDSJAJDNX-GFCCVEGCSA-N -1 2 348.334 1.493 20 0 EDADLM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@@H+]1CC=C(Cl)Cl ZINC000852733109 596235027 /nfs/dbraw/zinc/23/50/27/596235027.db2.gz MHGRSWVUYPYARY-SVRRBLITSA-N -1 2 349.136 1.902 20 0 EDADLM O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1CC=C(Cl)Cl ZINC000852733109 596235028 /nfs/dbraw/zinc/23/50/28/596235028.db2.gz MHGRSWVUYPYARY-SVRRBLITSA-N -1 2 349.136 1.902 20 0 EDADLM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1CC=C(Cl)Cl ZINC000852733109 596235029 /nfs/dbraw/zinc/23/50/29/596235029.db2.gz MHGRSWVUYPYARY-SVRRBLITSA-N -1 2 349.136 1.902 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1F ZINC000037461805 600052813 /nfs/dbraw/zinc/05/28/13/600052813.db2.gz ZFTULZBEKYFFKE-UHFFFAOYSA-N -1 2 330.362 2.019 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)cn1 ZINC000324810404 600677837 /nfs/dbraw/zinc/67/78/37/600677837.db2.gz CRPPACJRLFSGIZ-UHFFFAOYSA-N -1 2 347.356 1.159 20 0 EDADLM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000321841604 600982474 /nfs/dbraw/zinc/98/24/74/600982474.db2.gz IJYKGDNWSOHPKR-UHFFFAOYSA-N -1 2 337.313 1.797 20 0 EDADLM CC(C)=CC(=O)N1C[C@@H](C[NH2+]Cc2n[nH]c(=O)[nH]2)[C@@H](C(F)(F)F)C1 ZINC000996826345 703111212 /nfs/dbraw/zinc/11/12/12/703111212.db2.gz TYHGMWPCJJARLO-ZJUUUORDSA-N -1 2 347.341 1.203 20 0 EDADLM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000263266869 139332086 /nfs/dbraw/zinc/33/20/86/139332086.db2.gz VOCBZCGNUFEYBW-NWDGAFQWSA-N -1 2 329.356 1.903 20 0 EDADLM CCOC(=O)CC[C@@H](C)NC(=O)N=c1nc([C@@H](C)OC)[n-]s1 ZINC000350666848 143548353 /nfs/dbraw/zinc/54/83/53/143548353.db2.gz MUOHORDYBPKIRD-RKDXNWHRSA-N -1 2 330.410 1.521 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cccnc1 ZINC000548588816 306132323 /nfs/dbraw/zinc/13/23/23/306132323.db2.gz XCXZEKCFPOZYCE-UHFFFAOYSA-N -1 2 326.305 1.728 20 0 EDADLM Cc1cc(C)c(CNC(=O)NCc2nc(C(F)(F)F)n[nH]2)c[nH+]1 ZINC000458645880 447438073 /nfs/dbraw/zinc/43/80/73/447438073.db2.gz DRBJLCGMWPFWGS-UHFFFAOYSA-N -1 2 328.298 1.835 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000091021669 441650265 /nfs/dbraw/zinc/65/02/65/441650265.db2.gz FYUNZNXOTHNMOW-UHFFFAOYSA-N -1 2 337.401 1.801 20 0 EDADLM CCCn1c(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)nc2ccccc21 ZINC000193469537 442745847 /nfs/dbraw/zinc/74/58/47/442745847.db2.gz XJFRUUBNPOZXHL-GOSISDBHSA-N -1 2 341.415 1.620 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000317488567 318936113 /nfs/dbraw/zinc/93/61/13/318936113.db2.gz MASUTSNMNKDVDV-UHFFFAOYSA-N -1 2 325.346 1.242 20 0 EDADLM CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2O)CC1 ZINC000414380400 319325462 /nfs/dbraw/zinc/32/54/62/319325462.db2.gz IZOYRSAQMKROBO-UHFFFAOYSA-N -1 2 341.385 1.822 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@H](Cc1ccccn1)C(=O)[O-] ZINC000548532988 320884505 /nfs/dbraw/zinc/88/45/05/320884505.db2.gz WRJMIJCKKNTVJX-IUCAKERBSA-N -1 2 340.323 1.195 20 0 EDADLM CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3nc(C4CC4)no3)CC2)n1 ZINC000277715076 444028615 /nfs/dbraw/zinc/02/86/15/444028615.db2.gz ISXRAKHWBLYRJI-UHFFFAOYSA-N -1 2 346.391 1.621 20 0 EDADLM CC(=O)Nc1ccc(NS(=O)(=O)c2c[nH]nc2C)c(C(=O)[O-])c1 ZINC000320231711 444328824 /nfs/dbraw/zinc/32/88/24/444328824.db2.gz VGRKUXJHQMQLLM-UHFFFAOYSA-N -1 2 338.345 1.176 20 0 EDADLM COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1O ZINC000351748394 445306327 /nfs/dbraw/zinc/30/63/27/445306327.db2.gz NVYVMTCWDCVZKD-UHFFFAOYSA-N -1 2 326.330 1.238 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000362487114 445407131 /nfs/dbraw/zinc/40/71/31/445407131.db2.gz JNNAXSWZTQOVMP-UHFFFAOYSA-N -1 2 344.352 1.762 20 0 EDADLM COCC[N@@H+](C)CCOc1cccc(CNc2nc(C)ns2)c1 ZINC000356624737 445894348 /nfs/dbraw/zinc/89/43/48/445894348.db2.gz MFVQXWQSZGACNA-UHFFFAOYSA-N -1 2 336.461 1.838 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2nnc[nH]2)cc1 ZINC000373087992 446019277 /nfs/dbraw/zinc/01/92/77/446019277.db2.gz NWEPIQUFHJSLSY-UHFFFAOYSA-N -1 2 344.352 1.971 20 0 EDADLM Cc1nn2c([n-]nc2SCc2nc(=O)c3sccc3[nH]2)nc1=O ZINC000359320753 446148228 /nfs/dbraw/zinc/14/82/28/446148228.db2.gz ZJFHPYXECVJLEA-UHFFFAOYSA-N -1 2 347.385 1.124 20 0 EDADLM CCc1cc(=O)[nH]c(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)n1 ZINC000372749678 447265971 /nfs/dbraw/zinc/26/59/71/447265971.db2.gz VGJQBTYCXSFUNK-UHFFFAOYSA-N -1 2 348.447 1.206 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)CCCC(=O)[O-])=N1 ZINC000427754303 447643396 /nfs/dbraw/zinc/64/33/96/447643396.db2.gz BXHYFKBMNURHFM-UHFFFAOYSA-N -1 2 335.335 1.962 20 0 EDADLM CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cccc2[nH]nnc21 ZINC000551987838 447921189 /nfs/dbraw/zinc/92/11/89/447921189.db2.gz PXDRHTXTISXBTQ-BBRMVZONSA-N -1 2 340.387 1.995 20 0 EDADLM COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000609494499 450038711 /nfs/dbraw/zinc/03/87/11/450038711.db2.gz NUDSEHXMFCNWHT-UHFFFAOYSA-N -1 2 338.341 1.609 20 0 EDADLM C[C@H]1CN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC[C@H]1C(=O)[O-] ZINC000630561773 451245375 /nfs/dbraw/zinc/24/53/75/451245375.db2.gz RIALDYHQCYHFEX-DTWKUNHWSA-N -1 2 326.422 1.832 20 0 EDADLM O=c1[nH]n(CCC[NH+]2CCOCC2)c(=O)c2cc(F)c(F)cc12 ZINC000634616496 451422841 /nfs/dbraw/zinc/42/28/41/451422841.db2.gz OAHJPPVJKXNKNS-UHFFFAOYSA-N -1 2 325.315 1.103 20 0 EDADLM Cc1nn(C)c(C)c1-c1cc(=O)n(-c2ccc(CC(=O)[O-])cc2)[nH]1 ZINC000634632997 451426714 /nfs/dbraw/zinc/42/67/14/451426714.db2.gz GVYWSHCEGZULLN-UHFFFAOYSA-N -1 2 326.356 1.805 20 0 EDADLM CC[C@@H](C(=O)[O-])N(C)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000653341896 451854664 /nfs/dbraw/zinc/85/46/64/451854664.db2.gz OLHIMZGRUHJFJZ-NSHDSACASA-N -1 2 335.335 1.961 20 0 EDADLM CC[C@H](C(=O)N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000665826716 452401065 /nfs/dbraw/zinc/40/10/65/452401065.db2.gz USTQYEFSMYSANL-NEPJUHHUSA-N -1 2 340.790 1.538 20 0 EDADLM Cc1cn(C)nc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000663263721 453749501 /nfs/dbraw/zinc/74/95/01/453749501.db2.gz AFVCFWRJLFPONJ-UHFFFAOYSA-N -1 2 335.385 1.716 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)N(C)C(C)(C)C(=O)[O-])cc2[nH]c1=S ZINC000737295502 579067617 /nfs/dbraw/zinc/06/76/17/579067617.db2.gz ITUWUDQSCOTEGK-UHFFFAOYSA-N -1 2 349.412 1.640 20 0 EDADLM Cc1ccc2c([n-]cc(C(=O)N3CC[C@@H](NC(=O)[O-])[C@H](C)C3)c2=O)[nH+]1 ZINC000740153417 579294385 /nfs/dbraw/zinc/29/43/85/579294385.db2.gz KMWUSGXRUPGUQT-NOZJJQNGSA-N -1 2 344.371 1.762 20 0 EDADLM Cc1ccc2c(n1)[nH]cc(C(=O)N1CC[C@@H](NC(=O)[O-])[C@H](C)C1)c2=O ZINC000740153417 579294387 /nfs/dbraw/zinc/29/43/87/579294387.db2.gz KMWUSGXRUPGUQT-NOZJJQNGSA-N -1 2 344.371 1.762 20 0 EDADLM CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(O)cc(Cl)c1 ZINC000891620576 591153478 /nfs/dbraw/zinc/15/34/78/591153478.db2.gz FFYQIRKUUQWTOX-CYBMUJFWSA-N -1 2 332.853 1.949 20 0 EDADLM C[C@@H](CN(Cc1ccccc1)C(=O)[C@@H]1CCc2nn[nH]c2C1)C(=O)[O-] ZINC000908843807 592634587 /nfs/dbraw/zinc/63/45/87/592634587.db2.gz ZWDUQXFNEDPJBV-GXTWGEPZSA-N -1 2 342.399 1.659 20 0 EDADLM Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000819023507 593734265 /nfs/dbraw/zinc/73/42/65/593734265.db2.gz LUTKZBBSFLJOMZ-UHFFFAOYSA-N -1 2 343.792 1.810 20 0 EDADLM CC(C)[C@H](CNC(=O)C1=NN(c2ccccc2)CC1=O)NC(=O)[O-] ZINC000824122513 593934841 /nfs/dbraw/zinc/93/48/41/593934841.db2.gz GXIYBNRDBXUQGW-LBPRGKRZSA-N -1 2 332.360 1.600 20 0 EDADLM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000832289335 594740546 /nfs/dbraw/zinc/74/05/46/594740546.db2.gz YSSHZFJYJGUGAG-ONGXEEELSA-N -1 2 332.316 1.405 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)NC(=O)CC1CCSCC1 ZINC000833096755 594797451 /nfs/dbraw/zinc/79/74/51/594797451.db2.gz CCTNMGRQKJRDCU-UHFFFAOYSA-N -1 2 349.455 1.785 20 0 EDADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2cncc(F)c2)s1 ZINC000833232033 594810403 /nfs/dbraw/zinc/81/04/03/594810403.db2.gz IZUXWOOPJHHUMM-UHFFFAOYSA-N -1 2 346.365 1.280 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(C3CCOCC3)n[nH]2)c[nH]1 ZINC000833304010 594823321 /nfs/dbraw/zinc/82/33/21/594823321.db2.gz ITLHTVYOVYAJBT-UHFFFAOYSA-N -1 2 340.361 1.131 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)nc2)c(F)cc1F ZINC000833305821 594824285 /nfs/dbraw/zinc/82/42/85/594824285.db2.gz AZXVVIUJBVLBIG-UHFFFAOYSA-N -1 2 332.259 1.998 20 0 EDADLM C[C@H]1C[C@@H](C(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])CCO1 ZINC000833588010 594880967 /nfs/dbraw/zinc/88/09/67/594880967.db2.gz BMFVAVRZZYRGLF-YUMQZZPRSA-N -1 2 333.387 1.066 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n(C)n1 ZINC000833747149 594921040 /nfs/dbraw/zinc/92/10/40/594921040.db2.gz RYCXNULXRPFUEA-UHFFFAOYSA-N -1 2 346.368 1.776 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1C(=O)[O-] ZINC000123514381 596482203 /nfs/dbraw/zinc/48/22/03/596482203.db2.gz AWQSQQABGYIPCH-UHFFFAOYSA-N -1 2 329.359 1.354 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)cn1 ZINC000391769259 600676511 /nfs/dbraw/zinc/67/65/11/600676511.db2.gz CEYJONFYHLCGBZ-UHFFFAOYSA-N -1 2 348.340 1.424 20 0 EDADLM Cc1ccc2c(n1)[nH]cc(C(=O)N[C@@H]1CCCN(C(=O)[O-])C1)c2=O ZINC000738665292 603275119 /nfs/dbraw/zinc/27/51/19/603275119.db2.gz JZFWYHFUBLAGQG-SNVBAGLBSA-N -1 2 330.344 1.516 20 0 EDADLM Cc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c(N(C)C)[nH+]1 ZINC000152726897 695349228 /nfs/dbraw/zinc/34/92/28/695349228.db2.gz ZWGLFVIGNADQCW-UHFFFAOYSA-N -1 2 329.404 1.727 20 0 EDADLM C[C@H](NS(=O)(=O)c1cc(Cl)ccc1F)[C@H]1C[N@H+](C)CCN1C ZINC000919982065 697377577 /nfs/dbraw/zinc/37/75/77/697377577.db2.gz QWVAGGIMRJZIAN-GXFFZTMASA-N -1 2 349.859 1.392 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000275270556 540058839 /nfs/dbraw/zinc/05/88/39/540058839.db2.gz NBRVKYCBAMJYEM-HZGVNTEJSA-N -1 2 327.280 1.388 20 0 EDADLM Cc1nc(CCNS(=O)(=O)[C@@H](C)C(F)(F)F)sc1C(=O)[O-] ZINC000275191633 540058859 /nfs/dbraw/zinc/05/88/59/540058859.db2.gz FRJPNTJUAHEKAL-LURJTMIESA-N -1 2 346.352 1.562 20 0 EDADLM O=C([O-])Cn1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1 ZINC000038030483 213194274 /nfs/dbraw/zinc/19/42/74/213194274.db2.gz ZGIOJRHDYSQJOI-UHFFFAOYSA-N -1 2 333.728 1.561 20 0 EDADLM CCC(CC)(CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000424236390 252173749 /nfs/dbraw/zinc/17/37/49/252173749.db2.gz CPAAONZRZWMUFZ-UHFFFAOYSA-N -1 2 334.332 1.057 20 0 EDADLM O=S(=O)(NCC[NH2+]Cc1c(F)ccc(O)c1F)c1cccs1 ZINC000352692241 149118940 /nfs/dbraw/zinc/11/89/40/149118940.db2.gz FTUUCTUAZIWUEN-UHFFFAOYSA-N -1 2 348.396 1.800 20 0 EDADLM COC[C@@H](C)S(=O)(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000274934561 268243110 /nfs/dbraw/zinc/24/31/10/268243110.db2.gz CZDHLBSCBYJILN-MRVPVSSYSA-N -1 2 333.362 1.179 20 0 EDADLM CCOCCS(=O)(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000275006624 268262179 /nfs/dbraw/zinc/26/21/79/268262179.db2.gz MPROWKIYJFUDOW-UHFFFAOYSA-N -1 2 333.362 1.180 20 0 EDADLM Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000424239394 301097445 /nfs/dbraw/zinc/09/74/45/301097445.db2.gz CQMVKIZCYGSBOT-CPCISQLKSA-N -1 2 346.343 1.070 20 0 EDADLM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)CCOCCOC)c1 ZINC000436612478 305162082 /nfs/dbraw/zinc/16/20/82/305162082.db2.gz YKCZBZPISRFEOH-UHFFFAOYSA-N -1 2 331.390 1.390 20 0 EDADLM Cc1noc2ncc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3O)cc12 ZINC000436993996 305171412 /nfs/dbraw/zinc/17/14/12/305171412.db2.gz JTZQIUMGAXYWCZ-UHFFFAOYSA-N -1 2 349.324 1.736 20 0 EDADLM C[C@@H](CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O)Cn1cc[nH+]c1 ZINC000104766342 441205827 /nfs/dbraw/zinc/20/58/27/441205827.db2.gz MTJWGORDVFSSET-JTQLQIEISA-N -1 2 327.344 1.225 20 0 EDADLM C[C@H]1CCN(C(=O)c2c[nH]c3c(cnn3C)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000119347158 441929859 /nfs/dbraw/zinc/92/98/59/441929859.db2.gz AVESLNZLIWFJMN-FZMZJTMJSA-N -1 2 340.387 1.594 20 0 EDADLM Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192645183 442672152 /nfs/dbraw/zinc/67/21/52/442672152.db2.gz ARAALBNZTBIZEC-PIGZYNQJSA-N -1 2 348.378 1.135 20 0 EDADLM COCCn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC000268101007 442848547 /nfs/dbraw/zinc/84/85/47/442848547.db2.gz FIASYMOWADTCGW-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM O=C(c1s[n-]c(=O)c1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000565023728 321165123 /nfs/dbraw/zinc/16/51/23/321165123.db2.gz CXDKWWXVXWHGHZ-UHFFFAOYSA-N -1 2 329.769 1.346 20 0 EDADLM Cc1nn(C)cc1S(=O)(=O)Nc1c(C)ccc(F)c1C(=O)[O-] ZINC000571034273 321368530 /nfs/dbraw/zinc/36/85/30/321368530.db2.gz JVDXDNGKDLLAMB-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM Cc1c(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])cnn1C ZINC000313928551 444297931 /nfs/dbraw/zinc/29/79/31/444297931.db2.gz CHAYUTJDBYLRGU-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1 ZINC000340580816 444449078 /nfs/dbraw/zinc/44/90/78/444449078.db2.gz VULPYGPQGQKYCE-UHFFFAOYSA-N -1 2 349.290 1.856 20 0 EDADLM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cn1 ZINC000359827581 445448465 /nfs/dbraw/zinc/44/84/65/445448465.db2.gz DHERBZIBYFYQDT-UHFFFAOYSA-N -1 2 340.313 1.269 20 0 EDADLM COc1cc(S(=O)(=O)Nc2cncnc2)c(Cl)cc1C(=O)[O-] ZINC000362214767 446266668 /nfs/dbraw/zinc/26/66/68/446266668.db2.gz MBYHQDAOCBOMTR-UHFFFAOYSA-N -1 2 343.748 1.638 20 0 EDADLM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC(C)(C)c2nn[nH]n2)n1 ZINC000434352441 446637979 /nfs/dbraw/zinc/63/79/79/446637979.db2.gz GQHONRTZRMGUNQ-UHFFFAOYSA-N -1 2 345.338 1.204 20 0 EDADLM Cc1nocc1S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000631734805 450740954 /nfs/dbraw/zinc/74/09/54/450740954.db2.gz FTJCRETWNOTLBK-HNNXBMFYSA-N -1 2 335.429 1.926 20 0 EDADLM O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000633251315 450758166 /nfs/dbraw/zinc/75/81/66/450758166.db2.gz UZPBURYKEWCRHQ-CQSZACIVSA-N -1 2 338.835 1.911 20 0 EDADLM C[C@@H](NCc1cccc(O)c1Br)[C@@H]1C[N@@H+](C)CCO1 ZINC000656507349 453231761 /nfs/dbraw/zinc/23/17/61/453231761.db2.gz OXLXDKCGJNHNAD-MFKMUULPSA-N -1 2 329.238 1.963 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)c(C)c1 ZINC000788132601 579282880 /nfs/dbraw/zinc/28/28/80/579282880.db2.gz QOVDWNPJOYTQHV-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ncc(Br)cc3O)C2)n1 ZINC000894932255 591477248 /nfs/dbraw/zinc/47/72/48/591477248.db2.gz IWFWPDNEQLIGEE-VIFPVBQESA-N -1 2 338.209 1.966 20 0 EDADLM CO[C@@H]1CN(C(=O)c2cc(F)c(O)c(Cl)c2)[C@](C)(C(=O)[O-])C1 ZINC000910264068 592812708 /nfs/dbraw/zinc/81/27/08/592812708.db2.gz NHJICRQYUFQKLN-RTHLEPHNSA-N -1 2 331.727 1.889 20 0 EDADLM CCCS(=O)(=O)[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000810591190 593414723 /nfs/dbraw/zinc/41/47/23/593414723.db2.gz JJEWMKRABNUTGW-ZETCQYMHSA-N -1 2 348.343 1.298 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCCCCC(=O)[O-] ZINC000820607453 593843570 /nfs/dbraw/zinc/84/35/70/593843570.db2.gz CSHHRRPODAVCHR-UHFFFAOYSA-N -1 2 338.389 1.793 20 0 EDADLM C[C@H]1CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1n1cc[nH+]c1 ZINC000820716665 593869827 /nfs/dbraw/zinc/86/98/27/593869827.db2.gz KGEKANCUTVRIDJ-SWLSCSKDSA-N -1 2 337.387 1.787 20 0 EDADLM C[N@H+](Cc1cccc(O)c1)[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821614492 593881233 /nfs/dbraw/zinc/88/12/33/593881233.db2.gz IKCSZENQKFJHOP-HNNXBMFYSA-N -1 2 338.371 1.231 20 0 EDADLM C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccccc1 ZINC000826031650 594310843 /nfs/dbraw/zinc/31/08/43/594310843.db2.gz QTQHUYNXIASKDP-XRNSZHNASA-N -1 2 335.385 1.121 20 0 EDADLM CCC(=O)c1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000828580326 594456517 /nfs/dbraw/zinc/45/65/17/594456517.db2.gz HPHFETHQGIHCOR-UHFFFAOYSA-N -1 2 337.357 1.361 20 0 EDADLM CC[C@](NC(=O)C[C@@H]1SC(=N)NC1=O)(C(=O)[O-])c1ccccc1 ZINC000828926461 594531550 /nfs/dbraw/zinc/53/15/50/594531550.db2.gz WTBKUJOZBGJVDJ-ZUZCIYMTSA-N -1 2 335.385 1.049 20 0 EDADLM CCOCCO[N-]C(=O)C1=NN(c2ccc(F)cc2F)CC1=O ZINC000832385402 594746375 /nfs/dbraw/zinc/74/63/75/594746375.db2.gz AMDJLKSEIPAMNE-UHFFFAOYSA-N -1 2 327.287 1.554 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)cc1Cl ZINC000832956674 594787269 /nfs/dbraw/zinc/78/72/69/594787269.db2.gz QJTKZCAVIVDVSR-UHFFFAOYSA-N -1 2 330.753 1.125 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)c(Cl)c1 ZINC000832956522 594787326 /nfs/dbraw/zinc/78/73/26/594787326.db2.gz KSEPTAIAKFVZJO-UHFFFAOYSA-N -1 2 330.753 1.125 20 0 EDADLM Cc1cccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)c1C(=O)[O-] ZINC000832973003 594788207 /nfs/dbraw/zinc/78/82/07/594788207.db2.gz SPXMQACNSWFFNW-UHFFFAOYSA-N -1 2 332.341 1.765 20 0 EDADLM NC(=O)Nc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833085654 594796675 /nfs/dbraw/zinc/79/66/75/594796675.db2.gz QRKRSCXEGVGTOM-UHFFFAOYSA-N -1 2 342.358 1.133 20 0 EDADLM N=C1NC(=O)[C@@H](CC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)S1 ZINC000833087596 594796875 /nfs/dbraw/zinc/79/68/75/594796875.db2.gz AZPRFVLCIXQCPU-PSASIEDQSA-N -1 2 341.776 1.138 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnccc2-n2cccn2)c[nH]1 ZINC000833306291 594824025 /nfs/dbraw/zinc/82/40/25/594824025.db2.gz NLGHVJOJUPEWPA-UHFFFAOYSA-N -1 2 333.329 1.094 20 0 EDADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nnc(C3CC3)s2)c1 ZINC000833334504 594829216 /nfs/dbraw/zinc/82/92/16/594829216.db2.gz QQAXRDSGZVTWNG-UHFFFAOYSA-N -1 2 325.371 1.915 20 0 EDADLM O=C([O-])c1csc(S(=O)(=O)Nc2nnc(C3CC3)s2)c1 ZINC000833344275 594830639 /nfs/dbraw/zinc/83/06/39/594830639.db2.gz JLLLICIGTJEMDM-UHFFFAOYSA-N -1 2 331.400 1.976 20 0 EDADLM O=C([N-]OC[C@@H]1CCOC1)C1=NN(c2ccc(F)cc2F)CC1=O ZINC000834294489 595084214 /nfs/dbraw/zinc/08/42/14/595084214.db2.gz RIUVNAQMVWADGJ-SECBINFHSA-N -1 2 339.298 1.554 20 0 EDADLM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000846715703 595306188 /nfs/dbraw/zinc/30/61/88/595306188.db2.gz WQTOYQZTWGCOPM-LBPRGKRZSA-N -1 2 349.412 1.640 20 0 EDADLM O=C(c1ccccc1O)N1CC[NH+](C[C@H](O)CC2(O)CCCC2)CC1 ZINC000878252771 597590192 /nfs/dbraw/zinc/59/01/92/597590192.db2.gz UPKAHTAGNYRDHT-OAHLLOKOSA-N -1 2 348.443 1.206 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1C(=O)[O-] ZINC000387508747 600827142 /nfs/dbraw/zinc/82/71/42/600827142.db2.gz BVHVNNVHGBTGLX-UHFFFAOYSA-N -1 2 341.414 1.859 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000317819733 605006614 /nfs/dbraw/zinc/00/66/14/605006614.db2.gz JTXZLCURQLZGCF-UHFFFAOYSA-N -1 2 327.362 1.691 20 0 EDADLM C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NC(=O)c2ccccc2O)C1 ZINC000939499804 699637841 /nfs/dbraw/zinc/63/78/41/699637841.db2.gz CYHPFGMRDJAIRU-CHWSQXEVSA-N -1 2 342.399 1.325 20 0 EDADLM Cc1nc(C[NH+]2CCC(NC(=O)c3cccc4n[nH]nc43)CC2)co1 ZINC001002894503 709540030 /nfs/dbraw/zinc/54/00/30/709540030.db2.gz GOWFUMBCXRVMNI-UHFFFAOYSA-N -1 2 340.387 1.649 20 0 EDADLM Cc1nc(C[NH+]2CCC(NC(=O)c3cnc[nH]c3=O)CC2)oc1C ZINC001003117883 710007477 /nfs/dbraw/zinc/00/74/77/710007477.db2.gz ZSLSENKDZJXILW-UHFFFAOYSA-N -1 2 331.376 1.181 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cc(Cl)ccc2F)c1C(=O)[O-] ZINC000560007028 306260345 /nfs/dbraw/zinc/26/03/45/306260345.db2.gz FIZNDQKAQICNGP-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc1 ZINC000175024320 540096868 /nfs/dbraw/zinc/09/68/68/540096868.db2.gz LYSNVPLTZRLHPT-UHFFFAOYSA-N -1 2 335.385 1.721 20 0 EDADLM Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)C(=O)[O-])CC1 ZINC000262617220 139290399 /nfs/dbraw/zinc/29/03/99/139290399.db2.gz CZQXAMBFPFANRZ-INIZCTEOSA-N -1 2 347.459 1.434 20 0 EDADLM COc1cc(C(=O)[O-])ccc1CCNS(=O)(=O)CC(F)(F)F ZINC000572598967 306594316 /nfs/dbraw/zinc/59/43/16/306594316.db2.gz HVECNAAQWZTVIJ-UHFFFAOYSA-N -1 2 341.307 1.418 20 0 EDADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000360515502 152077532 /nfs/dbraw/zinc/07/75/32/152077532.db2.gz PKJAIHCSFBUARO-UHFFFAOYSA-N -1 2 325.346 1.242 20 0 EDADLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cnn(C)c1 ZINC000362126596 152621950 /nfs/dbraw/zinc/62/19/50/152621950.db2.gz UFHPJMRHCYJXQV-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM C[C@H](NC(=O)c1cccs1)C(=O)N1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000374096785 157141327 /nfs/dbraw/zinc/14/13/27/157141327.db2.gz ZOUKMDZLJJALRR-USBNGQNGSA-N -1 2 336.413 1.580 20 0 EDADLM O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)C2)o1 ZINC000295439724 303219723 /nfs/dbraw/zinc/21/97/23/303219723.db2.gz VLXDFMDKNOZOCO-JTQLQIEISA-N -1 2 343.339 1.555 20 0 EDADLM O=c1[nH]nc([C@H]2CCC[N@H+](Cc3cc(=O)oc4cc(O)ccc34)C2)o1 ZINC000295439724 303219724 /nfs/dbraw/zinc/21/97/24/303219724.db2.gz VLXDFMDKNOZOCO-JTQLQIEISA-N -1 2 343.339 1.555 20 0 EDADLM CCO[C@@H]1C[C@@](NS(=O)(=O)[C@H](C)C(F)(F)F)(C(=O)[O-])C1(C)C ZINC000548357490 306125264 /nfs/dbraw/zinc/12/52/64/306125264.db2.gz KKFXLGDROUEDFF-SOCHQFKDSA-N -1 2 347.355 1.515 20 0 EDADLM CC[NH+](CC)[C@H](C(=O)N(C)C[C@H](C)c1nn[nH]n1)c1ccccc1 ZINC000124558566 441935762 /nfs/dbraw/zinc/93/57/62/441935762.db2.gz JRBWOYBLYMMLNU-ZFWWWQNUSA-N -1 2 330.436 1.845 20 0 EDADLM COC(=O)Cn1ccc(NS(=O)(=O)c2cccc(Cl)c2[O-])n1 ZINC000339210129 445089952 /nfs/dbraw/zinc/08/99/52/445089952.db2.gz JFCHCAQMRGVEKY-UHFFFAOYSA-N -1 2 345.764 1.216 20 0 EDADLM COC(=O)Cn1ccc([N-]S(=O)(=O)c2cccc(Cl)c2O)n1 ZINC000339210129 445089955 /nfs/dbraw/zinc/08/99/55/445089955.db2.gz JFCHCAQMRGVEKY-UHFFFAOYSA-N -1 2 345.764 1.216 20 0 EDADLM Cc1oncc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000350315764 445811238 /nfs/dbraw/zinc/81/12/38/445811238.db2.gz VLKMHLSUYIUVAW-UHFFFAOYSA-N -1 2 326.330 1.556 20 0 EDADLM CNC(=O)N[C@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000459535868 447697766 /nfs/dbraw/zinc/69/77/66/447697766.db2.gz QITPEJIIRFVSRF-JTQLQIEISA-N -1 2 328.210 1.658 20 0 EDADLM COC(=O)c1cccc2[nH]c(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)nc21 ZINC000571926532 448237170 /nfs/dbraw/zinc/23/71/70/448237170.db2.gz USGAVBVXRXLTST-SNVBAGLBSA-N -1 2 339.355 1.747 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)c[nH]1 ZINC000589150085 448977702 /nfs/dbraw/zinc/97/77/02/448977702.db2.gz XRPAEIHZDNVGHV-UHFFFAOYSA-N -1 2 347.356 1.154 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1c(C)ccc(F)c1C(=O)[O-] ZINC000548205378 449005938 /nfs/dbraw/zinc/00/59/38/449005938.db2.gz VZASAZIDJXDSHN-UHFFFAOYSA-N -1 2 341.364 1.983 20 0 EDADLM CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]Cc3nc(C)c[nH]3)c2)n1 ZINC000600168808 449225166 /nfs/dbraw/zinc/22/51/66/449225166.db2.gz WIRCLBHDDNUTRC-UHFFFAOYSA-N -1 2 340.387 1.970 20 0 EDADLM Cc1noc(C)c1S(=O)(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000634795556 451554946 /nfs/dbraw/zinc/55/49/46/451554946.db2.gz CCMYAGQKEZADSK-UHFFFAOYSA-N -1 2 339.421 1.555 20 0 EDADLM COCc1csc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000737836363 578636693 /nfs/dbraw/zinc/63/66/93/578636693.db2.gz RNQJYIVRAQNFSM-UHFFFAOYSA-N -1 2 346.361 1.928 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)CCC(C)(C)NC(=O)[O-])c(C)s1 ZINC000740090760 579288906 /nfs/dbraw/zinc/28/89/06/579288906.db2.gz IDYALZLBDXBPIV-UHFFFAOYSA-N -1 2 348.446 1.996 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2[nH]c1=S ZINC000769511682 580238780 /nfs/dbraw/zinc/23/87/80/580238780.db2.gz MDACDSLOOFHYCG-JTQLQIEISA-N -1 2 347.396 1.252 20 0 EDADLM COc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1C ZINC000776427064 580416989 /nfs/dbraw/zinc/41/69/89/580416989.db2.gz NLKVNKGVWAQYBD-UHFFFAOYSA-N -1 2 339.373 1.545 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H](CC(=O)[O-])c1ccncc1 ZINC000899944793 591832796 /nfs/dbraw/zinc/83/27/96/591832796.db2.gz WJRZAGJEAHMUCG-SCZZXKLOSA-N -1 2 340.323 1.510 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)=N1 ZINC000909810897 592846090 /nfs/dbraw/zinc/84/60/90/592846090.db2.gz SMYUXFPBXDVTFX-CMPLNLGQSA-N -1 2 347.346 1.961 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cnc1Cl ZINC000738251920 593111984 /nfs/dbraw/zinc/11/19/84/593111984.db2.gz PYHZYTDEMIWUFC-UHFFFAOYSA-N -1 2 347.805 1.928 20 0 EDADLM C[N@@H+](CCc1ccccn1)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000821604850 593877815 /nfs/dbraw/zinc/87/78/15/593877815.db2.gz JUJYKSDIGFVGSZ-UHFFFAOYSA-N -1 2 343.416 1.436 20 0 EDADLM CC(=O)c1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000825960557 594291912 /nfs/dbraw/zinc/29/19/12/594291912.db2.gz LHESVZCZRQWBMH-UHFFFAOYSA-N -1 2 326.355 1.845 20 0 EDADLM C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](C2CC2)CC1=O ZINC000825975856 594295391 /nfs/dbraw/zinc/29/53/91/594295391.db2.gz ADKOFOWXRDYODF-OAHLLOKOSA-N -1 2 326.404 1.515 20 0 EDADLM C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](C2CC2)CC1=O ZINC000825975856 594295394 /nfs/dbraw/zinc/29/53/94/594295394.db2.gz ADKOFOWXRDYODF-OAHLLOKOSA-N -1 2 326.404 1.515 20 0 EDADLM O=C([O-])N1CCCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC1 ZINC000832015576 594719540 /nfs/dbraw/zinc/71/95/40/594719540.db2.gz RIGFKABHBPPOPY-UHFFFAOYSA-N -1 2 348.334 1.543 20 0 EDADLM O=C([O-])Cn1cnc(NS(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000833277001 594819302 /nfs/dbraw/zinc/81/93/02/594819302.db2.gz VYBZFJJYFOKWJM-UHFFFAOYSA-N -1 2 336.373 1.042 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)s1 ZINC000833324174 594827284 /nfs/dbraw/zinc/82/72/84/594827284.db2.gz JUAQPCAQFLCXCJ-UHFFFAOYSA-N -1 2 331.400 1.976 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000833345645 594831073 /nfs/dbraw/zinc/83/10/73/594831073.db2.gz GBRGAGMBHCOBSI-UHFFFAOYSA-N -1 2 331.400 1.976 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(OCCO)cc1 ZINC000833346776 594831646 /nfs/dbraw/zinc/83/16/46/594831646.db2.gz VMSQEYCZWMYTRX-UHFFFAOYSA-N -1 2 344.370 1.013 20 0 EDADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000833359874 594833753 /nfs/dbraw/zinc/83/37/53/594833753.db2.gz AJDRUZPPYTVUBI-UHFFFAOYSA-N -1 2 339.354 1.137 20 0 EDADLM COC(=O)c1cncc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000833716944 594914431 /nfs/dbraw/zinc/91/44/31/594914431.db2.gz DMPRSKFEEYUARK-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM C[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757141 595528870 /nfs/dbraw/zinc/52/88/70/595528870.db2.gz LYARMDNNLHUWBF-WOPDTQHZSA-N -1 2 348.365 1.861 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC000871772575 596693034 /nfs/dbraw/zinc/69/30/34/596693034.db2.gz QCNAEDSYRYUIKH-FSPLSTOPSA-N -1 2 332.325 1.009 20 0 EDADLM CC(C)Oc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000319671556 600673249 /nfs/dbraw/zinc/67/32/49/600673249.db2.gz SKCXHQUKHIRTFM-UHFFFAOYSA-N -1 2 339.373 1.556 20 0 EDADLM Cn1ccc(C(=O)NCC2C[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)C2)c1 ZINC001031612946 697327519 /nfs/dbraw/zinc/32/75/19/697327519.db2.gz ABFUIXQIEGIDIB-UHFFFAOYSA-N -1 2 341.415 1.260 20 0 EDADLM Cc1cc(C)c(S(=O)(=O)Nc2ccn(C)n2)c(C)c1CC(=O)[O-] ZINC000181209189 234119468 /nfs/dbraw/zinc/11/94/68/234119468.db2.gz VREMQYNRQJZUQU-UHFFFAOYSA-N -1 2 337.401 1.773 20 0 EDADLM Cc1c(NS(=O)(=O)c2c(Cl)cnn2C)cccc1C(=O)[O-] ZINC000227864569 139022682 /nfs/dbraw/zinc/02/26/82/139022682.db2.gz JYMXAKUHAMEKDU-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccn(CC(F)F)n2)c1 ZINC000362030408 162307800 /nfs/dbraw/zinc/30/78/00/162307800.db2.gz WIJJLPYFYIMAGO-UHFFFAOYSA-N -1 2 331.300 1.647 20 0 EDADLM Cn1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c(C2CC2)n1 ZINC000291198744 289016848 /nfs/dbraw/zinc/01/68/48/289016848.db2.gz UOJBEHDUNQBEKF-UHFFFAOYSA-N -1 2 335.385 1.725 20 0 EDADLM CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](c2nn[nH]n2)C1)c1ccccc1 ZINC000155484937 442401668 /nfs/dbraw/zinc/40/16/68/442401668.db2.gz POFNNRWVSJUBRI-HZPDHXFCSA-N -1 2 342.447 1.989 20 0 EDADLM Cc1cccc(C[C@H](CO)NC(=O)c2c[nH]c3c(cnn3C)c2=O)c1 ZINC000191256501 443266880 /nfs/dbraw/zinc/26/68/80/443266880.db2.gz QWCLYUHNGSYDJF-CYBMUJFWSA-N -1 2 340.383 1.316 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2ccc(C)cc2C(=O)[O-])cn1 ZINC000269634537 443372717 /nfs/dbraw/zinc/37/27/17/443372717.db2.gz QCYJTMWXSIACSW-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)cn1 ZINC000269631550 443371843 /nfs/dbraw/zinc/37/18/43/443371843.db2.gz PIXVTQBBPARURB-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM C[N@@H+](Cc1ncccn1)[C@H]1CCN(C(=O)c2c(O)cccc2O)C1 ZINC000275721877 443639611 /nfs/dbraw/zinc/63/96/11/443639611.db2.gz OVEZUPLBTLAIQQ-LBPRGKRZSA-N -1 2 328.372 1.234 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2ccn(C(C)C)n2)cc1C(=O)[O-] ZINC000281310328 443876352 /nfs/dbraw/zinc/87/63/52/443876352.db2.gz ZDSDWNQHDJFHJZ-UHFFFAOYSA-N -1 2 339.373 1.972 20 0 EDADLM O=c1cc(CN2CC[NH+](Cc3ccncc3)CC2)nc(C2CC2)[nH]1 ZINC000568723116 321303635 /nfs/dbraw/zinc/30/36/35/321303635.db2.gz HAKXZGOSFDPSQC-UHFFFAOYSA-N -1 2 325.416 1.772 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000343834067 444617360 /nfs/dbraw/zinc/61/73/60/444617360.db2.gz LFPRWWCYFYLRKD-UHFFFAOYSA-N -1 2 348.340 1.872 20 0 EDADLM O=C([O-])Cc1cccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000357146399 445453641 /nfs/dbraw/zinc/45/36/41/445453641.db2.gz JZQKXHCHZRBRDV-UHFFFAOYSA-N -1 2 332.341 1.386 20 0 EDADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000361966620 446114252 /nfs/dbraw/zinc/11/42/52/446114252.db2.gz NHYBYOWVRXJMEQ-UHFFFAOYSA-N -1 2 341.776 1.982 20 0 EDADLM Cc1cc(CC(=O)N[C@@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)n[nH]1 ZINC000368501554 446901463 /nfs/dbraw/zinc/90/14/63/446901463.db2.gz IPZLNTTUKRMVBN-CYBMUJFWSA-N -1 2 349.757 1.472 20 0 EDADLM Cc1cc(CC(=O)N[C@@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)[nH]n1 ZINC000368501554 446901470 /nfs/dbraw/zinc/90/14/70/446901470.db2.gz IPZLNTTUKRMVBN-CYBMUJFWSA-N -1 2 349.757 1.472 20 0 EDADLM O=C([O-])c1csc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1 ZINC000608343597 449812740 /nfs/dbraw/zinc/81/27/40/449812740.db2.gz OKTXGEDAHCGRKK-UHFFFAOYSA-N -1 2 327.387 1.854 20 0 EDADLM CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1Cl ZINC000625076697 451148593 /nfs/dbraw/zinc/14/85/93/451148593.db2.gz BUJGVPNPXKQGRO-GFCCVEGCSA-N -1 2 332.853 1.949 20 0 EDADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000629296586 451649030 /nfs/dbraw/zinc/64/90/30/451649030.db2.gz OOJCQLBJWFTYBD-SNVBAGLBSA-N -1 2 329.374 1.703 20 0 EDADLM Cc1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000653320440 451840758 /nfs/dbraw/zinc/84/07/58/451840758.db2.gz NEJJNBSGHZAMFS-SECBINFHSA-N -1 2 346.343 1.214 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1C(=O)[O-] ZINC000678310149 487287079 /nfs/dbraw/zinc/28/70/79/487287079.db2.gz DTARMBZFQLFIJO-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1c(O)cccc1F ZINC000685742886 487317374 /nfs/dbraw/zinc/31/73/74/487317374.db2.gz GGXRQRBZQIHYJU-ZDUSSCGKSA-N -1 2 348.378 1.967 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1c(C)n[nH]c1C ZINC000339413498 536540276 /nfs/dbraw/zinc/54/02/76/536540276.db2.gz PAKDOWUYBNPEIF-UHFFFAOYSA-N -1 2 343.336 1.673 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2CC3CC2(C(=O)[O-])C3)=N1 ZINC000909949196 592729664 /nfs/dbraw/zinc/72/96/64/592729664.db2.gz WEAFGOSMTDNTFU-UHFFFAOYSA-N -1 2 341.367 1.830 20 0 EDADLM C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1c(O)cnc2c(F)cccc21 ZINC000910931633 592902047 /nfs/dbraw/zinc/90/20/47/592902047.db2.gz PKICCDFSAWBEGM-VXGBXAGGSA-N -1 2 347.390 1.607 20 0 EDADLM Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C2CC2)n1 ZINC000812272914 593493549 /nfs/dbraw/zinc/49/35/49/593493549.db2.gz SMNIDYDCDWQDLE-UHFFFAOYSA-N -1 2 339.348 1.936 20 0 EDADLM CC(C)Cn1cnc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000824323571 593985472 /nfs/dbraw/zinc/98/54/72/593985472.db2.gz GFHBBYYJRUCMLZ-UHFFFAOYSA-N -1 2 339.377 1.825 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)c(C)s1 ZINC000830132810 594341605 /nfs/dbraw/zinc/34/16/05/594341605.db2.gz KUFIILMBXQAXLN-UWVGGRQHSA-N -1 2 346.430 1.606 20 0 EDADLM O=C([O-])NC[C@@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000832588912 594761714 /nfs/dbraw/zinc/76/17/14/594761714.db2.gz HJNGQUZDFRTMIU-JTQLQIEISA-N -1 2 348.334 1.447 20 0 EDADLM Cc1ccc(CO)cc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832933801 594785843 /nfs/dbraw/zinc/78/58/43/594785843.db2.gz HEIWJMFHYSBMJA-UHFFFAOYSA-N -1 2 328.371 1.443 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2ccnn2C2CCCC2)cc1C(=O)[O-] ZINC000833055987 594794830 /nfs/dbraw/zinc/79/48/30/594794830.db2.gz QKOMVYQDWYKLEM-UHFFFAOYSA-N -1 2 338.389 1.836 20 0 EDADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000833293732 594821458 /nfs/dbraw/zinc/82/14/58/594821458.db2.gz GPCVFUBSIOZOAL-UHFFFAOYSA-N -1 2 349.290 1.786 20 0 EDADLM CN(C)c1ccc([NH+]2CCC(NC(=O)c3cc(=O)[nH]cn3)CC2)cc1 ZINC000859621156 596148798 /nfs/dbraw/zinc/14/87/98/596148798.db2.gz PKRWROFLKKDJIK-UHFFFAOYSA-N -1 2 341.415 1.647 20 0 EDADLM O=S1(=O)[N-]C(C[NH2+][C@@H]2CCC[C@]23CCCO3)=Nc2ccccc21 ZINC000880507428 597951175 /nfs/dbraw/zinc/95/11/75/597951175.db2.gz WBAYFIMYGAXNDE-ZBFHGGJFSA-N -1 2 335.429 1.700 20 0 EDADLM Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2[nH]c1=S ZINC000918396124 697160450 /nfs/dbraw/zinc/16/04/50/697160450.db2.gz YQKGHOCRLPKBIU-LLVKDONJSA-N -1 2 332.429 1.046 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc(F)cc2O)cc1C(=O)[O-] ZINC000348907647 539385698 /nfs/dbraw/zinc/38/56/98/539385698.db2.gz LXIHDMHHDIEWRW-UHFFFAOYSA-N -1 2 328.321 1.852 20 0 EDADLM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000275078370 540057951 /nfs/dbraw/zinc/05/79/51/540057951.db2.gz MSNVJSJZGBENFD-VXNVDRBHSA-N -1 2 343.327 1.033 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H](Cc1cccnc1)C(=O)[O-] ZINC000275326443 540058579 /nfs/dbraw/zinc/05/85/79/540058579.db2.gz SYZYYYFBCXNBSX-SCZZXKLOSA-N -1 2 340.323 1.195 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2c(C)nn(C)c2C)sc1C(=O)[O-] ZINC000037239015 213135896 /nfs/dbraw/zinc/13/58/96/213135896.db2.gz ZEUJFDCRULSAMD-UHFFFAOYSA-N -1 2 329.403 1.906 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c[nH]1 ZINC000160243847 225370241 /nfs/dbraw/zinc/37/02/41/225370241.db2.gz VLVJFLMQSJSDKH-UHFFFAOYSA-N -1 2 338.267 1.273 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(F)c(C)cc1C(=O)[O-] ZINC000274927302 268241155 /nfs/dbraw/zinc/24/11/55/268241155.db2.gz BVTVGANCMDLXLD-UHFFFAOYSA-N -1 2 341.364 1.983 20 0 EDADLM Cc1cccc(Cn2[nH]cc/c2=N/C(=O)C[N@H+](C)[C@@H](C)C(C)(C)O)c1 ZINC000295212066 303189446 /nfs/dbraw/zinc/18/94/46/303189446.db2.gz URACIVMIQJOHHX-MUNYZGMTSA-N -1 2 344.459 1.691 20 0 EDADLM C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000295223474 303191069 /nfs/dbraw/zinc/19/10/69/303191069.db2.gz RMHCBXAWJJHKMG-UHFFFAOYSA-N -1 2 334.445 1.734 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(F)cc2O)c1 ZINC000436528079 305159692 /nfs/dbraw/zinc/15/96/92/305159692.db2.gz VWSGZPUAHOBGOT-UHFFFAOYSA-N -1 2 327.289 1.736 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cn1 ZINC000436784016 305167007 /nfs/dbraw/zinc/16/70/07/305167007.db2.gz JOJMWKJCPYSFOX-UHFFFAOYSA-N -1 2 338.341 1.603 20 0 EDADLM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000537731298 306029033 /nfs/dbraw/zinc/02/90/33/306029033.db2.gz QEROZHICCKKAAG-UHFFFAOYSA-N -1 2 342.277 1.653 20 0 EDADLM O=C(NCc1n[nH]c(=O)[nH]1)c1cc(Cl)cc(Br)c1[O-] ZINC000084407706 441398913 /nfs/dbraw/zinc/39/89/13/441398913.db2.gz WXTVFYRLAKZURN-UHFFFAOYSA-N -1 2 347.556 1.150 20 0 EDADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c1C ZINC000266802754 443248032 /nfs/dbraw/zinc/24/80/32/443248032.db2.gz SJJKQDRORZLFQJ-UHFFFAOYSA-N -1 2 339.373 1.724 20 0 EDADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(OC)n(C)n1 ZINC000324019447 444349232 /nfs/dbraw/zinc/34/92/32/444349232.db2.gz NJEVSIJWNNUVPS-UHFFFAOYSA-N -1 2 339.373 1.490 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cccn2)nc1 ZINC000325041483 444361280 /nfs/dbraw/zinc/36/12/80/444361280.db2.gz PROBXIACSNMMPC-UHFFFAOYSA-N -1 2 348.340 1.668 20 0 EDADLM C[C@@H]1CCN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)C[C@H]1C(=O)[O-] ZINC000578988091 321865016 /nfs/dbraw/zinc/86/50/16/321865016.db2.gz IRZZOMNBTDCHEH-RKDXNWHRSA-N -1 2 326.422 1.832 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1-c1ccccc1 ZINC000341001149 444623923 /nfs/dbraw/zinc/62/39/23/444623923.db2.gz YNBADLKTBACFBV-UHFFFAOYSA-N -1 2 346.368 1.914 20 0 EDADLM O=C([O-])c1ccn(-c2ccccc2NS(=O)(=O)c2cn[nH]c2)n1 ZINC000353940226 445819238 /nfs/dbraw/zinc/81/92/38/445819238.db2.gz IAUQAQBIWHBTBU-UHFFFAOYSA-N -1 2 333.329 1.094 20 0 EDADLM COc1cc(S(=O)(=O)Nc2cnoc2)cc(C(=O)[O-])c1OC ZINC000385883177 447468766 /nfs/dbraw/zinc/46/87/66/447468766.db2.gz MIPGEABUCGLLGE-UHFFFAOYSA-N -1 2 328.302 1.191 20 0 EDADLM COCC[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@@H](C)C(N)=O ZINC000459342763 447640975 /nfs/dbraw/zinc/64/09/75/447640975.db2.gz HDWLLFFXMDRTQN-LBPRGKRZSA-N -1 2 330.388 1.171 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)c[nH]c2n1 ZINC000584351015 448494123 /nfs/dbraw/zinc/49/41/23/448494123.db2.gz MMAROPJQJKJROA-BBATYDOGSA-N -1 2 341.367 1.971 20 0 EDADLM COC(=O)c1oc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C ZINC000595317108 450030555 /nfs/dbraw/zinc/03/05/55/450030555.db2.gz CPHIMEIWXVSJNC-MNOVXSKESA-N -1 2 342.417 1.278 20 0 EDADLM Cc1cc(NC(=O)c2n[nH]c(=O)[n-]c2=O)cnc1N1CCCC[C@H]1C ZINC000679646438 487452739 /nfs/dbraw/zinc/45/27/39/487452739.db2.gz OYSLDKWFHSDFCB-SNVBAGLBSA-N -1 2 344.375 1.617 20 0 EDADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnoc1 ZINC000737719210 578654704 /nfs/dbraw/zinc/65/47/04/578654704.db2.gz WQVXQSBODJUKAW-UHFFFAOYSA-N -1 2 332.315 1.022 20 0 EDADLM CCc1c[nH+]ccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[nH]n1 ZINC000736701551 579013489 /nfs/dbraw/zinc/01/34/89/579013489.db2.gz DIIRSOPZVDTSKS-LLVKDONJSA-N -1 2 338.371 1.652 20 0 EDADLM C[N@@H+](CCC(=O)Nc1sccc1-c1nn[nH]n1)Cc1ccon1 ZINC000736793349 579021118 /nfs/dbraw/zinc/02/11/18/579021118.db2.gz WJRBSASUQGVGBA-UHFFFAOYSA-N -1 2 333.377 1.377 20 0 EDADLM Cc1[nH]c(C(O)=CS(=O)(=O)Cc2cscn2)c(C)c1C(=O)[O-] ZINC000738154787 579165813 /nfs/dbraw/zinc/16/58/13/579165813.db2.gz MBIXLUZYMZEAFP-UHFFFAOYSA-N -1 2 342.398 1.584 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)NC[C@H]3CCCN3C(=O)[O-])c[nH]c2n1 ZINC000740152876 579294241 /nfs/dbraw/zinc/29/42/41/579294241.db2.gz GJYFRWHQWLUCIG-SNVBAGLBSA-N -1 2 330.344 1.516 20 0 EDADLM Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ncc(Br)cc3O)C2)n1 ZINC000894932254 591477091 /nfs/dbraw/zinc/47/70/91/591477091.db2.gz IWFWPDNEQLIGEE-SECBINFHSA-N -1 2 338.209 1.966 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N(CC(=O)[O-])C(C)C)=N2)cc1 ZINC000820805006 593894578 /nfs/dbraw/zinc/89/45/78/593894578.db2.gz HLEAIKPQPYEFQA-UHFFFAOYSA-N -1 2 333.344 1.522 20 0 EDADLM Cc1nn(-c2ccccc2)c(C[NH+]2CCOCC2)c1-c1nn[nH]n1 ZINC000822486357 594056206 /nfs/dbraw/zinc/05/62/06/594056206.db2.gz HKMDJFGYWAHZGY-UHFFFAOYSA-N -1 2 325.376 1.193 20 0 EDADLM C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824771110 594071914 /nfs/dbraw/zinc/07/19/14/594071914.db2.gz OUJWMMJNFRLBSK-SNVBAGLBSA-N -1 2 343.416 1.955 20 0 EDADLM C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824771110 594071916 /nfs/dbraw/zinc/07/19/16/594071916.db2.gz OUJWMMJNFRLBSK-SNVBAGLBSA-N -1 2 343.416 1.955 20 0 EDADLM O=C(C[N@H+]1C[C@@H]2CCC[C@H]21)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822993442 594133141 /nfs/dbraw/zinc/13/31/41/594133141.db2.gz TVSUJNGXXXUIPK-TVQRCGJNSA-N -1 2 332.795 1.943 20 0 EDADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)c1C ZINC000827717589 594264415 /nfs/dbraw/zinc/26/44/15/594264415.db2.gz NWYIEDPAIPGEJL-UHFFFAOYSA-N -1 2 339.377 1.806 20 0 EDADLM CC(=O)c1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000825957662 594291396 /nfs/dbraw/zinc/29/13/96/594291396.db2.gz XWNWZXJRHAEIIC-UHFFFAOYSA-N -1 2 326.355 1.845 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)N(CC(=O)[O-])C3CC3)cc2[nH]c1=S ZINC000830412560 594391594 /nfs/dbraw/zinc/39/15/94/594391594.db2.gz WSJAZNUHVREJQT-UHFFFAOYSA-N -1 2 347.396 1.394 20 0 EDADLM CC(C)c1ccc(N2CC(=O)C(C(=O)NC3CN(C(=O)[O-])C3)=N2)cc1 ZINC000827112473 594642759 /nfs/dbraw/zinc/64/27/59/594642759.db2.gz JNICHAVXBGSNTF-UHFFFAOYSA-N -1 2 344.371 1.793 20 0 EDADLM CCCn1cc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cn1 ZINC000829585306 594645488 /nfs/dbraw/zinc/64/54/88/594645488.db2.gz NIZLQTPTHJYBFZ-UHFFFAOYSA-N -1 2 344.780 1.841 20 0 EDADLM COCc1csc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC000831826874 594705676 /nfs/dbraw/zinc/70/56/76/594705676.db2.gz JOWMDPIXHISVBR-UHFFFAOYSA-N -1 2 346.361 1.928 20 0 EDADLM O=C([O-])NC1CCC(NC(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000832318275 594742585 /nfs/dbraw/zinc/74/25/85/594742585.db2.gz LCJIBJLMEHVBAU-UHFFFAOYSA-N -1 2 344.371 1.887 20 0 EDADLM O=C([O-])Cn1cnc(NS(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000833277068 594819530 /nfs/dbraw/zinc/81/95/30/594819530.db2.gz IGBDBIHQGMTJDI-UHFFFAOYSA-N -1 2 334.357 1.092 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000833345796 594831023 /nfs/dbraw/zinc/83/10/23/594831023.db2.gz GHFSSILWUCPEHG-UHFFFAOYSA-N -1 2 342.354 1.413 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)C2(C(=O)[O-])CC=CC2)c(C)s1 ZINC000863954074 596727808 /nfs/dbraw/zinc/72/78/08/596727808.db2.gz KSOHGODMEGBNIY-UHFFFAOYSA-N -1 2 329.399 1.591 20 0 EDADLM Cn1cc(S(=O)(=O)NC(=O)[C@H](C(=O)[O-])C2CC2)c2ccccc21 ZINC000863957665 596730300 /nfs/dbraw/zinc/73/03/00/596730300.db2.gz RXCWCSGXWJIFPB-CYBMUJFWSA-N -1 2 336.369 1.094 20 0 EDADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncc(C(N)=O)s1 ZINC000738546350 600054974 /nfs/dbraw/zinc/05/49/74/600054974.db2.gz VILWZAGEZSVCJL-UHFFFAOYSA-N -1 2 341.370 1.049 20 0 EDADLM CCn1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3O)[C@H](C)C2)nn1 ZINC000941837117 701902295 /nfs/dbraw/zinc/90/22/95/701902295.db2.gz PKNIZUJSAYGKBA-CJNGLKHVSA-N -1 2 343.431 1.644 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)cc1C(=O)[O-] ZINC000348886783 539385362 /nfs/dbraw/zinc/38/53/62/539385362.db2.gz MDECMAPZXWNURC-UHFFFAOYSA-N -1 2 335.345 1.278 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc1C(=O)[O-] ZINC000348886783 539385368 /nfs/dbraw/zinc/38/53/68/539385368.db2.gz MDECMAPZXWNURC-UHFFFAOYSA-N -1 2 335.345 1.278 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)cc1C(=O)[O-] ZINC000348886783 539385371 /nfs/dbraw/zinc/38/53/71/539385371.db2.gz MDECMAPZXWNURC-UHFFFAOYSA-N -1 2 335.345 1.278 20 0 EDADLM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@@H](C(=O)[O-])C2)s[nH]1 ZINC000417803949 251276751 /nfs/dbraw/zinc/27/67/51/251276751.db2.gz YCTQQSNBXXSWDE-MRVPVSSYSA-N -1 2 338.414 1.935 20 0 EDADLM O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)c(F)c(O)c1F ZINC000363823410 153067010 /nfs/dbraw/zinc/06/70/10/153067010.db2.gz KEDCASIZZKWKHM-IUCAKERBSA-N -1 2 330.306 1.403 20 0 EDADLM COc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)c(C(=O)[O-])c1 ZINC000274736870 268194278 /nfs/dbraw/zinc/19/42/78/268194278.db2.gz KFXRPKRQTJHCJG-UHFFFAOYSA-N -1 2 339.373 1.545 20 0 EDADLM Cn1nc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C1CC1 ZINC000290606722 288923865 /nfs/dbraw/zinc/92/38/65/288923865.db2.gz ZSHITQOKGSUSFO-UHFFFAOYSA-N -1 2 339.348 1.936 20 0 EDADLM COCCOc1ncccc1CNC(=O)c1cccc2[nH]nnc21 ZINC000541892091 306049003 /nfs/dbraw/zinc/04/90/03/306049003.db2.gz FTSOUFGYYAIQNK-UHFFFAOYSA-N -1 2 327.344 1.308 20 0 EDADLM COc1c(C)cc(C)cc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000554661728 306196696 /nfs/dbraw/zinc/19/66/96/306196696.db2.gz YMKIRKDHIZXNPC-UHFFFAOYSA-N -1 2 339.373 1.545 20 0 EDADLM Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000063878168 441359992 /nfs/dbraw/zinc/35/99/92/441359992.db2.gz CILRZRPRASPLBU-UHFFFAOYSA-N -1 2 340.382 1.654 20 0 EDADLM O=C(c1cccc2nn[nH]c21)N1CC[NH+](CCc2ccccc2)CC1 ZINC000182687590 442807317 /nfs/dbraw/zinc/80/73/17/442807317.db2.gz BOLNJRXXDFGLCN-UHFFFAOYSA-N -1 2 335.411 1.958 20 0 EDADLM COc1ccccc1[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000548531319 320884251 /nfs/dbraw/zinc/88/42/51/320884251.db2.gz ZFCCCPFCHPMYSS-XCBNKYQSSA-N -1 2 341.307 1.691 20 0 EDADLM CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000339202714 445086693 /nfs/dbraw/zinc/08/66/93/445086693.db2.gz KHJOTXOEIIYBTA-UHFFFAOYSA-N -1 2 341.370 1.601 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1C(=O)[O-] ZINC000353943049 445821131 /nfs/dbraw/zinc/82/11/31/445821131.db2.gz UGGMNDYJKAGJCH-UHFFFAOYSA-N -1 2 330.749 1.883 20 0 EDADLM Cc1nnc([C@H]2CCN(C(=O)c3c[n-]c4[nH+]c(C)ccc4c3=O)C2)[nH]1 ZINC000583130436 326006780 /nfs/dbraw/zinc/00/67/80/326006780.db2.gz ORNBDBVCHXNEBS-NSHDSACASA-N -1 2 338.371 1.700 20 0 EDADLM Cc1ccc(CO)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433527596 446586046 /nfs/dbraw/zinc/58/60/46/446586046.db2.gz GGRXDLZVIPBMAS-UHFFFAOYSA-N -1 2 337.353 1.692 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccn2)c1 ZINC000530807697 447960495 /nfs/dbraw/zinc/96/04/95/447960495.db2.gz QIJGKTSHOMIYOH-UHFFFAOYSA-N -1 2 348.340 1.668 20 0 EDADLM COc1ccc2c(c1)[nH]cc(C(=O)N1CC[C@](C)(C(=O)[O-])C1)c2=O ZINC000567862868 448776764 /nfs/dbraw/zinc/77/67/64/448776764.db2.gz YXXCQVORCWYRSF-KRWDZBQOSA-N -1 2 330.340 1.474 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000548532987 449057538 /nfs/dbraw/zinc/05/75/38/449057538.db2.gz WRJMIJCKKNTVJX-DTWKUNHWSA-N -1 2 340.323 1.195 20 0 EDADLM C[C@](CNC(=O)N=c1nc2n([nH]1)CCCC2)(C(=O)[O-])c1ccccc1 ZINC000649544542 452136853 /nfs/dbraw/zinc/13/68/53/452136853.db2.gz YMNCNFONZOFCKQ-QGZVFWFLSA-N -1 2 343.387 1.200 20 0 EDADLM C[C@H](NCc1cccc(O)c1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000656507348 453231488 /nfs/dbraw/zinc/23/14/88/453231488.db2.gz OXLXDKCGJNHNAD-GXFFZTMASA-N -1 2 329.238 1.963 20 0 EDADLM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)c(F)c1O)[C@H]1CCOC1 ZINC000656632440 453342512 /nfs/dbraw/zinc/34/25/12/453342512.db2.gz WDSIPRZNRRUEPL-GZMMTYOYSA-N -1 2 337.344 1.464 20 0 EDADLM O=C([O-])Nc1ccc(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cn1 ZINC000740712155 579380322 /nfs/dbraw/zinc/38/03/22/579380322.db2.gz VOEXMPSDJODGCC-UHFFFAOYSA-N -1 2 342.271 1.173 20 0 EDADLM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])s1 ZINC000737701380 578505945 /nfs/dbraw/zinc/50/59/45/578505945.db2.gz FNJHSOPNLDZNTP-UHFFFAOYSA-N -1 2 344.370 1.670 20 0 EDADLM O=C1NC(=O)N2CC[N@H+](Cc3ccccc3OCC(F)F)C[C@@H]12 ZINC000894423330 591308143 /nfs/dbraw/zinc/30/81/43/591308143.db2.gz OMWBBFBUOVUNDH-NSHDSACASA-N -1 2 325.315 1.067 20 0 EDADLM C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)cn2C)C[C@@H]1n1cc[nH+]c1 ZINC000820716901 593869876 /nfs/dbraw/zinc/86/98/76/593869876.db2.gz MGZGZINPBRANQN-RISCZKNCSA-N -1 2 340.391 1.125 20 0 EDADLM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000824204176 593955669 /nfs/dbraw/zinc/95/56/69/593955669.db2.gz OQVWPWUJEWSZKH-GFCCVEGCSA-N -1 2 348.359 1.442 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)NCC(C)(C)C(=O)[O-])cc2[nH]c1=S ZINC000830411227 594391218 /nfs/dbraw/zinc/39/12/18/594391218.db2.gz DESGXAYUBYCYLJ-UHFFFAOYSA-N -1 2 349.412 1.546 20 0 EDADLM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2cnoc2C)c1 ZINC000831371192 594617166 /nfs/dbraw/zinc/61/71/66/594617166.db2.gz VKNUFHFRZXHZEL-UHFFFAOYSA-N -1 2 340.313 1.269 20 0 EDADLM COC(=O)c1nscc1S(=O)(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC000831470092 594636841 /nfs/dbraw/zinc/63/68/41/594636841.db2.gz DGZFNGOTXPTJLE-UHFFFAOYSA-N -1 2 345.358 1.065 20 0 EDADLM CCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000829573540 594643329 /nfs/dbraw/zinc/64/33/29/594643329.db2.gz AFKRRJDLUWNFIT-UHFFFAOYSA-N -1 2 330.391 1.328 20 0 EDADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C2CC2)n[nH]1 ZINC000832204145 594735196 /nfs/dbraw/zinc/73/51/96/594735196.db2.gz GDTZBQKBASULCL-UHFFFAOYSA-N -1 2 337.357 1.795 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)NC(=O)CC[C@H]1CCOC1 ZINC000833097872 594797527 /nfs/dbraw/zinc/79/75/27/594797527.db2.gz XZQCHCUCDKSBSD-QMMMGPOBSA-N -1 2 333.387 1.068 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)cc1 ZINC000833323354 594827124 /nfs/dbraw/zinc/82/71/24/594827124.db2.gz FYTCNQDLBXFGIL-UHFFFAOYSA-N -1 2 344.352 1.971 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c(C)n1 ZINC000833733653 594918356 /nfs/dbraw/zinc/91/83/56/594918356.db2.gz WWMPEDBSSVXOEH-UHFFFAOYSA-N -1 2 326.330 1.799 20 0 EDADLM O=C([O-])N1CCC2(C[C@@H]2C(=O)NS(=O)(=O)c2ccsc2)CC1 ZINC000834051970 595001283 /nfs/dbraw/zinc/00/12/83/595001283.db2.gz YCFLCJSTUWATGO-SNVBAGLBSA-N -1 2 344.414 1.333 20 0 EDADLM O=C([O-])Cc1csc(NS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000037374412 600050791 /nfs/dbraw/zinc/05/07/91/600050791.db2.gz VOPZFZNTDHXNNB-UHFFFAOYSA-N -1 2 338.819 2.286 20 0 EDADLM COc1ncccc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000320067962 601324630 /nfs/dbraw/zinc/32/46/30/601324630.db2.gz MZRNYFIUXLGAGL-RMKNXTFCSA-N -1 2 334.353 1.989 20 0 EDADLM C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NC(=O)c2ccccc2O)C1 ZINC000939499809 699637946 /nfs/dbraw/zinc/63/79/46/699637946.db2.gz CYHPFGMRDJAIRU-QWHCGFSZSA-N -1 2 342.399 1.325 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000275312590 540058945 /nfs/dbraw/zinc/05/89/45/540058945.db2.gz RMLYPFKMOYWFKL-MUWHJKNJSA-N -1 2 329.271 1.822 20 0 EDADLM O=C(NCCCc1n[nH]c(=O)[n-]1)c1c(O)cc(Cl)cc1Cl ZINC000080034212 287304349 /nfs/dbraw/zinc/30/43/49/287304349.db2.gz OMVCKAPVKCOGKP-UHFFFAOYSA-N -1 2 331.159 1.473 20 0 EDADLM Cc1cnc2c(cccc2S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1 ZINC000536686717 306025216 /nfs/dbraw/zinc/02/52/16/306025216.db2.gz NPRYBTJGNGICAV-UHFFFAOYSA-N -1 2 346.368 1.776 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cn1 ZINC000547547196 306103754 /nfs/dbraw/zinc/10/37/54/306103754.db2.gz SRUOZBUKAXKRHO-UHFFFAOYSA-N -1 2 340.317 1.310 20 0 EDADLM CC(C)(C)OC(=O)NC(C(=O)[N-]OC(C)(C)CO)C(F)(F)F ZINC000495878018 320399394 /nfs/dbraw/zinc/39/93/94/320399394.db2.gz RXYQQUIRPBRVAB-ZETCQYMHSA-N -1 2 330.303 1.261 20 0 EDADLM C[C@@H](CNS(=O)(=O)c1cscn1)[N@@H+]1CCc2sccc2C1 ZINC000580770709 322093204 /nfs/dbraw/zinc/09/32/04/322093204.db2.gz AFBAGONAXRVDMS-JTQLQIEISA-N -1 2 343.499 1.930 20 0 EDADLM Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000329263990 444515667 /nfs/dbraw/zinc/51/56/67/444515667.db2.gz DQEYNZLNSOICJT-AWEZNQCLSA-N -1 2 325.372 1.961 20 0 EDADLM COCC[N@H+](C)CCCNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000342060582 445149984 /nfs/dbraw/zinc/14/99/84/445149984.db2.gz ZLOJSVCCMLSJFX-UHFFFAOYSA-N -1 2 329.470 1.347 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000362487683 445408063 /nfs/dbraw/zinc/40/80/63/445408063.db2.gz KQHUWWXJDCQPJW-UHFFFAOYSA-N -1 2 344.352 1.762 20 0 EDADLM N#Cc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000392106130 447521375 /nfs/dbraw/zinc/52/13/75/447521375.db2.gz LHIILYZONLVBNR-UHFFFAOYSA-N -1 2 347.308 1.965 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000569977770 447930124 /nfs/dbraw/zinc/93/01/24/447930124.db2.gz PJTXNPOOIWDTIK-KWQFWETISA-N -1 2 347.364 1.842 20 0 EDADLM COCCN(CC(=O)[O-])S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000517338011 448573207 /nfs/dbraw/zinc/57/32/07/448573207.db2.gz YDLVDFZKAKWPTK-UHFFFAOYSA-N -1 2 330.337 1.029 20 0 EDADLM O=C(c1cc2nc[nH]c2cc1F)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000578741896 448624121 /nfs/dbraw/zinc/62/41/21/448624121.db2.gz LEJZVLSOXPXARB-MRVPVSSYSA-N -1 2 331.307 1.810 20 0 EDADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cccnc1 ZINC000548592882 449062591 /nfs/dbraw/zinc/06/25/91/449062591.db2.gz VHBNFQBGAMDEQD-UHFFFAOYSA-N -1 2 336.369 1.908 20 0 EDADLM CC(C)(C)c1nc(=NC(=O)N2CCC(C)(C(=O)[O-])CC2)s[nH]1 ZINC000647695781 452425921 /nfs/dbraw/zinc/42/59/21/452425921.db2.gz VHYZARKSQPWARP-UHFFFAOYSA-N -1 2 326.422 1.976 20 0 EDADLM O=C([O-])[C@@H](CNC(=O)C1=NN(c2ccccc2)CC1=O)C1CCC1 ZINC000663147454 453705484 /nfs/dbraw/zinc/70/54/84/453705484.db2.gz MRZOPDBHOJIECF-ZDUSSCGKSA-N -1 2 329.356 1.809 20 0 EDADLM O=C([O-])c1cccc(CNC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)c1 ZINC000678932932 487380183 /nfs/dbraw/zinc/38/01/83/487380183.db2.gz QXJKAINPCXYPQU-UHFFFAOYSA-N -1 2 340.295 1.064 20 0 EDADLM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1c(O)cc(F)cc1F ZINC000682691547 487406802 /nfs/dbraw/zinc/40/68/02/487406802.db2.gz VOULNTWUMFUQHU-UHFFFAOYSA-N -1 2 333.254 1.604 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C1CC1 ZINC000769867425 580247445 /nfs/dbraw/zinc/24/74/45/580247445.db2.gz AVDXDKNOKFMRQG-UHFFFAOYSA-N -1 2 325.346 1.698 20 0 EDADLM Cc1ccc(-n2[n-]c(C(=O)NCCc3n[nH]c(=S)o3)cc2=O)cc1 ZINC000776541730 580419975 /nfs/dbraw/zinc/41/99/75/580419975.db2.gz ISOORYYVVXURPK-UHFFFAOYSA-N -1 2 345.384 1.118 20 0 EDADLM Cc1ccc(-n2[n-]c(C(=O)NCCC3N=NC(=S)O3)cc2=O)cc1 ZINC000776541730 580419976 /nfs/dbraw/zinc/41/99/76/580419976.db2.gz ISOORYYVVXURPK-UHFFFAOYSA-N -1 2 345.384 1.118 20 0 EDADLM C[C@]1(C(=O)[O-])CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000902110279 591916005 /nfs/dbraw/zinc/91/60/05/591916005.db2.gz KASKFOBCNFDSSA-MRXNPFEDSA-N -1 2 333.319 1.796 20 0 EDADLM O=C([O-])[C@H](NC(=O)c1cc(F)c(O)c(Cl)c1)C1CCOCC1 ZINC000910019365 592752185 /nfs/dbraw/zinc/75/21/85/592752185.db2.gz ZTLJMVMIHGYZCL-LLVKDONJSA-N -1 2 331.727 1.794 20 0 EDADLM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000910588947 592878650 /nfs/dbraw/zinc/87/86/50/592878650.db2.gz ANIRHPXBEDDIIS-KCJUWKMLSA-N -1 2 331.727 1.937 20 0 EDADLM CC(=O)N1CC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)CC12CCCCC2 ZINC000823980533 593900053 /nfs/dbraw/zinc/90/00/53/593900053.db2.gz FBNFTVKFBMGJNE-UHFFFAOYSA-N -1 2 344.419 1.827 20 0 EDADLM CC(=O)N1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)CC12CCCCC2 ZINC000823980533 593900056 /nfs/dbraw/zinc/90/00/56/593900056.db2.gz FBNFTVKFBMGJNE-UHFFFAOYSA-N -1 2 344.419 1.827 20 0 EDADLM CCOC(=O)c1ncccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000829895197 594285559 /nfs/dbraw/zinc/28/55/59/594285559.db2.gz JVQGTUXGMZEYBL-UHFFFAOYSA-N -1 2 339.329 1.085 20 0 EDADLM Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cncc(O)c3)C2)c1 ZINC000826558368 594525436 /nfs/dbraw/zinc/52/54/36/594525436.db2.gz WQXHFIULSBVQTH-SFHVURJKSA-N -1 2 341.411 1.726 20 0 EDADLM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000832289334 594740574 /nfs/dbraw/zinc/74/05/74/594740574.db2.gz YSSHZFJYJGUGAG-MWLCHTKSSA-N -1 2 332.316 1.405 20 0 EDADLM Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832872900 594782338 /nfs/dbraw/zinc/78/23/38/594782338.db2.gz DBIPYUSLYGXLNW-UHFFFAOYSA-N -1 2 341.370 1.049 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n(C)n1 ZINC000832898117 594783764 /nfs/dbraw/zinc/78/37/64/594783764.db2.gz AOJJYNCEXXGERV-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)NC(=O)CC[C@@H]1CCOC1 ZINC000833097871 594797475 /nfs/dbraw/zinc/79/74/75/594797475.db2.gz XZQCHCUCDKSBSD-MRVPVSSYSA-N -1 2 333.387 1.068 20 0 EDADLM O=C([O-])N1CC(NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000833130446 594800157 /nfs/dbraw/zinc/80/01/57/594800157.db2.gz XHOOUZXSPDVMHH-UHFFFAOYSA-N -1 2 349.568 1.900 20 0 EDADLM O=C([O-])Cc1csc(NC(=O)CSC2N=NC(=S)S2)n1 ZINC000833268670 594816423 /nfs/dbraw/zinc/81/64/23/594816423.db2.gz DPSPEAGRYYZTIS-UHFFFAOYSA-N -1 2 348.456 1.641 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc3scnc3c2)cn1 ZINC000833274117 594818584 /nfs/dbraw/zinc/81/85/84/594818584.db2.gz QHJWBZMTKNMOHZ-UHFFFAOYSA-N -1 2 338.370 1.378 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000833359918 594833796 /nfs/dbraw/zinc/83/37/96/594833796.db2.gz BCXWSWIRDIZWCX-UHFFFAOYSA-N -1 2 339.354 1.137 20 0 EDADLM CC(C)CCn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC000833485538 594857624 /nfs/dbraw/zinc/85/76/24/594857624.db2.gz WSWYMSFAPBRLIW-UHFFFAOYSA-N -1 2 338.389 1.823 20 0 EDADLM CC(C)c1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC000833511859 594862271 /nfs/dbraw/zinc/86/22/71/594862271.db2.gz IYYCRGHAXBYRKS-UHFFFAOYSA-N -1 2 328.375 1.556 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)nc1C ZINC000833683325 594905462 /nfs/dbraw/zinc/90/54/62/594905462.db2.gz KZBZWMZZDVGKEM-UHFFFAOYSA-N -1 2 330.391 1.475 20 0 EDADLM COc1cc(O)cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000833728676 594917401 /nfs/dbraw/zinc/91/74/01/594917401.db2.gz JJDFSHNTTACRRU-UHFFFAOYSA-N -1 2 329.355 1.961 20 0 EDADLM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000882715144 598031483 /nfs/dbraw/zinc/03/14/83/598031483.db2.gz NGCWWENIEASOBW-LJQANCHMSA-N -1 2 345.805 1.416 20 0 EDADLM COc1ccc(OC)c(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1 ZINC000322381856 600175910 /nfs/dbraw/zinc/17/59/10/600175910.db2.gz KDWNLTUMEBXIEP-UHFFFAOYSA-N -1 2 340.357 1.839 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc3c2CCCC3)cn1 ZINC000319588162 600673634 /nfs/dbraw/zinc/67/36/34/600673634.db2.gz JXOFIJBAOVJYML-UHFFFAOYSA-N -1 2 335.385 1.647 20 0 EDADLM Cc1nnc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000313485054 601501744 /nfs/dbraw/zinc/50/17/44/601501744.db2.gz WRDNSRYYGFBQCT-DAXSKMNVSA-N -1 2 325.371 1.745 20 0 EDADLM C[C@H]1CC[N@H+](C[C@@H](O)c2cccnc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000295160041 303182029 /nfs/dbraw/zinc/18/20/29/303182029.db2.gz DGANWNSSNBTCGS-VTPLQMEGSA-N -1 2 345.365 1.892 20 0 EDADLM Cc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)nn1C ZINC000439053280 305193224 /nfs/dbraw/zinc/19/32/24/305193224.db2.gz FZPDTOBUYRAXSF-UHFFFAOYSA-N -1 2 339.373 1.301 20 0 EDADLM COc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000109419331 441498943 /nfs/dbraw/zinc/49/89/43/441498943.db2.gz ZDBWMICLKMVMRH-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM COc1cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc(Cl)c1O ZINC000153896989 442309509 /nfs/dbraw/zinc/30/95/09/442309509.db2.gz XLLURSVEODZWBJ-WDEREUQCSA-N -1 2 342.823 1.581 20 0 EDADLM Cc1cccc(F)c1S(=O)(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000186262705 442499895 /nfs/dbraw/zinc/49/98/95/442499895.db2.gz FALUPQCTIXDXEG-CQSZACIVSA-N -1 2 344.452 1.769 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000179965768 442522839 /nfs/dbraw/zinc/52/28/39/442522839.db2.gz DMOGARBHCNIEGQ-UWVGGRQHSA-N -1 2 349.412 1.834 20 0 EDADLM CCc1ncc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000269464724 443315006 /nfs/dbraw/zinc/31/50/06/443315006.db2.gz ISUZEXQQLZPHER-UHFFFAOYSA-N -1 2 335.385 1.857 20 0 EDADLM CCOc1ncccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000319706735 444325428 /nfs/dbraw/zinc/32/54/28/444325428.db2.gz YQAJPVGONMGCGL-UHFFFAOYSA-N -1 2 336.369 1.908 20 0 EDADLM CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000321076702 444334436 /nfs/dbraw/zinc/33/44/36/444334436.db2.gz HARZCPJEEMGZTH-UHFFFAOYSA-N -1 2 338.341 1.447 20 0 EDADLM Cc1nc(C)c(CCC(=O)N2CC[NH+](Cc3ccco3)CC2)c(=O)[nH]1 ZINC000298100474 444415259 /nfs/dbraw/zinc/41/52/59/444415259.db2.gz MMIOBHOFGQWOID-UHFFFAOYSA-N -1 2 344.415 1.669 20 0 EDADLM O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2cncnc2)cc1 ZINC000362220200 446270315 /nfs/dbraw/zinc/27/03/15/446270315.db2.gz XRVPBMODJPLXDM-UHFFFAOYSA-N -1 2 335.341 1.325 20 0 EDADLM CNS(=O)(=O)c1cc(-c2nc(Cc3c[nH+]ccc3C)no2)c(C)o1 ZINC000664979526 453527835 /nfs/dbraw/zinc/52/78/35/453527835.db2.gz ALWLZSAPBRLIHG-UHFFFAOYSA-N -1 2 348.384 1.840 20 0 EDADLM CCC[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)c1nn[nH]n1 ZINC000667963326 487036652 /nfs/dbraw/zinc/03/66/52/487036652.db2.gz LKDISFXQQKCYAR-HNNXBMFYSA-N -1 2 328.420 1.606 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c(OC)n1 ZINC000673629692 487072532 /nfs/dbraw/zinc/07/25/32/487072532.db2.gz UXEJIHOMIYORLR-UHFFFAOYSA-N -1 2 342.329 1.499 20 0 EDADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1 ZINC000674050933 487192236 /nfs/dbraw/zinc/19/22/36/487192236.db2.gz XULIXFRVURXFQH-UHFFFAOYSA-N -1 2 339.348 1.931 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc(OC)c(NC(=O)[O-])c2)cn1 ZINC000739569951 578572510 /nfs/dbraw/zinc/57/25/10/578572510.db2.gz JCJVOUMDFKZCOO-UHFFFAOYSA-N -1 2 340.361 1.802 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cc(OC)ccc2NC(=O)[O-])cn1 ZINC000739570936 578573368 /nfs/dbraw/zinc/57/33/68/578573368.db2.gz VMWZIXWJKNYIKZ-UHFFFAOYSA-N -1 2 340.361 1.802 20 0 EDADLM CCOC(=O)c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000737154748 579052194 /nfs/dbraw/zinc/05/21/94/579052194.db2.gz KNJUYKZKLBQRLE-UHFFFAOYSA-N -1 2 346.342 1.412 20 0 EDADLM O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)nc1 ZINC000740115351 579290985 /nfs/dbraw/zinc/29/09/85/579290985.db2.gz VNMZLPRIEGCVHC-UHFFFAOYSA-N -1 2 326.268 1.375 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)ccc1F ZINC000761899373 580063356 /nfs/dbraw/zinc/06/33/56/580063356.db2.gz CCTXXJZXZIMEDH-UHFFFAOYSA-N -1 2 336.304 1.596 20 0 EDADLM C[C@@H](NC(=O)c1cc2c(cc1O)CCCC2)[C@H]1CN(C)CC[N@@H+]1C ZINC000896568753 591529655 /nfs/dbraw/zinc/52/96/55/591529655.db2.gz OVMMXEAQCRHXLC-CXAGYDPISA-N -1 2 331.460 1.635 20 0 EDADLM CC(=CC(=O)Nc1cc(-c2nn[nH]n2)ccc1F)C[NH+]1CCOCC1 ZINC000909640801 591881166 /nfs/dbraw/zinc/88/11/66/591881166.db2.gz RBEBJYMFNVBFKZ-DHZHZOJOSA-N -1 2 346.366 1.223 20 0 EDADLM C/C(=C\C(=O)Nc1cc(-c2nn[nH]n2)ccc1F)C[NH+]1CCOCC1 ZINC000909640801 591881167 /nfs/dbraw/zinc/88/11/67/591881167.db2.gz RBEBJYMFNVBFKZ-DHZHZOJOSA-N -1 2 346.366 1.223 20 0 EDADLM O=C([O-])C1(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)CCC1 ZINC000905037635 592374162 /nfs/dbraw/zinc/37/41/62/592374162.db2.gz OKIXWFLBYLIMEE-BDAKNGLRSA-N -1 2 345.339 1.413 20 0 EDADLM COc1cccc(S(O)=CC(=O)[N-]S(=O)(=O)CCC(C)C)c1 ZINC000820048036 593786441 /nfs/dbraw/zinc/78/64/41/593786441.db2.gz IALFBNPJQQAQTB-NRFANRHFSA-N -1 2 347.458 1.295 20 0 EDADLM C[C@@]1(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)CCN(C(=O)[O-])C1 ZINC000825677102 594213587 /nfs/dbraw/zinc/21/35/87/594213587.db2.gz BOCKHQYEHDGLIV-OAHLLOKOSA-N -1 2 332.316 1.358 20 0 EDADLM Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)c3cc(=O)[nH]cn3)C2)c1 ZINC000826549972 594522644 /nfs/dbraw/zinc/52/26/44/594522644.db2.gz DKGBTAOQOFQFEF-HNNXBMFYSA-N -1 2 342.399 1.121 20 0 EDADLM COCCc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000831795880 594703576 /nfs/dbraw/zinc/70/35/76/594703576.db2.gz PVBXQACCLPHXML-UHFFFAOYSA-N -1 2 342.398 1.831 20 0 EDADLM O=C([O-])N[C@@H]1CCCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000832365145 594745244 /nfs/dbraw/zinc/74/52/44/594745244.db2.gz GSFATNWJPYLVSZ-LLVKDONJSA-N -1 2 348.334 1.589 20 0 EDADLM O=C([O-])Nc1cnc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)cn1 ZINC000834277005 595076872 /nfs/dbraw/zinc/07/68/72/595076872.db2.gz DYGGLPUGPAQVAI-UHFFFAOYSA-N -1 2 342.271 1.162 20 0 EDADLM O=S(=O)(N[C@H]1C[NH2+]CCC1(F)F)C1=Cc2ccccc2OC1 ZINC000842894712 595228195 /nfs/dbraw/zinc/22/81/95/595228195.db2.gz QVTWQMDYINQZFW-ZDUSSCGKSA-N -1 2 330.356 1.337 20 0 EDADLM Cc1cc(C)n(CC[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)n1 ZINC000852756926 595528625 /nfs/dbraw/zinc/52/86/25/595528625.db2.gz YZAGVGLYJWXJBW-MFKMUULPSA-N -1 2 332.370 1.889 20 0 EDADLM COCCCO[N-]C(=O)C1=NN(c2ccc(F)cc2F)CC1=O ZINC000854449999 596082353 /nfs/dbraw/zinc/08/23/53/596082353.db2.gz YSJJNKUVNLMJBA-UHFFFAOYSA-N -1 2 327.287 1.554 20 0 EDADLM C[C@H]1CCN(C(=O)CCc2c[nH]nn2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000868351849 596795868 /nfs/dbraw/zinc/79/58/68/596795868.db2.gz IZQQJLKRVMUGER-AUTRQRHGSA-N -1 2 347.341 1.041 20 0 EDADLM C[C@H]1CCN(C(=O)CCc2cnn[nH]2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000868351849 596795870 /nfs/dbraw/zinc/79/58/70/596795870.db2.gz IZQQJLKRVMUGER-AUTRQRHGSA-N -1 2 347.341 1.041 20 0 EDADLM C[N@H+](CCc1ccccc1)CC(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000874147784 596941912 /nfs/dbraw/zinc/94/19/12/596941912.db2.gz MYUZBVRRSVHZKG-UHFFFAOYSA-N -1 2 327.310 1.937 20 0 EDADLM C[N@@H+](CCc1ccccc1)CC(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000874147784 596941918 /nfs/dbraw/zinc/94/19/18/596941918.db2.gz MYUZBVRRSVHZKG-UHFFFAOYSA-N -1 2 327.310 1.937 20 0 EDADLM Cc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1C(=O)[O-] ZINC000227865218 139022701 /nfs/dbraw/zinc/02/27/01/139022701.db2.gz KETBSEUWSNJNCM-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cn[nH]n2)C[C@H](C)O1 ZINC000194189647 273000884 /nfs/dbraw/zinc/00/08/84/273000884.db2.gz LTDFFBDUBFJJMA-STQMWFEESA-N -1 2 329.404 1.344 20 0 EDADLM C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cnn[nH]2)C[C@H](C)O1 ZINC000194189647 273000886 /nfs/dbraw/zinc/00/08/86/273000886.db2.gz LTDFFBDUBFJJMA-STQMWFEESA-N -1 2 329.404 1.344 20 0 EDADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)[C@H]2CCCOC2)c1OC ZINC000275083302 268277463 /nfs/dbraw/zinc/27/74/63/268277463.db2.gz ZGFYGVAVEPBVFS-JTQLQIEISA-N -1 2 345.373 1.323 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000548521862 306130332 /nfs/dbraw/zinc/13/03/32/306130332.db2.gz HIAQTSFLVIQXTF-MUWHJKNJSA-N -1 2 329.271 1.822 20 0 EDADLM Cc1noc(C)c1S(=O)(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000105549439 441259285 /nfs/dbraw/zinc/25/92/85/441259285.db2.gz CLWASSJRGNSQCV-GHMZBOCLSA-N -1 2 331.438 1.069 20 0 EDADLM CC[NH+](CC)[C@H](C(=O)N(C)C[C@@H](C)c1nn[nH]n1)c1ccccc1 ZINC000124558107 441934953 /nfs/dbraw/zinc/93/49/53/441934953.db2.gz JRBWOYBLYMMLNU-HIFRSBDPSA-N -1 2 330.436 1.845 20 0 EDADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)CCOC(C)C)c1OC ZINC000267511407 443481624 /nfs/dbraw/zinc/48/16/24/443481624.db2.gz KDYGDUXTZPDSEW-UHFFFAOYSA-N -1 2 347.389 1.569 20 0 EDADLM CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1C ZINC000267515527 443482358 /nfs/dbraw/zinc/48/23/58/443482358.db2.gz UJJIWAUQZSVPHZ-UHFFFAOYSA-N -1 2 339.373 1.724 20 0 EDADLM Cc1nc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)cn1C ZINC000265040344 443515139 /nfs/dbraw/zinc/51/51/39/443515139.db2.gz WBXDEAPLPPMROD-UHFFFAOYSA-N -1 2 339.373 1.383 20 0 EDADLM O=C([O-])[C@H](CNS(=O)(=O)CC(F)(F)F)Cc1ccccc1 ZINC000578479788 321780038 /nfs/dbraw/zinc/78/00/38/321780038.db2.gz ZXYSTRNVCFTOCG-JTQLQIEISA-N -1 2 325.308 1.412 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc1C(=O)[O-] ZINC000341662889 444938441 /nfs/dbraw/zinc/93/84/41/444938441.db2.gz YASWVQHHOWMOBO-UHFFFAOYSA-N -1 2 346.368 1.710 20 0 EDADLM O=C([O-])CCNC(=O)c1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC000349103148 445506849 /nfs/dbraw/zinc/50/68/49/445506849.db2.gz BQCBQSFRHZPTJP-UHFFFAOYSA-N -1 2 338.341 1.285 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c(F)c1 ZINC000353820816 445770079 /nfs/dbraw/zinc/77/00/79/445770079.db2.gz BKXAXFCHFCTBOR-UHFFFAOYSA-N -1 2 336.304 1.596 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c(F)c1 ZINC000353820816 445770082 /nfs/dbraw/zinc/77/00/82/445770082.db2.gz BKXAXFCHFCTBOR-UHFFFAOYSA-N -1 2 336.304 1.596 20 0 EDADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cncnc1 ZINC000362219404 446269700 /nfs/dbraw/zinc/26/97/00/446269700.db2.gz WBLKMLMYLXRQBS-UHFFFAOYSA-N -1 2 327.749 1.937 20 0 EDADLM CC(C)[N@@H+](C)CC(=O)N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1 ZINC000368500202 446902063 /nfs/dbraw/zinc/90/20/63/446902063.db2.gz BBRJSINTUVZJJM-CYBMUJFWSA-N -1 2 340.790 1.538 20 0 EDADLM CN1CCO[C@H]2C[N@H+](Cc3cc(=O)[nH]c(-c4ccccc4)n3)C[C@@H]21 ZINC000459357011 447646125 /nfs/dbraw/zinc/64/61/25/447646125.db2.gz ZFFUYYGGOMCDLN-HOTGVXAUSA-N -1 2 326.400 1.364 20 0 EDADLM CSCCO[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000496872481 447988662 /nfs/dbraw/zinc/98/86/62/447988662.db2.gz DYRMXMHGOOFVQV-SSDOTTSWSA-N -1 2 332.344 1.853 20 0 EDADLM CN(C)c1[nH+]cccc1O[C@@H]1CCN(c2cc[nH+]cc2C(=O)[O-])C1 ZINC000522061061 449048165 /nfs/dbraw/zinc/04/81/65/449048165.db2.gz UWEDDSNTYVYFRT-GFCCVEGCSA-N -1 2 328.372 1.899 20 0 EDADLM CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000614330324 449562375 /nfs/dbraw/zinc/56/23/75/449562375.db2.gz LWUMSXKPKMTQIR-AWEZNQCLSA-N -1 2 330.388 1.586 20 0 EDADLM COC(=O)c1oc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C ZINC000595317107 450030515 /nfs/dbraw/zinc/03/05/15/450030515.db2.gz CPHIMEIWXVSJNC-GHMZBOCLSA-N -1 2 342.417 1.278 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000629294131 451647282 /nfs/dbraw/zinc/64/72/82/451647282.db2.gz AGGMDUDQOXFAIQ-QMMMGPOBSA-N -1 2 347.364 1.842 20 0 EDADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000650407703 452740331 /nfs/dbraw/zinc/74/03/31/452740331.db2.gz MECFLOJNVPOBIL-QMTHXVAHSA-N -1 2 343.401 1.632 20 0 EDADLM Cc1cc(F)c(C(=O)[O-])c(NS(=O)(=O)c2cnc3n2CCC3)c1 ZINC000663265442 453750043 /nfs/dbraw/zinc/75/00/43/453750043.db2.gz FKKKPFBYKHHMFV-UHFFFAOYSA-N -1 2 339.348 1.776 20 0 EDADLM O=C([O-])NC[C@H]1CCCCN1C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000740622157 579370074 /nfs/dbraw/zinc/37/00/74/579370074.db2.gz HBRUBAXUZVVABE-GFCCVEGCSA-N -1 2 346.343 1.292 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CCSCC(=O)[O-] ZINC000737496865 579098181 /nfs/dbraw/zinc/09/81/81/579098181.db2.gz PPMYJRQWZPXZKM-UHFFFAOYSA-N -1 2 341.414 1.563 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000740177652 579297058 /nfs/dbraw/zinc/29/70/58/579297058.db2.gz QBODSHAZPWAJJI-UHFFFAOYSA-N -1 2 333.325 1.964 20 0 EDADLM CCn1nccc1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000769867801 580247416 /nfs/dbraw/zinc/24/74/16/580247416.db2.gz BEEMRSYJQZYQTO-UHFFFAOYSA-N -1 2 331.300 1.680 20 0 EDADLM COc1ccc(C(=O)NC(=O)C[N@H+](C)Cc2cnn(C)c2C)cc1 ZINC000790444248 580770093 /nfs/dbraw/zinc/77/00/93/580770093.db2.gz DBDUETDDCHVEKS-UHFFFAOYSA-N -1 2 330.388 1.126 20 0 EDADLM O=C1NC(=O)N2CC[N@H+](Cc3cc4ccnc(Cl)c4s3)C[C@H]12 ZINC000894423339 591308247 /nfs/dbraw/zinc/30/82/47/591308247.db2.gz OTIXTWSVCDCFBN-SNVBAGLBSA-N -1 2 336.804 1.686 20 0 EDADLM NC(=O)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccc(O)c(F)c2)CC1 ZINC000894449405 591313152 /nfs/dbraw/zinc/31/31/52/591313152.db2.gz LWISPMOXJFLDPN-SFHVURJKSA-N -1 2 343.402 1.876 20 0 EDADLM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)C[C@H]1c1ccccc1 ZINC000909625330 591866178 /nfs/dbraw/zinc/86/61/78/591866178.db2.gz XFKRFCSLHZSUKS-MELADBBJSA-N -1 2 340.383 1.236 20 0 EDADLM CNC(=O)C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736871451 593043276 /nfs/dbraw/zinc/04/32/76/593043276.db2.gz UNCAGPAKULCCES-UHFFFAOYSA-N -1 2 337.387 1.377 20 0 EDADLM CC(C)[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1nnc2ccccn21 ZINC000820026718 593784347 /nfs/dbraw/zinc/78/43/47/593784347.db2.gz MKRWZARHCJGTLC-CQSZACIVSA-N -1 2 338.375 1.989 20 0 EDADLM Fc1ccc(N2CC[NH+](Cc3ccon3)CC2)c(-c2nn[nH]n2)c1 ZINC000822778074 594099182 /nfs/dbraw/zinc/09/91/82/594099182.db2.gz CDIHWLSBEBXFTJ-UHFFFAOYSA-N -1 2 329.339 1.316 20 0 EDADLM CCN(C(=O)CCCn1cc[nH+]c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825371404 594174921 /nfs/dbraw/zinc/17/49/21/594174921.db2.gz GHSSBAIQWBKLEM-UHFFFAOYSA-N -1 2 325.376 1.897 20 0 EDADLM CN(C(=O)[C@H](c1ccccc1)n1cccn1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827729991 594267123 /nfs/dbraw/zinc/26/71/23/594267123.db2.gz ABQWJYYRNKGDGO-GJZGRUSLSA-N -1 2 328.372 1.683 20 0 EDADLM CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])o2)cn1C ZINC000829878343 594281185 /nfs/dbraw/zinc/28/11/85/594281185.db2.gz UXNFPIMPIKSVHH-UHFFFAOYSA-N -1 2 342.329 1.294 20 0 EDADLM CCOc1cc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1C ZINC000830049524 594324877 /nfs/dbraw/zinc/32/48/77/594324877.db2.gz FPRCORWPFLCYPI-UHFFFAOYSA-N -1 2 339.373 1.476 20 0 EDADLM CN(CCCNC(=O)[O-])C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000828301674 594386669 /nfs/dbraw/zinc/38/66/69/594386669.db2.gz DOMGPRMBTKOUNM-UHFFFAOYSA-N -1 2 336.323 1.447 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cn1 ZINC000830424301 594394076 /nfs/dbraw/zinc/39/40/76/594394076.db2.gz PLFXBPVDGJEIDP-UHFFFAOYSA-N -1 2 344.418 1.568 20 0 EDADLM CNC(=O)c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000831016141 594538696 /nfs/dbraw/zinc/53/86/96/594538696.db2.gz VUNNCQBNTWSAIG-UHFFFAOYSA-N -1 2 341.370 1.002 20 0 EDADLM COC(=O)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1O)C(=O)[O-] ZINC000831134152 594565638 /nfs/dbraw/zinc/56/56/38/594565638.db2.gz MHKDIZUMCGXESM-ZETCQYMHSA-N -1 2 336.127 1.445 20 0 EDADLM COc1ccc(NC(=O)[O-])c(NC(=O)CSc2nc(C)n[nH]2)c1 ZINC000829469564 594620827 /nfs/dbraw/zinc/62/08/27/594620827.db2.gz REKMXJXEYSLQPW-UHFFFAOYSA-N -1 2 337.361 1.942 20 0 EDADLM O=C([O-])N1CC[C@](F)(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000831908631 594710708 /nfs/dbraw/zinc/71/07/08/594710708.db2.gz SXZZUZPPJQAIFV-CQSZACIVSA-N -1 2 336.279 1.060 20 0 EDADLM Cc1ncc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000833010014 594791066 /nfs/dbraw/zinc/79/10/66/594791066.db2.gz WHPYOPHUNBRWLO-UHFFFAOYSA-N -1 2 329.284 1.562 20 0 EDADLM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000833187176 594803334 /nfs/dbraw/zinc/80/33/34/594803334.db2.gz QLMKHLYOPFFCGO-QWRGUYRKSA-N -1 2 331.328 1.859 20 0 EDADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nnc(C(F)F)s2)c1 ZINC000833334399 594828807 /nfs/dbraw/zinc/82/88/07/594828807.db2.gz MDKBQDQXGLIASI-UHFFFAOYSA-N -1 2 335.313 1.975 20 0 EDADLM O=C(CC1CCN(C(=O)[O-])CC1)NS(=O)(=O)c1ccsc1 ZINC000833986944 594982093 /nfs/dbraw/zinc/98/20/93/594982093.db2.gz CBPLQEKGNLHCSE-UHFFFAOYSA-N -1 2 332.403 1.333 20 0 EDADLM O=C([O-])[C@@H]1CC[C@H](C(=O)NS(=O)(=O)c2cnc3ccccc3c2)C1 ZINC000863960238 596732409 /nfs/dbraw/zinc/73/24/09/596732409.db2.gz XOAWHIFOLRHSJT-NWDGAFQWSA-N -1 2 348.380 1.541 20 0 EDADLM Cn1nccc1S(=O)(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000739061944 599926989 /nfs/dbraw/zinc/92/69/89/599926989.db2.gz DHOFSJLONAEKGU-UHFFFAOYSA-N -1 2 341.414 1.539 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cnc3onc(C)c3c2)c(C(=O)[O-])[nH]1 ZINC000738463884 600255927 /nfs/dbraw/zinc/25/59/27/600255927.db2.gz RNZHVNFZBFXUGA-UHFFFAOYSA-N -1 2 336.329 1.667 20 0 EDADLM O=C([O-])C[C@@H]1CSCCN1Cc1nc(=O)c2sccc2[nH]1 ZINC000091132255 601016032 /nfs/dbraw/zinc/01/60/32/601016032.db2.gz AEUWJRUDKVJVHM-MRVPVSSYSA-N -1 2 325.415 1.789 20 0 EDADLM O=C([O-])CCc1csc(NS(=O)(=O)c2ccc(F)cc2)n1 ZINC000026423689 604622956 /nfs/dbraw/zinc/62/29/56/604622956.db2.gz HHRZWMARQSHWPO-UHFFFAOYSA-N -1 2 330.362 2.100 20 0 EDADLM COC[C@@H](C)n1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000488978043 255061326 /nfs/dbraw/zinc/06/13/26/255061326.db2.gz LIQHVGSFSFVKLJ-SNVBAGLBSA-N -1 2 339.373 1.590 20 0 EDADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cnn1CC(C)C ZINC000346487565 143210122 /nfs/dbraw/zinc/21/01/22/143210122.db2.gz QVCAMLJXTQAXMN-UHFFFAOYSA-N -1 2 340.405 1.685 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)C[C@H](C)OC ZINC000337767358 286562956 /nfs/dbraw/zinc/56/29/56/286562956.db2.gz UCEMFIYWYPZUCE-QMMMGPOBSA-N -1 2 335.353 1.699 20 0 EDADLM C[C@H](NC(=O)c1cccs1)C(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000374096783 157141100 /nfs/dbraw/zinc/14/11/00/157141100.db2.gz ZOUKMDZLJJALRR-MMPTUQATSA-N -1 2 336.413 1.580 20 0 EDADLM O=C(CNC(=O)c1cccc2[nH]nnc21)Nc1ccc(Cl)cc1 ZINC000163570234 442174317 /nfs/dbraw/zinc/17/43/17/442174317.db2.gz UAKKYXFDBBPYKY-UHFFFAOYSA-N -1 2 329.747 1.980 20 0 EDADLM Cc1nc(S(=O)(=O)NCc2cc[nH+]c(N3CCCC3)c2)cn1C ZINC000121016854 442165538 /nfs/dbraw/zinc/16/55/38/442165538.db2.gz FPBYXXVCUXHIIP-UHFFFAOYSA-N -1 2 335.433 1.202 20 0 EDADLM Cc1nc(C)c(Cc2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c(=O)[nH]1 ZINC000349845050 319037276 /nfs/dbraw/zinc/03/72/76/319037276.db2.gz AQBSUZDEVXDAMT-ZDUSSCGKSA-N -1 2 333.392 1.555 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F ZINC000560416018 321027430 /nfs/dbraw/zinc/02/74/30/321027430.db2.gz RCCBUVCLBXXANR-PHDIDXHHSA-N -1 2 345.261 1.900 20 0 EDADLM Cc1cccc(C[C@@H](CNS(=O)(=O)CC(F)(F)F)C(=O)[O-])c1 ZINC000577689283 321672768 /nfs/dbraw/zinc/67/27/68/321672768.db2.gz BWRVPDGDGOGCPL-NSHDSACASA-N -1 2 339.335 1.720 20 0 EDADLM CCn1cnc(S(=O)(=O)Nc2ccc(OC)cc2C(=O)[O-])c1 ZINC000318868551 444321395 /nfs/dbraw/zinc/32/13/95/444321395.db2.gz DEVPATWXKHDDQQ-UHFFFAOYSA-N -1 2 325.346 1.411 20 0 EDADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)C[C@@H](C)OC ZINC000337739918 444383546 /nfs/dbraw/zinc/38/35/46/444383546.db2.gz CJVWDSDNMHDHLP-SSDOTTSWSA-N -1 2 337.781 1.823 20 0 EDADLM Cc1noc(C)c1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000354623172 445318637 /nfs/dbraw/zinc/31/86/37/445318637.db2.gz MVGBVAFIVIAOFP-UHFFFAOYSA-N -1 2 340.357 1.864 20 0 EDADLM COc1cc(O)cc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000355813275 445490714 /nfs/dbraw/zinc/49/07/14/445490714.db2.gz JZNSOUQTFJBICA-UHFFFAOYSA-N -1 2 327.314 1.801 20 0 EDADLM O=S(=O)(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(F)cccc1F ZINC000363439754 445804617 /nfs/dbraw/zinc/80/46/17/445804617.db2.gz MCABTIUAIDUEHD-MNOVXSKESA-N -1 2 332.372 1.106 20 0 EDADLM O=C([O-])[C@@H]1CSCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000584243458 326228467 /nfs/dbraw/zinc/22/84/67/326228467.db2.gz BEYGHYOEWPLOJL-INIZCTEOSA-N -1 2 336.457 1.521 20 0 EDADLM COc1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)c(Br)c1O ZINC000421399126 447150659 /nfs/dbraw/zinc/15/06/59/447150659.db2.gz ZTILQOVHKYAZFE-NSHDSACASA-N -1 2 343.221 1.874 20 0 EDADLM Cc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)s1 ZINC000532292094 448226998 /nfs/dbraw/zinc/22/69/98/448226998.db2.gz RIHAXCUTBUOAMC-UHFFFAOYSA-N -1 2 328.371 1.965 20 0 EDADLM COC(=O)c1cccc2[nH]c(NC(=O)[C@H]3CCc4c[nH+]cn4C3)nc21 ZINC000571926531 448237128 /nfs/dbraw/zinc/23/71/28/448237128.db2.gz USGAVBVXRXLTST-JTQLQIEISA-N -1 2 339.355 1.747 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 ZINC000547937940 448950889 /nfs/dbraw/zinc/95/08/89/448950889.db2.gz RWWVYXDHLQRICI-CBAPKCEASA-N -1 2 333.328 1.127 20 0 EDADLM CC(=O)NCC(C)(C)C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000653019951 453205955 /nfs/dbraw/zinc/20/59/55/453205955.db2.gz ACAGPXYXDCYSHW-UHFFFAOYSA-N -1 2 337.330 1.851 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(F)F ZINC000677551052 487117308 /nfs/dbraw/zinc/11/73/08/487117308.db2.gz RLIVFLQQUBQTRH-UHFFFAOYSA-N -1 2 349.290 1.996 20 0 EDADLM O=C(c1ccc2[nH][nH]c(=O)c2c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000668564284 485900805 /nfs/dbraw/zinc/90/08/05/485900805.db2.gz IPCRDBZKXWMBBK-CQSZACIVSA-N -1 2 344.415 1.595 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)s1 ZINC000740315423 579330549 /nfs/dbraw/zinc/33/05/49/579330549.db2.gz HMYFTVKZUNMUPS-UHFFFAOYSA-N -1 2 338.366 1.742 20 0 EDADLM O=C([O-])NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000740622158 579370126 /nfs/dbraw/zinc/37/01/26/579370126.db2.gz HBRUBAXUZVVABE-LBPRGKRZSA-N -1 2 346.343 1.292 20 0 EDADLM CCCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000751214910 579797481 /nfs/dbraw/zinc/79/74/81/579797481.db2.gz UDXUNPBDQAUUGA-UHFFFAOYSA-N -1 2 325.346 1.498 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cnc(Cl)c(F)c2)c1C(=O)[O-] ZINC000761969207 580064518 /nfs/dbraw/zinc/06/45/18/580064518.db2.gz HMOROPWBTLHFKY-UHFFFAOYSA-N -1 2 334.716 1.107 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C1CC1 ZINC000769867806 580247450 /nfs/dbraw/zinc/24/74/50/580247450.db2.gz IERHLKXQIVFYOJ-UHFFFAOYSA-N -1 2 339.348 1.936 20 0 EDADLM C[C@H]1C[N@@H+](Cc2ccc(O)c(F)c2)CCN1c1nccn2cnnc12 ZINC000892213319 590867779 /nfs/dbraw/zinc/86/77/79/590867779.db2.gz WWYSTGSNSVLVBM-LBPRGKRZSA-N -1 2 342.378 1.680 20 0 EDADLM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@H]1c1ccccc1 ZINC000909625329 591866219 /nfs/dbraw/zinc/86/62/19/591866219.db2.gz XFKRFCSLHZSUKS-HZSPNIEDSA-N -1 2 340.383 1.236 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc3c2COC3=O)c1 ZINC000808128420 593225894 /nfs/dbraw/zinc/22/58/94/593225894.db2.gz UHYQHFPWSCBPIJ-UHFFFAOYSA-N -1 2 349.320 1.562 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@](F)(C(=O)[O-])C2)=N1 ZINC000830269704 594365739 /nfs/dbraw/zinc/36/57/39/594365739.db2.gz DFSOQGWQNRYGFL-QGZVFWFLSA-N -1 2 347.346 1.779 20 0 EDADLM CC[C@H](C)c1ccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)cc1 ZINC000828770283 594499639 /nfs/dbraw/zinc/49/96/39/594499639.db2.gz IBJQFUHOXXJOHU-JTQLQIEISA-N -1 2 338.389 1.677 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Oc2cc(C)sc2C(=O)[O-])c[nH]1 ZINC000831353951 594613477 /nfs/dbraw/zinc/61/34/77/594613477.db2.gz PUGDEIFRTMCWJW-UHFFFAOYSA-N -1 2 345.354 1.637 20 0 EDADLM O=C([O-])N1CC[C@@](F)(C(=O)Nc2nc(-c3cccs3)n[nH]2)C1 ZINC000831913898 594711026 /nfs/dbraw/zinc/71/10/26/594711026.db2.gz BMKVEKCTGRKDQH-LBPRGKRZSA-N -1 2 325.325 1.564 20 0 EDADLM O=C([O-])NC1CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC1 ZINC000832381590 594746202 /nfs/dbraw/zinc/74/62/02/594746202.db2.gz KPJKLBKFIUFUQV-UHFFFAOYSA-N -1 2 348.334 1.589 20 0 EDADLM COc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])nc1 ZINC000832413456 594748592 /nfs/dbraw/zinc/74/85/92/594748592.db2.gz YOPLFKGUVLZBML-UHFFFAOYSA-N -1 2 326.330 1.799 20 0 EDADLM COc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])c(OC)c1 ZINC000832419159 594749024 /nfs/dbraw/zinc/74/90/24/594749024.db2.gz CFFMMAUWZSLTQG-UHFFFAOYSA-N -1 2 344.370 1.659 20 0 EDADLM CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757279 595528505 /nfs/dbraw/zinc/52/85/05/595528505.db2.gz BBODDPRPFMCCSG-WOPDTQHZSA-N -1 2 337.386 1.631 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000853071770 595656124 /nfs/dbraw/zinc/65/61/24/595656124.db2.gz SCRDEYHEHUDRBK-PHDIDXHHSA-N -1 2 345.261 1.900 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000738042491 600229384 /nfs/dbraw/zinc/22/93/84/600229384.db2.gz XREWYZDOVJVPTE-UHFFFAOYSA-N -1 2 344.295 1.867 20 0 EDADLM Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccon2)[C@@H]1C ZINC000993720714 696323198 /nfs/dbraw/zinc/32/31/98/696323198.db2.gz RTSKHOXUEHVZIW-YPMHNXCESA-N -1 2 331.376 1.262 20 0 EDADLM O=C(c1cnc[nH]c1=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(Cl)cc1 ZINC001032466489 703648564 /nfs/dbraw/zinc/64/85/64/703648564.db2.gz HZXWEDWJAHNAFC-KBPBESRZSA-N -1 2 344.802 1.935 20 0 EDADLM C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cc1NS(C)(=O)=O ZINC000564225240 306357695 /nfs/dbraw/zinc/35/76/95/306357695.db2.gz YERMKLGRMCIILJ-SECBINFHSA-N -1 2 340.380 1.738 20 0 EDADLM C[C@H](C(=O)[O-])[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000263052865 139319735 /nfs/dbraw/zinc/31/97/35/139319735.db2.gz DPFXLZOMDQGSBP-CJNGLKHVSA-N -1 2 333.432 1.343 20 0 EDADLM CC(C)[C@@H](C(=O)[O-])N1CC[C@@H](N=c2nc(C(C)(C)C)[nH]s2)C1=O ZINC000416442652 304318547 /nfs/dbraw/zinc/31/85/47/304318547.db2.gz FVECWTRSMQUXAD-ZJUUUORDSA-N -1 2 340.449 1.380 20 0 EDADLM CN(C)c1[nH+]cccc1CNC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000361287782 152354075 /nfs/dbraw/zinc/35/40/75/152354075.db2.gz KIFIXRXXHNFWKR-UHFFFAOYSA-N -1 2 343.313 1.284 20 0 EDADLM Cc1cccc(C(=O)N2CCC[N@H+](Cc3n[nH]c(=O)s3)CC2)c1 ZINC000364950207 153380979 /nfs/dbraw/zinc/38/09/79/153380979.db2.gz JEDVWPQUROSMBO-UHFFFAOYSA-N -1 2 332.429 1.900 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cn1 ZINC000016130664 441216270 /nfs/dbraw/zinc/21/62/70/441216270.db2.gz BFEZNFGIHRMASL-UHFFFAOYSA-N -1 2 338.341 1.598 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cn1 ZINC000269616631 443366900 /nfs/dbraw/zinc/36/69/00/443366900.db2.gz LWYLXVCYEFLWNK-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1 ZINC000269728865 443414735 /nfs/dbraw/zinc/41/47/35/443414735.db2.gz XHWDWSFMHPLOCA-LBPRGKRZSA-N -1 2 337.357 1.344 20 0 EDADLM COC(=O)[C@H]1CC[C@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000288980589 444026945 /nfs/dbraw/zinc/02/69/45/444026945.db2.gz YIZTZKIHDDSGGN-SFYZADRCSA-N -1 2 336.298 1.888 20 0 EDADLM O=C(C[N@@H+]1CCCC[C@@H]1c1nc(=O)[nH][nH]1)NCCC1=CCCCC1 ZINC000294930969 444159783 /nfs/dbraw/zinc/15/97/83/444159783.db2.gz CYUOICJFHLLOLF-CQSZACIVSA-N -1 2 333.436 1.632 20 0 EDADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2c(C)noc2C)c1 ZINC000316785347 444312749 /nfs/dbraw/zinc/31/27/49/444312749.db2.gz ZHYXMDZDGYXQPE-UHFFFAOYSA-N -1 2 326.330 1.799 20 0 EDADLM COc1cc(NS(=O)(=O)c2c[nH]nc2C)c(C(=O)[O-])cc1OC ZINC000336864026 444809990 /nfs/dbraw/zinc/80/99/90/444809990.db2.gz LODAJRYCPYMROC-UHFFFAOYSA-N -1 2 341.345 1.234 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)cc1C(=O)[O-] ZINC000357330342 445551097 /nfs/dbraw/zinc/55/10/97/445551097.db2.gz ONCPSZSVOAHOTD-UHFFFAOYSA-N -1 2 337.313 1.371 20 0 EDADLM CCc1cc(=O)[nH]c(C[NH+]2CCC(c3nc(N(C)C)no3)CC2)n1 ZINC000374911967 446452632 /nfs/dbraw/zinc/45/26/32/446452632.db2.gz MBEZCJQPXYQXHE-UHFFFAOYSA-N -1 2 332.408 1.573 20 0 EDADLM CC(C)(C)c1nc(=NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)s[nH]1 ZINC000454712939 446951936 /nfs/dbraw/zinc/95/19/36/446951936.db2.gz SFZZCEMFSHCWSO-LLVKDONJSA-N -1 2 341.481 1.226 20 0 EDADLM CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)s[nH]1 ZINC000577998797 448435353 /nfs/dbraw/zinc/43/53/53/448435353.db2.gz ZWETXOYUXKRNFC-VIFPVBQESA-N -1 2 326.422 1.976 20 0 EDADLM Cc1onc(N)c1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000519742356 448831402 /nfs/dbraw/zinc/83/14/02/448831402.db2.gz FMYPPMWYCHZYJY-UHFFFAOYSA-N -1 2 333.272 1.342 20 0 EDADLM CCn1cc(-c2cc(=O)n(-c3ccc(C(=O)[O-])cc3OC)[nH]2)cn1 ZINC000634612481 451420733 /nfs/dbraw/zinc/42/07/33/451420733.db2.gz ZJMWMUMEGVHCSF-UHFFFAOYSA-N -1 2 328.328 1.751 20 0 EDADLM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1C[N@H+](C)CCO1 ZINC000125823108 491010630 /nfs/dbraw/zinc/01/06/30/491010630.db2.gz CCUSAKCPBWVILX-JOYOIKCWSA-N -1 2 336.816 1.477 20 0 EDADLM COc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000788755439 580729103 /nfs/dbraw/zinc/72/91/03/580729103.db2.gz AVXZAHRNUAOBHZ-UHFFFAOYSA-N -1 2 343.336 1.375 20 0 EDADLM C[C@H]1CN(c2ccc(Cl)c(-c3nn[nH]n3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000820774564 593887534 /nfs/dbraw/zinc/88/75/34/593887534.db2.gz FRXHBSRXINAURI-CMPLNLGQSA-N -1 2 349.826 1.072 20 0 EDADLM CCOCC[NH+]1CCN(c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000821378182 594032128 /nfs/dbraw/zinc/03/21/28/594032128.db2.gz KOOCKSJXHOBSEP-UHFFFAOYSA-N -1 2 338.362 1.303 20 0 EDADLM O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCCN1c1ccccc1 ZINC000823512186 594212485 /nfs/dbraw/zinc/21/24/85/594212485.db2.gz MALDQRJYHRARRK-AWEZNQCLSA-N -1 2 338.371 1.745 20 0 EDADLM CCn1nc(C)c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c1C ZINC000830440896 594396124 /nfs/dbraw/zinc/39/61/24/594396124.db2.gz KQMFUWALOVHTHA-UHFFFAOYSA-N -1 2 344.418 1.404 20 0 EDADLM Cn1nccc1S(=O)(=O)Nc1cc2c(cc1NC(=O)[O-])OCO2 ZINC000831059770 594546401 /nfs/dbraw/zinc/54/64/01/594546401.db2.gz WTVQMLPMXCPUPA-UHFFFAOYSA-N -1 2 340.317 1.040 20 0 EDADLM Cn1nccc1S(=O)(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000833062361 594795396 /nfs/dbraw/zinc/79/53/96/594795396.db2.gz QSCYBXCVFWDHMV-UHFFFAOYSA-N -1 2 344.418 1.673 20 0 EDADLM O=C(NCCc1csc([C@H]2C[N@H+]3CCC[C@H]3CO2)n1)C(F)(F)F ZINC000864367291 596872044 /nfs/dbraw/zinc/87/20/44/596872044.db2.gz RUGNIRWSGHJZGF-WDEREUQCSA-N -1 2 349.378 1.900 20 0 EDADLM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000872485611 596931469 /nfs/dbraw/zinc/93/14/69/596931469.db2.gz RBPGHMDVLOBOEE-OAQYLSRUSA-N -1 2 348.494 1.450 20 0 EDADLM O=C([O-])c1ccc(OC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c(Cl)c1 ZINC000739356065 599704436 /nfs/dbraw/zinc/70/44/36/599704436.db2.gz WNINCJCUSYALFM-UHFFFAOYSA-N -1 2 348.702 1.028 20 0 EDADLM Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(C)n1 ZINC000021789938 601843512 /nfs/dbraw/zinc/84/35/12/601843512.db2.gz YALQLAHHZAQDJC-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM Cc1nc([C@H](C)NS(=O)(=O)CC(F)(F)F)sc1C(=O)[O-] ZINC000563080598 306317822 /nfs/dbraw/zinc/31/78/22/306317822.db2.gz GOWYRRIJPMQMRL-YFKPBYRVSA-N -1 2 332.325 1.692 20 0 EDADLM Cc1cccc([C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])c1 ZINC000275008545 540057658 /nfs/dbraw/zinc/05/76/58/540057658.db2.gz BLNGIRRQHZFCGL-WCBMZHEXSA-N -1 2 325.308 1.991 20 0 EDADLM CCCC[C@H](NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)C(=O)[O-] ZINC000262246588 139263232 /nfs/dbraw/zinc/26/32/32/139263232.db2.gz CNJGBAVAKUZNHY-QMMMGPOBSA-N -1 2 334.332 1.118 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1C(=O)[O-] ZINC000444421712 305248000 /nfs/dbraw/zinc/24/80/00/305248000.db2.gz HTQSKFVFIMIGKM-UHFFFAOYSA-N -1 2 346.368 1.914 20 0 EDADLM C[C@H](C(=O)[O-])[C@H](NS(=O)(=O)CC(F)(F)F)c1ccccc1 ZINC000555666221 306204919 /nfs/dbraw/zinc/20/49/19/306204919.db2.gz WEWHWGUJJLOZOH-WPRPVWTQSA-N -1 2 325.308 1.930 20 0 EDADLM COC(=O)c1sccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000020521064 441264379 /nfs/dbraw/zinc/26/43/79/441264379.db2.gz SSEMISWBMDVLDA-UHFFFAOYSA-N -1 2 330.343 1.362 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000091022013 441651067 /nfs/dbraw/zinc/65/10/67/441651067.db2.gz YEIULBLUZXEDEM-UHFFFAOYSA-N -1 2 327.337 1.621 20 0 EDADLM Cc1c(O)ccc2c(C[N@H+]3CCOC[C@H]3C[C@@H](C)O)cc(=O)oc12 ZINC000156984179 442539161 /nfs/dbraw/zinc/53/91/61/442539161.db2.gz KRLPHLKHXWBFSU-BXUZGUMPSA-N -1 2 333.384 1.779 20 0 EDADLM Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)n1 ZINC000296765342 444252994 /nfs/dbraw/zinc/25/29/94/444252994.db2.gz PKGPCPBECFXPQN-NEPJUHHUSA-N -1 2 340.424 1.369 20 0 EDADLM COc1cc(NS(=O)(=O)c2c(C)n[nH]c2C)ccc1C(=O)[O-] ZINC000320129389 444327874 /nfs/dbraw/zinc/32/78/74/444327874.db2.gz CRKDUWQPFKTTKY-UHFFFAOYSA-N -1 2 325.346 1.534 20 0 EDADLM CC[NH+]1CCN(C[C@@H](C)CNc2nc([C@H](C)OC)ns2)CC1 ZINC000337912818 444457801 /nfs/dbraw/zinc/45/78/01/444457801.db2.gz KVSXGQDUPBBMIL-STQMWFEESA-N -1 2 327.498 1.353 20 0 EDADLM COCCCn1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000341334754 444783943 /nfs/dbraw/zinc/78/39/43/444783943.db2.gz BGKITHIYHWFZFG-UHFFFAOYSA-N -1 2 345.402 1.480 20 0 EDADLM NC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1F ZINC000338876417 444907927 /nfs/dbraw/zinc/90/79/27/444907927.db2.gz HISYNWKVEKJUCT-UHFFFAOYSA-N -1 2 344.345 1.485 20 0 EDADLM Cn1ccnc1-c1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)[nH]n1 ZINC000355057459 445440993 /nfs/dbraw/zinc/44/09/93/445440993.db2.gz MCWNSFGCRVCEQT-UHFFFAOYSA-N -1 2 347.382 2.307 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cn[nH]c1 ZINC000360230736 445644501 /nfs/dbraw/zinc/64/45/01/445644501.db2.gz NCWOEPBYCGJVAN-UHFFFAOYSA-N -1 2 329.309 1.447 20 0 EDADLM CCOc1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc(Br)c1O ZINC000459489712 447686325 /nfs/dbraw/zinc/68/63/25/447686325.db2.gz UNJXJAPPHVZVEO-WDEREUQCSA-N -1 2 346.221 1.481 20 0 EDADLM CC1(C)C[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C[C@H](CO)O1 ZINC000517352609 448573730 /nfs/dbraw/zinc/57/37/30/448573730.db2.gz RNSAZVPYJADYSD-OAHLLOKOSA-N -1 2 329.400 1.821 20 0 EDADLM Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)n2)cc1 ZINC000574509362 448889158 /nfs/dbraw/zinc/88/91/58/448889158.db2.gz LMJOBBHOEYJHLO-KRWDZBQOSA-N -1 2 341.371 1.219 20 0 EDADLM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(=O)[O-] ZINC000569363003 449014407 /nfs/dbraw/zinc/01/44/07/449014407.db2.gz VNPGZXWODRFLEL-LBPRGKRZSA-N -1 2 333.344 1.507 20 0 EDADLM O=S(=O)(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(O)cc(F)c1 ZINC000632280064 451168384 /nfs/dbraw/zinc/16/83/84/451168384.db2.gz QCNLSZNKKZTGKR-ZDUSSCGKSA-N -1 2 328.409 1.827 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000629294130 451647241 /nfs/dbraw/zinc/64/72/41/451647241.db2.gz AGGMDUDQOXFAIQ-MRVPVSSYSA-N -1 2 347.364 1.842 20 0 EDADLM C[C@@](CNC(=O)N=c1nc2n([nH]1)CCCC2)(C(=O)[O-])c1ccccc1 ZINC000649544541 452136991 /nfs/dbraw/zinc/13/69/91/452136991.db2.gz YMNCNFONZOFCKQ-KRWDZBQOSA-N -1 2 343.387 1.200 20 0 EDADLM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000663120080 453693470 /nfs/dbraw/zinc/69/34/70/453693470.db2.gz OTYWFNXHLHORRA-BXKDBHETSA-N -1 2 333.319 1.795 20 0 EDADLM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000125822681 491010685 /nfs/dbraw/zinc/01/06/85/491010685.db2.gz CCUSAKCPBWVILX-CABZTGNLSA-N -1 2 336.816 1.477 20 0 EDADLM O=C([O-])NC[C@@H]1CCCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000740626829 579371051 /nfs/dbraw/zinc/37/10/51/579371051.db2.gz XUMJLQQYVGADBU-JTQLQIEISA-N -1 2 346.343 1.150 20 0 EDADLM O=C([O-])NCCOc1cccc(NC(=O)c2ccc3[nH]nnc3c2)c1 ZINC000740666627 579376110 /nfs/dbraw/zinc/37/61/10/579376110.db2.gz DCDZCUMTKVZZHH-UHFFFAOYSA-N -1 2 341.327 1.857 20 0 EDADLM COC(=O)c1ccnc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000737711518 578555117 /nfs/dbraw/zinc/55/51/17/578555117.db2.gz HKGNTAJCTMTVAI-UHFFFAOYSA-N -1 2 336.325 1.367 20 0 EDADLM O=C([O-])[C@H](NC(=O)c1cc(F)c(O)c(Cl)c1)[C@@H]1CCCOC1 ZINC000909545589 591652770 /nfs/dbraw/zinc/65/27/70/591652770.db2.gz MGKOJORLTQCGTC-RDDDGLTNSA-N -1 2 331.727 1.794 20 0 EDADLM C[C@@H](CN(Cc1ccccc1)C(=O)[C@H]1CCc2nn[nH]c2C1)C(=O)[O-] ZINC000908843808 592634346 /nfs/dbraw/zinc/63/43/46/592634346.db2.gz ZWDUQXFNEDPJBV-JSGCOSHPSA-N -1 2 342.399 1.659 20 0 EDADLM CO[C@@H]1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000909983126 592740195 /nfs/dbraw/zinc/74/01/95/592740195.db2.gz QWPIWZJNMXJBCA-KCJUWKMLSA-N -1 2 331.727 1.889 20 0 EDADLM CCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(C)n1 ZINC000737251835 593072730 /nfs/dbraw/zinc/07/27/30/593072730.db2.gz HLKZZKYVKASWTH-UHFFFAOYSA-N -1 2 327.337 1.621 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N3CC[C@@H](C(=O)[O-])C3)=N2)cc1 ZINC000820805246 593894333 /nfs/dbraw/zinc/89/43/33/593894333.db2.gz PAYJGDODUPSYIK-SNVBAGLBSA-N -1 2 331.328 1.133 20 0 EDADLM Cc1sc(NC(=O)C[NH+]2CCSCC2)c(-c2nn[nH]n2)c1C ZINC000822563211 594067520 /nfs/dbraw/zinc/06/75/20/594067520.db2.gz HKZYFOFHAALYCX-UHFFFAOYSA-N -1 2 338.462 1.532 20 0 EDADLM O=C(CCc1ccc(-c2nn[nH]n2)cc1)N[C@H]1CCCc2cn[nH]c21 ZINC000822978176 594130848 /nfs/dbraw/zinc/13/08/48/594130848.db2.gz DWRJUMADYKAONV-AWEZNQCLSA-N -1 2 337.387 1.716 20 0 EDADLM O=C1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)o2)CCCN1CC(F)(F)F ZINC000823512585 594212575 /nfs/dbraw/zinc/21/25/75/594212575.db2.gz OYWJZFZCVCGEAM-VIFPVBQESA-N -1 2 344.297 1.103 20 0 EDADLM Cn1c(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)nnc1C1CCC1 ZINC000825976531 594295370 /nfs/dbraw/zinc/29/53/70/594295370.db2.gz KNORVCNOKWOYRK-UHFFFAOYSA-N -1 2 338.419 1.895 20 0 EDADLM Cn1c(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)nnc1C1CCC1 ZINC000825976531 594295373 /nfs/dbraw/zinc/29/53/73/594295373.db2.gz KNORVCNOKWOYRK-UHFFFAOYSA-N -1 2 338.419 1.895 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)NCCSCC(=O)[O-])=N1 ZINC000830270408 594365702 /nfs/dbraw/zinc/36/57/02/594365702.db2.gz RVPYNGIAJNCKSN-UHFFFAOYSA-N -1 2 349.412 1.688 20 0 EDADLM CCC(CC)(CC(=O)[O-])NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000828790212 594503859 /nfs/dbraw/zinc/50/38/59/594503859.db2.gz UEEYYXUZOUUUBW-UHFFFAOYSA-N -1 2 348.359 1.508 20 0 EDADLM CC[C@@](NC(=O)C[C@@H]1SC(=N)NC1=O)(C(=O)[O-])c1ccccc1 ZINC000828926459 594531576 /nfs/dbraw/zinc/53/15/76/594531576.db2.gz WTBKUJOZBGJVDJ-BONVTDFDSA-N -1 2 335.385 1.049 20 0 EDADLM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ncc(C)o1 ZINC000831373631 594617607 /nfs/dbraw/zinc/61/76/07/594617607.db2.gz KHSCHSUCWHVTTB-UHFFFAOYSA-N -1 2 340.313 1.269 20 0 EDADLM Cc1n[nH]c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C ZINC000832990472 594789440 /nfs/dbraw/zinc/78/94/40/594789440.db2.gz BEYRWRQAHDAGQA-UHFFFAOYSA-N -1 2 331.300 1.804 20 0 EDADLM O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000833187174 594803284 /nfs/dbraw/zinc/80/32/84/594803284.db2.gz QLMKHLYOPFFCGO-MNOVXSKESA-N -1 2 331.328 1.859 20 0 EDADLM COc1cc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])ncn1 ZINC000833729336 594917410 /nfs/dbraw/zinc/91/74/10/594917410.db2.gz LFCRQSJZGNDFCH-UHFFFAOYSA-N -1 2 343.748 1.638 20 0 EDADLM Cc1ccc(NC(=O)CSCC(=O)NOCC[NH+](C)C)cc1 ZINC000833859313 594950622 /nfs/dbraw/zinc/95/06/22/594950622.db2.gz GKLDIERCKSEEAP-UHFFFAOYSA-N -1 2 325.434 1.276 20 0 EDADLM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)c(O)c1 ZINC000834258394 595072797 /nfs/dbraw/zinc/07/27/97/595072797.db2.gz PNQPNUNNPMZCJJ-QMMMGPOBSA-N -1 2 332.320 1.015 20 0 EDADLM CCC(F)(F)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852959227 595629898 /nfs/dbraw/zinc/62/98/98/595629898.db2.gz YRCXPWZEUYCLDZ-NKWVEPMBSA-N -1 2 346.252 1.154 20 0 EDADLM C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1ccc(O)c(Cl)c1 ZINC000876399478 597193372 /nfs/dbraw/zinc/19/33/72/597193372.db2.gz PGIKATGDQYFYJN-NEPJUHHUSA-N -1 2 341.839 1.954 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2[nH]c1=S ZINC000918395550 697160438 /nfs/dbraw/zinc/16/04/38/697160438.db2.gz PXOOAKAYBHVUNJ-GFCCVEGCSA-N -1 2 346.456 1.529 20 0 EDADLM O=C(NCC1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C1)c1ccoc1 ZINC001031547522 697232258 /nfs/dbraw/zinc/23/22/58/697232258.db2.gz SAOVHYKXQLLMEV-UHFFFAOYSA-N -1 2 328.372 1.514 20 0 EDADLM Cc1nc(C[N@@H+]2CC[C@H](NC(=O)c3c(C)nc[nH]c3=O)[C@@H](C)C2)co1 ZINC000942568854 703084046 /nfs/dbraw/zinc/08/40/46/703084046.db2.gz BCTPFPJTMVWRIM-HZMBPMFUSA-N -1 2 345.403 1.427 20 0 EDADLM CN(C(=O)C(C)(F)F)[C@H]1CC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001032871472 710574632 /nfs/dbraw/zinc/57/46/32/710574632.db2.gz IXZJROQYHJPCRE-LBPRGKRZSA-N -1 2 340.374 1.748 20 0 EDADLM O=C(c1cc(F)c(F)c([O-])c1F)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000559275254 306252768 /nfs/dbraw/zinc/25/27/68/306252768.db2.gz WJQZDDIVAJDZHJ-ZCFIWIBFSA-N -1 2 342.277 1.653 20 0 EDADLM C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000333101374 141264171 /nfs/dbraw/zinc/26/41/71/141264171.db2.gz CTVKBZJRTWEREA-PSLIRLAXSA-N -1 2 347.400 1.533 20 0 EDADLM CC(C)[C@H](C(=O)[O-])N1CC[C@@H](N=c2nc(C(C)(C)C)[nH]s2)C1=O ZINC000416442649 304318453 /nfs/dbraw/zinc/31/84/53/304318453.db2.gz FVECWTRSMQUXAD-NXEZZACHSA-N -1 2 340.449 1.380 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000355102148 150116620 /nfs/dbraw/zinc/11/66/20/150116620.db2.gz IVRZXWYBYUASAX-UHFFFAOYSA-N -1 2 346.368 1.710 20 0 EDADLM Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c(F)c1 ZINC000372347307 156347791 /nfs/dbraw/zinc/34/77/91/156347791.db2.gz RPILSKFIGCBPKY-UONOGXRCSA-N -1 2 342.436 1.666 20 0 EDADLM C[C@@H]1C[C@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000647903331 452644582 /nfs/dbraw/zinc/64/45/82/452644582.db2.gz XHJPRVBVIGKOLQ-SFYZADRCSA-N -1 2 338.355 1.332 20 0 EDADLM O=S(=O)(NCC[N@H+]1CC=CCC1)c1ccc(Cl)nc1Cl ZINC000280324777 273357195 /nfs/dbraw/zinc/35/71/95/273357195.db2.gz UGGFFYSKAQLNQU-UHFFFAOYSA-N -1 2 336.244 1.929 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000091021276 441650080 /nfs/dbraw/zinc/65/00/80/441650080.db2.gz QCJDNJYCZFSUPA-UHFFFAOYSA-N -1 2 327.337 1.621 20 0 EDADLM CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)NCC(F)(F)F)C1 ZINC000195242748 443000287 /nfs/dbraw/zinc/00/02/87/443000287.db2.gz UMYUAMRRTOOSGT-NSHDSACASA-N -1 2 345.431 1.873 20 0 EDADLM CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cn1 ZINC000436827784 320024500 /nfs/dbraw/zinc/02/45/00/320024500.db2.gz VFXSZYVCOPUKSS-UHFFFAOYSA-N -1 2 338.341 1.685 20 0 EDADLM COc1ccccc1[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000548531320 320884304 /nfs/dbraw/zinc/88/43/04/320884304.db2.gz ZFCCCPFCHPMYSS-XVKPBYJWSA-N -1 2 341.307 1.691 20 0 EDADLM COc1ncccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000319927954 444326657 /nfs/dbraw/zinc/32/66/57/444326657.db2.gz AJKAIQQTEIZVMQ-UHFFFAOYSA-N -1 2 336.369 1.908 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cs1 ZINC000340579967 444448002 /nfs/dbraw/zinc/44/80/02/444448002.db2.gz LEGFLTVTGBGUSA-UHFFFAOYSA-N -1 2 341.292 1.989 20 0 EDADLM C[NH+]1CCC(CNc2nc(C3CC3)ns2)(N2CCOCC2)CC1 ZINC000334110452 444784103 /nfs/dbraw/zinc/78/41/03/444784103.db2.gz BIJNCESVXLSPOG-UHFFFAOYSA-N -1 2 337.493 1.046 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cn1 ZINC000361980130 446124029 /nfs/dbraw/zinc/12/40/29/446124029.db2.gz HLIDPYSCZDHFKA-UHFFFAOYSA-N -1 2 343.336 1.168 20 0 EDADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccccc1O ZINC000433811384 446601932 /nfs/dbraw/zinc/60/19/32/446601932.db2.gz PSJUKYPBOAKGRG-UHFFFAOYSA-N -1 2 337.353 1.829 20 0 EDADLM CC(C)(C)OC(=O)NC(C(=O)[N-]OC1CCOCC1)C(F)(F)F ZINC000496904239 448019922 /nfs/dbraw/zinc/01/99/22/448019922.db2.gz UVYBDGXJSXOBHY-VIFPVBQESA-N -1 2 342.314 1.669 20 0 EDADLM C[C@@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C[C@H]1C(=O)[O-] ZINC000663058237 453664973 /nfs/dbraw/zinc/66/49/73/453664973.db2.gz SSDACMOXJWBNDA-ZWNOBZJWSA-N -1 2 347.346 1.900 20 0 EDADLM CCCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cn1 ZINC000743263132 579474470 /nfs/dbraw/zinc/47/44/70/579474470.db2.gz DYYJDBWZOXASAV-UHFFFAOYSA-N -1 2 339.373 1.801 20 0 EDADLM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000738168977 579167448 /nfs/dbraw/zinc/16/74/48/579167448.db2.gz PQIZREUZKGSKMR-UHFFFAOYSA-N -1 2 342.311 1.925 20 0 EDADLM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(-n3cc[nH+]c3)cc2)c1C(=O)[O-] ZINC000738337074 579187420 /nfs/dbraw/zinc/18/74/20/579187420.db2.gz FLBCNBYDIWWBGS-UHFFFAOYSA-N -1 2 347.356 1.403 20 0 EDADLM CCc1ncc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)s1 ZINC000763373836 580098901 /nfs/dbraw/zinc/09/89/01/580098901.db2.gz MFDSPQKBFDKKSX-UHFFFAOYSA-N -1 2 328.371 1.910 20 0 EDADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000765099663 580135279 /nfs/dbraw/zinc/13/52/79/580135279.db2.gz WXOOKEGUYWZAGQ-UHFFFAOYSA-N -1 2 331.737 1.278 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cccc(C(F)F)c2)c1C(=O)[O-] ZINC000780396652 580521355 /nfs/dbraw/zinc/52/13/55/580521355.db2.gz CZNNBHYYXPKSSH-UHFFFAOYSA-N -1 2 331.300 1.857 20 0 EDADLM O=C(NCC1C[NH+](Cc2cnn(CC3CCC3)c2)C1)C(F)(F)F ZINC000895879750 591293699 /nfs/dbraw/zinc/29/36/99/591293699.db2.gz NRXOFROIHYPMGH-UHFFFAOYSA-N -1 2 330.354 1.794 20 0 EDADLM CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2cccc3c2OCCO3)[n-]1 ZINC000895235166 591670772 /nfs/dbraw/zinc/67/07/72/591670772.db2.gz LTDUFOXNPIXVFA-JTQLQIEISA-N -1 2 332.360 1.603 20 0 EDADLM CCOC(=O)c1n[nH]c([C@H](C)[NH2+]Cc2cccc3c2OCCO3)n1 ZINC000895235166 591670774 /nfs/dbraw/zinc/67/07/74/591670774.db2.gz LTDUFOXNPIXVFA-JTQLQIEISA-N -1 2 332.360 1.603 20 0 EDADLM CCCS(=O)(=O)[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000810591184 593414755 /nfs/dbraw/zinc/41/47/55/593414755.db2.gz JJEWMKRABNUTGW-SSDOTTSWSA-N -1 2 348.343 1.298 20 0 EDADLM Cn1nc(NS(=O)(=O)CCOc2ccc(F)cc2)cc1C(=O)[O-] ZINC000821089199 593962770 /nfs/dbraw/zinc/96/27/70/593962770.db2.gz FENKFHVJTWZIHY-UHFFFAOYSA-N -1 2 343.336 1.078 20 0 EDADLM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 ZINC000826112915 594335542 /nfs/dbraw/zinc/33/55/42/594335542.db2.gz AIIYKKFLNVOQLC-JTQLQIEISA-N -1 2 335.385 1.544 20 0 EDADLM CC(C)(C(=O)[O-])c1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 ZINC000826112915 594335544 /nfs/dbraw/zinc/33/55/44/594335544.db2.gz AIIYKKFLNVOQLC-JTQLQIEISA-N -1 2 335.385 1.544 20 0 EDADLM CCc1cc(NS(=O)(=O)c2sc(C(=O)[O-])cc2OC)n(C)n1 ZINC000830224631 594358172 /nfs/dbraw/zinc/35/81/72/594358172.db2.gz SVFYKZXMODUKBA-UHFFFAOYSA-N -1 2 345.402 1.552 20 0 EDADLM C[C@H]1CC/C(=C/C(=O)NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828201567 594363943 /nfs/dbraw/zinc/36/39/43/594363943.db2.gz UNKJRFATFZTPHZ-FZGDARCMSA-N -1 2 329.399 1.998 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])s1 ZINC000830335260 594377238 /nfs/dbraw/zinc/37/72/38/594377238.db2.gz KDSJQMQEEVAAHA-UHFFFAOYSA-N -1 2 331.350 1.739 20 0 EDADLM COCc1cccc(S(=O)(=O)Nc2csnc2C(=O)[O-])c1 ZINC000831822261 594705502 /nfs/dbraw/zinc/70/55/02/594705502.db2.gz ZNFPXBLNMXPHKX-UHFFFAOYSA-N -1 2 328.371 1.789 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2nnc(C(F)F)s2)cc1C(=O)[O-] ZINC000833055700 594794738 /nfs/dbraw/zinc/79/47/38/594794738.db2.gz MMIIEVSPXKLWMK-UHFFFAOYSA-N -1 2 338.317 1.313 20 0 EDADLM N=C1NC(=O)C(CC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)S1 ZINC000833089702 594797009 /nfs/dbraw/zinc/79/70/09/594797009.db2.gz UZEQINYVVPNLTJ-LDYMZIIASA-N -1 2 333.369 1.148 20 0 EDADLM N=C1NC(=O)[C@@H](CC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)S1 ZINC000833089702 594797010 /nfs/dbraw/zinc/79/70/10/594797010.db2.gz UZEQINYVVPNLTJ-LDYMZIIASA-N -1 2 333.369 1.148 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)N[C@@H]2CCCCCC[C@H]2C(=O)[O-])S1 ZINC000833089740 594797065 /nfs/dbraw/zinc/79/70/65/594797065.db2.gz WTZIVHAJKDEOFH-BBBLOLIVSA-N -1 2 327.406 1.083 20 0 EDADLM O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000833108259 594798719 /nfs/dbraw/zinc/79/87/19/594798719.db2.gz DJRFLCGHHRODKU-KRWDZBQOSA-N -1 2 340.379 1.746 20 0 EDADLM O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000833108259 594798720 /nfs/dbraw/zinc/79/87/20/594798720.db2.gz DJRFLCGHHRODKU-KRWDZBQOSA-N -1 2 340.379 1.746 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000833347021 594831596 /nfs/dbraw/zinc/83/15/96/594831596.db2.gz ZRXAJPKOWYHKHF-UHFFFAOYSA-N -1 2 346.361 1.990 20 0 EDADLM CCc1nc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)no1 ZINC000833675352 594903560 /nfs/dbraw/zinc/90/35/60/594903560.db2.gz MWCAOOKMDRHGRH-UHFFFAOYSA-N -1 2 325.346 1.748 20 0 EDADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000833741724 594919813 /nfs/dbraw/zinc/91/98/13/594919813.db2.gz VVLCNDAKHGMFOQ-UHFFFAOYSA-N -1 2 340.382 1.654 20 0 EDADLM O=C([O-])N[C@@H](CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C1CC1 ZINC000834147552 595028589 /nfs/dbraw/zinc/02/85/89/595028589.db2.gz QKFIXWDSJAJDNX-LBPRGKRZSA-N -1 2 348.334 1.493 20 0 EDADLM O=C([O-])NC[C@@H]([NH2+]Cc1n[nH]c(=O)[n-]1)c1ccc2ccccc2c1 ZINC000834204806 595051853 /nfs/dbraw/zinc/05/18/53/595051853.db2.gz BCEQDRRFSFUCCI-CYBMUJFWSA-N -1 2 327.344 1.762 20 0 EDADLM C[C@@H]1C[N@H+](CCNC(=O)NCc2ccc(O)c(Cl)c2)[C@H](C)CO1 ZINC000876399482 597193274 /nfs/dbraw/zinc/19/32/74/597193274.db2.gz PGIKATGDQYFYJN-VXGBXAGGSA-N -1 2 341.839 1.954 20 0 EDADLM O=C([O-])c1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000321408791 600513835 /nfs/dbraw/zinc/51/38/35/600513835.db2.gz KLJJBXWEEZHPMJ-UHFFFAOYSA-N -1 2 341.276 1.628 20 0 EDADLM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnccc1C(=O)[O-] ZINC000391324136 600515396 /nfs/dbraw/zinc/51/53/96/600515396.db2.gz SKDJZWWXRPWITH-UHFFFAOYSA-N -1 2 337.313 1.797 20 0 EDADLM C[C@H](NS(=O)(=O)c1ccc(C(F)F)o1)[C@@H]1C[N@H+](C)CCN1C ZINC000919981150 697377328 /nfs/dbraw/zinc/37/73/28/697377328.db2.gz IPIHUBLPGXSOKJ-UWVGGRQHSA-N -1 2 337.392 1.130 20 0 EDADLM Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000227864509 139022772 /nfs/dbraw/zinc/02/27/72/139022772.db2.gz ZLZMGRAYFNFKIL-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000187740403 272952544 /nfs/dbraw/zinc/95/25/44/272952544.db2.gz UGGIBKLMZHMLDA-SECBINFHSA-N -1 2 338.389 1.692 20 0 EDADLM C[NH+](CC(=O)[O-])C[C@H]1C[N@H+](CCCc2ccc(Cl)cc2)CCO1 ZINC000262806652 139305079 /nfs/dbraw/zinc/30/50/79/139305079.db2.gz FPIBKZDXLMJDHO-INIZCTEOSA-N -1 2 340.851 1.990 20 0 EDADLM CCn1nccc1S(=O)(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000471986205 255019032 /nfs/dbraw/zinc/01/90/32/255019032.db2.gz WILHWYSNTUUGHG-LLVKDONJSA-N -1 2 337.401 1.967 20 0 EDADLM COCCn1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000357515373 151053571 /nfs/dbraw/zinc/05/35/71/151053571.db2.gz GUICDAAKORETEK-UHFFFAOYSA-N -1 2 325.346 1.029 20 0 EDADLM Cn1c(=O)c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)O4)cc2[n-]c1=S ZINC000374097526 157141155 /nfs/dbraw/zinc/14/11/55/157141155.db2.gz RAPMDOZQRSXOLQ-PHIMTYICSA-N -1 2 331.397 1.226 20 0 EDADLM CCCn1[nH]ccc1=NC(=O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000374619223 157347443 /nfs/dbraw/zinc/34/74/43/157347443.db2.gz JHOPIRFWWIJHJF-OSGFXRFRSA-N -1 2 328.416 1.637 20 0 EDADLM Cn1nc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1C1CC1 ZINC000290533165 288913081 /nfs/dbraw/zinc/91/30/81/288913081.db2.gz OLXBMBZIZHKAAA-UHFFFAOYSA-N -1 2 339.348 1.936 20 0 EDADLM COCCn1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC000299600976 303635224 /nfs/dbraw/zinc/63/52/24/303635224.db2.gz MSOPJAITXFORNR-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM O=C([O-])c1cccc(NS(=O)(=O)c2cccc3c2OCO3)c1O ZINC000436527004 305159836 /nfs/dbraw/zinc/15/98/36/305159836.db2.gz KFFYNJCTAFKZJZ-UHFFFAOYSA-N -1 2 337.309 1.620 20 0 EDADLM COc1ccc(OC)c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000314318595 444300178 /nfs/dbraw/zinc/30/01/78/444300178.db2.gz HFGBGFABLOSXIB-UHFFFAOYSA-N -1 2 326.330 1.531 20 0 EDADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cnc3n2CCC3)c1 ZINC000362278998 446301188 /nfs/dbraw/zinc/30/11/88/446301188.db2.gz PNTOPFJBPXKZSQ-UHFFFAOYSA-N -1 2 337.357 1.337 20 0 EDADLM COCC[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H](C)C(N)=O ZINC000459342762 447640221 /nfs/dbraw/zinc/64/02/21/447640221.db2.gz HDWLLFFXMDRTQN-GFCCVEGCSA-N -1 2 330.388 1.171 20 0 EDADLM COCC1(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])cc2OC)CC1 ZINC000568002415 448799778 /nfs/dbraw/zinc/79/97/78/448799778.db2.gz ABNPEJGQUVHAEE-UHFFFAOYSA-N -1 2 333.337 1.453 20 0 EDADLM O=C([O-])CCCS(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000656179887 452940303 /nfs/dbraw/zinc/94/03/03/452940303.db2.gz BXHHXNXHKULJHM-IUCAKERBSA-N -1 2 333.328 1.271 20 0 EDADLM C[C@@H](CNC(=O)CCc1ccc(-c2nn[nH]n2)cc1)Cn1cc[nH+]c1 ZINC000736013483 578946650 /nfs/dbraw/zinc/94/66/50/578946650.db2.gz FDOXRZVQFYLIKW-ZDUSSCGKSA-N -1 2 339.403 1.448 20 0 EDADLM CSc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000738212166 579172869 /nfs/dbraw/zinc/17/28/69/579172869.db2.gz JYHPBIMJVUATJU-UHFFFAOYSA-N -1 2 327.387 1.490 20 0 EDADLM C[C@@H](OC(C)(C)C)[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000790587278 580773405 /nfs/dbraw/zinc/77/34/05/580773405.db2.gz NDALTJPZYUZOPY-CSMHCCOUSA-N -1 2 335.344 1.513 20 0 EDADLM CO[C@H]1CN(C(=O)c2cc(F)c(O)c(Cl)c2)[C@](C)(C(=O)[O-])C1 ZINC000910264060 592812778 /nfs/dbraw/zinc/81/27/78/592812778.db2.gz NHJICRQYUFQKLN-CLAHSXSESA-N -1 2 331.727 1.889 20 0 EDADLM O=C(Nn1c(=O)[n-][nH]c1=O)c1csc(Cc2ccccc2F)n1 ZINC000816733546 593544669 /nfs/dbraw/zinc/54/46/69/593544669.db2.gz BOIZMKHIPKZMMC-UHFFFAOYSA-N -1 2 335.320 1.260 20 0 EDADLM CCOCC[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000821378116 594032542 /nfs/dbraw/zinc/03/25/42/594032542.db2.gz IVZUTAGQAUIVKM-UHFFFAOYSA-N -1 2 336.396 1.373 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)CC2(NC(=O)[O-])CCC2)c(C)s1 ZINC000830133374 594342278 /nfs/dbraw/zinc/34/22/78/594342278.db2.gz SFDWNLBDJTYISJ-UHFFFAOYSA-N -1 2 346.430 1.750 20 0 EDADLM COc1cc(OC)cc(S(=O)(=O)Nc2csnc2C(=O)[O-])c1 ZINC000832095881 594725944 /nfs/dbraw/zinc/72/59/44/594725944.db2.gz NSUXZIHHIKGWGD-UHFFFAOYSA-N -1 2 344.370 1.659 20 0 EDADLM O=C([O-])N[C@@H]1CCC[C@H](C(=O)NS(=O)(=O)c2ccsc2)C1 ZINC000832323156 594742719 /nfs/dbraw/zinc/74/27/19/594742719.db2.gz BNANZZYBZYKWGL-DTWKUNHWSA-N -1 2 332.403 1.379 20 0 EDADLM COc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])c(C)n1 ZINC000832419550 594749058 /nfs/dbraw/zinc/74/90/58/594749058.db2.gz MCUVDEMCIQGJKQ-UHFFFAOYSA-N -1 2 329.359 1.354 20 0 EDADLM O=C([O-])Nc1ccc(CC(=O)NS(=O)(=O)c2ccsc2)cc1 ZINC000832841662 594780223 /nfs/dbraw/zinc/78/02/23/594780223.db2.gz KBIWGXTURTVVFK-UHFFFAOYSA-N -1 2 340.382 1.886 20 0 EDADLM Cc1noc(C)c1S(=O)(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000833022997 594792148 /nfs/dbraw/zinc/79/21/48/594792148.db2.gz OCORPCHOJGDWQJ-UHFFFAOYSA-N -1 2 346.390 1.351 20 0 EDADLM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000833033306 594792853 /nfs/dbraw/zinc/79/28/53/594792853.db2.gz ASBCIINHGDYVOZ-UHFFFAOYSA-N -1 2 330.343 1.247 20 0 EDADLM Cn1cc(NS(=O)(=O)c2c(F)cc(F)cc2F)cc1C(=O)[O-] ZINC000833050921 594794349 /nfs/dbraw/zinc/79/43/49/594794349.db2.gz OSXITXXIXAOIIH-UHFFFAOYSA-N -1 2 334.275 1.941 20 0 EDADLM N=C1NC(=O)[C@@H](CC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)S1 ZINC000833089546 594796977 /nfs/dbraw/zinc/79/69/77/594796977.db2.gz RCWBHWRCSIRHLC-GHMZBOCLSA-N -1 2 335.385 1.265 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)Nc2ccc(OCCC(=O)[O-])cc2)S1 ZINC000833088896 594797061 /nfs/dbraw/zinc/79/70/61/594797061.db2.gz JJHRIVJDCHQBJB-JTQLQIEISA-N -1 2 337.357 1.035 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2ccc(OCCC(=O)[O-])cc2)S1 ZINC000833088896 594797062 /nfs/dbraw/zinc/79/70/62/594797062.db2.gz JJHRIVJDCHQBJB-JTQLQIEISA-N -1 2 337.357 1.035 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)cn1 ZINC000833275177 594818504 /nfs/dbraw/zinc/81/85/04/594818504.db2.gz ULRBWZAGGZKYMR-UHFFFAOYSA-N -1 2 331.737 1.128 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000833346315 594831759 /nfs/dbraw/zinc/83/17/59/594831759.db2.gz NEIRXVZLPDEZMJ-UHFFFAOYSA-N -1 2 341.326 1.489 20 0 EDADLM O=C(c1ccccc1O)N1CC[NH+](C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000878252770 597590115 /nfs/dbraw/zinc/59/01/15/597590115.db2.gz UPKAHTAGNYRDHT-HNNXBMFYSA-N -1 2 348.443 1.206 20 0 EDADLM Cn1[nH]c(C[N@@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)nc1=O ZINC000880277758 597890667 /nfs/dbraw/zinc/89/06/67/597890667.db2.gz PAVRATGHLGSVIA-AWEZNQCLSA-N -1 2 338.415 1.878 20 0 EDADLM Cc1ccc([C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])cc1 ZINC000275158784 540058087 /nfs/dbraw/zinc/05/80/87/540058087.db2.gz ZUDXDMIWCHJYBO-WCBMZHEXSA-N -1 2 325.308 1.991 20 0 EDADLM Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000227864330 139022645 /nfs/dbraw/zinc/02/26/45/139022645.db2.gz KKDGSOMWRSKBIK-UHFFFAOYSA-N -1 2 329.765 1.501 20 0 EDADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cnn(C)c1C ZINC000427104241 254502785 /nfs/dbraw/zinc/50/27/85/254502785.db2.gz YFCCKSRTKOGJGT-UHFFFAOYSA-N -1 2 341.414 1.949 20 0 EDADLM CCCCOc1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1OC ZINC000355329649 150219767 /nfs/dbraw/zinc/21/97/67/150219767.db2.gz WCEFHXYSTBDLMR-AWEZNQCLSA-N -1 2 347.415 1.610 20 0 EDADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)[C@@H]2CCCOC2)c1OC ZINC000275083303 268277884 /nfs/dbraw/zinc/27/78/84/268277884.db2.gz ZGFYGVAVEPBVFS-SNVBAGLBSA-N -1 2 345.373 1.323 20 0 EDADLM O=C([O-])c1cccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC000269674188 443390934 /nfs/dbraw/zinc/39/09/34/443390934.db2.gz CDQFYEGXBBQDEL-GFCCVEGCSA-N -1 2 337.357 1.344 20 0 EDADLM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(F)cc(Cl)c2O)C1=O ZINC000278674737 443398631 /nfs/dbraw/zinc/39/86/31/443398631.db2.gz INDNNZBWEFJRTA-ZDUSSCGKSA-N -1 2 329.715 1.550 20 0 EDADLM CC(C)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000267504783 443479343 /nfs/dbraw/zinc/47/93/43/443479343.db2.gz NACWFCKHVWTHAQ-UHFFFAOYSA-N -1 2 339.373 1.744 20 0 EDADLM CCCOC(=O)[C@@H](C)[NH+]1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 ZINC000277827769 444046354 /nfs/dbraw/zinc/04/63/54/444046354.db2.gz RIVKYKKGSINDSM-LLVKDONJSA-N -1 2 338.408 1.503 20 0 EDADLM O=C([O-])CN(C(=O)c1cc(F)c(F)c(O)c1F)C1CCOCC1 ZINC000577221257 321634379 /nfs/dbraw/zinc/63/43/79/321634379.db2.gz KCVALEQRVINRCK-UHFFFAOYSA-N -1 2 333.262 1.515 20 0 EDADLM CCCNC(=O)C[N@@H+](CCC)CC(=O)NC(=O)c1ccc(OC)cc1 ZINC000298063387 444402578 /nfs/dbraw/zinc/40/25/78/444402578.db2.gz IYLIOQVRCWBNFA-UHFFFAOYSA-N -1 2 349.431 1.190 20 0 EDADLM Cn1ncc2c1[nH]cc(C(=O)N1CC3(CCC3)[C@H]1[C@H]1CCCO1)c2=O ZINC000365686704 446300532 /nfs/dbraw/zinc/30/05/32/446300532.db2.gz BERRCKBOVSOING-UKRRQHHQSA-N -1 2 342.399 1.848 20 0 EDADLM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)[nH+]cc2C)cc1F ZINC000522059217 449048224 /nfs/dbraw/zinc/04/82/24/449048224.db2.gz QQEGHGBXZCFFOA-UHFFFAOYSA-N -1 2 338.360 1.847 20 0 EDADLM Cc1nc(CNS(=O)(=O)[C@@H](C)C(F)(F)F)sc1C(=O)[O-] ZINC000548528823 449055294 /nfs/dbraw/zinc/05/52/94/449055294.db2.gz OPIUDMKYABUOQR-YFKPBYRVSA-N -1 2 332.325 1.520 20 0 EDADLM CC(C)C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C(=O)[O-] ZINC000663024104 453650790 /nfs/dbraw/zinc/65/07/90/453650790.db2.gz SKEFPZKDTQEOEK-GFCCVEGCSA-N -1 2 335.335 1.946 20 0 EDADLM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000663058504 453664992 /nfs/dbraw/zinc/66/49/92/453664992.db2.gz ZUHCVUCOOPWXSY-GHMZBOCLSA-N -1 2 347.346 1.900 20 0 EDADLM O=C(CC1CCN(C(=O)[O-])CC1)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000740349240 579334565 /nfs/dbraw/zinc/33/45/65/579334565.db2.gz HZQZJQZHNGWGBL-UHFFFAOYSA-N -1 2 346.343 1.749 20 0 EDADLM Cc1cn2cc([N-]S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])ccc2[nH+]1 ZINC000738331280 579186997 /nfs/dbraw/zinc/18/69/97/579186997.db2.gz QEPPFNUBNXMXPY-UHFFFAOYSA-N -1 2 335.345 1.173 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000776562347 580420708 /nfs/dbraw/zinc/42/07/08/580420708.db2.gz PMPBQUFPDOPMHB-GXSJLCMTSA-N -1 2 339.335 1.800 20 0 EDADLM CC(C)(NC(=O)C(F)(F)F)C(=O)[N-]OCCOc1ccccc1 ZINC000889446859 590923550 /nfs/dbraw/zinc/92/35/50/590923550.db2.gz WYVAWZRLLRTSLR-UHFFFAOYSA-N -1 2 334.294 1.570 20 0 EDADLM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000908581081 592537517 /nfs/dbraw/zinc/53/75/17/592537517.db2.gz AWZWJRLIFDWJQO-ZDUSSCGKSA-N -1 2 328.372 1.413 20 0 EDADLM CO[C@@H]1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)[C@@H](C(=O)[O-])C1 ZINC000909983128 592740083 /nfs/dbraw/zinc/74/00/83/592740083.db2.gz QWPIWZJNMXJBCA-LDYMZIIASA-N -1 2 331.727 1.889 20 0 EDADLM CC(C)n1cc(S(=O)(=O)Nc2ccc(NC(=O)[O-])nc2)cn1 ZINC000824519883 594030201 /nfs/dbraw/zinc/03/02/01/594030201.db2.gz ACKAVOFVJLJIMD-UHFFFAOYSA-N -1 2 325.350 1.750 20 0 EDADLM Cc1sc(NC(=O)C[N@@H+](C)[C@@H]2CCOC2)c(-c2nn[nH]n2)c1C ZINC000822559043 594066758 /nfs/dbraw/zinc/06/67/58/594066758.db2.gz UYJIMQGZMUVPDF-SNVBAGLBSA-N -1 2 336.421 1.204 20 0 EDADLM Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCOC2)c(-c2nn[nH]n2)c1C ZINC000822559043 594066759 /nfs/dbraw/zinc/06/67/59/594066759.db2.gz UYJIMQGZMUVPDF-SNVBAGLBSA-N -1 2 336.421 1.204 20 0 EDADLM CC(=O)c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000825956919 594291086 /nfs/dbraw/zinc/29/10/86/594291086.db2.gz HPQCINZBBPAKMK-UHFFFAOYSA-N -1 2 326.355 1.845 20 0 EDADLM CCCC[C@@H](CNC(=O)[O-])NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000826799610 594578215 /nfs/dbraw/zinc/57/82/15/594578215.db2.gz BUQKPJKXUTXOCM-LBPRGKRZSA-N -1 2 348.359 1.586 20 0 EDADLM N=C1NC(=O)C(CC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)S1 ZINC000833089700 594797054 /nfs/dbraw/zinc/79/70/54/594797054.db2.gz UZEQINYVVPNLTJ-KCJUWKMLSA-N -1 2 333.369 1.148 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)S1 ZINC000833089700 594797055 /nfs/dbraw/zinc/79/70/55/594797055.db2.gz UZEQINYVVPNLTJ-KCJUWKMLSA-N -1 2 333.369 1.148 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)NC(=O)CCOCC1CC1 ZINC000833103375 594797825 /nfs/dbraw/zinc/79/78/25/594797825.db2.gz XUBMXFBJAHVVSY-UHFFFAOYSA-N -1 2 333.387 1.068 20 0 EDADLM O=C([O-])c1cc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)ccn1 ZINC000833153424 594801533 /nfs/dbraw/zinc/80/15/33/594801533.db2.gz NMCFIDZRNZIUFG-UHFFFAOYSA-N -1 2 326.268 1.375 20 0 EDADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc2[nH]nnc2c1 ZINC000833295444 594822107 /nfs/dbraw/zinc/82/21/07/594822107.db2.gz WWEPVDTZHUFPIS-UHFFFAOYSA-N -1 2 336.304 1.596 20 0 EDADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc2n[nH]nc2c1 ZINC000833295444 594822108 /nfs/dbraw/zinc/82/21/08/594822108.db2.gz WWEPVDTZHUFPIS-UHFFFAOYSA-N -1 2 336.304 1.596 20 0 EDADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc2nn[nH]c2c1 ZINC000833295444 594822110 /nfs/dbraw/zinc/82/21/10/594822110.db2.gz WWEPVDTZHUFPIS-UHFFFAOYSA-N -1 2 336.304 1.596 20 0 EDADLM CC(C)(C)n1cnc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000833452276 594850387 /nfs/dbraw/zinc/85/03/87/594850387.db2.gz UFTUDCIDUIJVQS-UHFFFAOYSA-N -1 2 342.352 1.671 20 0 EDADLM COc1ccc(O)c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000833734026 594918145 /nfs/dbraw/zinc/91/81/45/594918145.db2.gz ZTCLBFITJOVFRI-UHFFFAOYSA-N -1 2 326.330 1.238 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)o1 ZINC000833751211 594921818 /nfs/dbraw/zinc/92/18/18/594921818.db2.gz RESXYKDQJNXMLD-UHFFFAOYSA-N -1 2 331.375 1.648 20 0 EDADLM O=C([O-])c1csc(NS(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000833784553 594928573 /nfs/dbraw/zinc/92/85/73/594928573.db2.gz BMLIGLRBHOBMIC-UHFFFAOYSA-N -1 2 327.339 1.976 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(F)c(C)c1C(=O)[O-] ZINC000842587541 595133325 /nfs/dbraw/zinc/13/33/25/595133325.db2.gz APGLMBCGZFARIO-UHFFFAOYSA-N -1 2 341.364 1.983 20 0 EDADLM CCO[N-]C(=O)CNC(=O)c1cc(Br)c(F)cc1O ZINC000846490781 595249197 /nfs/dbraw/zinc/24/91/97/595249197.db2.gz LDMAYEYWWCBGJN-UHFFFAOYSA-N -1 2 335.129 1.091 20 0 EDADLM CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)C1=O ZINC000852757300 595528760 /nfs/dbraw/zinc/52/87/60/595528760.db2.gz BRLZNOJMAIUOHJ-GRYCIOLGSA-N -1 2 335.370 1.385 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1Cl ZINC000386381518 600674118 /nfs/dbraw/zinc/67/41/18/600674118.db2.gz IGDZKIMIGZIXCV-UHFFFAOYSA-N -1 2 345.764 1.431 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2N2CCCC2)c[nH]1 ZINC000319708681 600978395 /nfs/dbraw/zinc/97/83/95/600978395.db2.gz NTRZSMZJGYBNIA-UHFFFAOYSA-N -1 2 336.373 1.509 20 0 EDADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]nnc2c1 ZINC000353825893 250085067 /nfs/dbraw/zinc/08/50/67/250085067.db2.gz MAQSLAUZKUTHSD-UHFFFAOYSA-N -1 2 348.340 1.466 20 0 EDADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2n[nH]nc2c1 ZINC000353825893 250085069 /nfs/dbraw/zinc/08/50/69/250085069.db2.gz MAQSLAUZKUTHSD-UHFFFAOYSA-N -1 2 348.340 1.466 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)CCOCC1CC1 ZINC000424059692 304926551 /nfs/dbraw/zinc/92/65/51/304926551.db2.gz GJFLQASQCVRBLY-UHFFFAOYSA-N -1 2 347.364 1.701 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000525238972 305824690 /nfs/dbraw/zinc/82/46/90/305824690.db2.gz AGNRAHWWYNPGRC-VIFPVBQESA-N -1 2 347.364 1.843 20 0 EDADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000547964732 306116056 /nfs/dbraw/zinc/11/60/56/306116056.db2.gz DLAQTRJQUXIXAO-UHFFFAOYSA-N -1 2 345.327 1.956 20 0 EDADLM Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)o1 ZINC000571740913 321398946 /nfs/dbraw/zinc/39/89/46/321398946.db2.gz CDLRHIVLIOSVLG-SFHVURJKSA-N -1 2 340.383 1.824 20 0 EDADLM O=C(c1ccc2c(=O)[nH]c(=S)[nH]c2c1)N1CC[NH+]2CCC1CC2 ZINC000373763408 446329118 /nfs/dbraw/zinc/32/91/18/446329118.db2.gz PFKQBMYYBMKMLU-UHFFFAOYSA-N -1 2 330.413 1.544 20 0 EDADLM CCCn1ncc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C1CC1 ZINC000451094332 447682060 /nfs/dbraw/zinc/68/20/60/447682060.db2.gz PIHREGMBUASQHX-UHFFFAOYSA-N -1 2 338.389 1.998 20 0 EDADLM COc1ccc(CNS(=O)(=O)CC(F)(F)F)cc1C(=O)[O-] ZINC000578646943 448603622 /nfs/dbraw/zinc/60/36/22/448603622.db2.gz SWXNATPVFTVMHI-UHFFFAOYSA-N -1 2 327.280 1.375 20 0 EDADLM C[S@@](=O)Cc1ccc(CNC(=O)c2cccc3[nH]nnc32)cc1 ZINC000574107041 448793446 /nfs/dbraw/zinc/79/34/46/448793446.db2.gz CSNUVLZRIYNNLW-HSZRJFAPSA-N -1 2 328.397 1.766 20 0 EDADLM COc1ccc(NS(=O)(=O)c2c[nH]nc2C)cc1NC(=O)[O-] ZINC000739925198 578372003 /nfs/dbraw/zinc/37/20/03/578372003.db2.gz IJVXOCUMADRFMW-UHFFFAOYSA-N -1 2 326.334 1.617 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)c[n-]c2[nH+]1 ZINC000740152456 579294216 /nfs/dbraw/zinc/29/42/16/579294216.db2.gz DSFFJRQHLAHCMB-NSHDSACASA-N -1 2 344.371 1.716 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)c[nH]c2n1 ZINC000740152456 579294218 /nfs/dbraw/zinc/29/42/18/579294218.db2.gz DSFFJRQHLAHCMB-NSHDSACASA-N -1 2 344.371 1.716 20 0 EDADLM Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnc(Cl)n1C ZINC000765050514 580133983 /nfs/dbraw/zinc/13/39/83/580133983.db2.gz YRWYEYGZOWKBFO-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM O=C([O-])C1(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)CCC1 ZINC000905037640 592374400 /nfs/dbraw/zinc/37/44/00/592374400.db2.gz OKIXWFLBYLIMEE-RKDXNWHRSA-N -1 2 345.339 1.413 20 0 EDADLM C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736587730 593019372 /nfs/dbraw/zinc/01/93/72/593019372.db2.gz ZUHYVKONWNUIJI-CYBMUJFWSA-N -1 2 346.431 1.046 20 0 EDADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)c1 ZINC000808125236 593225499 /nfs/dbraw/zinc/22/54/99/593225499.db2.gz OVYGVSCOASUANQ-UHFFFAOYSA-N -1 2 339.350 1.918 20 0 EDADLM CCc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)nn1C ZINC000817353882 593594330 /nfs/dbraw/zinc/59/43/30/593594330.db2.gz WGUGVLMSPPKFQA-UHFFFAOYSA-N -1 2 339.373 1.247 20 0 EDADLM O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)cc1 ZINC000821546099 593861479 /nfs/dbraw/zinc/86/14/79/593861479.db2.gz XWAMXYMLIYYECJ-UHFFFAOYSA-N -1 2 325.280 1.980 20 0 EDADLM CCO[C@@H](CC(=O)NS(=O)(=O)c1ccsc1C(=O)[O-])C(C)C ZINC000829913533 594291178 /nfs/dbraw/zinc/29/11/78/594291178.db2.gz ZXMKPWOLLQMKJS-VIFPVBQESA-N -1 2 349.430 1.702 20 0 EDADLM CCn1cc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cn1 ZINC000830423999 594393606 /nfs/dbraw/zinc/39/36/06/594393606.db2.gz CYJYFZBIZZPPCK-UHFFFAOYSA-N -1 2 330.753 1.450 20 0 EDADLM CC(C)Cc1ccc(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)cc1 ZINC000826913077 594600715 /nfs/dbraw/zinc/60/07/15/594600715.db2.gz OMARVLIDEZLHNS-UHFFFAOYSA-N -1 2 338.389 1.362 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)NCCCCCC(=O)[O-])=N2)cc1 ZINC000832138947 594729634 /nfs/dbraw/zinc/72/96/34/594729634.db2.gz URHVRTCGHYGVOQ-UHFFFAOYSA-N -1 2 347.371 1.961 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)c(Cl)cc1F ZINC000832904280 594784287 /nfs/dbraw/zinc/78/42/87/594784287.db2.gz DNSHEIIQWVTRFA-UHFFFAOYSA-N -1 2 347.755 1.869 20 0 EDADLM O=C([O-])Cn1cnc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000833277547 594819451 /nfs/dbraw/zinc/81/94/51/594819451.db2.gz RSCHBYWWCXUDNE-WAYWQWQTSA-N -1 2 342.764 1.429 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)cc1 ZINC000833324596 594827716 /nfs/dbraw/zinc/82/77/16/594827716.db2.gz XCQFYOJNGIETHO-UHFFFAOYSA-N -1 2 335.313 1.975 20 0 EDADLM O=C([O-])C1(O)CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000833785622 594928767 /nfs/dbraw/zinc/92/87/67/594928767.db2.gz JTBWJTPRABBVAB-UHFFFAOYSA-N -1 2 334.155 1.751 20 0 EDADLM O=C([O-])N1CCC2(C[C@H]2C(=O)NS(=O)(=O)c2ccsc2)CC1 ZINC000834051967 595001278 /nfs/dbraw/zinc/00/12/78/595001278.db2.gz YCFLCJSTUWATGO-JTQLQIEISA-N -1 2 344.414 1.333 20 0 EDADLM O=C([O-])N[C@H](CNC(=O)C1=NN(c2ccccc2)CC1=O)C1CC1 ZINC000834147206 595028184 /nfs/dbraw/zinc/02/81/84/595028184.db2.gz OOMIQXFCTOAZHI-GFCCVEGCSA-N -1 2 330.344 1.354 20 0 EDADLM Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(NC(=O)N3CCOCC3)CC2)n1 ZINC000852189349 596078367 /nfs/dbraw/zinc/07/83/67/596078367.db2.gz DUYKVEIUBGKONR-CYBMUJFWSA-N -1 2 349.435 1.058 20 0 EDADLM Cc1nnc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000123511466 596480443 /nfs/dbraw/zinc/48/04/43/596480443.db2.gz UJQXVMYCXRNWRO-UHFFFAOYSA-N -1 2 329.359 1.111 20 0 EDADLM Cn1cc(S(=O)(=O)NC(=O)C2(C(=O)[O-])CCC2)c2ccccc21 ZINC000863956537 596729193 /nfs/dbraw/zinc/72/91/93/596729193.db2.gz ABMOYTKOYNHITL-UHFFFAOYSA-N -1 2 336.369 1.238 20 0 EDADLM CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872487125 596932094 /nfs/dbraw/zinc/93/20/94/596932094.db2.gz LAMPLZAZLMHBTH-FKIZINRSSA-N -1 2 339.527 1.592 20 0 EDADLM O=C([O-])Cc1csc(NS(=O)(=O)c2ccccc2Cl)n1 ZINC000034005754 600050808 /nfs/dbraw/zinc/05/08/08/600050808.db2.gz AJWZZHZNTINJCH-UHFFFAOYSA-N -1 2 332.790 2.224 20 0 EDADLM CCc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000037461820 600051158 /nfs/dbraw/zinc/05/11/58/600051158.db2.gz WWULLQGJKAEKOV-UHFFFAOYSA-N -1 2 326.399 2.133 20 0 EDADLM O=C([O-])c1cc(Cl)ccc1NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000739356052 600195418 /nfs/dbraw/zinc/19/54/18/600195418.db2.gz WFDDYOIVZOHYCK-UHFFFAOYSA-N -1 2 347.718 1.062 20 0 EDADLM Cc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)nnc1C ZINC000738463885 600576532 /nfs/dbraw/zinc/57/65/32/600576532.db2.gz RUZMYIFJKFWGHA-UHFFFAOYSA-N -1 2 337.357 1.358 20 0 EDADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000738906062 600613102 /nfs/dbraw/zinc/61/31/02/600613102.db2.gz QPBOUGDBVFEIPI-UHFFFAOYSA-N -1 2 341.393 1.163 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2-n2cccn2)c[nH]1 ZINC000319578451 600977813 /nfs/dbraw/zinc/97/78/13/600977813.db2.gz IFQCJJBJSVSMAX-UHFFFAOYSA-N -1 2 333.329 1.094 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)s1 ZINC000232264095 601348279 /nfs/dbraw/zinc/34/82/79/601348279.db2.gz KVJHPYAIJQAJDH-UHFFFAOYSA-N -1 2 327.387 1.908 20 0 EDADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000389542387 602157226 /nfs/dbraw/zinc/15/72/26/602157226.db2.gz GSTQXQFKFXSLBI-UHFFFAOYSA-N -1 2 326.305 1.728 20 0 EDADLM C[C@H]1[C@H](NC(=O)c2cnc[nH]c2=O)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000993473845 696154653 /nfs/dbraw/zinc/15/46/53/696154653.db2.gz WWGPPGPVIVCOTH-XHDPSFHLSA-N -1 2 345.378 1.499 20 0 EDADLM C[C@@H](NS(=O)(=O)c1ccc(C(F)F)o1)[C@H]1C[N@H+](C)CCN1C ZINC000919981149 697377220 /nfs/dbraw/zinc/37/72/20/697377220.db2.gz IPIHUBLPGXSOKJ-NXEZZACHSA-N -1 2 337.392 1.130 20 0 EDADLM CO[C@H](CS(=O)(=O)NCc1nc(C[NH+](C)C)cs1)C(C)C ZINC000921093810 697513470 /nfs/dbraw/zinc/51/34/70/697513470.db2.gz SCTIWADKWRGMJP-GFCCVEGCSA-N -1 2 335.495 1.295 20 0 EDADLM O=C([O-])c1cc(NS(=O)(=O)c2cn[nH]c2)ccc1Br ZINC000128174028 304226014 /nfs/dbraw/zinc/22/60/14/304226014.db2.gz UTBDOWXTKDVWHR-UHFFFAOYSA-N -1 2 346.162 1.671 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000547587083 306104542 /nfs/dbraw/zinc/10/45/42/306104542.db2.gz APQMPJPDZQSSIM-RCOVLWMOSA-N -1 2 329.271 1.822 20 0 EDADLM CC(C)N(C(=O)C[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1)C(C)C ZINC000177179648 442309865 /nfs/dbraw/zinc/30/98/65/442309865.db2.gz WQTQZLCLTVTBHS-UHFFFAOYSA-N -1 2 347.459 1.795 20 0 EDADLM Cc1c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c2ccccc2n1C ZINC000551467188 320915524 /nfs/dbraw/zinc/91/55/24/320915524.db2.gz TUNBIXXWIJSFKH-UHFFFAOYSA-N -1 2 348.384 1.719 20 0 EDADLM CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1 ZINC000289440850 444144771 /nfs/dbraw/zinc/14/47/71/444144771.db2.gz OKTUZJATYYGHMM-CQSZACIVSA-N -1 2 343.431 1.719 20 0 EDADLM CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2c(F)ccc(O)c2F)CC1 ZINC000294933635 444160091 /nfs/dbraw/zinc/16/00/91/444160091.db2.gz OYLMDCLBJDAQDX-LBPRGKRZSA-N -1 2 341.402 1.703 20 0 EDADLM CC(C)Cn1cc[nH+]c1CNC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000361455710 445768538 /nfs/dbraw/zinc/76/85/38/445768538.db2.gz CLEISFGTYCLDGR-UHFFFAOYSA-N -1 2 345.329 1.675 20 0 EDADLM COc1ncc(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000356506859 445829371 /nfs/dbraw/zinc/82/93/71/445829371.db2.gz LGBQOWJQNXCQTQ-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cn1 ZINC000361996644 446138953 /nfs/dbraw/zinc/13/89/53/446138953.db2.gz QCKBJYWZACODII-UHFFFAOYSA-N -1 2 343.336 1.168 20 0 EDADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc1 ZINC000362024612 446161295 /nfs/dbraw/zinc/16/12/95/446161295.db2.gz ITZCRGHLPBUVGT-UHFFFAOYSA-N -1 2 345.327 1.576 20 0 EDADLM FC(F)(F)c1nc(=NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)s[n-]1 ZINC000376219709 446386948 /nfs/dbraw/zinc/38/69/48/446386948.db2.gz GNKVHABLGFLTAE-NXEZZACHSA-N -1 2 336.383 1.892 20 0 EDADLM Cc1ccc(C(=O)N2CCN(C[C@@H]3C[N@H+](C)CCO3)C[C@H]2C)c(O)c1 ZINC000368397336 446836369 /nfs/dbraw/zinc/83/63/69/446836369.db2.gz LTPQHZFVKSEWSF-CVEARBPZSA-N -1 2 347.459 1.178 20 0 EDADLM COCc1nc(=NC(=O)c2cnc3nc(C)ccc3c2O)s[n-]1 ZINC000442669645 446931362 /nfs/dbraw/zinc/93/13/62/446931362.db2.gz CQASIBXDURLOAZ-UHFFFAOYSA-N -1 2 331.357 1.316 20 0 EDADLM O=S(=O)(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccn1 ZINC000569750164 447882788 /nfs/dbraw/zinc/88/27/88/447882788.db2.gz MUIGVDHRXZJTOA-INIZCTEOSA-N -1 2 347.440 1.261 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)C[C@H]1CCCO1 ZINC000525238969 447981858 /nfs/dbraw/zinc/98/18/58/447981858.db2.gz AGNRAHWWYNPGRC-SECBINFHSA-N -1 2 347.364 1.843 20 0 EDADLM CC[NH+]1CCN(c2ccccc2NC(=O)CCCc2nn[nH]n2)CC1 ZINC000635185677 450729284 /nfs/dbraw/zinc/72/92/84/450729284.db2.gz SFEMHQDBMGBFRG-UHFFFAOYSA-N -1 2 343.435 1.303 20 0 EDADLM CC(C)[C@H](CNC(=O)N=c1ncn(Cc2ccccc2)[nH]1)C(=O)[O-] ZINC000653537399 452001796 /nfs/dbraw/zinc/00/17/96/452001796.db2.gz VSGCUYUNPRICNE-ZDUSSCGKSA-N -1 2 331.376 1.227 20 0 EDADLM COc1cccc(-c2nc(=NC(=O)NC[C@@H](C)C(=O)[O-])s[nH]2)c1 ZINC000653542185 452004517 /nfs/dbraw/zinc/00/45/17/452004517.db2.gz IRTXITFVFPGROZ-MRVPVSSYSA-N -1 2 336.373 1.478 20 0 EDADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cnn2c1OCCC2 ZINC000647922482 452659510 /nfs/dbraw/zinc/65/95/10/452659510.db2.gz OPIJEPCTLLMDEY-UHFFFAOYSA-N -1 2 341.320 1.304 20 0 EDADLM Cc1ccc(CCC[NH+]2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c[nH+]1 ZINC000650792234 453003107 /nfs/dbraw/zinc/00/31/07/453003107.db2.gz AULOIIAHCVSNAL-MRXNPFEDSA-N -1 2 345.443 1.720 20 0 EDADLM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000663058510 453665430 /nfs/dbraw/zinc/66/54/30/453665430.db2.gz ZUHCVUCOOPWXSY-WDEREUQCSA-N -1 2 347.346 1.900 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C(F)F ZINC000677551895 487117766 /nfs/dbraw/zinc/11/77/66/487117766.db2.gz KCCOXDYQZQUNSE-UHFFFAOYSA-N -1 2 349.290 1.996 20 0 EDADLM Cc1ccc2cccnc2c1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000679185017 487398838 /nfs/dbraw/zinc/39/88/38/487398838.db2.gz LEQXRMDBPPGHJR-UHFFFAOYSA-N -1 2 346.368 1.776 20 0 EDADLM CN(C)c1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)nc1 ZINC000737375433 579081278 /nfs/dbraw/zinc/08/12/78/579081278.db2.gz HRLMMKZIENDFFX-UHFFFAOYSA-N -1 2 335.385 1.576 20 0 EDADLM Cc1n[nH]cc1S(=O)(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000740031104 579282422 /nfs/dbraw/zinc/28/24/22/579282422.db2.gz LPKIKEGGOPSWPK-UHFFFAOYSA-N -1 2 340.361 1.165 20 0 EDADLM CC1(C)CC[N@H+](CCNS(=O)(=O)c2ccc(Cl)nc2F)C1 ZINC000908087808 592296234 /nfs/dbraw/zinc/29/62/34/592296234.db2.gz FKJHITJOELCJBB-UHFFFAOYSA-N -1 2 335.832 1.884 20 0 EDADLM C[C@@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000736115379 592989650 /nfs/dbraw/zinc/98/96/50/592989650.db2.gz HSEIPYQNNJQDHO-NEPJUHHUSA-N -1 2 345.407 1.097 20 0 EDADLM c1cn(Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c[nH+]1 ZINC000823788119 593859205 /nfs/dbraw/zinc/85/92/05/593859205.db2.gz VQYYYGYIAPNNNJ-UHFFFAOYSA-N -1 2 335.371 1.994 20 0 EDADLM c1cn(Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cn1 ZINC000823788119 593859207 /nfs/dbraw/zinc/85/92/07/593859207.db2.gz VQYYYGYIAPNNNJ-UHFFFAOYSA-N -1 2 335.371 1.994 20 0 EDADLM CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000824109153 593931235 /nfs/dbraw/zinc/93/12/35/593931235.db2.gz NXRLYTNALYPWPM-LLVKDONJSA-N -1 2 348.407 1.949 20 0 EDADLM O=C([O-])c1cccc(NS(=O)(=O)c2cnnn2-c2ccccc2)c1 ZINC000821115728 593969665 /nfs/dbraw/zinc/96/96/65/593969665.db2.gz ARFOZONCFQQFMI-UHFFFAOYSA-N -1 2 344.352 1.766 20 0 EDADLM C[C@H](CNC(=O)[O-])N(C)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000824967916 594107027 /nfs/dbraw/zinc/10/70/27/594107027.db2.gz XJKROHWHUXBGLS-SECBINFHSA-N -1 2 336.323 1.445 20 0 EDADLM C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2nc(=O)c3sccc3[nH]2)CCO1 ZINC000825360129 594172981 /nfs/dbraw/zinc/17/29/81/594172981.db2.gz OBAGPJZZAOOYNA-SCZZXKLOSA-N -1 2 338.389 1.254 20 0 EDADLM CCOCc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000830021875 594318041 /nfs/dbraw/zinc/31/80/41/594318041.db2.gz NCHUFWHFXDERIO-UHFFFAOYSA-N -1 2 339.373 1.305 20 0 EDADLM C[C@]1(C(=O)[O-])CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000828020291 594323059 /nfs/dbraw/zinc/32/30/59/594323059.db2.gz MYQGONOQBWIKKN-INIZCTEOSA-N -1 2 333.319 1.654 20 0 EDADLM CCCCC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(=O)[O-] ZINC000829327123 594598411 /nfs/dbraw/zinc/59/84/11/594598411.db2.gz VLGGJXJGPLBJLM-GFCCVEGCSA-N -1 2 333.344 1.793 20 0 EDADLM O=C([O-])N1CCC[C@H](NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000831590378 594685836 /nfs/dbraw/zinc/68/58/36/594685836.db2.gz CVVXBTAJGMVDSL-NSHDSACASA-N -1 2 348.334 1.589 20 0 EDADLM O=C([O-])N1CCC[C@@H]1CNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000831648065 594689844 /nfs/dbraw/zinc/68/98/44/594689844.db2.gz SPIHEBPATZMCAP-GFCCVEGCSA-N -1 2 330.344 1.450 20 0 EDADLM COc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1OC ZINC000832419509 594749109 /nfs/dbraw/zinc/74/91/09/594749109.db2.gz JDOUVLKHBXKZET-UHFFFAOYSA-N -1 2 344.370 1.659 20 0 EDADLM COc1cccnc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832633628 594765557 /nfs/dbraw/zinc/76/55/57/594765557.db2.gz UUODEUBFWNKMOR-UHFFFAOYSA-N -1 2 326.305 1.728 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)c(Cl)cc1F ZINC000832904258 594784194 /nfs/dbraw/zinc/78/41/94/594784194.db2.gz CEXVQRPULMNDAN-UHFFFAOYSA-N -1 2 347.755 1.869 20 0 EDADLM O=C([O-])[C@H]1CC12CCN(C(=O)C1=NN(c3ccccc3)CC1=O)CC2 ZINC000833177873 594802794 /nfs/dbraw/zinc/80/27/94/594802794.db2.gz NXLPDENMAAXKQH-CYBMUJFWSA-N -1 2 341.367 1.905 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000833347642 594831634 /nfs/dbraw/zinc/83/16/34/594831634.db2.gz BIISYFDHWDNDTP-UHFFFAOYSA-N -1 2 341.292 1.989 20 0 EDADLM Cn1cc(S(=O)(=O)NC(=O)CCCNC(=O)[O-])c2ccccc21 ZINC000833951538 594972471 /nfs/dbraw/zinc/97/24/71/594972471.db2.gz VUJLTQXEXINWNA-UHFFFAOYSA-N -1 2 339.373 1.031 20 0 EDADLM O=C([O-])Nc1ccc(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)c(O)c1 ZINC000834258391 595072591 /nfs/dbraw/zinc/07/25/91/595072591.db2.gz PNQPNUNNPMZCJJ-MRVPVSSYSA-N -1 2 332.320 1.015 20 0 EDADLM COC1(C[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])CCC1 ZINC000844827117 595400464 /nfs/dbraw/zinc/40/04/64/595400464.db2.gz YVADLKGLFKBNFA-SFYZADRCSA-N -1 2 333.328 1.269 20 0 EDADLM CCONC(=O)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000845554928 595518762 /nfs/dbraw/zinc/51/87/62/595518762.db2.gz LRZZEPHOTVTVPY-HNNXBMFYSA-N -1 2 334.420 1.190 20 0 EDADLM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2CC[C@@H](CF)C2)c1 ZINC000881673338 597674437 /nfs/dbraw/zinc/67/44/37/597674437.db2.gz FVSMFLKVKOZWGX-JTQLQIEISA-N -1 2 330.381 1.074 20 0 EDADLM CCn1nccc1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])cc1OC ZINC000471979533 255018430 /nfs/dbraw/zinc/01/84/30/255018430.db2.gz OMYLPQRFTWNNJO-UHFFFAOYSA-N -1 2 343.336 1.550 20 0 EDADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1c[nH]nc1C ZINC000347385458 143315483 /nfs/dbraw/zinc/31/54/83/143315483.db2.gz CCUUIRUCSOVYRH-UHFFFAOYSA-N -1 2 345.764 1.879 20 0 EDADLM O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)c(F)c(O)c1F ZINC000363823405 153066968 /nfs/dbraw/zinc/06/69/68/153066968.db2.gz KEDCASIZZKWKHM-BDAKNGLRSA-N -1 2 330.306 1.403 20 0 EDADLM CCn1nccc1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC000361996107 288767043 /nfs/dbraw/zinc/76/70/43/288767043.db2.gz MUQOEGZGXPHKHK-UHFFFAOYSA-N -1 2 339.329 1.131 20 0 EDADLM CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(Br)o1 ZINC000451754664 305367084 /nfs/dbraw/zinc/36/70/84/305367084.db2.gz JIFTTYNZVPHMMM-UHFFFAOYSA-N -1 2 334.195 1.737 20 0 EDADLM COc1cc(C)c(NS(=O)(=O)c2c[nH]c(C)n2)c(C(=O)[O-])c1 ZINC000548263889 306123066 /nfs/dbraw/zinc/12/30/66/306123066.db2.gz FZJQVOOMDUCSCR-UHFFFAOYSA-N -1 2 325.346 1.534 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000081198803 441240529 /nfs/dbraw/zinc/24/05/29/441240529.db2.gz MVVLLGBXRQVFTE-UHFFFAOYSA-N -1 2 335.288 1.549 20 0 EDADLM COCCOc1ccc(CNC(=O)c2cccc3[nH]nnc32)cc1 ZINC000187130639 442654472 /nfs/dbraw/zinc/65/44/72/442654472.db2.gz ALXBASNIAWBDFE-UHFFFAOYSA-N -1 2 326.356 1.913 20 0 EDADLM COc1cc(OC)c(NS(=O)(=O)c2c[nH]nc2C)c(C(=O)[O-])c1 ZINC000518420737 320456922 /nfs/dbraw/zinc/45/69/22/320456922.db2.gz IZEFXJBZAFIRKW-UHFFFAOYSA-N -1 2 341.345 1.234 20 0 EDADLM CCOC(=O)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC000538755169 320746580 /nfs/dbraw/zinc/74/65/80/320746580.db2.gz BZLGATIYSOKGRU-UHFFFAOYSA-N -1 2 339.329 1.085 20 0 EDADLM Cn1nc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1C1CC1 ZINC000290446306 444281934 /nfs/dbraw/zinc/28/19/34/444281934.db2.gz CQUAQAVMVPGCCI-UHFFFAOYSA-N -1 2 335.385 1.725 20 0 EDADLM Cc1c(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])cnn1C ZINC000320787412 444332590 /nfs/dbraw/zinc/33/25/90/444332590.db2.gz YMVRWVTZRIJVET-UHFFFAOYSA-N -1 2 331.300 1.506 20 0 EDADLM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000359826389 445447175 /nfs/dbraw/zinc/44/71/75/445447175.db2.gz ARXJHBJKHOMORU-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000359126246 445966535 /nfs/dbraw/zinc/96/65/35/445966535.db2.gz MPCDIPJFJNHHNN-CABZTGNLSA-N -1 2 332.360 1.088 20 0 EDADLM CC(C)C[N@H+]1CCCC[C@H]1CNS(=O)(=O)NCC(F)(F)F ZINC000443026460 446998220 /nfs/dbraw/zinc/99/82/20/446998220.db2.gz PLIRVMTTWPRZFA-NSHDSACASA-N -1 2 331.404 1.483 20 0 EDADLM COc1cc(C)cc(C)c1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000555829791 448093419 /nfs/dbraw/zinc/09/34/19/448093419.db2.gz AOOKVKROLZMWEJ-UHFFFAOYSA-N -1 2 339.373 1.545 20 0 EDADLM O=C([O-])C[C@@H]1CCCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000555127868 448064621 /nfs/dbraw/zinc/06/46/21/448064621.db2.gz VGPCMOOFHBVVFF-LBPRGKRZSA-N -1 2 329.356 1.905 20 0 EDADLM Cc1n[nH]cc1S(=O)(=O)Nc1ccc2c(C(=O)[O-])c[nH]c(=O)c2c1 ZINC000519623342 448801715 /nfs/dbraw/zinc/80/17/15/448801715.db2.gz CUUQHRXMHUTUEP-UHFFFAOYSA-N -1 2 348.340 1.471 20 0 EDADLM COc1cc(F)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(F)c1 ZINC000675466665 487410039 /nfs/dbraw/zinc/41/00/39/487410039.db2.gz YBHZFKDEKFSADZ-NXEZZACHSA-N -1 2 346.399 1.877 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)c(O)c1 ZINC000738691781 579191719 /nfs/dbraw/zinc/19/17/19/579191719.db2.gz WXZDTHJMUJOHQH-UHFFFAOYSA-N -1 2 328.733 1.940 20 0 EDADLM O=C([O-])c1ccnc(NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)c1 ZINC000740245650 579304953 /nfs/dbraw/zinc/30/49/53/579304953.db2.gz WNEQIAUILCKGRK-UHFFFAOYSA-N -1 2 326.268 1.375 20 0 EDADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000754758781 579911113 /nfs/dbraw/zinc/91/11/13/579911113.db2.gz OGFKDJMPZYYMCU-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM O=C(OCC[NH+]1CCOCC1)c1c[nH]nc1-c1c(F)cccc1F ZINC000768140557 580207742 /nfs/dbraw/zinc/20/77/42/580207742.db2.gz OCNJXINCJOBYPM-UHFFFAOYSA-N -1 2 337.326 1.844 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)NCCCC(=O)[O-])cc2[nH]c1=S ZINC000769495100 580238531 /nfs/dbraw/zinc/23/85/31/580238531.db2.gz FSHKTQZGLHQICJ-UHFFFAOYSA-N -1 2 335.385 1.300 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)=N1 ZINC000909810902 592846286 /nfs/dbraw/zinc/84/62/86/592846286.db2.gz SMYUXFPBXDVTFX-PWSUYJOCSA-N -1 2 347.346 1.961 20 0 EDADLM O=C(/C=C/C[NH+]1CCOCC1)Nc1cc(Br)ccc1O ZINC000867008344 593282802 /nfs/dbraw/zinc/28/28/02/593282802.db2.gz LSKGXBMDFPRLDH-OWOJBTEDSA-N -1 2 341.205 1.982 20 0 EDADLM CCn1cnc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000830429780 594394471 /nfs/dbraw/zinc/39/44/71/594394471.db2.gz PCNKSJUDMOXONE-UHFFFAOYSA-N -1 2 330.391 1.178 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CC1CN(C(=O)[O-])C1 ZINC000828423132 594415944 /nfs/dbraw/zinc/41/59/44/594415944.db2.gz XHRDXCBOCNSQQR-UHFFFAOYSA-N -1 2 336.373 1.355 20 0 EDADLM O=C([O-])N1CCC(NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC1 ZINC000831599686 594686683 /nfs/dbraw/zinc/68/66/83/594686683.db2.gz UIIGBECHNMMGGI-UHFFFAOYSA-N -1 2 348.334 1.589 20 0 EDADLM O=C([O-])NCc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)o1 ZINC000832704999 594770453 /nfs/dbraw/zinc/77/04/53/594770453.db2.gz BLZLUQQTTYYEQP-UHFFFAOYSA-N -1 2 344.283 1.643 20 0 EDADLM Cc1cc(C(=O)N(CC(=O)[O-])C2CCCC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000832860389 594781685 /nfs/dbraw/zinc/78/16/85/594781685.db2.gz TXUHYENUNJZHFN-UHFFFAOYSA-N -1 2 346.343 1.214 20 0 EDADLM Cn1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1C(=O)[O-] ZINC000833052570 594794443 /nfs/dbraw/zinc/79/44/43/594794443.db2.gz AWBOJVGCLOTSLH-UHFFFAOYSA-N -1 2 346.368 1.710 20 0 EDADLM CC(C)(C)[N@@H+]1CC[C@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C1 ZINC000872503343 596939269 /nfs/dbraw/zinc/93/92/69/596939269.db2.gz KPBAPYKCIONIQF-YBTHPKLGSA-N -1 2 339.527 1.590 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)c[n-]c2[nH+]1 ZINC000738666703 600319307 /nfs/dbraw/zinc/31/93/07/600319307.db2.gz VKTHSJMKZMOLGW-CYBMUJFWSA-N -1 2 341.367 1.971 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)c[nH]c2n1 ZINC000738666703 600319311 /nfs/dbraw/zinc/31/93/11/600319311.db2.gz VKTHSJMKZMOLGW-CYBMUJFWSA-N -1 2 341.367 1.971 20 0 EDADLM Cc1nnc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000388897252 601501822 /nfs/dbraw/zinc/50/18/22/601501822.db2.gz SBSIGMSIYRMFAP-UHFFFAOYSA-N -1 2 343.386 1.501 20 0 EDADLM O=C([O-])COc1cccc(CNS(=O)(=O)CC(F)(F)F)c1 ZINC000567468449 306452983 /nfs/dbraw/zinc/45/29/83/306452983.db2.gz PZFOMAVMQODORI-UHFFFAOYSA-N -1 2 327.280 1.132 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H]2C(=O)[O-])=N1 ZINC000237659636 139057287 /nfs/dbraw/zinc/05/72/87/139057287.db2.gz YLIBJTOKFJIMGM-LBPRGKRZSA-N -1 2 333.319 1.715 20 0 EDADLM CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000280852155 273406704 /nfs/dbraw/zinc/40/67/04/273406704.db2.gz BQJJFJMHWSYQQN-UHFFFAOYSA-N -1 2 337.401 1.971 20 0 EDADLM Cc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000262122752 301130642 /nfs/dbraw/zinc/13/06/42/301130642.db2.gz VWNKSQBFILKUQQ-UHFFFAOYSA-N -1 2 346.343 1.118 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])c1cccc(F)c1 ZINC000547587082 306104467 /nfs/dbraw/zinc/10/44/67/306104467.db2.gz APQMPJPDZQSSIM-MUWHJKNJSA-N -1 2 329.271 1.822 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(OC)n1 ZINC000146104891 441894282 /nfs/dbraw/zinc/89/42/82/441894282.db2.gz DBAQAFGTMPJMFS-UHFFFAOYSA-N -1 2 338.341 1.598 20 0 EDADLM CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000152641189 442233995 /nfs/dbraw/zinc/23/39/95/442233995.db2.gz FQHKEKPPSJGKIA-CQSZACIVSA-N -1 2 330.384 1.908 20 0 EDADLM CC(C)(C)n1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)nn1 ZINC000191455586 443297108 /nfs/dbraw/zinc/29/71/08/443297108.db2.gz LBPYJHWGRYKZSM-UHFFFAOYSA-N -1 2 343.478 1.163 20 0 EDADLM Cc1noc2ncc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc12 ZINC000433501724 319980548 /nfs/dbraw/zinc/98/05/48/319980548.db2.gz MBNOBAPDBINFKP-UHFFFAOYSA-N -1 2 349.324 1.736 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](CC(=O)[O-])C3)c[nH]c2n1 ZINC000564968913 321161376 /nfs/dbraw/zinc/16/13/76/321161376.db2.gz NKVQCLYCVGXJOR-NSHDSACASA-N -1 2 329.356 1.971 20 0 EDADLM CCOc1ncccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000357021366 445379541 /nfs/dbraw/zinc/37/95/41/445379541.db2.gz SCRSGSMDHISTIU-UHFFFAOYSA-N -1 2 336.369 1.908 20 0 EDADLM Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](CC2N=NC(=O)S2)C1 ZINC000375360716 446747981 /nfs/dbraw/zinc/74/79/81/446747981.db2.gz JCVWOFWEVPGBEE-NSHDSACASA-N -1 2 333.417 1.798 20 0 EDADLM CCO[C@H]1C[C@](NC(=O)c2cccc3[nH]nnc32)(C(=O)OC)C1(C)C ZINC000526121246 448104833 /nfs/dbraw/zinc/10/48/33/448104833.db2.gz GJACLZCLNPAXKY-SJCJKPOMSA-N -1 2 346.387 1.435 20 0 EDADLM COC(=O)c1c(F)cc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1F ZINC000515674449 448342714 /nfs/dbraw/zinc/34/27/14/448342714.db2.gz ZSNMNMHBDHXYNG-VIFPVBQESA-N -1 2 335.328 1.672 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)c(C)o1 ZINC000595384297 450098807 /nfs/dbraw/zinc/09/88/07/450098807.db2.gz VSKBTZKUNXSNMZ-MRVPVSSYSA-N -1 2 327.362 1.148 20 0 EDADLM COc1ccc(C(=O)N=c2nc(C3CCOCC3)[n-]s2)c(O)c1 ZINC000629100293 451552420 /nfs/dbraw/zinc/55/24/20/451552420.db2.gz MKVYPFGXCBFGFX-UHFFFAOYSA-N -1 2 335.385 1.821 20 0 EDADLM Cc1ncc(S(=O)(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)s1 ZINC000634795460 451554495 /nfs/dbraw/zinc/55/44/95/451554495.db2.gz YCYVFKXGPITGHC-UHFFFAOYSA-N -1 2 341.462 1.716 20 0 EDADLM O=C([O-])CCNc1nc[nH+]c(NCCC(=O)[O-])c1Br ZINC000662877380 453584429 /nfs/dbraw/zinc/58/44/29/453584429.db2.gz AKOZIGYKAJOBQR-UHFFFAOYSA-N -1 2 333.142 1.012 20 0 EDADLM O=C([O-])c1cccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)n1 ZINC000740217404 579301587 /nfs/dbraw/zinc/30/15/87/579301587.db2.gz YTBLDJCBFVBKKR-UHFFFAOYSA-N -1 2 326.268 1.375 20 0 EDADLM Cc1c(NS(=O)(=O)c2cnc(Cl)n2C)cccc1C(=O)[O-] ZINC000765082537 580134781 /nfs/dbraw/zinc/13/47/81/580134781.db2.gz XJEGHWNQDZZBSK-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000776504979 580418819 /nfs/dbraw/zinc/41/88/19/580418819.db2.gz IGVQKSLQNQYXAV-SSDLBLMSSA-N -1 2 347.261 1.961 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000776599465 580423674 /nfs/dbraw/zinc/42/36/74/580423674.db2.gz HHVZOEZPVQRRJM-IONNQARKSA-N -1 2 333.328 1.127 20 0 EDADLM C[C@H](COC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)NC(=O)[O-] ZINC000824995417 594112498 /nfs/dbraw/zinc/11/24/98/594112498.db2.gz OBMQPKZNSWFGQY-SSDOTTSWSA-N -1 2 337.357 1.035 20 0 EDADLM CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n1 ZINC000830104709 594337765 /nfs/dbraw/zinc/33/77/65/594337765.db2.gz NPIYTBLUQDIJLZ-UHFFFAOYSA-N -1 2 325.346 1.318 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Oc2ccc(C)cc2C(=O)[O-])c[nH]1 ZINC000831353378 594613391 /nfs/dbraw/zinc/61/33/91/594613391.db2.gz HYBCZOCVLUDSCT-UHFFFAOYSA-N -1 2 339.325 1.576 20 0 EDADLM O=C([O-])N1CCCc2cc(NC(=O)NCc3n[nH]c(=O)[nH]3)ccc21 ZINC000831731369 594697197 /nfs/dbraw/zinc/69/71/97/594697197.db2.gz WQWGDJYPCMNVCL-UHFFFAOYSA-N -1 2 332.320 1.263 20 0 EDADLM O=C([O-])C1CCN(C(=O)COC(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000833348761 594832158 /nfs/dbraw/zinc/83/21/58/594832158.db2.gz CMUIKHBFXLZYDH-UHFFFAOYSA-N -1 2 343.282 1.150 20 0 EDADLM C[C@H]1C[C@@H](C(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])CCC1=O ZINC000833591552 594881628 /nfs/dbraw/zinc/88/16/28/594881628.db2.gz XMLVETUUNXDESW-YUMQZZPRSA-N -1 2 345.398 1.257 20 0 EDADLM Cc1cnn(-c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cn[nH]c2)c1 ZINC000833754316 594922301 /nfs/dbraw/zinc/92/23/01/594922301.db2.gz LRWLEEYCNRKEDJ-UHFFFAOYSA-N -1 2 347.356 1.403 20 0 EDADLM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000834804017 595217000 /nfs/dbraw/zinc/21/70/00/595217000.db2.gz GPWRGEGJYXXXIT-UHFFFAOYSA-N -1 2 345.384 1.960 20 0 EDADLM C[C@@H]1CC[N@@H+](CCn2ccccc2=O)C[C@@H]1NC(=O)C(F)(F)F ZINC000852756785 595528708 /nfs/dbraw/zinc/52/87/08/595528708.db2.gz CVBJNSYHVONTFF-NEPJUHHUSA-N -1 2 331.338 1.237 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC000871772576 596693136 /nfs/dbraw/zinc/69/31/36/596693136.db2.gz QCNAEDSYRYUIKH-IYSWYEEDSA-N -1 2 332.325 1.009 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc3ccccc3c2)cn1 ZINC000319521317 600670759 /nfs/dbraw/zinc/67/07/59/600670759.db2.gz ASNGAESVNPXLBO-UHFFFAOYSA-N -1 2 331.353 1.922 20 0 EDADLM CSc1ccccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000035651792 600671083 /nfs/dbraw/zinc/67/10/83/600671083.db2.gz HUHJYIGPCWMYHS-UHFFFAOYSA-N -1 2 327.387 1.490 20 0 EDADLM CSc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000035651724 600672768 /nfs/dbraw/zinc/67/27/68/600672768.db2.gz XWWZJYOQNFDPIM-UHFFFAOYSA-N -1 2 327.387 1.490 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)cn1 ZINC000319566459 600673336 /nfs/dbraw/zinc/67/33/36/600673336.db2.gz LPEIQEVOAGPQFS-UHFFFAOYSA-N -1 2 347.299 1.370 20 0 EDADLM CN(C(=O)c1cc(O)cc(C(F)(F)F)c1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000622071498 703499938 /nfs/dbraw/zinc/49/99/38/703499938.db2.gz WJKODGWITZKYLN-KBPBESRZSA-N -1 2 344.333 1.956 20 0 EDADLM Cc1cc(NC(=O)c2ccccc2OCC(N)=O)ccc1C(=O)[O-] ZINC000341738799 142628845 /nfs/dbraw/zinc/62/88/45/142628845.db2.gz NTELGJUJVNKUPG-UHFFFAOYSA-N -1 2 328.324 1.810 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cn1 ZINC000350729873 143550598 /nfs/dbraw/zinc/55/05/98/143550598.db2.gz OFRZVKCGOGCXFI-LLVKDONJSA-N -1 2 337.401 1.967 20 0 EDADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C(F)F)c1 ZINC000361776540 152493689 /nfs/dbraw/zinc/49/36/89/152493689.db2.gz NARUGXRCGLLDBD-UHFFFAOYSA-N -1 2 347.299 1.786 20 0 EDADLM CN(C)C(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@]3(C(=O)[O-])C2)c1 ZINC000374096363 157141160 /nfs/dbraw/zinc/14/11/60/157141160.db2.gz XUIYEJCYQVHPLE-KDOFPFPSSA-N -1 2 330.384 1.715 20 0 EDADLM Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2c2nc(=O)[nH][nH]2)c(C)c1 ZINC000295423191 303217114 /nfs/dbraw/zinc/21/71/14/303217114.db2.gz YKSWEDKEKZVILR-LSDHHAIUSA-N -1 2 346.431 1.682 20 0 EDADLM Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccccc1F)C(C)(C)CO ZINC000295879987 303279169 /nfs/dbraw/zinc/27/91/69/303279169.db2.gz ZOQFOWQSXLYVLN-CYBMUJFWSA-N -1 2 341.408 1.597 20 0 EDADLM Cc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)nn1C ZINC000439054680 305193284 /nfs/dbraw/zinc/19/32/84/305193284.db2.gz ZQLAKILJTQPFSU-UHFFFAOYSA-N -1 2 343.336 1.132 20 0 EDADLM C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000283646201 443681024 /nfs/dbraw/zinc/68/10/24/443681024.db2.gz AXWUMRZVSCXOJS-ZFWWWQNUSA-N -1 2 348.447 1.938 20 0 EDADLM C[C@H](O)CNc1cc(NCCCNC(=O)c2cccc(O)c2)[nH+]cn1 ZINC000298152472 443705990 /nfs/dbraw/zinc/70/59/90/443705990.db2.gz DLVNYQVFZARGLL-LBPRGKRZSA-N -1 2 345.403 1.207 20 0 EDADLM O=C([O-])CCN(C(=O)c1cc(F)c(F)c(O)c1F)C1CCOCC1 ZINC000519780830 320473449 /nfs/dbraw/zinc/47/34/49/320473449.db2.gz XOXCLGDNJOZASY-UHFFFAOYSA-N -1 2 347.289 1.905 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](CC(=O)[O-])C1CCOCC1 ZINC000547937941 320850208 /nfs/dbraw/zinc/85/02/08/320850208.db2.gz RWWVYXDHLQRICI-IONNQARKSA-N -1 2 333.328 1.127 20 0 EDADLM COC(=O)c1sc2[nH]c(C[N@H+](C)CCCO)nc(=O)c2c1C ZINC000281603396 443956153 /nfs/dbraw/zinc/95/61/53/443956153.db2.gz GJRVRXFSDKXTMT-UHFFFAOYSA-N -1 2 325.390 1.306 20 0 EDADLM COc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)C[C@H]1CCCO1 ZINC000570074222 321336738 /nfs/dbraw/zinc/33/67/38/321336738.db2.gz CWSHQCCZYFMEEF-MRVPVSSYSA-N -1 2 349.792 1.968 20 0 EDADLM Cn1[nH]c(C[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)nc1=O ZINC000328685690 444429888 /nfs/dbraw/zinc/42/98/88/444429888.db2.gz FTXJWPFYWZBLEN-GFCCVEGCSA-N -1 2 348.476 1.051 20 0 EDADLM COc1ccc(NS(=O)(=O)c2c(C)noc2C)c(C(=O)[O-])c1 ZINC000336854769 444803514 /nfs/dbraw/zinc/80/35/14/444803514.db2.gz RAMTUWMUVZXTEQ-UHFFFAOYSA-N -1 2 326.330 1.799 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]c(=O)oc21 ZINC000357327918 445550276 /nfs/dbraw/zinc/55/02/76/445550276.db2.gz HCBPYDSIDSYQIK-UHFFFAOYSA-N -1 2 338.297 1.934 20 0 EDADLM CCn1cncc1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000583728267 326125980 /nfs/dbraw/zinc/12/59/80/326125980.db2.gz LIWVLUDZSRWNMN-UHFFFAOYSA-N -1 2 331.300 1.680 20 0 EDADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1 ZINC000362304251 446313086 /nfs/dbraw/zinc/31/30/86/446313086.db2.gz FECNXIGYPSPNEV-UHFFFAOYSA-N -1 2 349.290 1.786 20 0 EDADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)c1 ZINC000362306164 446313655 /nfs/dbraw/zinc/31/36/55/446313655.db2.gz QVFHYHQKVVBHBW-UHFFFAOYSA-N -1 2 349.290 1.786 20 0 EDADLM O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000576992526 448187941 /nfs/dbraw/zinc/18/79/41/448187941.db2.gz SBSQSZYNUXLVSA-SNVBAGLBSA-N -1 2 331.328 1.357 20 0 EDADLM CC[C@H](C(=O)[O-])N(C)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000653341895 451854551 /nfs/dbraw/zinc/85/45/51/451854551.db2.gz OLHIMZGRUHJFJZ-LLVKDONJSA-N -1 2 335.335 1.961 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000674336169 487239638 /nfs/dbraw/zinc/23/96/38/487239638.db2.gz CJLXANIJFCJWEY-UHFFFAOYSA-N -1 2 335.341 1.559 20 0 EDADLM Cc1cccc(NS(=O)(=O)c2cnc(Cl)n2C)c1C(=O)[O-] ZINC000765090690 580135141 /nfs/dbraw/zinc/13/51/41/580135141.db2.gz VLJXNMMYPBRVFO-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM Cn1c[nH+]c(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)c1 ZINC000908096297 592314465 /nfs/dbraw/zinc/31/44/65/592314465.db2.gz NMELDNJQYUWUPH-UHFFFAOYSA-N -1 2 335.307 1.639 20 0 EDADLM C/C(=C\C(=O)Nc1cc(-c2nccn2C)[nH]n1)C[NH+]1CCOCC1 ZINC000912172893 593067628 /nfs/dbraw/zinc/06/76/28/593067628.db2.gz UNEFMRPMTGVPRC-FMIVXFBMSA-N -1 2 330.392 1.027 20 0 EDADLM COCc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)c1 ZINC000821089642 593963464 /nfs/dbraw/zinc/96/34/64/593963464.db2.gz LQSSBNGYDHYBCS-UHFFFAOYSA-N -1 2 325.346 1.066 20 0 EDADLM CCc1ccc(CC)c(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000830245105 594361909 /nfs/dbraw/zinc/36/19/09/594361909.db2.gz QIRFBBQYRDEOIY-UHFFFAOYSA-N -1 2 337.401 1.893 20 0 EDADLM CN(C)c1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)nc1 ZINC000830639679 594444983 /nfs/dbraw/zinc/44/49/83/594444983.db2.gz MDKVPMACCFHXKY-UHFFFAOYSA-N -1 2 327.387 1.708 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cc(-c3cccnc3)[nH]n2)cc1C(=O)[O-] ZINC000833054354 594794698 /nfs/dbraw/zinc/79/46/98/594794698.db2.gz WBUUZWSMQCHUHG-UHFFFAOYSA-N -1 2 347.356 1.309 20 0 EDADLM O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000833187178 594803266 /nfs/dbraw/zinc/80/32/66/594803266.db2.gz QLMKHLYOPFFCGO-WDEREUQCSA-N -1 2 331.328 1.859 20 0 EDADLM O=C([O-])c1nscc1NS(=O)(=O)c1cccc2c1COC2=O ZINC000833358289 594833472 /nfs/dbraw/zinc/83/34/72/594833472.db2.gz QBVGUNSZUGVDCC-UHFFFAOYSA-N -1 2 340.338 1.313 20 0 EDADLM CC(C)(C)c1nc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)no1 ZINC000833451434 594850161 /nfs/dbraw/zinc/85/01/61/594850161.db2.gz UWAQKXFDSAPEHZ-UHFFFAOYSA-N -1 2 339.373 1.795 20 0 EDADLM Cc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])cc2n[nH]cc21 ZINC000833746620 594921107 /nfs/dbraw/zinc/92/11/07/594921107.db2.gz FABZWHWNTXJVBO-UHFFFAOYSA-N -1 2 338.370 1.827 20 0 EDADLM C[C@@H]1CC[N@H+](C[C@H]2CC3(CC3)C(=O)O2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852756966 595529382 /nfs/dbraw/zinc/52/93/82/595529382.db2.gz FISQTNLVYYUVDC-MXWKQRLJSA-N -1 2 334.338 1.471 20 0 EDADLM O=C([O-])CC1(C(=O)NS(=O)(=O)c2cnc3ccccc3c2)CCC1 ZINC000863959364 596731618 /nfs/dbraw/zinc/73/16/18/596731618.db2.gz BONHARRLWGISLN-UHFFFAOYSA-N -1 2 348.380 1.685 20 0 EDADLM Cc1ccncc1S(=O)(=O)NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC000863963148 596734138 /nfs/dbraw/zinc/73/41/38/596734138.db2.gz LYDSAMIDKFZIFN-GFCCVEGCSA-N -1 2 326.374 1.086 20 0 EDADLM O=C(CCc1cnn[nH]1)N1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000870164240 596782702 /nfs/dbraw/zinc/78/27/02/596782702.db2.gz NPTSEGRINHFPQT-UHFFFAOYSA-N -1 2 349.822 1.441 20 0 EDADLM Cn1[nH]c(C[N@@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)nc1=O ZINC000880277759 597890420 /nfs/dbraw/zinc/89/04/20/597890420.db2.gz PAVRATGHLGSVIA-CQSZACIVSA-N -1 2 338.415 1.878 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2cnccc2C(=O)[O-])cnc1Cl ZINC000738478381 600513264 /nfs/dbraw/zinc/51/32/64/600513264.db2.gz MZNNMROZMDXWBK-UHFFFAOYSA-N -1 2 327.749 1.937 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc3ccccc32)cn1 ZINC000319556038 600673471 /nfs/dbraw/zinc/67/34/71/600673471.db2.gz FDZGFDSYRBGFCS-UHFFFAOYSA-N -1 2 331.353 1.922 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc3ncsc3c2)cn1 ZINC000319521141 600673548 /nfs/dbraw/zinc/67/35/48/600673548.db2.gz OOBWHNITMLMGRY-UHFFFAOYSA-N -1 2 338.370 1.378 20 0 EDADLM CCC[C@H](NC(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000739302574 602367030 /nfs/dbraw/zinc/36/70/30/602367030.db2.gz JWLZUFSRIMLERK-VIFPVBQESA-N -1 2 338.389 1.792 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000274926533 540057676 /nfs/dbraw/zinc/05/76/76/540057676.db2.gz CEKWKHQWAVUUAS-XVKPBYJWSA-N -1 2 343.298 1.692 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179965798 201031811 /nfs/dbraw/zinc/03/18/11/201031811.db2.gz DMOGARBHCNIEGQ-VHSXEESVSA-N -1 2 349.412 1.834 20 0 EDADLM O=C([O-])Cn1cc[nH+]c1-c1cccc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000364056657 153134596 /nfs/dbraw/zinc/13/45/96/153134596.db2.gz LLESTLUCTDEPOL-UHFFFAOYSA-N -1 2 347.356 1.159 20 0 EDADLM Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000424239405 301097343 /nfs/dbraw/zinc/09/73/43/301097343.db2.gz CQMVKIZCYGSBOT-WRWORJQWSA-N -1 2 346.343 1.070 20 0 EDADLM COCC[N@@H+](C)CCNC(=O)c1cc(Br)c(F)cc1O ZINC000294516464 303118630 /nfs/dbraw/zinc/11/86/30/303118630.db2.gz KKYNWYNMWWPIRP-UHFFFAOYSA-N -1 2 349.200 1.602 20 0 EDADLM CCc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436527525 305159850 /nfs/dbraw/zinc/15/98/50/305159850.db2.gz LVZFGZTZIUWJCW-UHFFFAOYSA-N -1 2 326.330 1.750 20 0 EDADLM CC(C)(NC(=O)c1cc(Br)c(F)cc1[O-])c1nn[nH]n1 ZINC000450002234 305322883 /nfs/dbraw/zinc/32/28/83/305322883.db2.gz BSMYRGYBLJJKSJ-UHFFFAOYSA-N -1 2 344.144 1.472 20 0 EDADLM Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1sccc1F)C(C)(C)CO ZINC000451738419 305366091 /nfs/dbraw/zinc/36/60/91/305366091.db2.gz IAVHVKDJFZWJCD-JTQLQIEISA-N -1 2 347.437 1.659 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)[C@@H]1CCCOC1 ZINC000548588065 306132129 /nfs/dbraw/zinc/13/21/29/306132129.db2.gz GTKJSRAMNCIGIL-SECBINFHSA-N -1 2 347.364 1.843 20 0 EDADLM CC(C)Cn1cnc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000552132606 306175716 /nfs/dbraw/zinc/17/57/16/306175716.db2.gz HUGRXMSLJJPWDW-CQSZACIVSA-N -1 2 337.449 1.702 20 0 EDADLM Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1F ZINC000192645736 442671810 /nfs/dbraw/zinc/67/18/10/442671810.db2.gz XRPMFJVIWZDVKU-APPDUMDISA-N -1 2 348.378 1.135 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cn1 ZINC000269633105 443372364 /nfs/dbraw/zinc/37/23/64/443372364.db2.gz PQHYWDWFKASWFH-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM CC(C)n1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cn1 ZINC000436768076 320022880 /nfs/dbraw/zinc/02/28/80/320022880.db2.gz HPLGEDKPBQUSKT-UHFFFAOYSA-N -1 2 325.346 1.669 20 0 EDADLM C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289415737 444136327 /nfs/dbraw/zinc/13/63/27/444136327.db2.gz MECHAKMLIBKCNX-WDEREUQCSA-N -1 2 349.822 1.958 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc3c2OCO3)c(O)c1 ZINC000337895112 444452842 /nfs/dbraw/zinc/45/28/42/444452842.db2.gz KYSUIINCIBGOSC-UHFFFAOYSA-N -1 2 337.309 1.620 20 0 EDADLM Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4nc(=O)n(C)[nH]4)C3)[nH]c2c1 ZINC000329639067 444660974 /nfs/dbraw/zinc/66/09/74/444660974.db2.gz YZDISZAKXLHJOY-GFCCVEGCSA-N -1 2 326.404 1.673 20 0 EDADLM Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4nc(=O)n(C)[nH]4)C3)nc2c1 ZINC000329639067 444660978 /nfs/dbraw/zinc/66/09/78/444660978.db2.gz YZDISZAKXLHJOY-GFCCVEGCSA-N -1 2 326.404 1.673 20 0 EDADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C ZINC000359662768 445363329 /nfs/dbraw/zinc/36/33/29/445363329.db2.gz KXMBHOVJMIDGOY-MRVPVSSYSA-N -1 2 326.378 1.990 20 0 EDADLM O=C([O-])c1cc([NH+]2CCCC2)ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000350729262 445889823 /nfs/dbraw/zinc/88/98/23/445889823.db2.gz JLRHHXCBRRDDGC-UHFFFAOYSA-N -1 2 336.373 1.509 20 0 EDADLM O=C(CSc1n[nH]c(=O)[nH]1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000376778565 446713045 /nfs/dbraw/zinc/71/30/45/446713045.db2.gz OUODCQNHPVCQKI-LLVKDONJSA-N -1 2 325.438 1.079 20 0 EDADLM CCOC(=O)c1n[nH]c(C2CC[NH+]([C@H](C)c3nccc(N)n3)CC2)n1 ZINC000584002157 448468858 /nfs/dbraw/zinc/46/88/58/448468858.db2.gz NZPTVZHIVICIFV-SNVBAGLBSA-N -1 2 345.407 1.294 20 0 EDADLM Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2ncc[nH]2)CC1 ZINC000631735269 450741015 /nfs/dbraw/zinc/74/10/15/450741015.db2.gz ANSFZVQUQXZEPQ-UHFFFAOYSA-N -1 2 334.445 1.615 20 0 EDADLM O=C([O-])CCC1CCN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)CC1 ZINC000659773625 452668838 /nfs/dbraw/zinc/66/88/38/452668838.db2.gz CTJLGNICUVEWQZ-UHFFFAOYSA-N -1 2 346.343 1.153 20 0 EDADLM CC(=O)c1ccc(C(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000655408293 453510367 /nfs/dbraw/zinc/51/03/67/453510367.db2.gz SSPFLBRJULZRCM-RWMBFGLXSA-N -1 2 334.416 1.822 20 0 EDADLM COc1ccc(Cl)cc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000683731908 486804717 /nfs/dbraw/zinc/80/47/17/486804717.db2.gz OXQFZQFPXICUNY-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1c(O)cccc1F ZINC000685742885 487316762 /nfs/dbraw/zinc/31/67/62/487316762.db2.gz GGXRQRBZQIHYJU-CYBMUJFWSA-N -1 2 348.378 1.967 20 0 EDADLM O=C([O-])[C@@]1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCSC1 ZINC000146953345 485831732 /nfs/dbraw/zinc/83/17/32/485831732.db2.gz GMJQFGYKCJZLKQ-CYBMUJFWSA-N -1 2 326.330 1.837 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000339414802 536541212 /nfs/dbraw/zinc/54/12/12/536541212.db2.gz ALCJBSLZZIJTIH-MRVPVSSYSA-N -1 2 333.337 1.453 20 0 EDADLM CCCOc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000737034434 579042317 /nfs/dbraw/zinc/04/23/17/579042317.db2.gz KJBMJLMISFCZEK-UHFFFAOYSA-N -1 2 339.373 1.557 20 0 EDADLM CCN(Cc1ccccc1NS(=O)(=O)c1ccnn1C)C(=O)[O-] ZINC000739444522 579206516 /nfs/dbraw/zinc/20/65/16/579206516.db2.gz KQRLAFPOLKAUGF-UHFFFAOYSA-N -1 2 338.389 1.721 20 0 EDADLM Cc1n[nH]cc1S(=O)(=O)Nc1cccc2c1CCN(C(=O)[O-])C2 ZINC000740031172 579282441 /nfs/dbraw/zinc/28/24/41/579282441.db2.gz MNTKHIYYOZJELC-UHFFFAOYSA-N -1 2 336.373 1.555 20 0 EDADLM Cc1n[nH]c(NC(=O)C2(c3ccccc3)CCN(C(=O)[O-])CC2)n1 ZINC000740223306 579302107 /nfs/dbraw/zinc/30/21/07/579302107.db2.gz QLCBZNXPXWFJAJ-UHFFFAOYSA-N -1 2 329.360 1.763 20 0 EDADLM Cn1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000776426104 580417002 /nfs/dbraw/zinc/41/70/02/580417002.db2.gz GQQSEUQYPKRBRO-UHFFFAOYSA-N -1 2 349.290 1.938 20 0 EDADLM CCOC(=O)c1n[nH]c([C@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)n1 ZINC000895241219 591675411 /nfs/dbraw/zinc/67/54/11/591675411.db2.gz KRJSJGZGGPUQSA-ZETCQYMHSA-N -1 2 346.313 1.585 20 0 EDADLM O=C([O-])[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C(F)(F)F ZINC000901967150 591881524 /nfs/dbraw/zinc/88/15/24/591881524.db2.gz JLVTTWPTMZPQLI-CHWSQXEVSA-N -1 2 340.305 1.962 20 0 EDADLM CC(C)[N@H+](CCC(=O)[O-])CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000736465391 593010457 /nfs/dbraw/zinc/01/04/57/593010457.db2.gz CDNCUWOAGAEIKG-UHFFFAOYSA-N -1 2 347.459 1.516 20 0 EDADLM O=C([O-])c1c(F)cc(NS(=O)(=O)c2cnc3n2CCC3)cc1F ZINC000783529676 593132844 /nfs/dbraw/zinc/13/28/44/593132844.db2.gz NUIXZBNCQLKKJC-UHFFFAOYSA-N -1 2 343.311 1.607 20 0 EDADLM CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810071266 593379655 /nfs/dbraw/zinc/37/96/55/593379655.db2.gz AGXGTIAFGUFIER-LLVKDONJSA-N -1 2 347.385 1.924 20 0 EDADLM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000831068132 594547985 /nfs/dbraw/zinc/54/79/85/594547985.db2.gz YKVPISUFBJLYEC-ZETCQYMHSA-N -1 2 336.127 1.445 20 0 EDADLM COC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cn1C ZINC000831328814 594608667 /nfs/dbraw/zinc/60/86/67/594608667.db2.gz ZOQRHNVCSXDUAS-UHFFFAOYSA-N -1 2 344.370 1.372 20 0 EDADLM O=C([O-])N1CCC[C@@H](NC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000831592699 594686074 /nfs/dbraw/zinc/68/60/74/594686074.db2.gz SRCMCCJKXWMKHO-LLVKDONJSA-N -1 2 330.344 1.450 20 0 EDADLM COc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)nc1 ZINC000832419672 594749118 /nfs/dbraw/zinc/74/91/18/594749118.db2.gz XNEAFAUDIDUBRY-WTKPLQERSA-N -1 2 334.353 1.989 20 0 EDADLM Cc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])c(C)c1O ZINC000832950337 594786989 /nfs/dbraw/zinc/78/69/89/594786989.db2.gz KBYNTYAMLDXFRC-UHFFFAOYSA-N -1 2 328.371 1.965 20 0 EDADLM Cc1cc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000833742878 594920301 /nfs/dbraw/zinc/92/03/01/594920301.db2.gz AUUJYUIWFJTWMR-SNVBAGLBSA-N -1 2 346.343 1.214 20 0 EDADLM Cc1ccc(F)c(N2CC(=O)C(C(=O)[N-]O[C@@H](CO)C(C)C)=N2)c1 ZINC000836892771 595010221 /nfs/dbraw/zinc/01/02/21/595010221.db2.gz GYQKXCZROBBTEF-AWEZNQCLSA-N -1 2 337.351 1.704 20 0 EDADLM CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757278 595529134 /nfs/dbraw/zinc/52/91/34/595529134.db2.gz BBODDPRPFMCCSG-UTUOFQBUSA-N -1 2 337.386 1.631 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c(C)s1 ZINC000863953929 596727755 /nfs/dbraw/zinc/72/77/55/596727755.db2.gz DZIZNYSERZSUNG-SNVBAGLBSA-N -1 2 333.431 1.917 20 0 EDADLM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000872485610 596931450 /nfs/dbraw/zinc/93/14/50/596931450.db2.gz RBPGHMDVLOBOEE-NRFANRHFSA-N -1 2 348.494 1.450 20 0 EDADLM C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000563192879 306322423 /nfs/dbraw/zinc/32/24/23/306322423.db2.gz OWHAWONQMKUWRH-ZDUSSCGKSA-N -1 2 329.404 1.592 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000274926527 540057144 /nfs/dbraw/zinc/05/71/44/540057144.db2.gz CEKWKHQWAVUUAS-OIBJUYFYSA-N -1 2 343.298 1.692 20 0 EDADLM COc1cccc([C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])c1 ZINC000275339099 540058962 /nfs/dbraw/zinc/05/89/62/540058962.db2.gz UZBBBRHBXKOXJC-XVKPBYJWSA-N -1 2 341.307 1.691 20 0 EDADLM O=C(CSc1n[nH]c(=O)[nH]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000377818809 447372405 /nfs/dbraw/zinc/37/24/05/447372405.db2.gz MNRYXAIOCYZIEG-UHFFFAOYSA-N -1 2 325.438 1.079 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000120321213 442049450 /nfs/dbraw/zinc/04/94/50/442049450.db2.gz HIHWRVCXUSOKMB-UHFFFAOYSA-N -1 2 349.290 1.938 20 0 EDADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)c1 ZINC000357330933 445552092 /nfs/dbraw/zinc/55/20/92/445552092.db2.gz IAXFKAXUVBLELN-UHFFFAOYSA-N -1 2 339.354 1.829 20 0 EDADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000361986352 446129978 /nfs/dbraw/zinc/12/99/78/446129978.db2.gz QBZDZVHSADCYHT-UHFFFAOYSA-N -1 2 337.357 1.337 20 0 EDADLM COc1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])ccc1F ZINC000527314761 448208663 /nfs/dbraw/zinc/20/86/63/448208663.db2.gz CFLFFTPTUBHNLZ-UHFFFAOYSA-N -1 2 329.309 1.067 20 0 EDADLM C[C@H](CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)[N@H+]1CCCC[C@@H]1C ZINC000516607318 448446846 /nfs/dbraw/zinc/44/68/46/448446846.db2.gz GPNKIUFFJWRTAA-WDEREUQCSA-N -1 2 345.403 1.429 20 0 EDADLM C[N@H+]1CCO[C@H](CNC(=O)c2cccc(Br)c2O)C1 ZINC000518574371 448693511 /nfs/dbraw/zinc/69/35/11/448693511.db2.gz GEXXUNXNBZHRPK-SECBINFHSA-N -1 2 329.194 1.215 20 0 EDADLM O=C([O-])CN(CC1CC1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000663117812 453691749 /nfs/dbraw/zinc/69/17/49/453691749.db2.gz BGXQLQJBQUXTOA-UHFFFAOYSA-N -1 2 333.319 1.654 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C(F)F ZINC000677551885 487117457 /nfs/dbraw/zinc/11/74/57/487117457.db2.gz JQVUGQIYYOEAAU-UHFFFAOYSA-N -1 2 349.290 1.996 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnoc2)cc1Br ZINC000673885347 487147216 /nfs/dbraw/zinc/14/72/16/487147216.db2.gz VWQRYZUQYQCTNT-UHFFFAOYSA-N -1 2 347.146 1.936 20 0 EDADLM O=C([O-])NC1(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)CCCC1 ZINC000740542860 579358632 /nfs/dbraw/zinc/35/86/32/579358632.db2.gz MBVMJCLFWHBKOO-UHFFFAOYSA-N -1 2 332.316 1.549 20 0 EDADLM O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000740575311 579363139 /nfs/dbraw/zinc/36/31/39/579363139.db2.gz WNBKYQSNNCSQAM-GHMZBOCLSA-N -1 2 332.316 1.405 20 0 EDADLM O=C([O-])N[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000740577526 579363406 /nfs/dbraw/zinc/36/34/06/579363406.db2.gz WKYWNNMGMQKIHX-ZYHUDNBSSA-N -1 2 346.343 1.795 20 0 EDADLM COCc1csc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000737836876 578636957 /nfs/dbraw/zinc/63/69/57/578636957.db2.gz XVVBPFXSBZFCGS-UHFFFAOYSA-N -1 2 328.371 1.789 20 0 EDADLM CC(C)n1cc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)cn1 ZINC000736533490 578996475 /nfs/dbraw/zinc/99/64/75/578996475.db2.gz ZTLUXPJEGVTKQI-UHFFFAOYSA-N -1 2 339.373 1.728 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)ccc1F ZINC000749013393 579710135 /nfs/dbraw/zinc/71/01/35/579710135.db2.gz NIUDHPJMQQPQEK-UHFFFAOYSA-N -1 2 349.290 1.786 20 0 EDADLM CC(C)n1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cn1 ZINC000751190628 579796763 /nfs/dbraw/zinc/79/67/63/579796763.db2.gz RMTBRLGDUKSIQA-UHFFFAOYSA-N -1 2 325.346 1.669 20 0 EDADLM CO[C@H]1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)[C@H](C(=O)[O-])C1 ZINC000909983127 592740170 /nfs/dbraw/zinc/74/01/70/592740170.db2.gz QWPIWZJNMXJBCA-KWQFWETISA-N -1 2 331.727 1.889 20 0 EDADLM CCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)nn1C ZINC000817353181 593594326 /nfs/dbraw/zinc/59/43/26/593594326.db2.gz QAAYFFNOKMTGFZ-UHFFFAOYSA-N -1 2 341.364 1.929 20 0 EDADLM Cc1[nH+]c[nH]c1CNC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000822010367 593982041 /nfs/dbraw/zinc/98/20/41/593982041.db2.gz ZSNVZMPHPBMVQP-UHFFFAOYSA-N -1 2 329.389 1.307 20 0 EDADLM O=C(NCCc1cn2c([nH+]1)CCCC2)c1ccc(-c2nn[nH]n2)s1 ZINC000823224176 594172291 /nfs/dbraw/zinc/17/22/91/594172291.db2.gz SBSILLUUCPQQLK-UHFFFAOYSA-N -1 2 343.416 1.434 20 0 EDADLM CCc1cccc(CC)c1S(=O)(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000830265765 594364785 /nfs/dbraw/zinc/36/47/85/594364785.db2.gz ONDYCPSVVPEPJP-UHFFFAOYSA-N -1 2 338.389 1.288 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)NCC(C)(C)C(=O)[O-])=N1 ZINC000830270695 594365557 /nfs/dbraw/zinc/36/55/57/594365557.db2.gz YBRQZZSTLVBNSZ-UHFFFAOYSA-N -1 2 331.372 1.981 20 0 EDADLM O=C([N-]OC1CCOCC1)C1=NN(c2ccc(F)cc2F)CC1=O ZINC000832389217 594746742 /nfs/dbraw/zinc/74/67/42/594746742.db2.gz AMAGEKLKIBZLBI-UHFFFAOYSA-N -1 2 339.298 1.697 20 0 EDADLM COc1ccc(OC)c(NS(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000832435251 594750395 /nfs/dbraw/zinc/75/03/95/594750395.db2.gz CNKZFUVIRCPDOS-UHFFFAOYSA-N -1 2 344.370 1.659 20 0 EDADLM CSCc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000832771044 594775553 /nfs/dbraw/zinc/77/55/53/594775553.db2.gz WUGROMAJZZGHRM-UHFFFAOYSA-N -1 2 341.414 1.632 20 0 EDADLM Cc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])c2n[nH]cc21 ZINC000832950645 594786939 /nfs/dbraw/zinc/78/69/39/594786939.db2.gz ROFYRSYBGDGEAD-UHFFFAOYSA-N -1 2 338.370 1.827 20 0 EDADLM Cc1[nH]nc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)c1C(=O)[O-] ZINC000832992166 594789670 /nfs/dbraw/zinc/78/96/70/594789670.db2.gz ZUUVFSBUGGRKRB-UHFFFAOYSA-N -1 2 345.406 1.366 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000833346948 594831737 /nfs/dbraw/zinc/83/17/37/594831737.db2.gz XODIDEMYUFTRFO-UHFFFAOYSA-N -1 2 328.327 1.371 20 0 EDADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cnc(Cl)n1C ZINC000833742012 594920073 /nfs/dbraw/zinc/92/00/73/594920073.db2.gz ZUIIPKOJKCUXQC-UHFFFAOYSA-N -1 2 335.794 1.942 20 0 EDADLM Cc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000123507941 596479678 /nfs/dbraw/zinc/47/96/78/596479678.db2.gz YVXFNGLDGYRAPJ-UHFFFAOYSA-N -1 2 333.778 1.999 20 0 EDADLM Cc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)s1 ZINC000123507257 596479705 /nfs/dbraw/zinc/47/97/05/596479705.db2.gz ILXSNBPVLXNBCS-UHFFFAOYSA-N -1 2 327.387 1.962 20 0 EDADLM Cn1cc(S(=O)(=O)NC(=O)CCCCC(=O)[O-])c2ccccc21 ZINC000863957832 596730337 /nfs/dbraw/zinc/73/03/37/596730337.db2.gz UWHLOCHTMJQTDT-UHFFFAOYSA-N -1 2 338.385 1.628 20 0 EDADLM O=C([O-])Cn1cc(NS(=O)(=O)c2cccc3ccccc32)cn1 ZINC000391110430 601782140 /nfs/dbraw/zinc/78/21/40/601782140.db2.gz ZQOLYYSIIDNESI-UHFFFAOYSA-N -1 2 331.353 1.922 20 0 EDADLM C[C@H](NS(=O)(=O)c1cc(Cl)ccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000919982064 697377653 /nfs/dbraw/zinc/37/76/53/697377653.db2.gz QWVAGGIMRJZIAN-GWCFXTLKSA-N -1 2 349.859 1.392 20 0 EDADLM CC(C)(C)N1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)c2ccccc2O)C1=O ZINC001038074425 702530108 /nfs/dbraw/zinc/53/01/08/702530108.db2.gz OTAUTGYIYGTYLP-UKRRQHHQSA-N -1 2 345.443 1.596 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1 ZINC000236722708 139029513 /nfs/dbraw/zinc/02/95/13/139029513.db2.gz PWRMALBHXWYVLC-CYBMUJFWSA-N -1 2 335.335 1.864 20 0 EDADLM CC(C)C[C@H](CNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(=O)[O-] ZINC000569363002 306505658 /nfs/dbraw/zinc/50/56/58/306505658.db2.gz VNPGZXWODRFLEL-GFCCVEGCSA-N -1 2 333.344 1.507 20 0 EDADLM COC[C@@H](C)n1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000488987171 255061817 /nfs/dbraw/zinc/06/18/17/255061817.db2.gz WNNZBTVMSCDDJR-MRVPVSSYSA-N -1 2 345.402 1.651 20 0 EDADLM COCCCO[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000496473858 255396045 /nfs/dbraw/zinc/39/60/45/255396045.db2.gz BPLHMZRZTBLVSD-QMMMGPOBSA-N -1 2 330.303 1.526 20 0 EDADLM CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cc1O ZINC000355008253 150073450 /nfs/dbraw/zinc/07/34/50/150073450.db2.gz URTJMIOIPCRSQY-CQSZACIVSA-N -1 2 348.378 1.967 20 0 EDADLM CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)cc1O ZINC000355008253 150073451 /nfs/dbraw/zinc/07/34/51/150073451.db2.gz URTJMIOIPCRSQY-CQSZACIVSA-N -1 2 348.378 1.967 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cn(C)nc2C)c(C(=O)[O-])c1 ZINC000352431276 162177084 /nfs/dbraw/zinc/17/70/84/162177084.db2.gz LLPYOLPULLENPG-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2c(C)n[nH]c2C)c1 ZINC000316954513 303763837 /nfs/dbraw/zinc/76/38/37/303763837.db2.gz ZUKZOGHELPHQRI-UHFFFAOYSA-N -1 2 325.346 1.534 20 0 EDADLM CCc1nc(C[NH2+]CCNS(=O)(=O)c2cccs2)cs1 ZINC000122176413 441837958 /nfs/dbraw/zinc/83/79/58/441837958.db2.gz YPNMMRFDXZYGPN-UHFFFAOYSA-N -1 2 331.488 1.835 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c(O)c1 ZINC000340738171 444494493 /nfs/dbraw/zinc/49/44/93/444494493.db2.gz KPYAVVZTVYHOTR-UHFFFAOYSA-N -1 2 347.299 1.353 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000337151689 444963881 /nfs/dbraw/zinc/96/38/81/444963881.db2.gz KBRINJNXVLMTDR-UHFFFAOYSA-N -1 2 325.346 1.187 20 0 EDADLM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000583934901 326169114 /nfs/dbraw/zinc/16/91/14/326169114.db2.gz ZWPMOMNMPWRJHP-CABZTGNLSA-N -1 2 331.328 1.213 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CCC[N@@H+]([C@H](C)CO)CC3)c[n-]c2[nH+]1 ZINC000372694911 447228587 /nfs/dbraw/zinc/22/85/87/447228587.db2.gz MGBUUCVMULHJEV-CYBMUJFWSA-N -1 2 344.415 1.173 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CCC[N@H+]([C@H](C)CO)CC3)c[n-]c2[nH+]1 ZINC000372694911 447228596 /nfs/dbraw/zinc/22/85/96/447228596.db2.gz MGBUUCVMULHJEV-CYBMUJFWSA-N -1 2 344.415 1.173 20 0 EDADLM C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(Br)c2O)C1 ZINC000518574372 448693697 /nfs/dbraw/zinc/69/36/97/448693697.db2.gz GEXXUNXNBZHRPK-VIFPVBQESA-N -1 2 329.194 1.215 20 0 EDADLM CS(=O)(=O)C1(CNC(=O)c2cccc3[nH]nnc32)CCCCC1 ZINC000618485039 450219060 /nfs/dbraw/zinc/21/90/60/450219060.db2.gz GUGQMHVPYGLBLX-UHFFFAOYSA-N -1 2 336.417 1.435 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cccnc2OC)cc1C(=O)[O-] ZINC000315476241 491247802 /nfs/dbraw/zinc/24/78/02/491247802.db2.gz PJRNHJWKZSPDKF-UHFFFAOYSA-N -1 2 325.346 1.411 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3C[C@@H](C)N(C(=O)[O-])[C@H](C)C3)c[nH]c2n1 ZINC000740157538 579295116 /nfs/dbraw/zinc/29/51/16/579295116.db2.gz ZFSIEQBTMQUOCO-GHMZBOCLSA-N -1 2 344.371 1.857 20 0 EDADLM Cn1nc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000776428272 580417093 /nfs/dbraw/zinc/41/70/93/580417093.db2.gz WURGSPZSHHMKIO-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM O=C([O-])[C@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)Cc2ccccc21 ZINC000909427450 591558654 /nfs/dbraw/zinc/55/86/54/591558654.db2.gz XVYOMDYKLCKRTA-GWCFXTLKSA-N -1 2 326.356 1.120 20 0 EDADLM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)Cc2ccccc21 ZINC000909427453 591558761 /nfs/dbraw/zinc/55/87/61/591558761.db2.gz XVYOMDYKLCKRTA-ZWNOBZJWSA-N -1 2 326.356 1.120 20 0 EDADLM CCn1c(C)cc2[nH]nc(NC(=O)[C@H]3CCC[N@H+]3C(C)C)c2c1=O ZINC000899175258 591719173 /nfs/dbraw/zinc/71/91/73/591719173.db2.gz VHHNQVUDOZZTLN-CYBMUJFWSA-N -1 2 331.420 1.864 20 0 EDADLM C[C@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC[C@@H]1C(=O)[O-] ZINC000902175677 591932287 /nfs/dbraw/zinc/93/22/87/591932287.db2.gz NFDNMMLSWIRPCR-GWCFXTLKSA-N -1 2 347.346 1.900 20 0 EDADLM CCS(=O)(=O)NC1CC[NH+](Cc2cc(O)ccc2Cl)CC1 ZINC000903011734 592101326 /nfs/dbraw/zinc/10/13/26/592101326.db2.gz DIXLWLXMMYOXRO-UHFFFAOYSA-N -1 2 332.853 1.949 20 0 EDADLM O=C(CN(CC(=O)NOC1CCC1)c1ccccc1)[N-]OC1CCC1 ZINC000812789405 593509370 /nfs/dbraw/zinc/50/93/70/593509370.db2.gz YDTGXWFOILQDDG-UHFFFAOYSA-N -1 2 347.415 1.694 20 0 EDADLM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000815978372 593665919 /nfs/dbraw/zinc/66/59/19/593665919.db2.gz RYLUELOWROTWBF-VIFPVBQESA-N -1 2 344.355 1.078 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N[C@H](C(=O)[O-])C(C)C)=N2)cc1 ZINC000820805339 593894329 /nfs/dbraw/zinc/89/43/29/593894329.db2.gz TVCFFCJZHCINSW-ZDUSSCGKSA-N -1 2 333.344 1.426 20 0 EDADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2c[nH]nc2C(F)(F)F)c1 ZINC000821177488 593983971 /nfs/dbraw/zinc/98/39/71/593983971.db2.gz FVBQYXAQGDWJEF-UHFFFAOYSA-N -1 2 349.290 1.856 20 0 EDADLM O=C1CC2(CN1)CCN(c1c(-c3nn[nH]n3)c[nH+]c3ccccc31)CC2 ZINC000823525261 594214214 /nfs/dbraw/zinc/21/42/14/594214214.db2.gz JKNKQOWXRSPYDH-UHFFFAOYSA-N -1 2 349.398 1.521 20 0 EDADLM CCc1cc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)no1 ZINC000830224144 594358163 /nfs/dbraw/zinc/35/81/63/594358163.db2.gz GGFRVZYOZRQTOW-UHFFFAOYSA-N -1 2 340.357 1.891 20 0 EDADLM C[C@@H]1CC/C(=C/C(=O)NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828201570 594363793 /nfs/dbraw/zinc/36/37/93/594363793.db2.gz UNKJRFATFZTPHZ-XZZQCUQZSA-N -1 2 329.399 1.998 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cn1 ZINC000830424448 594394102 /nfs/dbraw/zinc/39/41/02/594394102.db2.gz RLYCMKPETXAKRG-UHFFFAOYSA-N -1 2 330.391 1.178 20 0 EDADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000021857599 601318818 /nfs/dbraw/zinc/31/88/18/601318818.db2.gz DVNRMKSVJUNPFU-RMKNXTFCSA-N -1 2 335.385 1.936 20 0 EDADLM Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3ncccc3O)[C@@H](C)C2)cn1 ZINC000941994363 702328378 /nfs/dbraw/zinc/32/83/78/702328378.db2.gz WSZQLLRLQDZZNE-WFASDCNBSA-N -1 2 341.415 1.526 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@](C)(C(=O)[O-])C2)=N1 ZINC000263196896 139327853 /nfs/dbraw/zinc/32/78/53/139327853.db2.gz UKHCQTORJGHKHT-KRWDZBQOSA-N -1 2 347.346 1.962 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000271403704 140290962 /nfs/dbraw/zinc/29/09/62/140290962.db2.gz WAVDMFXDTXYGSU-UHFFFAOYSA-N -1 2 339.373 1.247 20 0 EDADLM COc1ccccc1[C@@H]1CN(C(=O)c2ccc(O)cc2O)CC[NH2+]1 ZINC000374331087 157247477 /nfs/dbraw/zinc/24/74/77/157247477.db2.gz XWTZWEHZAMEDOH-HNNXBMFYSA-N -1 2 328.368 1.893 20 0 EDADLM CC(C)CCc1nc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cs1 ZINC000279068510 273278184 /nfs/dbraw/zinc/27/81/84/273278184.db2.gz MJVJGQXIJBVMNL-INIZCTEOSA-N -1 2 336.461 1.906 20 0 EDADLM CS(=O)(=O)Cc1noc(=NC(=O)c2cc3ccccc3cc2O)[n-]1 ZINC000436538306 305160098 /nfs/dbraw/zinc/16/00/98/305160098.db2.gz QKBXHTKRUMLRLO-UHFFFAOYSA-N -1 2 347.352 1.147 20 0 EDADLM CS(=O)(=O)Cc1nc(=NC(=O)c2cc3ccccc3cc2O)o[n-]1 ZINC000436538306 305160099 /nfs/dbraw/zinc/16/00/99/305160099.db2.gz QKBXHTKRUMLRLO-UHFFFAOYSA-N -1 2 347.352 1.147 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1 ZINC000436993957 305171503 /nfs/dbraw/zinc/17/15/03/305171503.db2.gz JIZFGXWGONMQFJ-UHFFFAOYSA-N -1 2 347.299 1.353 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc3ncccc3c2)c1C(=O)[O-] ZINC000538094655 306030212 /nfs/dbraw/zinc/03/02/12/306030212.db2.gz CBMXSZROTPLNSL-UHFFFAOYSA-N -1 2 332.341 1.467 20 0 EDADLM COCC(C)(C)CCCNC(=O)Cc1c(C)nc2cc[nH]n2c1=O ZINC000288237643 443815428 /nfs/dbraw/zinc/81/54/28/443815428.db2.gz QEASMJGGYRAPHQ-UHFFFAOYSA-N -1 2 334.420 1.855 20 0 EDADLM CC(C)c1nn(C)cc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000290552443 444294274 /nfs/dbraw/zinc/29/42/74/444294274.db2.gz QQVSIYTZGBDQLU-UHFFFAOYSA-N -1 2 337.401 1.971 20 0 EDADLM Cn1nccc1S(=O)(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000353940254 445819705 /nfs/dbraw/zinc/81/97/05/445819705.db2.gz IGDZWWUHBRBAFW-UHFFFAOYSA-N -1 2 347.356 1.105 20 0 EDADLM Cc1ccc(O)c(C(=O)N2CC[N@@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000368398090 446838226 /nfs/dbraw/zinc/83/82/26/446838226.db2.gz QPEUTZMOLTUZDJ-HOTGVXAUSA-N -1 2 347.459 1.178 20 0 EDADLM COc1ccnc(N2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)n1 ZINC000459342972 447640482 /nfs/dbraw/zinc/64/04/82/447640482.db2.gz SCOCLSLVKCMIKT-UHFFFAOYSA-N -1 2 342.403 1.180 20 0 EDADLM CCOC(=O)c1ncc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)[nH]1 ZINC000618906955 450334337 /nfs/dbraw/zinc/33/43/37/450334337.db2.gz CMZWQBHKDQNKMX-UHFFFAOYSA-N -1 2 341.393 1.240 20 0 EDADLM COCc1csc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000738072844 579156934 /nfs/dbraw/zinc/15/69/34/579156934.db2.gz KCXCZJZDNVBNET-UHFFFAOYSA-N -1 2 346.361 1.928 20 0 EDADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000765141350 580136004 /nfs/dbraw/zinc/13/60/04/580136004.db2.gz AGADEZXPJUXCAU-UHFFFAOYSA-N -1 2 340.332 1.657 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nn1C ZINC000793413286 580843652 /nfs/dbraw/zinc/84/36/52/580843652.db2.gz XOEGOMJWEDHNGG-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2ccc(OC)cc2OC)[n-]1 ZINC000895232995 591669822 /nfs/dbraw/zinc/66/98/22/591669822.db2.gz BICJWOXJNATZDG-JTQLQIEISA-N -1 2 334.376 1.849 20 0 EDADLM CCOC(=O)c1n[nH]c([C@H](C)[NH2+]Cc2ccc(OC)cc2OC)n1 ZINC000895232995 591669826 /nfs/dbraw/zinc/66/98/26/591669826.db2.gz BICJWOXJNATZDG-JTQLQIEISA-N -1 2 334.376 1.849 20 0 EDADLM CN1C(=O)CCC[C@@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000895437392 591757994 /nfs/dbraw/zinc/75/79/94/591757994.db2.gz UTTLMCJTIGYENL-SNVBAGLBSA-N -1 2 335.314 1.699 20 0 EDADLM CC(=O)NCCCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(Cl)cc21 ZINC000735473528 592984219 /nfs/dbraw/zinc/98/42/19/592984219.db2.gz JBGVINQZJUDKAC-UHFFFAOYSA-N -1 2 345.794 1.428 20 0 EDADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000819063596 593736765 /nfs/dbraw/zinc/73/67/65/593736765.db2.gz ITZILCQBBYANCW-UHFFFAOYSA-N -1 2 329.765 1.501 20 0 EDADLM Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cn1 ZINC000822477144 594054283 /nfs/dbraw/zinc/05/42/83/594054283.db2.gz HXDREQXENHZWGR-UHFFFAOYSA-N -1 2 335.331 1.336 20 0 EDADLM C[C@@H](CNC(=O)[O-])N(C)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000824967917 594107041 /nfs/dbraw/zinc/10/70/41/594107041.db2.gz XJKROHWHUXBGLS-VIFPVBQESA-N -1 2 336.323 1.445 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)=N1 ZINC000830270118 594365614 /nfs/dbraw/zinc/36/56/14/594365614.db2.gz LNWIAQIDUJPCDU-AAEUAGOBSA-N -1 2 343.383 1.933 20 0 EDADLM CCC(=O)c1cccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC000828580927 594456930 /nfs/dbraw/zinc/45/69/30/594456930.db2.gz YTLILMGIGFXQDR-UHFFFAOYSA-N -1 2 337.357 1.361 20 0 EDADLM N=C1NC(=O)[C@@H](CC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)S1 ZINC000831238924 594588985 /nfs/dbraw/zinc/58/89/85/594588985.db2.gz BKZHXYTURKUWIE-LLVKDONJSA-N -1 2 348.384 1.218 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)S1 ZINC000831238924 594588987 /nfs/dbraw/zinc/58/89/87/594588987.db2.gz BKZHXYTURKUWIE-LLVKDONJSA-N -1 2 348.384 1.218 20 0 EDADLM COc1ccc(NC(=O)[O-])c(NC(=O)CC2SC(=N)NC2=O)c1 ZINC000829469912 594620994 /nfs/dbraw/zinc/62/09/94/594620994.db2.gz ZSCWAJRYFRWNEF-SECBINFHSA-N -1 2 338.345 1.280 20 0 EDADLM COc1ccc(NC(=O)[O-])c(NC(=O)C[C@H]2SC(=N)NC2=O)c1 ZINC000829469912 594620997 /nfs/dbraw/zinc/62/09/97/594620997.db2.gz ZSCWAJRYFRWNEF-SECBINFHSA-N -1 2 338.345 1.280 20 0 EDADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ncc(C)o1 ZINC000831470283 594636904 /nfs/dbraw/zinc/63/69/04/594636904.db2.gz GSDUFFFUYLPTML-UHFFFAOYSA-N -1 2 346.342 1.330 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)=N1 ZINC000832890236 594783228 /nfs/dbraw/zinc/78/32/28/594783228.db2.gz SUSWJUSUPFQHEI-CMPLNLGQSA-N -1 2 347.346 1.818 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(C3CC3)s2)cs1 ZINC000833306472 594824057 /nfs/dbraw/zinc/82/40/57/594824057.db2.gz WNLFQSWTVOQVTB-UHFFFAOYSA-N -1 2 331.400 1.976 20 0 EDADLM COC1(C[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])CCC1 ZINC000844827116 595400558 /nfs/dbraw/zinc/40/05/58/595400558.db2.gz YVADLKGLFKBNFA-JGVFFNPUSA-N -1 2 333.328 1.269 20 0 EDADLM C[C@@H]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1NC(=O)C(F)(F)F ZINC000853986461 595942022 /nfs/dbraw/zinc/94/20/22/595942022.db2.gz JPYBEWJKCVIWQJ-SCZZXKLOSA-N -1 2 330.310 1.074 20 0 EDADLM CC(C)[C@@H](C(=O)[O-])C(=O)NS(=O)(=O)c1cnc2ccccc2c1 ZINC000863959423 596731565 /nfs/dbraw/zinc/73/15/65/596731565.db2.gz DNVAMKRMFZJGAC-CYBMUJFWSA-N -1 2 336.369 1.397 20 0 EDADLM C[NH+](C)Cc1csc(CNS(=O)(=O)C[C@]2(C)CC2(F)F)n1 ZINC000921081666 697511523 /nfs/dbraw/zinc/51/15/23/697511523.db2.gz JVXCTFMJENXLLN-NSHDSACASA-N -1 2 339.433 1.669 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NCCc1nc(CC(=O)[O-])cs1 ZINC000275362820 540059181 /nfs/dbraw/zinc/05/91/81/540059181.db2.gz XQQKSMYIQWWALW-ZCFIWIBFSA-N -1 2 346.352 1.183 20 0 EDADLM CCn1cc[nH+]c1CS(=O)(=O)c1n[nH]c(Cc2ccccc2)n1 ZINC000195286237 139012525 /nfs/dbraw/zinc/01/25/25/139012525.db2.gz XBWARNCKLAHLIJ-UHFFFAOYSA-N -1 2 331.401 1.586 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cc(OC)ccc2C(=O)[O-])cn1 ZINC000340090466 142262424 /nfs/dbraw/zinc/26/24/24/142262424.db2.gz LLAGTVHZRFZJKR-UHFFFAOYSA-N -1 2 325.346 1.411 20 0 EDADLM Cn1ncc2c1[nH]cc(C(=O)NC[C@H](O)CCc1ccccc1)c2=O ZINC000345760896 143130144 /nfs/dbraw/zinc/13/01/44/143130144.db2.gz FEPUYBFUJKLJPY-CYBMUJFWSA-N -1 2 340.383 1.397 20 0 EDADLM C[S@](=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000346663642 143228413 /nfs/dbraw/zinc/22/84/13/143228413.db2.gz ARWVDSCCLPEZGP-FQEVSTJZSA-N -1 2 345.423 1.985 20 0 EDADLM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)nn1C ZINC000318751190 303764633 /nfs/dbraw/zinc/76/46/33/303764633.db2.gz BXRIPYMSBBYTFR-UHFFFAOYSA-N -1 2 329.309 1.067 20 0 EDADLM CCO[C@@H]1C[C@](NS(=O)(=O)[C@@H](C)C(F)(F)F)(C(=O)[O-])C1(C)C ZINC000548357489 306125356 /nfs/dbraw/zinc/12/53/56/306125356.db2.gz KKFXLGDROUEDFF-RNSXUZJQSA-N -1 2 347.355 1.515 20 0 EDADLM Cc1cccc(Cn2[nH]cc/c2=N\C(=O)C[N@H+]2CCC[C@](C)(O)C2)c1 ZINC000124141796 441909689 /nfs/dbraw/zinc/90/96/89/441909689.db2.gz VELZUVOHJYZQLL-MXTRNAPSSA-N -1 2 342.443 1.447 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000314372425 444300107 /nfs/dbraw/zinc/30/01/07/444300107.db2.gz ZCYNKBROXFBBCQ-UHFFFAOYSA-N -1 2 325.346 1.242 20 0 EDADLM O=C([O-])c1ccccc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000340731118 444492079 /nfs/dbraw/zinc/49/20/79/444492079.db2.gz AMHKGWCMNVANFS-UHFFFAOYSA-N -1 2 331.300 1.647 20 0 EDADLM Cc1[nH+]ccn1CCCNC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000338976946 444965625 /nfs/dbraw/zinc/96/56/25/444965625.db2.gz YQZWNLVFKZQRRM-UHFFFAOYSA-N -1 2 325.372 1.969 20 0 EDADLM Cc1[nH+]ccn1CCCNC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000338976946 444965628 /nfs/dbraw/zinc/96/56/28/444965628.db2.gz YQZWNLVFKZQRRM-UHFFFAOYSA-N -1 2 325.372 1.969 20 0 EDADLM CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459491473 447686611 /nfs/dbraw/zinc/68/66/11/447686611.db2.gz MHBDRWWMXFFSQX-CQSZACIVSA-N -1 2 339.461 1.849 20 0 EDADLM CO[C@@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000530170977 449069284 /nfs/dbraw/zinc/06/92/84/449069284.db2.gz VJLKELJOJGEGSO-HKUYNNGSSA-N -1 2 348.443 1.453 20 0 EDADLM NC(=O)c1ccc(N2CC[NH+](Cc3cc(O)ccc3Cl)CC2)nc1 ZINC000625231456 451227608 /nfs/dbraw/zinc/22/76/08/451227608.db2.gz UEHWJRBPPVUBSC-UHFFFAOYSA-N -1 2 346.818 1.862 20 0 EDADLM O=C([O-])CCC1CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000659775613 452670199 /nfs/dbraw/zinc/67/01/99/452670199.db2.gz YXKUNQYTLVTOQW-UHFFFAOYSA-N -1 2 345.355 1.747 20 0 EDADLM O=C([O-])C1(CNc2cc(NCC3(C(=O)[O-])CCC3)[nH+]cn2)CCC1 ZINC000662897542 453592391 /nfs/dbraw/zinc/59/23/91/453592391.db2.gz KVPIPBSDLJKHIC-UHFFFAOYSA-N -1 2 334.376 1.810 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)c[nH]1 ZINC000737679694 578308943 /nfs/dbraw/zinc/30/89/43/578308943.db2.gz CGKMHIXKIWNXJL-UHFFFAOYSA-N -1 2 325.298 1.267 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cn1 ZINC000737303200 579069093 /nfs/dbraw/zinc/06/90/93/579069093.db2.gz SWXSRPQALFOBQF-UHFFFAOYSA-N -1 2 328.325 1.933 20 0 EDADLM COCc1csc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000737836285 579132151 /nfs/dbraw/zinc/13/21/51/579132151.db2.gz PWASNSLFHLXQJM-UHFFFAOYSA-N -1 2 334.400 1.850 20 0 EDADLM Cn1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000767736515 580198266 /nfs/dbraw/zinc/19/82/66/580198266.db2.gz KBINBBGZIOXTME-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C1CC1 ZINC000769868499 580247481 /nfs/dbraw/zinc/24/74/81/580247481.db2.gz MMHJTGGWPLBCDE-UHFFFAOYSA-N -1 2 327.387 1.858 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000776562352 580420729 /nfs/dbraw/zinc/42/07/29/580420729.db2.gz PMPBQUFPDOPMHB-ONGXEEELSA-N -1 2 339.335 1.800 20 0 EDADLM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000909860967 592708430 /nfs/dbraw/zinc/70/84/30/592708430.db2.gz GJECLRCVAYZGBL-XIKOKIGWSA-N -1 2 340.383 1.165 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])=N1 ZINC000910442919 592864509 /nfs/dbraw/zinc/86/45/09/592864509.db2.gz LHMLIHYPTKGVFX-AAEUAGOBSA-N -1 2 347.346 1.778 20 0 EDADLM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000910588948 592878627 /nfs/dbraw/zinc/87/86/27/592878627.db2.gz ANIRHPXBEDDIIS-KWQFWETISA-N -1 2 331.727 1.937 20 0 EDADLM Cc1ccc(OCc2ccc(C(=O)Nn3c(=O)[n-][nH]c3=O)o2)c(C)c1 ZINC000816731449 593544497 /nfs/dbraw/zinc/54/44/97/593544497.db2.gz ROKFDGSZVUEOLB-UHFFFAOYSA-N -1 2 344.327 1.862 20 0 EDADLM Cc1ccc(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)o3)C2=O)cc1 ZINC000822241027 594017345 /nfs/dbraw/zinc/01/73/45/594017345.db2.gz JBPOTFWHHCPTLA-AWEZNQCLSA-N -1 2 338.371 1.663 20 0 EDADLM Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000822477117 594054409 /nfs/dbraw/zinc/05/44/09/594054409.db2.gz GUCSDHVNYADUOA-CYBMUJFWSA-N -1 2 338.375 1.071 20 0 EDADLM C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OCCn1cc[nH+]c1 ZINC000824755830 594069478 /nfs/dbraw/zinc/06/94/78/594069478.db2.gz LNQIMDIDFJWLBF-LLVKDONJSA-N -1 2 328.332 1.074 20 0 EDADLM CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC000830574789 594426297 /nfs/dbraw/zinc/42/62/97/594426297.db2.gz BRTMLANHSGDKHW-UHFFFAOYSA-N -1 2 349.368 1.282 20 0 EDADLM CN1CCc2ccc(S(=O)(=O)Nc3csnc3C(=O)[O-])cc21 ZINC000830968726 594528521 /nfs/dbraw/zinc/52/85/21/594528521.db2.gz OWZKPHXRCNTPAP-UHFFFAOYSA-N -1 2 339.398 1.634 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)cs1 ZINC000831348453 594612340 /nfs/dbraw/zinc/61/23/40/594612340.db2.gz OPJJSCUAYAOUCR-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Oc2cc(C(=O)[O-])ccc2C)c[nH]1 ZINC000831353985 594613403 /nfs/dbraw/zinc/61/34/03/594613403.db2.gz RCURCIXYAKLTLX-UHFFFAOYSA-N -1 2 339.325 1.576 20 0 EDADLM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)s1 ZINC000831444966 594632132 /nfs/dbraw/zinc/63/21/32/594632132.db2.gz YUWWOYVNNJPBAB-UHFFFAOYSA-N -1 2 344.370 1.372 20 0 EDADLM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000832480945 594753409 /nfs/dbraw/zinc/75/34/09/594753409.db2.gz CEDOWYKIDYOSOF-VXGBXAGGSA-N -1 2 346.343 1.196 20 0 EDADLM COc1ccc2c(c1)[nH]cc(C(=O)N1CC[C@](F)(C(=O)[O-])C1)c2=O ZINC000832487354 594753891 /nfs/dbraw/zinc/75/38/91/594753891.db2.gz ZJZIXOMRCQHKSZ-MRXNPFEDSA-N -1 2 334.303 1.176 20 0 EDADLM Cn1cc(NS(=O)(=O)c2cccc3c2OCCO3)cc1C(=O)[O-] ZINC000833052787 594794520 /nfs/dbraw/zinc/79/45/20/594794520.db2.gz IYFOBNSUHFDICL-UHFFFAOYSA-N -1 2 338.341 1.295 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)N[C@@H]2CCCCCC[C@@H]2C(=O)[O-])S1 ZINC000833089739 594797029 /nfs/dbraw/zinc/79/70/29/594797029.db2.gz WTZIVHAJKDEOFH-AEJSXWLSSA-N -1 2 327.406 1.083 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000843294702 595064592 /nfs/dbraw/zinc/06/45/92/595064592.db2.gz PPSOKIYMQXZQKX-CRCLSJGQSA-N -1 2 332.325 1.773 20 0 EDADLM CC(C)(O)CO[N-]C(=O)C1=NN(c2ccc(F)cc2F)CC1=O ZINC000834618112 595176408 /nfs/dbraw/zinc/17/64/08/595176408.db2.gz BPGQZVKNNRXHMX-UHFFFAOYSA-N -1 2 327.287 1.288 20 0 EDADLM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)cc1 ZINC000391347895 600576079 /nfs/dbraw/zinc/57/60/79/600576079.db2.gz RBDSADWZQQADOZ-UHFFFAOYSA-N -1 2 336.325 1.367 20 0 EDADLM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000560347535 306265101 /nfs/dbraw/zinc/26/51/01/306265101.db2.gz QTLUYLDMKOJJOM-LLVKDONJSA-N -1 2 339.359 1.111 20 0 EDADLM Cc1nn(C)c(C)c1[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000275078367 540058070 /nfs/dbraw/zinc/05/80/70/540058070.db2.gz MSNVJSJZGBENFD-APPZFPTMSA-N -1 2 343.327 1.033 20 0 EDADLM Cc1nc2cc[nH]n2c(=O)c1CC(=O)NCCCCCCCC(=O)[O-] ZINC000262187000 139258365 /nfs/dbraw/zinc/25/83/65/139258365.db2.gz SXCHQFVFPXLRQL-UHFFFAOYSA-N -1 2 348.403 1.827 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000175976276 207178665 /nfs/dbraw/zinc/17/86/65/207178665.db2.gz ZGASPIZRAKSGRC-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM CCC(CC)(CNC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)C(=O)[O-] ZINC000424249058 252179493 /nfs/dbraw/zinc/17/94/93/252179493.db2.gz OAGGUZJLICBIPD-UHFFFAOYSA-N -1 2 348.359 1.365 20 0 EDADLM C[C@@H](C(=O)[O-])[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000263052868 139319816 /nfs/dbraw/zinc/31/98/16/139319816.db2.gz DPFXLZOMDQGSBP-XJKSGUPXSA-N -1 2 333.432 1.343 20 0 EDADLM Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2c(O)cccc2O)CC1 ZINC000271420929 140293638 /nfs/dbraw/zinc/29/36/38/140293638.db2.gz ZJQZVLAQEZWGOH-UHFFFAOYSA-N -1 2 344.415 1.406 20 0 EDADLM COc1ccsc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000367137613 154019487 /nfs/dbraw/zinc/01/94/87/154019487.db2.gz CVYOODRTAJEJHK-NWDGAFQWSA-N -1 2 346.474 1.288 20 0 EDADLM C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(=O)n1O ZINC000373839805 157028478 /nfs/dbraw/zinc/02/84/78/157028478.db2.gz TWWUWUJBZPZUAN-HNNXBMFYSA-N -1 2 341.411 1.822 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000436909760 305169385 /nfs/dbraw/zinc/16/93/85/305169385.db2.gz ZEKBKMJVLJPTMO-UHFFFAOYSA-N -1 2 334.313 1.163 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c1 ZINC000436909760 305169386 /nfs/dbraw/zinc/16/93/86/305169386.db2.gz ZEKBKMJVLJPTMO-UHFFFAOYSA-N -1 2 334.313 1.163 20 0 EDADLM Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cnc2n1CCC2 ZINC000547873049 306114271 /nfs/dbraw/zinc/11/42/71/306114271.db2.gz AWVOYALVJFXHPI-UHFFFAOYSA-N -1 2 339.348 1.776 20 0 EDADLM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)cc1 ZINC000426305813 447415296 /nfs/dbraw/zinc/41/52/96/447415296.db2.gz DOGDZFBJYIRCKX-UHFFFAOYSA-N -1 2 348.340 1.222 20 0 EDADLM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)NNC(=O)CCC(C)C ZINC000066589422 441548548 /nfs/dbraw/zinc/54/85/48/441548548.db2.gz NHMMCNPINJANSR-UHFFFAOYSA-N -1 2 344.389 1.145 20 0 EDADLM CC[N@H+]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)[C@@H](C)C1 ZINC000288528180 443908177 /nfs/dbraw/zinc/90/81/77/443908177.db2.gz RPHOYKABPYPKOY-NSHDSACASA-N -1 2 346.456 1.388 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H](C(=O)[O-])C(C)C)=N1 ZINC000577063879 321619782 /nfs/dbraw/zinc/61/97/82/321619782.db2.gz NDCCAVZNQRPQJF-CQSZACIVSA-N -1 2 331.372 1.979 20 0 EDADLM Cc1cc(CS(=O)(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000330174913 444873154 /nfs/dbraw/zinc/87/31/54/444873154.db2.gz IRBSQOKSQSHJIC-BETUJISGSA-N -1 2 345.465 1.290 20 0 EDADLM Cn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)n1 ZINC000339074385 445020421 /nfs/dbraw/zinc/02/04/21/445020421.db2.gz KTJZCHHRRRBQTJ-UHFFFAOYSA-N -1 2 349.290 1.938 20 0 EDADLM Cc1c(O)ccc2c(C[N@H+]3CC[C@@H]4CCOC(=O)[C@H]43)cc(=O)oc12 ZINC000373449458 446222436 /nfs/dbraw/zinc/22/24/36/446222436.db2.gz UZZVFNMFSVYMAU-BZNIZROVSA-N -1 2 329.352 1.944 20 0 EDADLM COc1cc(OC)c(NS(=O)(=O)c2cccnc2)c(C(=O)[O-])c1 ZINC000547879509 448943235 /nfs/dbraw/zinc/94/32/35/448943235.db2.gz QHTQANNGQYFQCN-UHFFFAOYSA-N -1 2 338.341 1.598 20 0 EDADLM COc1ccccc1[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000548531316 449056427 /nfs/dbraw/zinc/05/64/27/449056427.db2.gz ZFCCCPFCHPMYSS-GMSGAONNSA-N -1 2 341.307 1.691 20 0 EDADLM O=C(c1ccc(O)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635683668 451166585 /nfs/dbraw/zinc/16/65/85/451166585.db2.gz JUXPJHXQZPLEGH-HUUCEWRRSA-N -1 2 340.383 1.203 20 0 EDADLM O=C([O-])CC1(NC(=O)N=c2ncn(Cc3ccccc3)[nH]2)CCC1 ZINC000649539042 452133953 /nfs/dbraw/zinc/13/39/53/452133953.db2.gz IKRGUTVHSSMEDU-UHFFFAOYSA-N -1 2 329.360 1.267 20 0 EDADLM C[C@@H](NCc1cccc(O)c1Br)[C@H]1C[N@@H+](C)CCO1 ZINC000656507350 453231393 /nfs/dbraw/zinc/23/13/93/453231393.db2.gz OXLXDKCGJNHNAD-ZWNOBZJWSA-N -1 2 329.238 1.963 20 0 EDADLM CC(C)[C@H](CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C(=O)[O-] ZINC000663121793 453692916 /nfs/dbraw/zinc/69/29/16/453692916.db2.gz QZMDTTRWUDAVLY-LBPRGKRZSA-N -1 2 335.335 1.804 20 0 EDADLM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000679648154 487452387 /nfs/dbraw/zinc/45/23/87/487452387.db2.gz RMWFOYKLGLRXEY-SSDOTTSWSA-N -1 2 342.277 1.663 20 0 EDADLM C[S@](=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000738180491 578612184 /nfs/dbraw/zinc/61/21/84/578612184.db2.gz VVAFGPGQOOOGHR-FQEVSTJZSA-N -1 2 345.423 1.985 20 0 EDADLM Cc1ccc2c([n-]cc(C(=O)N3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)c2=O)[nH+]1 ZINC000740153419 579294424 /nfs/dbraw/zinc/29/44/24/579294424.db2.gz KMWUSGXRUPGUQT-TVQRCGJNSA-N -1 2 344.371 1.762 20 0 EDADLM Cc1ccc2c(n1)[nH]cc(C(=O)N1CC[C@@H](NC(=O)[O-])[C@@H](C)C1)c2=O ZINC000740153419 579294425 /nfs/dbraw/zinc/29/44/25/579294425.db2.gz KMWUSGXRUPGUQT-TVQRCGJNSA-N -1 2 344.371 1.762 20 0 EDADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751145398 579795237 /nfs/dbraw/zinc/79/52/37/579795237.db2.gz FTQKFJBOWDUMNQ-UHFFFAOYSA-N -1 2 345.327 1.814 20 0 EDADLM Nc1ccc(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(O)c1 ZINC000751428527 579806222 /nfs/dbraw/zinc/80/62/22/579806222.db2.gz PRAJYBSZCBHQQJ-INIZCTEOSA-N -1 2 341.411 1.605 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2[nH]c1=S ZINC000769511684 580238791 /nfs/dbraw/zinc/23/87/91/580238791.db2.gz MDACDSLOOFHYCG-SNVBAGLBSA-N -1 2 347.396 1.252 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NCCc1ccc(CC(=O)[O-])cc1 ZINC000776549372 580420309 /nfs/dbraw/zinc/42/03/09/580420309.db2.gz PONRYKRFLNQOCN-VIFPVBQESA-N -1 2 339.335 1.726 20 0 EDADLM Cc1ccc(-n2nc(C(=O)Nn3c(=O)[n-][nH]c3=O)c3c2CCC3)cc1 ZINC000816732795 593544751 /nfs/dbraw/zinc/54/47/51/593544751.db2.gz VLWLJBRVLZZLDO-UHFFFAOYSA-N -1 2 340.343 1.056 20 0 EDADLM C[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000820778101 593888055 /nfs/dbraw/zinc/88/80/55/593888055.db2.gz VUSCKDFYWZFREI-GWCFXTLKSA-N -1 2 349.826 1.072 20 0 EDADLM CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825424911 594183156 /nfs/dbraw/zinc/18/31/56/594183156.db2.gz SJRUMHQUOAXJTD-JTQLQIEISA-N -1 2 336.396 1.372 20 0 EDADLM CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825424911 594183157 /nfs/dbraw/zinc/18/31/57/594183157.db2.gz SJRUMHQUOAXJTD-JTQLQIEISA-N -1 2 336.396 1.372 20 0 EDADLM CC(C)c1nnc(NS(=O)(=O)c2csnc2C(=O)[O-])s1 ZINC000827168699 594650209 /nfs/dbraw/zinc/65/02/09/594650209.db2.gz SLIPTIBOGASPHG-UHFFFAOYSA-N -1 2 334.404 1.617 20 0 EDADLM O=C([O-])NC[C@@H]1CCCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000832567981 594760074 /nfs/dbraw/zinc/76/00/74/594760074.db2.gz KLYQURBJYGEMCV-LBPRGKRZSA-N -1 2 330.344 1.450 20 0 EDADLM O=C([O-])c1cc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)ccn1 ZINC000833159571 594801830 /nfs/dbraw/zinc/80/18/30/594801830.db2.gz YHOONIUZBBFIRM-UHFFFAOYSA-N -1 2 326.268 1.375 20 0 EDADLM O=C([O-])CCc1nnc(NS(=O)(=O)c2cccc(F)c2F)s1 ZINC000833241981 594812216 /nfs/dbraw/zinc/81/22/16/594812216.db2.gz NOZSNEPBDMTSJM-UHFFFAOYSA-N -1 2 349.340 1.634 20 0 EDADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000833267603 594816412 /nfs/dbraw/zinc/81/64/12/594816412.db2.gz NSMUVSXZIPRDPO-UHFFFAOYSA-N -1 2 339.398 1.843 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)o1 ZINC000833323891 594827226 /nfs/dbraw/zinc/82/72/26/594827226.db2.gz AIBBDSZXGUEQDN-UHFFFAOYSA-N -1 2 341.326 1.890 20 0 EDADLM CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C(=O)[O-])no2)c1 ZINC000833665995 594901375 /nfs/dbraw/zinc/90/13/75/594901375.db2.gz OSAAPGRDEZJCNI-UHFFFAOYSA-N -1 2 340.313 1.124 20 0 EDADLM COCc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000833726241 594917009 /nfs/dbraw/zinc/91/70/09/594917009.db2.gz XOUJMYXCARDUGP-UHFFFAOYSA-N -1 2 342.398 1.717 20 0 EDADLM C[C@H](CNS(=O)(=O)c1cccnc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848475302 595388480 /nfs/dbraw/zinc/38/84/80/595388480.db2.gz LIBMCOCLBWFBCW-UTUOFQBUSA-N -1 2 347.868 1.511 20 0 EDADLM CC(C)n1cc(S(=O)(=O)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cn1 ZINC000863963835 596734566 /nfs/dbraw/zinc/73/45/66/596734566.db2.gz IKJWLIYVVOATTK-JTQLQIEISA-N -1 2 331.394 1.016 20 0 EDADLM Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000319831067 600756549 /nfs/dbraw/zinc/75/65/49/600756549.db2.gz WTEHGWIWIZIKDF-UHFFFAOYSA-N -1 2 337.382 1.751 20 0 EDADLM O=C(NC1C[NH+](Cc2ccccc2)C1)c1ccc2c(c1)C(=O)NC2=O ZINC001031278878 696108909 /nfs/dbraw/zinc/10/89/09/696108909.db2.gz DRTXFNFGGAUNHJ-UHFFFAOYSA-N -1 2 335.363 1.184 20 0 EDADLM COc1cccc([C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])c1 ZINC000275338063 540058951 /nfs/dbraw/zinc/05/89/51/540058951.db2.gz UZBBBRHBXKOXJC-GMSGAONNSA-N -1 2 341.307 1.691 20 0 EDADLM Cc1c(Cl)cccc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000038030384 213193892 /nfs/dbraw/zinc/19/38/92/213193892.db2.gz TYYATOKUBIFHJW-UHFFFAOYSA-N -1 2 329.765 1.730 20 0 EDADLM C[C@H](CN(C)C(=O)N=c1nc(-c2ccsc2)[nH]s1)C(=O)[O-] ZINC000417782964 251268478 /nfs/dbraw/zinc/26/84/78/251268478.db2.gz GMIWKKOPDBAFPH-SSDOTTSWSA-N -1 2 326.403 1.873 20 0 EDADLM CCn1nccc1S(=O)(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000471986207 255018970 /nfs/dbraw/zinc/01/89/70/255018970.db2.gz WILHWYSNTUUGHG-NSHDSACASA-N -1 2 337.401 1.967 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)nn1C ZINC000331459511 141033412 /nfs/dbraw/zinc/03/34/12/141033412.db2.gz BALQLTUHDBJSPU-UHFFFAOYSA-N -1 2 335.385 1.716 20 0 EDADLM Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@]4(C3)NC(=O)NC4=O)o2)cc1 ZINC000333101486 141264189 /nfs/dbraw/zinc/26/41/89/141264189.db2.gz CVLGQNSDFKWQAG-QGZVFWFLSA-N -1 2 341.371 1.219 20 0 EDADLM O=C(Nc1cnns1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000430011516 305043010 /nfs/dbraw/zinc/04/30/10/305043010.db2.gz OCUJAHHZEKLHCW-UHFFFAOYSA-N -1 2 348.432 1.392 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C(F)(F)F ZINC000436156559 305153330 /nfs/dbraw/zinc/15/33/30/305153330.db2.gz SDTDYTGQMYBPIJ-UHFFFAOYSA-N -1 2 349.290 1.938 20 0 EDADLM Cc1noc2ncc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc12 ZINC000438777007 305189066 /nfs/dbraw/zinc/18/90/66/305189066.db2.gz WWXSTKTVKUNTOX-UHFFFAOYSA-N -1 2 336.329 1.369 20 0 EDADLM COc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000570074223 321336646 /nfs/dbraw/zinc/33/66/46/321336646.db2.gz CWSHQCCZYFMEEF-QMMMGPOBSA-N -1 2 349.792 1.968 20 0 EDADLM CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC000294877168 444153082 /nfs/dbraw/zinc/15/30/82/444153082.db2.gz VGMIWPGYCPEJRL-HSZRJFAPSA-N -1 2 343.420 1.808 20 0 EDADLM COC(=O)c1coc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000289485938 444156511 /nfs/dbraw/zinc/15/65/11/444156511.db2.gz OPFSKAVBWNQETB-JTQLQIEISA-N -1 2 348.321 1.957 20 0 EDADLM CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289393217 444127858 /nfs/dbraw/zinc/12/78/58/444127858.db2.gz KIKBTMFRYSGKDI-JTQLQIEISA-N -1 2 334.376 1.420 20 0 EDADLM CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289393218 444128031 /nfs/dbraw/zinc/12/80/31/444128031.db2.gz KIKBTMFRYSGKDI-SNVBAGLBSA-N -1 2 334.376 1.420 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1-n1cncn1 ZINC000324791582 444358931 /nfs/dbraw/zinc/35/89/31/444358931.db2.gz LUERTPUGPBWPOS-UHFFFAOYSA-N -1 2 349.328 1.063 20 0 EDADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1c(C)noc1C ZINC000354620999 445318065 /nfs/dbraw/zinc/31/80/65/445318065.db2.gz KQPBDMUDCXJEDA-UHFFFAOYSA-N -1 2 340.357 1.728 20 0 EDADLM Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ncccc2O)cc1 ZINC000570085650 447945128 /nfs/dbraw/zinc/94/51/28/447945128.db2.gz VSPVWWCLGQYYRH-UHFFFAOYSA-N -1 2 335.429 1.506 20 0 EDADLM CC(C)(C)OC(=O)NC(C(=O)[N-]OC[C@@H]1CCOC1)C(F)(F)F ZINC000497010089 448119945 /nfs/dbraw/zinc/11/99/45/448119945.db2.gz VZZZWDSPHKQORA-BDAKNGLRSA-N -1 2 342.314 1.526 20 0 EDADLM C[C@@H](Sc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1)C(=O)[O-] ZINC000507587414 448146160 /nfs/dbraw/zinc/14/61/60/448146160.db2.gz YRLZEPADDROCAZ-MRVPVSSYSA-N -1 2 327.387 1.776 20 0 EDADLM CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(OC)ccc1O ZINC000632298360 451182099 /nfs/dbraw/zinc/18/20/99/451182099.db2.gz JVAQHIBJWCGUMS-LBPRGKRZSA-N -1 2 328.434 1.506 20 0 EDADLM C[C@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C[C@@H]1C(=O)[O-] ZINC000663058227 453665306 /nfs/dbraw/zinc/66/53/06/453665306.db2.gz SSDACMOXJWBNDA-GWCFXTLKSA-N -1 2 347.346 1.900 20 0 EDADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1nccs1 ZINC000737717008 578638378 /nfs/dbraw/zinc/63/83/78/578638378.db2.gz FXAFZSRYDBVWHI-UHFFFAOYSA-N -1 2 348.383 1.490 20 0 EDADLM O=C([O-])Cn1cc(NS(=O)(=O)c2cc(F)c(F)cc2F)cn1 ZINC000739911635 579266906 /nfs/dbraw/zinc/26/69/06/579266906.db2.gz ISKHHHGSMCULMK-UHFFFAOYSA-N -1 2 335.263 1.186 20 0 EDADLM O=C([O-])Cn1ccc(NS(=O)(=O)c2ccc3ncccc3c2)n1 ZINC000739920928 579268323 /nfs/dbraw/zinc/26/83/23/579268323.db2.gz WVLRLACCWIQHRN-UHFFFAOYSA-N -1 2 332.341 1.317 20 0 EDADLM CO[C@@H]1CN(C(=O)c2cc(F)c(O)c(Cl)c2)[C@@](C)(C(=O)[O-])C1 ZINC000910264066 592812736 /nfs/dbraw/zinc/81/27/36/592812736.db2.gz NHJICRQYUFQKLN-RMLUDKJBSA-N -1 2 331.727 1.889 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)=N1 ZINC000910798413 592892907 /nfs/dbraw/zinc/89/29/07/592892907.db2.gz BIBWPUBLNXYUSO-JYAVWHMHSA-N -1 2 341.367 1.543 20 0 EDADLM C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C[C@H]1n1cc[nH+]c1 ZINC000820715324 593869604 /nfs/dbraw/zinc/86/96/04/593869604.db2.gz ALAHJTXBDQGSHN-SMDDNHRTSA-N -1 2 338.375 1.182 20 0 EDADLM CC1=CC[N@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824859931 594085657 /nfs/dbraw/zinc/08/56/57/594085657.db2.gz SAOLJLASVDZHNH-UHFFFAOYSA-N -1 2 333.417 1.292 20 0 EDADLM CC1=CC[N@@H+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824859931 594085659 /nfs/dbraw/zinc/08/56/59/594085659.db2.gz SAOLJLASVDZHNH-UHFFFAOYSA-N -1 2 333.417 1.292 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2CCN(C(=O)[O-])CC2)=N1 ZINC000827599600 594241932 /nfs/dbraw/zinc/24/19/32/594241932.db2.gz HMSRLJJSKPZOPF-UHFFFAOYSA-N -1 2 344.371 1.576 20 0 EDADLM CCOC(=O)c1csc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000829890448 594284376 /nfs/dbraw/zinc/28/43/76/594284376.db2.gz SMSABNPSMUUNLS-UHFFFAOYSA-N -1 2 345.358 1.147 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@H](NC(=O)[O-])C2)=N1 ZINC000830069386 594329944 /nfs/dbraw/zinc/32/99/44/594329944.db2.gz XLBCCYQGCMPFFR-NSHDSACASA-N -1 2 348.334 1.508 20 0 EDADLM O=C(C[NH+]1CC2(C1)CC(F)(F)C2)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826409782 594464065 /nfs/dbraw/zinc/46/40/65/594464065.db2.gz OWYYBKVPMUAROE-UHFFFAOYSA-N -1 2 334.330 1.536 20 0 EDADLM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000828634624 594469360 /nfs/dbraw/zinc/46/93/60/594469360.db2.gz USQMSBZJAFOMBC-HNNXBMFYSA-N -1 2 334.332 1.118 20 0 EDADLM COc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])cc(OC)c1 ZINC000832030276 594720727 /nfs/dbraw/zinc/72/07/27/594720727.db2.gz LCKIYYYHDIWGBI-UHFFFAOYSA-N -1 2 344.370 1.659 20 0 EDADLM O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000832288201 594740544 /nfs/dbraw/zinc/74/05/44/594740544.db2.gz SGLHHCMBWIYWCA-MWLCHTKSSA-N -1 2 332.316 1.405 20 0 EDADLM O=C([O-])NCC1(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)CCCC1 ZINC000832443024 594750882 /nfs/dbraw/zinc/75/08/82/594750882.db2.gz KXOOKYHGSREBMH-UHFFFAOYSA-N -1 2 346.343 1.796 20 0 EDADLM Cc1cc2cccnc2c(S(=O)(=O)Nc2ncn(CC(=O)[O-])n2)c1 ZINC000832904303 594784273 /nfs/dbraw/zinc/78/42/73/594784273.db2.gz FZOMXTMKMMWUPU-UHFFFAOYSA-N -1 2 347.356 1.020 20 0 EDADLM Cc1ccnc(-n2nccc2NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000832983252 594788923 /nfs/dbraw/zinc/78/89/23/594788923.db2.gz RLKJZYHTJCFRCH-UHFFFAOYSA-N -1 2 347.356 1.403 20 0 EDADLM O=C([O-])c1ccc(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1F ZINC000833153521 594801502 /nfs/dbraw/zinc/80/15/02/594801502.db2.gz KZINQSSEQFRVDD-UHFFFAOYSA-N -1 2 344.258 1.526 20 0 EDADLM O=C([O-])c1csc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 ZINC000833784935 594928869 /nfs/dbraw/zinc/92/88/69/594928869.db2.gz UEBLNDZFXKYGNQ-VIFPVBQESA-N -1 2 343.386 1.405 20 0 EDADLM CO[C@H](C[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])C1CC1 ZINC000848683827 595428502 /nfs/dbraw/zinc/42/85/02/595428502.db2.gz YAMRELLPYXOMJE-CNUIFLNQSA-N -1 2 333.328 1.125 20 0 EDADLM CCc1nnc([C@H](C)[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)[nH]1 ZINC000852060357 596027023 /nfs/dbraw/zinc/02/70/23/596027023.db2.gz DFHCUTZTCCABCF-UWVGGRQHSA-N -1 2 333.358 1.819 20 0 EDADLM CCc1nnc([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)[nH]1 ZINC000852060357 596027026 /nfs/dbraw/zinc/02/70/26/596027026.db2.gz DFHCUTZTCCABCF-UWVGGRQHSA-N -1 2 333.358 1.819 20 0 EDADLM Cc1nnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000123507019 596479497 /nfs/dbraw/zinc/47/94/97/596479497.db2.gz XTVGEZCXJCLNMA-UHFFFAOYSA-N -1 2 333.778 1.999 20 0 EDADLM O=C([O-])c1cccc(NS(=O)(=O)c2cccnc2Cl)c1O ZINC000124649038 597383344 /nfs/dbraw/zinc/38/33/44/597383344.db2.gz UFJWMMVMNYMIAM-UHFFFAOYSA-N -1 2 328.733 1.940 20 0 EDADLM COc1cccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000124096922 600052872 /nfs/dbraw/zinc/05/28/72/600052872.db2.gz SIPMCZZIJHGJSF-UHFFFAOYSA-N -1 2 328.371 1.580 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000318543752 601501615 /nfs/dbraw/zinc/50/16/15/601501615.db2.gz LAJHHDOZMWMPRL-VMPITWQZSA-N -1 2 339.398 1.999 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)cn1 ZINC000229987893 601985744 /nfs/dbraw/zinc/98/57/44/601985744.db2.gz BBKRVODTLWUORP-UHFFFAOYSA-N -1 2 333.728 1.561 20 0 EDADLM C[C@H]1C[N@H+](Cc2ccns2)CC[C@@H]1NC(=O)c1ncccc1O ZINC000941994764 702345641 /nfs/dbraw/zinc/34/56/41/702345641.db2.gz ZDIGWCHPQMJOCP-AAEUAGOBSA-N -1 2 332.429 1.884 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1C(=O)[O-] ZINC000271006689 540047696 /nfs/dbraw/zinc/04/76/96/540047696.db2.gz COHFKXICWBBKDD-UHFFFAOYSA-N -1 2 340.405 1.860 20 0 EDADLM O=C([O-])CC[C@H](Cc1ccccc1)NS(=O)(=O)CC(F)(F)F ZINC000262594406 304061526 /nfs/dbraw/zinc/06/15/26/304061526.db2.gz ILVXXOKPXOOSPV-LLVKDONJSA-N -1 2 339.335 1.944 20 0 EDADLM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000263347985 139337301 /nfs/dbraw/zinc/33/73/01/139337301.db2.gz PAVROGANCAESID-NEPJUHHUSA-N -1 2 329.356 1.761 20 0 EDADLM CCn1nccc1S(=O)(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000471897511 255016533 /nfs/dbraw/zinc/01/65/33/255016533.db2.gz HEVAXLTVPDDUHH-UHFFFAOYSA-N -1 2 334.357 1.883 20 0 EDADLM CC(C)[C@H](C(=O)[O-])N1CC[C@H](N=c2nc(C(C)(C)C)[nH]s2)C1=O ZINC000416442651 304318579 /nfs/dbraw/zinc/31/85/79/304318579.db2.gz FVECWTRSMQUXAD-VHSXEESVSA-N -1 2 340.449 1.380 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cccc3c2OCCO3)cc1C(=O)[O-] ZINC000340127271 142274452 /nfs/dbraw/zinc/27/44/52/142274452.db2.gz YBPVMYLQWAMSIZ-UHFFFAOYSA-N -1 2 338.341 1.295 20 0 EDADLM COC(=O)c1nscc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000362003219 152583462 /nfs/dbraw/zinc/58/34/62/152583462.db2.gz URXDVUDYMAAAME-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c1C ZINC000273816953 268085506 /nfs/dbraw/zinc/08/55/06/268085506.db2.gz CBAMOKNQDNIXCS-UHFFFAOYSA-N -1 2 337.401 1.948 20 0 EDADLM O=C([O-])Cc1ccccc1NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000428093070 305007097 /nfs/dbraw/zinc/00/70/97/305007097.db2.gz CYQRSTPAAITESL-UHFFFAOYSA-N -1 2 340.295 1.315 20 0 EDADLM O=C(NCCc1cc(F)cc2c1OCOC2)c1cccc2[nH]nnc21 ZINC000182715522 442812082 /nfs/dbraw/zinc/81/20/82/442812082.db2.gz ITZAUOINOQXXHT-UHFFFAOYSA-N -1 2 342.330 1.936 20 0 EDADLM Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)o1 ZINC000571740912 321399129 /nfs/dbraw/zinc/39/91/29/321399129.db2.gz CDLRHIVLIOSVLG-GOSISDBHSA-N -1 2 340.383 1.824 20 0 EDADLM COCCn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000324061714 444349904 /nfs/dbraw/zinc/34/99/04/444349904.db2.gz WLIZEDRMQNSIPC-UHFFFAOYSA-N -1 2 343.336 1.168 20 0 EDADLM O=C([O-])Cc1cccc(S(=O)(=O)Nc2cnn(C(F)F)c2)c1 ZINC000357081962 445415363 /nfs/dbraw/zinc/41/53/63/445415363.db2.gz NYDQJMQACOVTEH-UHFFFAOYSA-N -1 2 331.300 1.706 20 0 EDADLM O=C([O-])CC[C@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000569222747 448982610 /nfs/dbraw/zinc/98/26/10/448982610.db2.gz NQPDCYWMIMPNNW-SECBINFHSA-N -1 2 346.343 1.153 20 0 EDADLM CCc1cc(=O)[nH]c(C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)n1 ZINC000625391008 450329517 /nfs/dbraw/zinc/32/95/17/450329517.db2.gz JNMNBCURLLPJEK-IBGZPJMESA-N -1 2 343.427 1.898 20 0 EDADLM O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1onc(C2CC2)c1Cl ZINC000631734885 450740837 /nfs/dbraw/zinc/74/08/37/450740837.db2.gz JCABXZIENARDJX-VIFPVBQESA-N -1 2 345.852 1.968 20 0 EDADLM C[C@@H]1CN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC[C@@H]1C(=O)[O-] ZINC000630561769 451245170 /nfs/dbraw/zinc/24/51/70/451245170.db2.gz RIALDYHQCYHFEX-BDAKNGLRSA-N -1 2 326.422 1.832 20 0 EDADLM C[N@@H+]1CCO[C@H]2CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)C[C@H]21 ZINC000671621678 486680043 /nfs/dbraw/zinc/68/00/43/486680043.db2.gz IDGXTRCYDWXMSC-WBVHZDCISA-N -1 2 327.384 1.073 20 0 EDADLM O=C([O-])N[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000740577524 579363418 /nfs/dbraw/zinc/36/34/18/579363418.db2.gz WKYWNNMGMQKIHX-JQWIXIFHSA-N -1 2 346.343 1.795 20 0 EDADLM COCCn1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000737829622 578893936 /nfs/dbraw/zinc/89/39/36/578893936.db2.gz QVDIVHZQAITCKM-UHFFFAOYSA-N -1 2 343.336 1.168 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)NC(C)(C)CC(=O)[O-])cc2[nH]c1=S ZINC000737296316 579068114 /nfs/dbraw/zinc/06/81/14/579068114.db2.gz WESKFURPZXWGNY-UHFFFAOYSA-N -1 2 349.412 1.688 20 0 EDADLM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(-c3nc(=O)o[nH]3)cc1)CC2 ZINC000739533471 579215958 /nfs/dbraw/zinc/21/59/58/579215958.db2.gz DNIJDAWYGYQJJR-LBPRGKRZSA-N -1 2 343.339 1.357 20 0 EDADLM O=C([O-])CSCc1cccc(NS(=O)(=O)c2cn[nH]c2)c1 ZINC000739874936 579262428 /nfs/dbraw/zinc/26/24/28/579262428.db2.gz YYUYSRYUTOQQSP-UHFFFAOYSA-N -1 2 327.387 1.528 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cn[nH]c2)c(OC(F)F)c1 ZINC000740155144 579294717 /nfs/dbraw/zinc/29/47/17/579294717.db2.gz MZUYOZAWLLAHED-UHFFFAOYSA-N -1 2 333.272 1.510 20 0 EDADLM CCCn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000768503932 580214853 /nfs/dbraw/zinc/21/48/53/580214853.db2.gz MAZYBJZLAQLNEQ-UHFFFAOYSA-N -1 2 327.337 1.931 20 0 EDADLM NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccc(O)c(F)c2)CC1 ZINC000894449404 591313185 /nfs/dbraw/zinc/31/31/85/591313185.db2.gz LWISPMOXJFLDPN-GOSISDBHSA-N -1 2 343.402 1.876 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2CC([C@H](F)C(=O)[O-])C2)=N1 ZINC000910136455 592772675 /nfs/dbraw/zinc/77/26/75/592772675.db2.gz ZPUGYESPZZMLAX-AWEZNQCLSA-N -1 2 347.346 1.635 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)c1 ZINC000808125267 593225580 /nfs/dbraw/zinc/22/55/80/593225580.db2.gz QHMIYJNMNWGAII-UHFFFAOYSA-N -1 2 349.320 1.562 20 0 EDADLM O=C(Nn1c(=O)[n-][nH]c1=O)c1csc(-c2ccccc2Cl)n1 ZINC000816733610 593544930 /nfs/dbraw/zinc/54/49/30/593544930.db2.gz FEDXUSCSQQWORK-UHFFFAOYSA-N -1 2 337.748 1.850 20 0 EDADLM C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)cn2C)C[C@@H]1n1cc[nH+]c1 ZINC000820716900 593870120 /nfs/dbraw/zinc/87/01/20/593870120.db2.gz MGZGZINPBRANQN-FZMZJTMJSA-N -1 2 340.391 1.125 20 0 EDADLM Cc1cc(C)c(-c2nn[nH]n2)c(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)[nH+]1 ZINC000822191078 594006280 /nfs/dbraw/zinc/00/62/80/594006280.db2.gz FPNQBOCSTTVMDQ-TZMCWYRMSA-N -1 2 343.435 1.035 20 0 EDADLM CCc1nnc(NCCCCn2cc[nH+]c2)c(-c2nn[nH]n2)c1CC ZINC000825770584 594242699 /nfs/dbraw/zinc/24/26/99/594242699.db2.gz CLDLINRTHDJLNA-UHFFFAOYSA-N -1 2 341.423 1.870 20 0 EDADLM C[C@H](C(=O)[O-])[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccccc1 ZINC000826031647 594311239 /nfs/dbraw/zinc/31/12/39/594311239.db2.gz QTQHUYNXIASKDP-PEXQALLHSA-N -1 2 335.385 1.121 20 0 EDADLM O=C(C[C@@H]1CCCN1C(=O)[O-])Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000831339901 594611072 /nfs/dbraw/zinc/61/10/72/594611072.db2.gz MUPNTHJKUPCWQI-NSHDSACASA-N -1 2 332.316 1.501 20 0 EDADLM COC(=O)c1ccc(NS(=O)(=O)c2c[nH]nc2C)cc1C(=O)[O-] ZINC000831434794 594629975 /nfs/dbraw/zinc/62/99/75/594629975.db2.gz DFJLNSIPGNUHPH-UHFFFAOYSA-N -1 2 339.329 1.004 20 0 EDADLM O=C(CN(CC1CC1)C(=O)[O-])Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000831464043 594635430 /nfs/dbraw/zinc/63/54/30/594635430.db2.gz KHLDSBQNIRIHBX-UHFFFAOYSA-N -1 2 332.316 1.358 20 0 EDADLM CC(C)c1nnc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000827168393 594650216 /nfs/dbraw/zinc/65/02/16/594650216.db2.gz DFGMXOWTBASIKK-UHFFFAOYSA-N -1 2 330.391 1.499 20 0 EDADLM COc1ccccc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000832633284 594765569 /nfs/dbraw/zinc/76/55/69/594765569.db2.gz SEQHIKYWOMILEM-UHFFFAOYSA-N -1 2 342.398 1.970 20 0 EDADLM COc1ncc(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832654172 594766932 /nfs/dbraw/zinc/76/69/32/594766932.db2.gz KIWJTYGDSSLOOE-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000833039455 594793355 /nfs/dbraw/zinc/79/33/55/594793355.db2.gz LIKBRCIAVPAVHQ-UHFFFAOYSA-N -1 2 344.780 1.642 20 0 EDADLM O=C([O-])C[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCO1 ZINC000833219544 594806956 /nfs/dbraw/zinc/80/69/56/594806956.db2.gz USJMKBSDYNCJRY-GFCCVEGCSA-N -1 2 349.318 1.033 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ncn(Cc3ccccc3)n2)c[nH]1 ZINC000833306306 594824180 /nfs/dbraw/zinc/82/41/80/594824180.db2.gz NGFJWHAAVVFROK-UHFFFAOYSA-N -1 2 347.356 1.154 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833678641 594904451 /nfs/dbraw/zinc/90/44/51/594904451.db2.gz SZTPNFLDVHIGAK-UHFFFAOYSA-N -1 2 327.337 1.621 20 0 EDADLM CC(C)n1cc(S(=O)(=O)NC(=O)[C@@H](C(=O)[O-])C2CCCC2)cn1 ZINC000863963840 596734670 /nfs/dbraw/zinc/73/46/70/596734670.db2.gz IKXXQHAXBZLKEO-LBPRGKRZSA-N -1 2 343.405 1.160 20 0 EDADLM CC1CC(n2nnc3c2C[N@H+](CCCNC(=O)C(F)(F)F)CC3)C1 ZINC000879330154 597887942 /nfs/dbraw/zinc/88/79/42/597887942.db2.gz TYDMEFBQNFMZPN-UHFFFAOYSA-N -1 2 345.369 1.676 20 0 EDADLM Cc1cccc([C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])c1 ZINC000275008538 540057619 /nfs/dbraw/zinc/05/76/19/540057619.db2.gz BLNGIRRQHZFCGL-SCZZXKLOSA-N -1 2 325.308 1.991 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c[nH]1 ZINC000049556841 214018494 /nfs/dbraw/zinc/01/84/94/214018494.db2.gz AACOJSNEHVLUOM-UHFFFAOYSA-N -1 2 327.387 1.849 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)C[C@@H](C)C(=O)[O-])=N1 ZINC000263245004 139330588 /nfs/dbraw/zinc/33/05/88/139330588.db2.gz SBWBCMPBHILILT-SNVBAGLBSA-N -1 2 335.335 1.818 20 0 EDADLM C[NH+](CC(=O)[O-])C[C@H]1C[N@@H+](CCCc2ccc3c(c2)CCO3)CCO1 ZINC000263503243 139345654 /nfs/dbraw/zinc/34/56/54/139345654.db2.gz LGODYMXJOKXPEA-KRWDZBQOSA-N -1 2 348.443 1.271 20 0 EDADLM Cc1n[nH]cc1S(=O)(=O)Nc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000439621330 305201258 /nfs/dbraw/zinc/20/12/58/305201258.db2.gz LVPQYUQQBVNUOR-UHFFFAOYSA-N -1 2 337.357 1.566 20 0 EDADLM COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000489020764 305561005 /nfs/dbraw/zinc/56/10/05/305561005.db2.gz XRWGYNDYHPEOMD-SNVBAGLBSA-N -1 2 339.373 1.590 20 0 EDADLM CCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cn1 ZINC000060817279 441259182 /nfs/dbraw/zinc/25/91/82/441259182.db2.gz WJWQOMCACDZVSE-UHFFFAOYSA-N -1 2 327.337 1.850 20 0 EDADLM O=C(C1CC1)N1CCC[N@H+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000121578194 441736006 /nfs/dbraw/zinc/73/60/06/441736006.db2.gz YUWBPVRMBAXDQA-UHFFFAOYSA-N -1 2 342.395 1.943 20 0 EDADLM Cc1cccc(C[C@@H](CO)NC(=O)c2c[nH]c3c(cnn3C)c2=O)c1 ZINC000191256487 443266948 /nfs/dbraw/zinc/26/69/48/443266948.db2.gz QWCLYUHNGSYDJF-ZDUSSCGKSA-N -1 2 340.383 1.316 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1 ZINC000269728863 443414791 /nfs/dbraw/zinc/41/47/91/443414791.db2.gz XHWDWSFMHPLOCA-GFCCVEGCSA-N -1 2 337.357 1.344 20 0 EDADLM COCCCn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000265254368 443585314 /nfs/dbraw/zinc/58/53/14/443585314.db2.gz HCBZHRBFTHUGSN-UHFFFAOYSA-N -1 2 339.373 1.419 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000439920369 320053630 /nfs/dbraw/zinc/05/36/30/320053630.db2.gz NAVPSOXPXCGCPZ-UHFFFAOYSA-N -1 2 345.340 1.157 20 0 EDADLM Cc1c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cnn1C ZINC000313916940 444298032 /nfs/dbraw/zinc/29/80/32/444298032.db2.gz AEYUXNSWJKIVBL-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM Cc1c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cnn1C ZINC000314130629 444298460 /nfs/dbraw/zinc/29/84/60/444298460.db2.gz KEFUQHRTAJYTEN-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM O=C([O-])c1cccc(NS(=O)(=O)c2c[nH]c3ncccc32)c1O ZINC000322147810 444339173 /nfs/dbraw/zinc/33/91/73/444339173.db2.gz DCFMRMJENOAYFE-UHFFFAOYSA-N -1 2 333.325 1.768 20 0 EDADLM Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2cc(F)cc3n[nH]nc32)CCO1 ZINC000332695188 444527698 /nfs/dbraw/zinc/52/76/98/444527698.db2.gz XKQMCVMBYIPSLE-IINYFYTJSA-N -1 2 344.350 1.481 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2c(C)noc2C)cc1C(=O)[O-] ZINC000354613610 445314771 /nfs/dbraw/zinc/31/47/71/445314771.db2.gz XBRLRBPDUXVZIO-UHFFFAOYSA-N -1 2 326.330 1.799 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)ccc1C ZINC000353828606 445773545 /nfs/dbraw/zinc/77/35/45/445773545.db2.gz RIRICWCXSUSEOY-UHFFFAOYSA-N -1 2 346.368 1.854 20 0 EDADLM O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c(F)cccc1F ZINC000363439753 445804378 /nfs/dbraw/zinc/80/43/78/445804378.db2.gz MCABTIUAIDUEHD-GHMZBOCLSA-N -1 2 332.372 1.106 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc1 ZINC000362030305 446167736 /nfs/dbraw/zinc/16/77/36/446167736.db2.gz VXWSYJCJOBUNNT-UHFFFAOYSA-N -1 2 331.300 1.647 20 0 EDADLM O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cnc4n3CCC4)ccc12 ZINC000362124180 446225847 /nfs/dbraw/zinc/22/58/47/446225847.db2.gz JNEJQMJLBZTBCG-UHFFFAOYSA-N -1 2 346.368 1.810 20 0 EDADLM Cc1onc(N)c1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000520413078 448895072 /nfs/dbraw/zinc/89/50/72/448895072.db2.gz MGZBWWXTGHKDBD-QMMMGPOBSA-N -1 2 339.373 1.944 20 0 EDADLM CC[C@@H](Cc1ccc(NS(=O)(=O)c2cnnn2C)cc1)C(=O)[O-] ZINC000650412136 452744511 /nfs/dbraw/zinc/74/45/11/452744511.db2.gz WZDNXJCQTOUGAQ-NSHDSACASA-N -1 2 338.389 1.269 20 0 EDADLM O=C([O-])C1CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC1 ZINC000663020398 453649146 /nfs/dbraw/zinc/64/91/46/453649146.db2.gz AQFRGNYVBBASSG-UHFFFAOYSA-N -1 2 333.319 1.654 20 0 EDADLM O=C([O-])CN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)C1CCC1 ZINC000663121904 453693016 /nfs/dbraw/zinc/69/30/16/453693016.db2.gz UHCQMHCRHHSYRR-UHFFFAOYSA-N -1 2 333.319 1.796 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C(F)F ZINC000677552445 487117181 /nfs/dbraw/zinc/11/71/81/487117181.db2.gz SAITUCLOVBKPGW-UHFFFAOYSA-N -1 2 345.327 1.786 20 0 EDADLM O=C([O-])c1cc(Br)cc(S(=O)(=O)Nc2cnoc2)c1 ZINC000677804491 487172214 /nfs/dbraw/zinc/17/22/14/487172214.db2.gz GFEVWZBFXGKUAP-UHFFFAOYSA-N -1 2 347.146 1.936 20 0 EDADLM C[S@@](=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000738180498 578612210 /nfs/dbraw/zinc/61/22/10/578612210.db2.gz VVAFGPGQOOOGHR-HXUWFJFHSA-N -1 2 345.423 1.985 20 0 EDADLM COc1cc(C)c(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)c(C)c1 ZINC000737868818 578692150 /nfs/dbraw/zinc/69/21/50/578692150.db2.gz RBSPGSHCNWRXOL-UHFFFAOYSA-N -1 2 339.373 1.394 20 0 EDADLM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C[C@@H]1c1ccccc1 ZINC000909837362 592698046 /nfs/dbraw/zinc/69/80/46/592698046.db2.gz XFKRFCSLHZSUKS-MGPQQGTHSA-N -1 2 340.383 1.236 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)=N1 ZINC000909810905 592846079 /nfs/dbraw/zinc/84/60/79/592846079.db2.gz SMYUXFPBXDVTFX-ZYHUDNBSSA-N -1 2 347.346 1.961 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1COC2=O ZINC000808128487 593225759 /nfs/dbraw/zinc/22/57/59/593225759.db2.gz XLELPFBHGBZYFY-UHFFFAOYSA-N -1 2 337.309 1.757 20 0 EDADLM O=C(O)c1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)C(F)F ZINC000817419925 593603862 /nfs/dbraw/zinc/60/38/62/593603862.db2.gz MQTNVNQQRCYVFY-UHFFFAOYSA-N -1 2 336.316 1.186 20 0 EDADLM C[N@@H+](Cc1nnc2ccccn21)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000821607176 593879026 /nfs/dbraw/zinc/87/90/26/593879026.db2.gz CCGHONJJGBYQER-UHFFFAOYSA-N -1 2 338.350 1.681 20 0 EDADLM O=C([O-])N[C@H]1CCC[C@H](C(=O)NS(=O)(=O)c2ccsc2)C1 ZINC000832323157 594742683 /nfs/dbraw/zinc/74/26/83/594742683.db2.gz BNANZZYBZYKWGL-IUCAKERBSA-N -1 2 332.403 1.379 20 0 EDADLM Cc1nc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c[nH]1 ZINC000833009663 594791073 /nfs/dbraw/zinc/79/10/73/594791073.db2.gz NRIHUAHGFZHSKH-UHFFFAOYSA-N -1 2 345.764 1.636 20 0 EDADLM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000833187172 594803269 /nfs/dbraw/zinc/80/32/69/594803269.db2.gz QLMKHLYOPFFCGO-GHMZBOCLSA-N -1 2 331.328 1.859 20 0 EDADLM C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NOCC[NH+](C)C ZINC000833859272 594950567 /nfs/dbraw/zinc/95/05/67/594950567.db2.gz FNYYMXXPLNBLHM-LLVKDONJSA-N -1 2 343.424 1.495 20 0 EDADLM CC(C)OCCO[N-]C(=O)C1=NN(c2ccc(F)cc2F)CC1=O ZINC000854579285 596125971 /nfs/dbraw/zinc/12/59/71/596125971.db2.gz ZUHHQWODLHJMQS-UHFFFAOYSA-N -1 2 341.314 1.943 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cn2)c[nH]1 ZINC000020373360 600978121 /nfs/dbraw/zinc/97/81/21/600978121.db2.gz MFFMEGMJFSGBJP-UHFFFAOYSA-N -1 2 346.162 1.671 20 0 EDADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)[C@@H]2CCO[C@@H]2C)c1OC ZINC000563226135 306324055 /nfs/dbraw/zinc/32/40/55/306324055.db2.gz MEKKKARPKWXYGT-PRHODGIISA-N -1 2 345.373 1.321 20 0 EDADLM Cc1cccc([C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])c1 ZINC000275008551 540057422 /nfs/dbraw/zinc/05/74/22/540057422.db2.gz BLNGIRRQHZFCGL-WPRPVWTQSA-N -1 2 325.308 1.991 20 0 EDADLM Cc1nn(C)c(C)c1[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000275078369 540058139 /nfs/dbraw/zinc/05/81/39/540058139.db2.gz MSNVJSJZGBENFD-IONNQARKSA-N -1 2 343.327 1.033 20 0 EDADLM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000263347986 139337292 /nfs/dbraw/zinc/33/72/92/139337292.db2.gz PAVROGANCAESID-NWDGAFQWSA-N -1 2 329.356 1.761 20 0 EDADLM CN(CCC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1)C(=O)OC(C)(C)C ZINC000496037893 255344981 /nfs/dbraw/zinc/34/49/81/255344981.db2.gz ZJBHIZKIAZQPOG-UHFFFAOYSA-N -1 2 349.435 1.711 20 0 EDADLM O=C([O-])c1ccccc1NC(=O)Cc1nc(=O)c2sccc2[nH]1 ZINC000053847785 441545618 /nfs/dbraw/zinc/54/56/18/441545618.db2.gz MDGHWTUCUQMCOU-UHFFFAOYSA-N -1 2 329.337 1.864 20 0 EDADLM O=C([O-])C[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000563277672 321104507 /nfs/dbraw/zinc/10/45/07/321104507.db2.gz YHUNMBXODXRTER-GOSISDBHSA-N -1 2 347.459 1.374 20 0 EDADLM Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(N3C(=O)CCCC3=O)CC2)n1 ZINC000365682495 446298894 /nfs/dbraw/zinc/29/88/94/446298894.db2.gz WFRBAGJVENKPPB-LBPRGKRZSA-N -1 2 332.404 1.555 20 0 EDADLM COC(=O)c1[nH]cnc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568344453 448856572 /nfs/dbraw/zinc/85/65/72/448856572.db2.gz AZILUDNGRZFZBH-CYBMUJFWSA-N -1 2 344.371 1.036 20 0 EDADLM COC(=O)c1[nH]cnc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568344453 448856576 /nfs/dbraw/zinc/85/65/76/448856576.db2.gz AZILUDNGRZFZBH-CYBMUJFWSA-N -1 2 344.371 1.036 20 0 EDADLM CC(=O)c1ccc(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000655408294 453510216 /nfs/dbraw/zinc/51/02/16/453510216.db2.gz SSPFLBRJULZRCM-UPJWGTAASA-N -1 2 334.416 1.822 20 0 EDADLM C[C@H](Nc1nc[nH+]c(N[C@@H](C)C(=O)[O-])c1Br)C(=O)[O-] ZINC000662878692 453584518 /nfs/dbraw/zinc/58/45/18/453584518.db2.gz YSEAPYYGLZRIBT-WHFBIAKZSA-N -1 2 333.142 1.009 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1C(F)F ZINC000677551149 487117632 /nfs/dbraw/zinc/11/76/32/487117632.db2.gz WBJSPQSKPXXTPX-UHFFFAOYSA-N -1 2 331.300 1.857 20 0 EDADLM O=C([O-])Nc1ccccc1NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000740715621 579380399 /nfs/dbraw/zinc/38/03/99/579380399.db2.gz LLGGZZNGRIEHTL-UHFFFAOYSA-N -1 2 341.283 1.778 20 0 EDADLM CO[C@@H]1CCC[N@H+](CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736962008 579035751 /nfs/dbraw/zinc/03/57/51/579035751.db2.gz NMRBRVRGFOQHLO-LLVKDONJSA-N -1 2 334.380 1.126 20 0 EDADLM CO[C@@H]1CCC[N@@H+](CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)C1 ZINC000736962008 579035752 /nfs/dbraw/zinc/03/57/52/579035752.db2.gz NMRBRVRGFOQHLO-LLVKDONJSA-N -1 2 334.380 1.126 20 0 EDADLM Cc1n[nH]cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000738249479 579177570 /nfs/dbraw/zinc/17/75/70/579177570.db2.gz SQQZIINCBOFYKG-UHFFFAOYSA-N -1 2 347.299 1.819 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CC[C@@H](CNC(=O)[O-])C3)c[n-]c2[nH+]1 ZINC000740152877 579294365 /nfs/dbraw/zinc/29/43/65/579294365.db2.gz GMLZNWMNCPAQBQ-JTQLQIEISA-N -1 2 330.344 1.374 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CC[C@@H](CNC(=O)[O-])C3)c[nH]c2n1 ZINC000740152877 579294367 /nfs/dbraw/zinc/29/43/67/579294367.db2.gz GMLZNWMNCPAQBQ-JTQLQIEISA-N -1 2 330.344 1.374 20 0 EDADLM Cn1ccc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)n1 ZINC000767735523 580198228 /nfs/dbraw/zinc/19/82/28/580198228.db2.gz IJRPMVFQNALWFC-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM COc1cc(C[S@](=O)Cc2cnn[nH]2)c(Br)cn1 ZINC000905206997 592465094 /nfs/dbraw/zinc/46/50/94/592465094.db2.gz QOMWCNIWYQBJFD-SFHVURJKSA-N -1 2 331.195 1.420 20 0 EDADLM C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824771109 594071937 /nfs/dbraw/zinc/07/19/37/594071937.db2.gz OUJWMMJNFRLBSK-JTQLQIEISA-N -1 2 343.416 1.955 20 0 EDADLM C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000824771109 594071939 /nfs/dbraw/zinc/07/19/39/594071939.db2.gz OUJWMMJNFRLBSK-JTQLQIEISA-N -1 2 343.416 1.955 20 0 EDADLM CCOc1cccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)n1 ZINC000830104785 594337772 /nfs/dbraw/zinc/33/77/72/594337772.db2.gz SGXNAAWIDKLPOE-UHFFFAOYSA-N -1 2 336.369 1.908 20 0 EDADLM C[C@H]1CC[C@H](CCC(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])O1 ZINC000828221181 594368047 /nfs/dbraw/zinc/36/80/47/594368047.db2.gz JBIQITXBMUBIEM-DTWKUNHWSA-N -1 2 347.414 1.599 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2cc(NC(=O)[O-])ccc2F)S1 ZINC000831239921 594589236 /nfs/dbraw/zinc/58/92/36/594589236.db2.gz JVQSDJZJUOLQGF-QMMMGPOBSA-N -1 2 326.309 1.411 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)Nc2cc(NC(=O)[O-])ccc2F)S1 ZINC000831239921 594589238 /nfs/dbraw/zinc/58/92/38/594589238.db2.gz JVQSDJZJUOLQGF-QMMMGPOBSA-N -1 2 326.309 1.411 20 0 EDADLM COC(=O)c1ccnc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000831457822 594634039 /nfs/dbraw/zinc/63/40/39/594634039.db2.gz ZEMQPMYKXCKRRS-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM O=C([O-])N[C@H]1CCCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000832365147 594745170 /nfs/dbraw/zinc/74/51/70/594745170.db2.gz GSFATNWJPYLVSZ-NSHDSACASA-N -1 2 348.334 1.589 20 0 EDADLM O=C([O-])NCCNC(=O)c1cc(Cl)cc(Br)c1O ZINC000832658243 594767265 /nfs/dbraw/zinc/76/72/65/594767265.db2.gz LCEDXXPEKSKWHA-UHFFFAOYSA-N -1 2 337.557 1.806 20 0 EDADLM O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000833186261 594803274 /nfs/dbraw/zinc/80/32/74/594803274.db2.gz KYUJPYGPPDSHAM-GHMZBOCLSA-N -1 2 331.328 1.859 20 0 EDADLM O=C([O-])COc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1Cl ZINC000833259180 594815194 /nfs/dbraw/zinc/81/51/94/594815194.db2.gz LRSSZIRENJORKS-UHFFFAOYSA-N -1 2 331.737 1.327 20 0 EDADLM CNC(=O)c1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000833700545 594910170 /nfs/dbraw/zinc/91/01/70/594910170.db2.gz MDDDCQWJIOCFHO-UHFFFAOYSA-N -1 2 340.382 1.607 20 0 EDADLM O=C([O-])NCc1ccc(C(=O)NN2CCc3ccccc3C2=O)o1 ZINC000834248621 595068960 /nfs/dbraw/zinc/06/89/60/595068960.db2.gz GTKSBIGQQFAOQH-UHFFFAOYSA-N -1 2 329.312 1.391 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000864439596 596238486 /nfs/dbraw/zinc/23/84/86/596238486.db2.gz BQXQXYDQKFZCOQ-YFKPBYRVSA-N -1 2 332.325 1.254 20 0 EDADLM CCOc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1F ZINC000391470753 600674137 /nfs/dbraw/zinc/67/41/37/600674137.db2.gz QWEFGIYLVQUUDW-UHFFFAOYSA-N -1 2 343.336 1.306 20 0 EDADLM Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)c3c(C)nc[nH]c3=O)CC2)o1 ZINC001003475074 710369089 /nfs/dbraw/zinc/36/90/89/710369089.db2.gz LLAZDYKUDCIKJA-LBPRGKRZSA-N -1 2 345.403 1.742 20 0 EDADLM COc1cc(OC)c(NS(=O)(=O)c2ccoc2)c(C(=O)[O-])c1 ZINC000560417272 306268023 /nfs/dbraw/zinc/26/80/23/306268023.db2.gz LYNQHEOSBPHPGM-UHFFFAOYSA-N -1 2 327.314 1.796 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)cn1 ZINC000284952213 540079676 /nfs/dbraw/zinc/07/96/76/540079676.db2.gz CSHSBKYLZUHFOK-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccnc2OCC(F)F)c[nH]1 ZINC000345876105 143142214 /nfs/dbraw/zinc/14/22/14/143142214.db2.gz RGZGRYJVBPRASS-UHFFFAOYSA-N -1 2 347.299 1.553 20 0 EDADLM CCO[C@H]1C[C@@](NS(=O)(=O)CC(F)(F)F)(C(=O)[O-])C1(C)C ZINC000573157128 306613492 /nfs/dbraw/zinc/61/34/92/306613492.db2.gz BRTREBATIYXFPF-OIBJUYFYSA-N -1 2 333.328 1.127 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)cs1 ZINC000357336559 151000326 /nfs/dbraw/zinc/00/03/26/151000326.db2.gz FORRFXACZNVIOU-UHFFFAOYSA-N -1 2 339.354 1.829 20 0 EDADLM COCCC[N@H+](CCO)Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000284886563 274373116 /nfs/dbraw/zinc/37/31/16/274373116.db2.gz FRFUYDILGSJAAX-UHFFFAOYSA-N -1 2 341.791 1.983 20 0 EDADLM Cc1nn(C)cc1S(=O)(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000287436201 288238348 /nfs/dbraw/zinc/23/83/48/288238348.db2.gz HCUUQNRHXFJONU-UHFFFAOYSA-N -1 2 339.373 1.383 20 0 EDADLM COCc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1 ZINC000540290610 306039313 /nfs/dbraw/zinc/03/93/13/306039313.db2.gz GPVHYNVMCDWJSL-UHFFFAOYSA-N -1 2 325.346 1.066 20 0 EDADLM C[C@H](C(=O)N1CCC[C@H](c2nn[nH]n2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000129500215 442319356 /nfs/dbraw/zinc/31/93/56/442319356.db2.gz XSDQGBDUNOSXBO-CJNGLKHVSA-N -1 2 340.431 1.353 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000192703196 442678488 /nfs/dbraw/zinc/67/84/88/442678488.db2.gz IEGAOZIOWUZUAZ-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM CCc1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000447000777 320138870 /nfs/dbraw/zinc/13/88/70/320138870.db2.gz NBOWOIAAIIFGAW-UHFFFAOYSA-N -1 2 325.321 1.677 20 0 EDADLM Cc1ccccc1-n1nccc1C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000330029016 444817390 /nfs/dbraw/zinc/81/73/90/444817390.db2.gz PKFFPRYUFUEFNL-OAHLLOKOSA-N -1 2 325.372 1.757 20 0 EDADLM COC(=O)c1cccc2nc(NC(=O)C[N@H+](C)[C@@H]3CCSC3)[nH]c21 ZINC000344451404 444981789 /nfs/dbraw/zinc/98/17/89/444981789.db2.gz JJSVJTWNDLJGGM-SNVBAGLBSA-N -1 2 348.428 1.725 20 0 EDADLM Cc1c(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cnn1C ZINC000362432232 445379035 /nfs/dbraw/zinc/37/90/35/445379035.db2.gz YKZRQLNDXAWFCE-UHFFFAOYSA-N -1 2 343.336 1.132 20 0 EDADLM CCOc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc(Br)c1O ZINC000459489711 447686520 /nfs/dbraw/zinc/68/65/20/447686520.db2.gz UNJXJAPPHVZVEO-MNOVXSKESA-N -1 2 346.221 1.481 20 0 EDADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000590696110 449249827 /nfs/dbraw/zinc/24/98/27/449249827.db2.gz ORBLJFKNWHGRLD-UHFFFAOYSA-N -1 2 349.368 1.867 20 0 EDADLM C[C@@H](C(=O)N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000635804714 451254758 /nfs/dbraw/zinc/25/47/58/451254758.db2.gz VCHKUXFQRFIFRI-WRWORJQWSA-N -1 2 326.763 1.148 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000642215708 451839129 /nfs/dbraw/zinc/83/91/29/451839129.db2.gz QZGXASYXCQACMX-UHFFFAOYSA-N -1 2 344.352 1.762 20 0 EDADLM CCC[C@H](NC(=O)c1cccc(Br)c1[O-])c1nn[nH]n1 ZINC000678315654 487288091 /nfs/dbraw/zinc/28/80/91/487288091.db2.gz JOXXBCKBQBPQGM-VIFPVBQESA-N -1 2 340.181 1.939 20 0 EDADLM Cc1ncsc1[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-] ZINC000530338991 487344476 /nfs/dbraw/zinc/34/44/76/487344476.db2.gz DHEIAKFVDRCVPU-RITPCOANSA-N -1 2 332.325 1.447 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@H](C(=O)[O-])C2)=N1 ZINC000178274084 533856540 /nfs/dbraw/zinc/85/65/40/533856540.db2.gz AIMFEQWBPUINNO-JTQLQIEISA-N -1 2 333.319 1.572 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccnn1C ZINC000339409502 536540554 /nfs/dbraw/zinc/54/05/54/536540554.db2.gz KGDZDGPLBCDLGA-UHFFFAOYSA-N -1 2 329.309 1.067 20 0 EDADLM O=C([O-])NC[C@H]1CCCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000740626830 579370951 /nfs/dbraw/zinc/37/09/51/579370951.db2.gz XUMJLQQYVGADBU-SNVBAGLBSA-N -1 2 346.343 1.150 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Nc2ccccn2)c(C(=O)[O-])s1 ZINC000737681644 578317231 /nfs/dbraw/zinc/31/72/31/578317231.db2.gz TYVGMQCRLRBLRF-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3C[C@@H](C)N(C(=O)[O-])[C@@H](C)C3)c[nH]c2n1 ZINC000740157544 579295110 /nfs/dbraw/zinc/29/51/10/579295110.db2.gz ZFSIEQBTMQUOCO-PHIMTYICSA-N -1 2 344.371 1.857 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000776504978 580418777 /nfs/dbraw/zinc/41/87/77/580418777.db2.gz IGVQKSLQNQYXAV-MLUIRONXSA-N -1 2 347.261 1.961 20 0 EDADLM C[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC[C@H]1C(=O)[O-] ZINC000902176136 591932388 /nfs/dbraw/zinc/93/23/88/591932388.db2.gz NFDNMMLSWIRPCR-ZWNOBZJWSA-N -1 2 347.346 1.900 20 0 EDADLM O=C([O-])C1(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)CCC1 ZINC000905037639 592374748 /nfs/dbraw/zinc/37/47/48/592374748.db2.gz OKIXWFLBYLIMEE-IUCAKERBSA-N -1 2 345.339 1.413 20 0 EDADLM CO[C@H]1CC[N@H+](Cc2nc(C(=O)Nc3nnc4n3CCCC4)co2)C1 ZINC000907263737 592576037 /nfs/dbraw/zinc/57/60/37/592576037.db2.gz UVJNEIMVONPAKC-NSHDSACASA-N -1 2 346.391 1.075 20 0 EDADLM O=C([O-])C[C@@]1(NC(=O)c2cc(F)c(O)c(Cl)c2)CCCOC1 ZINC000909691427 592816662 /nfs/dbraw/zinc/81/66/62/592816662.db2.gz HNNCEMSEXNVFFQ-AWEZNQCLSA-N -1 2 331.727 1.938 20 0 EDADLM CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000819928405 593777759 /nfs/dbraw/zinc/77/77/59/593777759.db2.gz OCNVZVOEXWXXOG-AWEZNQCLSA-N -1 2 345.403 1.409 20 0 EDADLM CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC000819928405 593777760 /nfs/dbraw/zinc/77/77/60/593777760.db2.gz OCNVZVOEXWXXOG-AWEZNQCLSA-N -1 2 345.403 1.409 20 0 EDADLM CCOC(=O)[C@H](C)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000821314259 594013045 /nfs/dbraw/zinc/01/30/45/594013045.db2.gz JNZNNGZPTGNRQL-NSHDSACASA-N -1 2 328.376 1.503 20 0 EDADLM C[N@H+](CCc1nccs1)CC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825950763 594289159 /nfs/dbraw/zinc/28/91/59/594289159.db2.gz UJASWRGSKOOMSK-UHFFFAOYSA-N -1 2 349.445 1.498 20 0 EDADLM CN(Cc1ccccc1NC(=O)CC1SC(=N)NC1=O)C(=O)[O-] ZINC000828394387 594409050 /nfs/dbraw/zinc/40/90/50/594409050.db2.gz VYINBYJEIYQPHM-SNVBAGLBSA-N -1 2 336.373 1.291 20 0 EDADLM CN(Cc1ccccc1NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-] ZINC000828394387 594409052 /nfs/dbraw/zinc/40/90/52/594409052.db2.gz VYINBYJEIYQPHM-SNVBAGLBSA-N -1 2 336.373 1.291 20 0 EDADLM Cc1nc(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)sc1C(=O)[O-] ZINC000833002303 594790349 /nfs/dbraw/zinc/79/03/49/594790349.db2.gz UIBRACVAYABJJJ-UHFFFAOYSA-N -1 2 347.312 1.151 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2nc3c(s2)COCC3)cc1C(=O)[O-] ZINC000833055725 594794768 /nfs/dbraw/zinc/79/47/68/594794768.db2.gz MUJMQGKYUDSLCR-UHFFFAOYSA-N -1 2 343.386 1.053 20 0 EDADLM N=C1NC(=O)[C@@H](CC(=O)N(CCCC(=O)[O-])Cc2ccccc2)S1 ZINC000833089551 594797005 /nfs/dbraw/zinc/79/70/05/594797005.db2.gz RHWMXEDLHJJTTH-GFCCVEGCSA-N -1 2 349.412 1.436 20 0 EDADLM O=C([N-]OCCN1CCCC1=O)C1=NN(c2ccccc2F)CC1=O ZINC000856040409 595882581 /nfs/dbraw/zinc/88/25/81/595882581.db2.gz FWFUVJGELHNEQI-UHFFFAOYSA-N -1 2 348.334 1.001 20 0 EDADLM CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)[nH]1 ZINC000852060358 596027195 /nfs/dbraw/zinc/02/71/95/596027195.db2.gz DFHCUTZTCCABCF-VHSXEESVSA-N -1 2 333.358 1.819 20 0 EDADLM CCc1nnc([C@H](C)[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)[nH]1 ZINC000852060358 596027200 /nfs/dbraw/zinc/02/72/00/596027200.db2.gz DFHCUTZTCCABCF-VHSXEESVSA-N -1 2 333.358 1.819 20 0 EDADLM Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(NC(=O)N3CCOCC3)CC2)n1 ZINC000852189350 596078548 /nfs/dbraw/zinc/07/85/48/596078548.db2.gz DUYKVEIUBGKONR-ZDUSSCGKSA-N -1 2 349.435 1.058 20 0 EDADLM Cn1cc(S(=O)(=O)NC(=O)C2(C(=O)[O-])CC=CC2)c2ccccc21 ZINC000863956999 596729629 /nfs/dbraw/zinc/72/96/29/596729629.db2.gz JBUANQOBDDPPBR-UHFFFAOYSA-N -1 2 348.380 1.404 20 0 EDADLM CN(C(=O)NCc1ccc(O)c(Cl)c1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000876397236 597192880 /nfs/dbraw/zinc/19/28/80/597192880.db2.gz ZANBCLZZIILWLE-HIFRSBDPSA-N -1 2 339.823 1.660 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1C ZINC000020432240 600050663 /nfs/dbraw/zinc/05/06/63/600050663.db2.gz FFJHUSGPAJWBOV-UHFFFAOYSA-N -1 2 326.399 2.188 20 0 EDADLM CSc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000035651711 600672989 /nfs/dbraw/zinc/67/29/89/600672989.db2.gz MJKDKWYSFRULPE-UHFFFAOYSA-N -1 2 327.387 1.490 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cccnc2-n2cccn2)cc1C(=O)[O-] ZINC000324827503 600827194 /nfs/dbraw/zinc/82/71/94/600827194.db2.gz BJSICUMDGIZIJG-UHFFFAOYSA-N -1 2 347.356 1.105 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)s1 ZINC000318170745 601501759 /nfs/dbraw/zinc/50/17/59/601501759.db2.gz ANOIQFXQPGNCNR-UHFFFAOYSA-N -1 2 343.386 1.608 20 0 EDADLM Cc1nc[nH]c(=O)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccon2)[C@H]1C ZINC000993720708 696323271 /nfs/dbraw/zinc/32/32/71/696323271.db2.gz RTSKHOXUEHVZIW-AAEUAGOBSA-N -1 2 331.376 1.262 20 0 EDADLM Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000070825646 701221089 /nfs/dbraw/zinc/22/10/89/701221089.db2.gz OYVKPQDBBOCWRE-UHFFFAOYSA-N -1 2 343.342 1.738 20 0 EDADLM Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)c3ncccc3O)[C@H](C)C2)cn1 ZINC000941994361 702328216 /nfs/dbraw/zinc/32/82/16/702328216.db2.gz WSZQLLRLQDZZNE-IUODEOHRSA-N -1 2 341.415 1.526 20 0 EDADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000357465503 151039726 /nfs/dbraw/zinc/03/97/26/151039726.db2.gz CALBUDNLWRCOTM-UHFFFAOYSA-N -1 2 349.290 1.786 20 0 EDADLM COCCOc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000357553615 151065951 /nfs/dbraw/zinc/06/59/51/151065951.db2.gz ZSFXCYGCFBUWRS-UHFFFAOYSA-N -1 2 340.357 1.539 20 0 EDADLM CC(C)c1ncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000358490554 151393166 /nfs/dbraw/zinc/39/31/66/151393166.db2.gz BJHUXBZPRUZLEE-UHFFFAOYSA-N -1 2 337.357 1.805 20 0 EDADLM COc1nn(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000352317254 162113332 /nfs/dbraw/zinc/11/33/32/162113332.db2.gz FIMALTXRIDDSCQ-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM COc1ccc(C(=O)NC(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292089770 289258725 /nfs/dbraw/zinc/25/87/25/289258725.db2.gz GPDLZIWACSOTJM-MRXNPFEDSA-N -1 2 346.427 1.700 20 0 EDADLM CCc1ncc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)s1 ZINC000436577399 305161241 /nfs/dbraw/zinc/16/12/41/305161241.db2.gz RRNZLUOCFSSRRE-UHFFFAOYSA-N -1 2 328.371 1.910 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c(F)c1 ZINC000189511265 442970521 /nfs/dbraw/zinc/97/05/21/442970521.db2.gz VITOKRBARBITDE-UHFFFAOYSA-N -1 2 349.347 1.204 20 0 EDADLM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000321105770 444334114 /nfs/dbraw/zinc/33/41/14/444334114.db2.gz NIKFHEIJTIXUEL-UHFFFAOYSA-N -1 2 339.325 1.874 20 0 EDADLM CCc1oncc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000337879298 444446818 /nfs/dbraw/zinc/44/68/18/444446818.db2.gz WYIUYJCBWAWHNY-UHFFFAOYSA-N -1 2 340.357 1.810 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cncc(Cl)c2)c(O)c1 ZINC000350277421 445804812 /nfs/dbraw/zinc/80/48/12/445804812.db2.gz FYHRQLWLUIXBFH-UHFFFAOYSA-N -1 2 328.733 1.940 20 0 EDADLM Cc1ccc(O)c(C(=O)N2CC[N@@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)c1 ZINC000368398092 446837881 /nfs/dbraw/zinc/83/78/81/446837881.db2.gz QPEUTZMOLTUZDJ-JKSUJKDBSA-N -1 2 347.459 1.178 20 0 EDADLM CC(=O)c1ccsc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000427318685 447580959 /nfs/dbraw/zinc/58/09/59/447580959.db2.gz DZSCKCCVXALFJF-UHFFFAOYSA-N -1 2 328.371 1.788 20 0 EDADLM C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C1CC1 ZINC000459342991 447640046 /nfs/dbraw/zinc/64/00/46/447640046.db2.gz LASQPRHHNOPDCL-SNVBAGLBSA-N -1 2 325.434 1.457 20 0 EDADLM NC(=O)NC(=O)OCCC[N@H+](Cc1ccccc1Cl)C1COC1 ZINC000496227553 447745584 /nfs/dbraw/zinc/74/55/84/447745584.db2.gz NJNOOVFPQZRYPD-UHFFFAOYSA-N -1 2 341.795 1.736 20 0 EDADLM COCCc1nsc(NCCc2ccc(OCC(=O)[O-])cc2)n1 ZINC000566297395 448439846 /nfs/dbraw/zinc/43/98/46/448439846.db2.gz PLIDJXPZPNTUEZ-UHFFFAOYSA-N -1 2 337.401 1.267 20 0 EDADLM COc1ccc2c(c1)[nH]cc(C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1)c2=O ZINC000574156580 448804224 /nfs/dbraw/zinc/80/42/24/448804224.db2.gz CYHBZFSALRLRSW-QWRGUYRKSA-N -1 2 344.367 1.720 20 0 EDADLM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(C)c1 ZINC000618761876 450297005 /nfs/dbraw/zinc/29/70/05/450297005.db2.gz QNAGBNBKHCVBJR-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(CC(=O)[O-])CC2CC2)=N1 ZINC000653324788 451844675 /nfs/dbraw/zinc/84/46/75/451844675.db2.gz DRUZKSAWCZZOFV-UHFFFAOYSA-N -1 2 347.346 1.962 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)=N2)cc1 ZINC000646923589 451940767 /nfs/dbraw/zinc/94/07/67/451940767.db2.gz YFEMLMSVSIYGMG-IUODEOHRSA-N -1 2 342.399 1.363 20 0 EDADLM C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000736811642 579023092 /nfs/dbraw/zinc/02/30/92/579023092.db2.gz RUOWTMVAJHOMSK-YJBOKZPZSA-N -1 2 347.459 1.222 20 0 EDADLM COCCN(CC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC000739826665 579255882 /nfs/dbraw/zinc/25/58/82/579255882.db2.gz QWSZDEHFRTXRBP-UHFFFAOYSA-N -1 2 333.348 1.345 20 0 EDADLM O=C(c1ccccc1O)N1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799309330 581024971 /nfs/dbraw/zinc/02/49/71/581024971.db2.gz OJJYOHIRBZMVPP-QGZVFWFLSA-N -1 2 345.374 1.418 20 0 EDADLM Cc1ccc2c([n-]cc(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCN3C)c2=O)[nH+]1 ZINC000896568947 591523545 /nfs/dbraw/zinc/52/35/45/591523545.db2.gz CYXPHHRUPHZWOA-IUODEOHRSA-N -1 2 343.431 1.008 20 0 EDADLM Cc1ccc2c([n-]cc(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCN3C)c2=O)[nH+]1 ZINC000896568947 591523548 /nfs/dbraw/zinc/52/35/48/591523548.db2.gz CYXPHHRUPHZWOA-IUODEOHRSA-N -1 2 343.431 1.008 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000809551017 593344841 /nfs/dbraw/zinc/34/48/41/593344841.db2.gz NBRVKYCBAMJYEM-MUWHJKNJSA-N -1 2 327.280 1.388 20 0 EDADLM CC(C)n1ncnc1C[N@@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810072430 593379916 /nfs/dbraw/zinc/37/99/16/593379916.db2.gz SVIQQDOZVQBMDB-LLVKDONJSA-N -1 2 333.358 1.750 20 0 EDADLM CC(C)(C)c1nnc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)[nH]1 ZINC000814637839 593598996 /nfs/dbraw/zinc/59/89/96/593598996.db2.gz FMHCEDIYBYXRGT-SNVBAGLBSA-N -1 2 347.385 1.993 20 0 EDADLM CC(=O)Nc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000825912966 594276970 /nfs/dbraw/zinc/27/69/70/594276970.db2.gz HUTLUOCCCWSPFP-UHFFFAOYSA-N -1 2 341.370 1.601 20 0 EDADLM O=C(CCn1cc[nH+]c1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826409558 594464087 /nfs/dbraw/zinc/46/40/87/594464087.db2.gz FQHPHMLCQNKNEQ-UHFFFAOYSA-N -1 2 349.398 1.769 20 0 EDADLM CCCCC[C@@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000829339041 594599639 /nfs/dbraw/zinc/59/96/39/594599639.db2.gz AUWKSHWYTFWKMO-SNVBAGLBSA-N -1 2 334.332 1.199 20 0 EDADLM O=C(C[C@H]1CCCN1C(=O)[O-])Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000831339899 594611086 /nfs/dbraw/zinc/61/10/86/594611086.db2.gz MUPNTHJKUPCWQI-LLVKDONJSA-N -1 2 332.316 1.501 20 0 EDADLM CCCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)o2)s1 ZINC000829574369 594643349 /nfs/dbraw/zinc/64/33/49/594643349.db2.gz XUUBDXTWLRTQJC-UHFFFAOYSA-N -1 2 331.375 1.891 20 0 EDADLM C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000827214127 594653318 /nfs/dbraw/zinc/65/33/18/594653318.db2.gz ZXGKXLHJHYBAMR-SECBINFHSA-N -1 2 338.389 1.692 20 0 EDADLM COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000832438893 594750708 /nfs/dbraw/zinc/75/07/08/594750708.db2.gz BRRHSQOBROVIQD-UHFFFAOYSA-N -1 2 340.357 1.541 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1C ZINC000832468556 594752557 /nfs/dbraw/zinc/75/25/57/594752557.db2.gz LCAAONKLRMOGKX-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)NC(=O)[C@H]1CC12CCCC2 ZINC000833348216 594831998 /nfs/dbraw/zinc/83/19/98/594831998.db2.gz PMNCCJJMGUNBLC-MRVPVSSYSA-N -1 2 329.399 1.832 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cn1 ZINC000319711912 600673502 /nfs/dbraw/zinc/67/35/02/600673502.db2.gz ZEYPYZZIAAZSQO-UHFFFAOYSA-N -1 2 349.290 1.787 20 0 EDADLM Cc1cc(C(=O)Nc2ccc(Cl)nc2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000154825982 697213847 /nfs/dbraw/zinc/21/38/47/697213847.db2.gz WTXYMJOGQAIOHG-UHFFFAOYSA-N -1 2 331.719 1.633 20 0 EDADLM O=C(NCC1C[NH+](CCOc2cccc(F)c2)C1)c1ncccc1O ZINC001031628744 697366931 /nfs/dbraw/zinc/36/69/31/697366931.db2.gz WDBPHZFOMMTXHE-UHFFFAOYSA-N -1 2 345.374 1.667 20 0 EDADLM Cc1nc(=N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)s[nH]1 ZINC000416446666 304319468 /nfs/dbraw/zinc/31/94/68/304319468.db2.gz QEXKWCFWQKESPU-RYUDHWBXSA-N -1 2 332.385 1.107 20 0 EDADLM CO[C@H](C)c1nc(=NC(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)s[n-]1 ZINC000350667796 143548338 /nfs/dbraw/zinc/54/83/38/143548338.db2.gz QPMRJVXFGAOPFJ-NUPCCRGMSA-N -1 2 328.438 1.993 20 0 EDADLM O=C([O-])C1CCC(NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000572841896 306600689 /nfs/dbraw/zinc/60/06/89/306600689.db2.gz HTJRBZCYNDPISV-UHFFFAOYSA-N -1 2 331.328 1.403 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000291840016 289193944 /nfs/dbraw/zinc/19/39/44/289193944.db2.gz DSSUKTJYVAJOQV-UHFFFAOYSA-N -1 2 341.364 1.929 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1 ZINC000435718864 305146350 /nfs/dbraw/zinc/14/63/50/305146350.db2.gz GUOKKMDKWDUCPP-UHFFFAOYSA-N -1 2 335.263 1.928 20 0 EDADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)noc1C ZINC000063476215 441330976 /nfs/dbraw/zinc/33/09/76/441330976.db2.gz PVVCIPVPCSBBPS-UHFFFAOYSA-N -1 2 326.330 1.799 20 0 EDADLM CC(C)Oc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000298879674 318855155 /nfs/dbraw/zinc/85/51/55/318855155.db2.gz YBWVGHSJXCQSOZ-UHFFFAOYSA-N -1 2 339.373 1.706 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])cn1 ZINC000269655349 443381765 /nfs/dbraw/zinc/38/17/65/443381765.db2.gz UZYQEFRNQSKZIE-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000285205604 443894623 /nfs/dbraw/zinc/89/46/23/443894623.db2.gz WUBPVKKSNLZYOH-SECBINFHSA-N -1 2 338.791 1.966 20 0 EDADLM CCOC(=O)c1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)[nH]n1 ZINC000541924069 320780027 /nfs/dbraw/zinc/78/00/27/320780027.db2.gz YGPSOURCMYUFOJ-UHFFFAOYSA-N -1 2 339.329 1.085 20 0 EDADLM COc1cc(NS(=O)(=O)c2c(Cl)cnn2C)ccc1C(=O)[O-] ZINC000320195430 444328490 /nfs/dbraw/zinc/32/84/90/444328490.db2.gz NIAZQWQUXTYFRF-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM CCc1cc(=O)[nH]c(C[N@@H+]2CCCN(c3cncc(F)c3)CC2)n1 ZINC000371204868 446688610 /nfs/dbraw/zinc/68/86/10/446688610.db2.gz KXVSYCXMJKGAAK-UHFFFAOYSA-N -1 2 331.395 1.991 20 0 EDADLM O=C(OC[C@@H]1CCCC[N@H+]1CC1N=NC(=O)S1)N1CCCC1 ZINC000368602047 446973237 /nfs/dbraw/zinc/97/32/37/446973237.db2.gz ISRPAMITHVXBOX-NSHDSACASA-N -1 2 326.422 1.831 20 0 EDADLM CC[C@H](CS(=O)(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC)OC ZINC000421160788 447046039 /nfs/dbraw/zinc/04/60/39/447046039.db2.gz VYTZPPTUSDJNBW-SNVBAGLBSA-N -1 2 347.389 1.569 20 0 EDADLM CCc1ncc(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)o1 ZINC000556323703 448114659 /nfs/dbraw/zinc/11/46/59/448114659.db2.gz VXUDJBZLFPDETN-UHFFFAOYSA-N -1 2 346.412 1.960 20 0 EDADLM C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000521054329 448951831 /nfs/dbraw/zinc/95/18/31/448951831.db2.gz VENZAAZPIYURJH-LBPRGKRZSA-N -1 2 330.388 1.634 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000548532989 449057207 /nfs/dbraw/zinc/05/72/07/449057207.db2.gz WRJMIJCKKNTVJX-RKDXNWHRSA-N -1 2 340.323 1.195 20 0 EDADLM C[C@H]1CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C[C@H]1C(=O)[O-] ZINC000663058231 453665211 /nfs/dbraw/zinc/66/52/11/453665211.db2.gz SSDACMOXJWBNDA-GXFFZTMASA-N -1 2 347.346 1.900 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C(F)F ZINC000677551807 487117728 /nfs/dbraw/zinc/11/77/28/487117728.db2.gz IEWDQMJMAJPJEL-UHFFFAOYSA-N -1 2 337.329 1.918 20 0 EDADLM C[C@H](NS(=O)(=O)c1cc(Cl)ccc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000671177478 485881072 /nfs/dbraw/zinc/88/10/72/485881072.db2.gz WZVCFBGMRJRMJL-CABZTGNLSA-N -1 2 336.816 1.477 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)C[C@H]1CCCCO1 ZINC000270029121 536540679 /nfs/dbraw/zinc/54/06/79/536540679.db2.gz DAMQUXUXNKLEPE-SECBINFHSA-N -1 2 347.364 1.843 20 0 EDADLM COCc1csc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000737836894 578636941 /nfs/dbraw/zinc/63/69/41/578636941.db2.gz YFZRKCCAZFNNLM-UHFFFAOYSA-N -1 2 334.400 1.850 20 0 EDADLM CC1(C)C[N@H+](CCNc2ccc(Cl)c(-c3nn[nH]n3)n2)CCO1 ZINC000736212574 578963957 /nfs/dbraw/zinc/96/39/57/578963957.db2.gz AKXUXIHDWNZJIT-UHFFFAOYSA-N -1 2 337.815 1.438 20 0 EDADLM CCC[C@@](C)([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)C(=O)OC ZINC000736418109 578987617 /nfs/dbraw/zinc/98/76/17/578987617.db2.gz ZUISTEHEGURDPX-MRXNPFEDSA-N -1 2 333.392 1.567 20 0 EDADLM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1 ZINC000776428388 580417050 /nfs/dbraw/zinc/41/70/50/580417050.db2.gz YNVLIEXQMRFRKM-UHFFFAOYSA-N -1 2 325.346 1.318 20 0 EDADLM O=C([O-])[C@@H](NC(=O)c1cc(F)c(O)c(Cl)c1)[C@@H]1CCCOC1 ZINC000909545588 591652781 /nfs/dbraw/zinc/65/27/81/591652781.db2.gz MGKOJORLTQCGTC-HQJQHLMTSA-N -1 2 331.727 1.794 20 0 EDADLM CCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)nn1C ZINC000817352818 593594167 /nfs/dbraw/zinc/59/41/67/593594167.db2.gz NKKZRPIQIQTZHY-UHFFFAOYSA-N -1 2 349.412 1.970 20 0 EDADLM O=C(C[NH+]1CCC(C(F)F)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000822993450 594133161 /nfs/dbraw/zinc/13/31/61/594133161.db2.gz TZGZPYQJADKHSO-UHFFFAOYSA-N -1 2 342.375 1.844 20 0 EDADLM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1 ZINC000825418837 594182237 /nfs/dbraw/zinc/18/22/37/594182237.db2.gz YBKFDYHKPKAUNH-OIBJUYFYSA-N -1 2 336.373 1.510 20 0 EDADLM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 ZINC000825418837 594182239 /nfs/dbraw/zinc/18/22/39/594182239.db2.gz YBKFDYHKPKAUNH-OIBJUYFYSA-N -1 2 336.373 1.510 20 0 EDADLM C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)CC2=O)CC[C@H]1NC(=O)[O-] ZINC000826042691 594314902 /nfs/dbraw/zinc/31/49/02/594314902.db2.gz RKPROOSKSLJOGX-DGCLKSJQSA-N -1 2 344.371 1.696 20 0 EDADLM COC(=O)c1cc(NS(=O)(=O)c2c[nH]nc2C)ccc1C(=O)[O-] ZINC000831326984 594608160 /nfs/dbraw/zinc/60/81/60/594608160.db2.gz FABSPSXMYIELOE-UHFFFAOYSA-N -1 2 339.329 1.004 20 0 EDADLM O=C([O-])N1CCC[C@@H]1CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000831648590 594689794 /nfs/dbraw/zinc/68/97/94/594689794.db2.gz YYXQNDFUWQCQPA-GFCCVEGCSA-N -1 2 348.334 1.589 20 0 EDADLM COc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nc1 ZINC000832419570 594749132 /nfs/dbraw/zinc/74/91/32/594749132.db2.gz NHDBXMOCHHBECL-UHFFFAOYSA-N -1 2 326.305 1.728 20 0 EDADLM C[S@@](=O)c1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000832736164 594772915 /nfs/dbraw/zinc/77/29/15/594772915.db2.gz QLHNHXUJKPTBMV-HXUWFJFHSA-N -1 2 346.411 1.380 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)ccc1O ZINC000833306313 594824040 /nfs/dbraw/zinc/82/40/40/594824040.db2.gz ORWDJIFDPJRXRW-UHFFFAOYSA-N -1 2 347.299 1.353 20 0 EDADLM O=C([O-])c1csc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000833343605 594830748 /nfs/dbraw/zinc/83/07/48/594830748.db2.gz JMJFNLNAGYMRNL-UHFFFAOYSA-N -1 2 339.350 1.918 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)NC(=O)[C@@H]1Cc2ccccc21 ZINC000833348030 594831466 /nfs/dbraw/zinc/83/14/66/594831466.db2.gz LIDIWHXBNTYWEJ-SNVBAGLBSA-N -1 2 337.378 1.591 20 0 EDADLM Cn1nccc1NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833759498 594923439 /nfs/dbraw/zinc/92/34/39/594923439.db2.gz LGZARCFBTLMULP-UHFFFAOYSA-N -1 2 332.341 1.467 20 0 EDADLM C[C@@H]1CN(C(=O)[O-])[C@@H](C)CN1C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000833838042 594945627 /nfs/dbraw/zinc/94/56/27/594945627.db2.gz VHLBJAVLOABWET-ZJUUUORDSA-N -1 2 346.343 1.243 20 0 EDADLM O=C([O-])N[C@@H](CNC(=O)C1=NN(c2ccccc2)CC1=O)C1CC1 ZINC000834147208 595028380 /nfs/dbraw/zinc/02/83/80/595028380.db2.gz OOMIQXFCTOAZHI-LBPRGKRZSA-N -1 2 330.344 1.354 20 0 EDADLM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000846715701 595306227 /nfs/dbraw/zinc/30/62/27/595306227.db2.gz WQTOYQZTWGCOPM-GFCCVEGCSA-N -1 2 349.412 1.640 20 0 EDADLM COc1nccc(C[N@@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)n1 ZINC000852756903 595528266 /nfs/dbraw/zinc/52/82/66/595528266.db2.gz YIPNQYZUGOGJPX-KOLCDFICSA-N -1 2 332.326 1.374 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)s1 ZINC000313736074 601500480 /nfs/dbraw/zinc/50/04/80/601500480.db2.gz AZUUBXUTRHBBFJ-UHFFFAOYSA-N -1 2 327.387 1.908 20 0 EDADLM C[C@@H]1[C@H](NC(=O)c2cnc[nH]c2=O)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000993473842 696154518 /nfs/dbraw/zinc/15/45/18/696154518.db2.gz WWGPPGPVIVCOTH-IAQYHMDHSA-N -1 2 345.378 1.499 20 0 EDADLM C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(N)cc2F)n1 ZINC000921079866 697511157 /nfs/dbraw/zinc/51/11/57/697511157.db2.gz DQGFVDQHABSZDU-UHFFFAOYSA-N -1 2 344.437 1.405 20 0 EDADLM Cc1cc(S(=O)(=O)NCc2nc(C[NH+](C)C)cs2)sn1 ZINC000921094047 697513450 /nfs/dbraw/zinc/51/34/50/697513450.db2.gz XBCOIDOCVLNVBX-UHFFFAOYSA-N -1 2 332.476 1.448 20 0 EDADLM CC(C)=CC(=O)N1C[C@@H](C[NH2+]Cc2n[nH]c(=O)[nH]2)[C@H](C(F)(F)F)C1 ZINC000996826341 703111272 /nfs/dbraw/zinc/11/12/72/703111272.db2.gz TYHGMWPCJJARLO-NXEZZACHSA-N -1 2 347.341 1.203 20 0 EDADLM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000263347987 139337249 /nfs/dbraw/zinc/33/72/49/139337249.db2.gz PAVROGANCAESID-RYUDHWBXSA-N -1 2 329.356 1.761 20 0 EDADLM CCn1nccc1S(=O)(=O)Nc1cc(OC)ccc1C(=O)[O-] ZINC000471926860 255017260 /nfs/dbraw/zinc/01/72/60/255017260.db2.gz IRGKHAJPLHGMIR-UHFFFAOYSA-N -1 2 325.346 1.411 20 0 EDADLM O=C([O-])CNC(=O)c1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000115661548 441768947 /nfs/dbraw/zinc/76/89/47/441768947.db2.gz PMIIHQKCMAFUPX-UHFFFAOYSA-N -1 2 339.311 1.025 20 0 EDADLM O=C(Nc1n[nH]c(C(F)(F)F)n1)c1nn(-c2ccccc2)cc1[O-] ZINC000175225913 442022060 /nfs/dbraw/zinc/02/20/60/442022060.db2.gz OVCFCEPOCDBMOK-UHFFFAOYSA-N -1 2 338.249 1.967 20 0 EDADLM C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(F)cc(Cl)c1O ZINC000154712495 442353115 /nfs/dbraw/zinc/35/31/15/442353115.db2.gz TWSBYOGNRUSGPY-UHFFFAOYSA-N -1 2 331.819 1.750 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1 ZINC000186903622 442627844 /nfs/dbraw/zinc/62/78/44/442627844.db2.gz UKNGDMQZMMYBSI-UHFFFAOYSA-N -1 2 349.290 1.944 20 0 EDADLM CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C ZINC000266066401 443005998 /nfs/dbraw/zinc/00/59/98/443005998.db2.gz WRKHSMGPTVTIAU-UHFFFAOYSA-N -1 2 326.378 1.357 20 0 EDADLM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)C1=NN(c3ccccc3)CC1=O)C2 ZINC000282032716 444067709 /nfs/dbraw/zinc/06/77/09/444067709.db2.gz XJJLCLIVWOJYQC-SGTLLEGYSA-N -1 2 341.367 1.905 20 0 EDADLM Cc1oncc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000350302790 445808338 /nfs/dbraw/zinc/80/83/38/445808338.db2.gz UVMPLOYDZLSQIN-UHFFFAOYSA-N -1 2 346.748 1.901 20 0 EDADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cnn(C(F)F)c2)cc1 ZINC000361781203 445939200 /nfs/dbraw/zinc/93/92/00/445939200.db2.gz LLQFEFULJJDRFY-UHFFFAOYSA-N -1 2 331.300 1.706 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)cc1F ZINC000489577544 447864221 /nfs/dbraw/zinc/86/42/21/447864221.db2.gz MFRDOUJSDULMQO-UHFFFAOYSA-N -1 2 336.304 1.596 20 0 EDADLM Cc1cc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000532868987 448325134 /nfs/dbraw/zinc/32/51/34/448325134.db2.gz UDJBHXKPALFCDZ-SECBINFHSA-N -1 2 346.343 1.071 20 0 EDADLM O=C(C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1)Nc1nn[nH]n1 ZINC000578118708 448464757 /nfs/dbraw/zinc/46/47/57/448464757.db2.gz ZMHVMOWUNRTFSE-KRWDZBQOSA-N -1 2 326.404 1.508 20 0 EDADLM O=C(C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1)Nc1nn[nH]n1 ZINC000578118708 448464761 /nfs/dbraw/zinc/46/47/61/448464761.db2.gz ZMHVMOWUNRTFSE-KRWDZBQOSA-N -1 2 326.404 1.508 20 0 EDADLM C[C@H]1CCN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)C[C@H]1C(=O)[O-] ZINC000578988089 448686441 /nfs/dbraw/zinc/68/64/41/448686441.db2.gz IRZZOMNBTDCHEH-DTWKUNHWSA-N -1 2 326.422 1.832 20 0 EDADLM Cn1ncc(C(F)(F)F)c1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000631637921 450688352 /nfs/dbraw/zinc/68/83/52/450688352.db2.gz HAUBMGZAUXVYDE-UHFFFAOYSA-N -1 2 337.327 1.004 20 0 EDADLM C[C@@H](NC(=O)N=c1nc2n([nH]1)CCCC2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653546430 452007440 /nfs/dbraw/zinc/00/74/40/452007440.db2.gz DZNAXRXVCXCPNK-OUAUKWLOSA-N -1 2 335.408 1.293 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000788454593 580721633 /nfs/dbraw/zinc/72/16/33/580721633.db2.gz MGBZUFBSOAFNAR-PSASIEDQSA-N -1 2 325.308 1.725 20 0 EDADLM CCCNC(=O)CNc1c(-c2nn[nH]n2)c[nH+]c2c(C)cccc12 ZINC000821114415 593969239 /nfs/dbraw/zinc/96/92/39/593969239.db2.gz RAXXIMIZOBAGRD-UHFFFAOYSA-N -1 2 325.376 1.083 20 0 EDADLM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000824824810 594080519 /nfs/dbraw/zinc/08/05/19/594080519.db2.gz OFMLJDDXWVVMPT-QMMMGPOBSA-N -1 2 338.389 1.601 20 0 EDADLM COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000829187360 594579033 /nfs/dbraw/zinc/57/90/33/594579033.db2.gz GQOTZJKQHFQROB-UHFFFAOYSA-N -1 2 341.711 1.192 20 0 EDADLM COCCc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n(C)n1 ZINC000831795922 594703599 /nfs/dbraw/zinc/70/35/99/594703599.db2.gz SIWSOMDEKDJKCI-UHFFFAOYSA-N -1 2 339.373 1.108 20 0 EDADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1nnc(C)s1 ZINC000831949828 594713990 /nfs/dbraw/zinc/71/39/90/594713990.db2.gz HZQGPBKJCXSKHU-UHFFFAOYSA-N -1 2 335.388 1.416 20 0 EDADLM COc1cc(C)ccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000831972746 594715788 /nfs/dbraw/zinc/71/57/88/594715788.db2.gz PXCKMAGOLRWMTI-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000832480943 594753368 /nfs/dbraw/zinc/75/33/68/594753368.db2.gz CEDOWYKIDYOSOF-NWDGAFQWSA-N -1 2 346.343 1.196 20 0 EDADLM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])s2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000832865259 594781971 /nfs/dbraw/zinc/78/19/71/594781971.db2.gz XPKKGMGRFILSDG-UHFFFAOYSA-N -1 2 346.324 1.756 20 0 EDADLM Cc1nn(C)c(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1C ZINC000833013612 594791388 /nfs/dbraw/zinc/79/13/88/594791388.db2.gz CFSDMEMNCXECPS-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM O=C([O-])Cn1cc(NS(=O)(=O)c2cnc3ccsc3c2)cn1 ZINC000833275481 594818611 /nfs/dbraw/zinc/81/86/11/594818611.db2.gz ZPQNRPNCAVVSRC-UHFFFAOYSA-N -1 2 338.370 1.378 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)NC(=O)C1CC(F)(F)C1 ZINC000833348045 594831779 /nfs/dbraw/zinc/83/17/79/594831779.db2.gz MJGHZSFNCQYTLL-UHFFFAOYSA-N -1 2 325.314 1.297 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c(C(=O)[O-])c1 ZINC000833751437 594921798 /nfs/dbraw/zinc/92/17/98/594921798.db2.gz YKCFFSISNLDLHT-UHFFFAOYSA-N -1 2 345.327 1.956 20 0 EDADLM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3cccs3)cc2C1 ZINC000834122170 595020433 /nfs/dbraw/zinc/02/04/33/595020433.db2.gz OGEVOQXOOJBNNJ-UHFFFAOYSA-N -1 2 339.398 1.980 20 0 EDADLM C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852757070 595528441 /nfs/dbraw/zinc/52/84/41/595528441.db2.gz IVZKTMBNSVDFQY-UPJWGTAASA-N -1 2 337.386 1.096 20 0 EDADLM CCC(F)(F)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852959228 595629759 /nfs/dbraw/zinc/62/97/59/595629759.db2.gz YRCXPWZEUYCLDZ-RNFRBKRXSA-N -1 2 346.252 1.154 20 0 EDADLM COc1ccccc1S(=O)(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000037461844 600050899 /nfs/dbraw/zinc/05/08/99/600050899.db2.gz XCCFRHITZPPSFN-UHFFFAOYSA-N -1 2 328.371 1.580 20 0 EDADLM Cc1nn(C)c(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C ZINC000738918203 600126752 /nfs/dbraw/zinc/12/67/52/600126752.db2.gz JJRUKCIJEPDQHS-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C(=O)[O-])[nH]1 ZINC000322204425 600254770 /nfs/dbraw/zinc/25/47/70/600254770.db2.gz NAHSZLTZXYFWCE-UHFFFAOYSA-N -1 2 343.292 1.869 20 0 EDADLM Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(C(=O)[O-])ccn3)cc12 ZINC000738919321 600577018 /nfs/dbraw/zinc/57/70/18/600577018.db2.gz UWZAMFXOFVWYBX-UHFFFAOYSA-N -1 2 347.356 1.171 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)cc1[N+](=O)[O-] ZINC000391322666 600982520 /nfs/dbraw/zinc/98/25/20/600982520.db2.gz RNSLZQMBPILOLC-UHFFFAOYSA-N -1 2 337.313 1.797 20 0 EDADLM C[C@H]1[C@@H](NC(=O)c2cnc[nH]c2=O)CCC[N@H+]1Cc1ccc(F)cn1 ZINC000993473844 696154533 /nfs/dbraw/zinc/15/45/33/696154533.db2.gz WWGPPGPVIVCOTH-NHYWBVRUSA-N -1 2 345.378 1.499 20 0 EDADLM CC(C)=CC(=O)N1C[C@H](C[NH2+]Cc2n[nH]c(=O)[nH]2)[C@H](C(F)(F)F)C1 ZINC000996826344 703111206 /nfs/dbraw/zinc/11/12/06/703111206.db2.gz TYHGMWPCJJARLO-VHSXEESVSA-N -1 2 347.341 1.203 20 0 EDADLM CCc1cc2c(C[N@@H+](C)CCS(C)(=O)=O)cc(=O)oc2cc1O ZINC000102772649 219229480 /nfs/dbraw/zinc/22/94/80/219229480.db2.gz DBCNCUYINSODJQ-UHFFFAOYSA-N -1 2 339.413 1.537 20 0 EDADLM CO[C@@H](C)c1nc(=NC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)s[n-]1 ZINC000350666837 143548306 /nfs/dbraw/zinc/54/83/06/143548306.db2.gz MSUJMTDHSZPMCE-IUCAKERBSA-N -1 2 343.453 1.434 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000357352559 151005126 /nfs/dbraw/zinc/00/51/26/151005126.db2.gz DLBLYGQKWCOOAV-UHFFFAOYSA-N -1 2 337.313 1.669 20 0 EDADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cn(C)nc2C)c1 ZINC000352436757 162180783 /nfs/dbraw/zinc/18/07/83/162180783.db2.gz KAJFPNFQWSACNN-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000272453332 443323908 /nfs/dbraw/zinc/32/39/08/443323908.db2.gz WOLMJOFGPXOWHV-UHFFFAOYSA-N -1 2 334.304 1.493 20 0 EDADLM FC(F)(F)c1nc(=NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)s[n-]1 ZINC000376219712 446386297 /nfs/dbraw/zinc/38/62/97/446386297.db2.gz GNKVHABLGFLTAE-ZJUUUORDSA-N -1 2 336.383 1.892 20 0 EDADLM [NH3+]C[C@H](NS(=O)(=O)NCC(F)(F)F)c1ccc2ccccc2c1 ZINC000420411474 446584206 /nfs/dbraw/zinc/58/42/06/446584206.db2.gz BBPVPMQJMVMGSB-ZDUSSCGKSA-N -1 2 347.362 1.826 20 0 EDADLM Cn1c[nH+]c(CCNS(=O)(=O)c2cc(F)ccc2OC(F)F)c1 ZINC000420746565 446789649 /nfs/dbraw/zinc/78/96/49/446789649.db2.gz IFYXHSOZTMJVTG-UHFFFAOYSA-N -1 2 349.334 1.682 20 0 EDADLM CN(C)c1ncc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000443461285 447055252 /nfs/dbraw/zinc/05/52/52/447055252.db2.gz NGUHLTAFVIAFIQ-UHFFFAOYSA-N -1 2 328.375 1.103 20 0 EDADLM CC(C)(C)C(CSc1n[nH]c(=O)[n-]1)CSc1n[nH]c(=O)[nH]1 ZINC000446071446 447230098 /nfs/dbraw/zinc/23/00/98/447230098.db2.gz QBSLWVZNERPLNP-UHFFFAOYSA-N -1 2 330.439 1.881 20 0 EDADLM COC(=O)c1nscc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000532298310 448228212 /nfs/dbraw/zinc/22/82/12/448228212.db2.gz QRWHOZOCMIWBNH-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM O=C([O-])c1ccn(-c2ccccc2NS(=O)(=O)c2cccnc2)n1 ZINC000548203765 449004435 /nfs/dbraw/zinc/00/44/35/449004435.db2.gz OJQFVFPGFHUCDG-UHFFFAOYSA-N -1 2 344.352 1.766 20 0 EDADLM C[C@H]1CN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC[C@@H]1C(=O)[O-] ZINC000630561775 451245090 /nfs/dbraw/zinc/24/50/90/451245090.db2.gz RIALDYHQCYHFEX-IUCAKERBSA-N -1 2 326.422 1.832 20 0 EDADLM CC(C)n1cc(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)nn1 ZINC000641564487 452095660 /nfs/dbraw/zinc/09/56/60/452095660.db2.gz NQLHJSNPKJIEEK-UHFFFAOYSA-N -1 2 349.460 1.325 20 0 EDADLM Cn1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2[nH+]ccn2C)n1 ZINC000651873936 452134927 /nfs/dbraw/zinc/13/49/27/452134927.db2.gz CYRATBKGLALGEI-CQSZACIVSA-N -1 2 345.428 1.416 20 0 EDADLM CC(C)(C)n1cnc(=NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)[nH]1 ZINC000649542485 452135599 /nfs/dbraw/zinc/13/55/99/452135599.db2.gz GXKJIBDOUGYWKQ-QGZVFWFLSA-N -1 2 345.403 1.619 20 0 EDADLM CC[C@@H](C(=O)N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000665826717 452401655 /nfs/dbraw/zinc/40/16/55/452401655.db2.gz USTQYEFSMYSANL-NWDGAFQWSA-N -1 2 340.790 1.538 20 0 EDADLM CC[C@H](C(=O)N[C@@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000665826738 452401832 /nfs/dbraw/zinc/40/18/32/452401832.db2.gz USTQYEFSMYSANL-VXGBXAGGSA-N -1 2 340.790 1.538 20 0 EDADLM O=C([O-])[C@@H]1CCCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000663025159 453651746 /nfs/dbraw/zinc/65/17/46/453651746.db2.gz FSCQYIBCWQATIN-LBPRGKRZSA-N -1 2 333.319 1.796 20 0 EDADLM O=C([O-])[C@@H](CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C1CCC1 ZINC000663156112 453709497 /nfs/dbraw/zinc/70/94/97/453709497.db2.gz HZMQWRJTCHZAAA-ZDUSSCGKSA-N -1 2 347.346 1.948 20 0 EDADLM O=C([O-])N1CCC(CNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000740421055 579344389 /nfs/dbraw/zinc/34/43/89/579344389.db2.gz VTIONOOYRKHIAE-UHFFFAOYSA-N -1 2 346.343 1.150 20 0 EDADLM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000740577525 579363427 /nfs/dbraw/zinc/36/34/27/579363427.db2.gz WKYWNNMGMQKIHX-PWSUYJOCSA-N -1 2 346.343 1.795 20 0 EDADLM CC(C)Cc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000736452705 578989788 /nfs/dbraw/zinc/98/97/88/578989788.db2.gz DLCQWVAUWIFLJP-UHFFFAOYSA-N -1 2 337.401 1.967 20 0 EDADLM CN(C)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nc1 ZINC000737954591 579143393 /nfs/dbraw/zinc/14/33/93/579143393.db2.gz DHQXPWSOXUESHH-UHFFFAOYSA-N -1 2 339.348 1.786 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C1CC1 ZINC000769871147 580247507 /nfs/dbraw/zinc/24/75/07/580247507.db2.gz YGBPSXWTBSDGKX-UHFFFAOYSA-N -1 2 339.348 1.936 20 0 EDADLM COc1cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)nn1C ZINC000775294783 580387458 /nfs/dbraw/zinc/38/74/58/580387458.db2.gz UVRQVIYBBFBVQX-UHFFFAOYSA-N -1 2 347.299 1.206 20 0 EDADLM C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1c(O)cnc2c(F)cccc21 ZINC000900614825 592071743 /nfs/dbraw/zinc/07/17/43/592071743.db2.gz TZKYQVSGCRNMSN-GFCCVEGCSA-N -1 2 346.406 1.445 20 0 EDADLM C[C@H]1CC/C(=C\C(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])C1 ZINC000828200193 594363870 /nfs/dbraw/zinc/36/38/70/594363870.db2.gz CKMFQCOLKVFOAO-INTFFVIUSA-N -1 2 329.399 1.998 20 0 EDADLM C[C@@H]1CC[C@H](CCC(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])O1 ZINC000828221183 594368146 /nfs/dbraw/zinc/36/81/46/594368146.db2.gz JBIQITXBMUBIEM-RKDXNWHRSA-N -1 2 347.414 1.599 20 0 EDADLM Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cncc(O)c3)C2)c1 ZINC000826558363 594525314 /nfs/dbraw/zinc/52/53/14/594525314.db2.gz WQXHFIULSBVQTH-GOSISDBHSA-N -1 2 341.411 1.726 20 0 EDADLM COc1ccc(NC(=O)CSc2nc(C)n[nH]2)cc1NC(=O)[O-] ZINC000829453140 594616426 /nfs/dbraw/zinc/61/64/26/594616426.db2.gz BIGDPRZGTKYQBE-UHFFFAOYSA-N -1 2 337.361 1.942 20 0 EDADLM COC(=O)c1ccncc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000831457363 594634017 /nfs/dbraw/zinc/63/40/17/594634017.db2.gz FPJIRIVEEYIIJM-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000833014405 594791216 /nfs/dbraw/zinc/79/12/16/594791216.db2.gz OADFEFATDLKIQE-UHFFFAOYSA-N -1 2 332.769 1.219 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1C(=O)[O-] ZINC000833055258 594794753 /nfs/dbraw/zinc/79/47/53/594794753.db2.gz FELABHHVVAJGCQ-UHFFFAOYSA-N -1 2 328.375 1.253 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2nc(CCCC(=O)[O-])cs2)S1 ZINC000833089332 594796984 /nfs/dbraw/zinc/79/69/84/594796984.db2.gz NAFVWYLYWKCGSW-SSDOTTSWSA-N -1 2 342.402 1.045 20 0 EDADLM N=C1NC(=O)[C@@H](CC(=O)Nc2nc(CCCC(=O)[O-])cs2)S1 ZINC000833089332 594796985 /nfs/dbraw/zinc/79/69/85/594796985.db2.gz NAFVWYLYWKCGSW-SSDOTTSWSA-N -1 2 342.402 1.045 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)cn1 ZINC000833274317 594818628 /nfs/dbraw/zinc/81/86/28/594818628.db2.gz ZADRYLOGPFYTTF-UHFFFAOYSA-N -1 2 349.368 1.288 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)c[nH]1 ZINC000833306280 594824170 /nfs/dbraw/zinc/82/41/70/594824170.db2.gz MHGPMVMMKIJQOM-UHFFFAOYSA-N -1 2 346.368 1.759 20 0 EDADLM CC(C)[C@H](C(=O)[O-])C(=O)NS(=O)(=O)c1cn(C)c2ccccc12 ZINC000863957819 596730465 /nfs/dbraw/zinc/73/04/65/596730465.db2.gz UGQKBZMCZGMVFM-ZDUSSCGKSA-N -1 2 338.385 1.340 20 0 EDADLM Cc1ccncc1S(=O)(=O)NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863963149 596734057 /nfs/dbraw/zinc/73/40/57/596734057.db2.gz LYDSAMIDKFZIFN-LBPRGKRZSA-N -1 2 326.374 1.086 20 0 EDADLM CC(C)Oc1cncc(S(=O)(=O)NC(=O)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000863963684 596734826 /nfs/dbraw/zinc/73/48/26/596734826.db2.gz DLMIXMMQMWSJFH-LBPRGKRZSA-N -1 2 344.389 1.031 20 0 EDADLM COC(=O)c1csc(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1 ZINC000737712715 600514466 /nfs/dbraw/zinc/51/44/66/600514466.db2.gz FOOPZDICQAWJAB-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM COc1ncc(S(=O)(=O)NCc2nc(C[NH+](C)C)cs2)s1 ZINC000921093758 697513559 /nfs/dbraw/zinc/51/35/59/697513559.db2.gz RDGLUPOYOOHAIS-UHFFFAOYSA-N -1 2 348.475 1.148 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)cc2[nH]c1=S ZINC000175415017 697748822 /nfs/dbraw/zinc/74/88/22/697748822.db2.gz MBEXVGIUHSRWHT-UHFFFAOYSA-N -1 2 346.456 1.529 20 0 EDADLM COc1nn(C)cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000352309166 162108637 /nfs/dbraw/zinc/10/86/37/162108637.db2.gz QWIVEDRVVUIUMY-UHFFFAOYSA-N -1 2 329.309 1.067 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc1C(=O)[O-] ZINC000362018846 162306632 /nfs/dbraw/zinc/30/66/32/162306632.db2.gz UAMTZMKUYHBJBP-UHFFFAOYSA-N -1 2 345.327 1.956 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2c(C)cc(OC)cc2C(=O)[O-])cn1 ZINC000273536216 273042323 /nfs/dbraw/zinc/04/23/23/273042323.db2.gz VPAGYNDOCNQCHO-UHFFFAOYSA-N -1 2 339.373 1.719 20 0 EDADLM Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000342426675 301363803 /nfs/dbraw/zinc/36/38/03/301363803.db2.gz LSOKJNVAPAMKLP-SECBINFHSA-N -1 2 338.389 1.990 20 0 EDADLM Cc1[nH]ncc1CCCNS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000295998913 303288483 /nfs/dbraw/zinc/28/84/83/303288483.db2.gz LYTLSGWZXRVCMG-UHFFFAOYSA-N -1 2 332.788 1.817 20 0 EDADLM CCCOC(=O)[C@H](C)[NH+]1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 ZINC000277827772 444046555 /nfs/dbraw/zinc/04/65/55/444046555.db2.gz RIVKYKKGSINDSM-NSHDSACASA-N -1 2 338.408 1.503 20 0 EDADLM CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289538733 444167310 /nfs/dbraw/zinc/16/73/10/444167310.db2.gz WOABCIUGVGILCK-RYUDHWBXSA-N -1 2 347.423 1.082 20 0 EDADLM CC[C@@H]1[C@@H](C(=O)Nc2cc(S(=O)(=O)CC)ccc2O)CC[N@@H+]1C ZINC000632027647 450979793 /nfs/dbraw/zinc/97/97/93/450979793.db2.gz JVFHHCNQVFKPJF-GXTWGEPZSA-N -1 2 340.445 1.855 20 0 EDADLM CCC[C@@H]1CN(C(=O)CCc2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000632307626 451189135 /nfs/dbraw/zinc/18/91/35/451189135.db2.gz JIUSOLIQQYZBIX-MRXNPFEDSA-N -1 2 342.447 1.645 20 0 EDADLM CCC[C@@H]1CN(C(=O)CCc2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000632307626 451189140 /nfs/dbraw/zinc/18/91/40/451189140.db2.gz JIUSOLIQQYZBIX-MRXNPFEDSA-N -1 2 342.447 1.645 20 0 EDADLM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000647249027 452145449 /nfs/dbraw/zinc/14/54/49/452145449.db2.gz YCEDNDFIMZQEJI-LLVKDONJSA-N -1 2 345.355 1.747 20 0 EDADLM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000647249028 452145696 /nfs/dbraw/zinc/14/56/96/452145696.db2.gz YCEDNDFIMZQEJI-NSHDSACASA-N -1 2 345.355 1.747 20 0 EDADLM C[C@@H](Nc1nc[nH+]c(N[C@H](C)C(=O)[O-])c1Br)C(=O)[O-] ZINC000662878691 453584421 /nfs/dbraw/zinc/58/44/21/453584421.db2.gz YSEAPYYGLZRIBT-RFZPGFLSSA-N -1 2 333.142 1.009 20 0 EDADLM CC(C)(CCNC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C(=O)[O-] ZINC000663057980 453665121 /nfs/dbraw/zinc/66/51/21/453665121.db2.gz LJDAXXFVGPUFDL-UHFFFAOYSA-N -1 2 335.335 1.948 20 0 EDADLM Cc1ncsc1[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000530338992 487344911 /nfs/dbraw/zinc/34/49/11/487344911.db2.gz DHEIAKFVDRCVPU-WDSKDSINSA-N -1 2 332.325 1.447 20 0 EDADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000740146797 578506657 /nfs/dbraw/zinc/50/66/57/578506657.db2.gz VPWSKRWXHGADQV-UHFFFAOYSA-N -1 2 349.290 1.786 20 0 EDADLM CC1(C)C[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C(C)(C)CO1 ZINC000736212578 578963980 /nfs/dbraw/zinc/96/39/80/578963980.db2.gz AOWFSLHIJFNRCU-UHFFFAOYSA-N -1 2 344.419 1.695 20 0 EDADLM CCc1c[nH+]ccc1NC(=O)[C@H](C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000736702296 579013538 /nfs/dbraw/zinc/01/35/38/579013538.db2.gz OLVOHFWPOFJHMA-NSHDSACASA-N -1 2 338.371 1.652 20 0 EDADLM Cc1cc[nH+]c(N)c1CN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000893963146 591146264 /nfs/dbraw/zinc/14/62/64/591146264.db2.gz ZEAGPHMIYKBTJU-UHFFFAOYSA-N -1 2 326.400 1.636 20 0 EDADLM C[C@H](NC(=O)c1c(O)cnc2c(F)cccc21)[C@H]1CN(C)CC[N@@H+]1C ZINC000900805534 592129605 /nfs/dbraw/zinc/12/96/05/592129605.db2.gz PYNVMXLMESXIID-SMDDNHRTSA-N -1 2 346.406 1.444 20 0 EDADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)CC1(F)CC1 ZINC000905986656 592705383 /nfs/dbraw/zinc/70/53/83/592705383.db2.gz JXTUTKPISUXURU-UHFFFAOYSA-N -1 2 331.365 1.956 20 0 EDADLM CCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)nn1C ZINC000817353544 593594142 /nfs/dbraw/zinc/59/41/42/593594142.db2.gz VPNIKASQSNOWBO-UHFFFAOYSA-N -1 2 329.403 1.851 20 0 EDADLM COc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)ccc1OCCO ZINC000821716899 593922963 /nfs/dbraw/zinc/92/29/63/593922963.db2.gz GKPAMBYSFKTLGM-UHFFFAOYSA-N -1 2 345.359 1.129 20 0 EDADLM CCc1nnc2n1C[C@H](Nc1[nH+]c(C)ccc1-c1nn[nH]n1)CC2 ZINC000825771307 594242686 /nfs/dbraw/zinc/24/26/86/594242686.db2.gz JNOQTVIVLXFQPA-SNVBAGLBSA-N -1 2 325.380 1.151 20 0 EDADLM C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000825832033 594257827 /nfs/dbraw/zinc/25/78/27/594257827.db2.gz PMJQWOHOQAFYLA-JOYOIKCWSA-N -1 2 346.343 1.291 20 0 EDADLM C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)CC2=O)CC[C@@H]1NC(=O)[O-] ZINC000826042693 594314605 /nfs/dbraw/zinc/31/46/05/594314605.db2.gz RKPROOSKSLJOGX-YPMHNXCESA-N -1 2 344.371 1.696 20 0 EDADLM CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])o2)s1 ZINC000826528265 594520070 /nfs/dbraw/zinc/52/00/70/594520070.db2.gz RQICCRCONFACCB-UHFFFAOYSA-N -1 2 331.375 1.928 20 0 EDADLM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(Cl)c(Cl)c1O ZINC000831068131 594548024 /nfs/dbraw/zinc/54/80/24/594548024.db2.gz YKVPISUFBJLYEC-SSDOTTSWSA-N -1 2 336.127 1.445 20 0 EDADLM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000831166108 594572929 /nfs/dbraw/zinc/57/29/29/594572929.db2.gz QHAZXFFNCKFNBJ-XBVQOTNRSA-N -1 2 346.475 1.840 20 0 EDADLM CC(C)c1cnc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)s1 ZINC000827139263 594646537 /nfs/dbraw/zinc/64/65/37/594646537.db2.gz INGQYTOEAGMOKX-UHFFFAOYSA-N -1 2 330.391 1.348 20 0 EDADLM COc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c(F)c1 ZINC000832011412 594719038 /nfs/dbraw/zinc/71/90/38/594719038.db2.gz XMEVDSJVFQQGRG-UHFFFAOYSA-N -1 2 346.311 1.811 20 0 EDADLM Cn1nc(-c2ccncc2)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000833059875 594795149 /nfs/dbraw/zinc/79/51/49/594795149.db2.gz CKZTZOCVNYLPBD-UHFFFAOYSA-N -1 2 347.356 1.309 20 0 EDADLM COc1cc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ncn1 ZINC000833730110 594917950 /nfs/dbraw/zinc/91/79/50/594917950.db2.gz WBJIWCYNNZBNGA-DAXSKMNVSA-N -1 2 335.341 1.384 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000848682701 595427970 /nfs/dbraw/zinc/42/79/70/595427970.db2.gz DSTPTGGUCDSPGF-CRCLSJGQSA-N -1 2 332.325 1.773 20 0 EDADLM CCC(F)(F)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852959226 595629426 /nfs/dbraw/zinc/62/94/26/595629426.db2.gz YRCXPWZEUYCLDZ-BQBZGAKWSA-N -1 2 346.252 1.154 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000853071769 595656194 /nfs/dbraw/zinc/65/61/94/595656194.db2.gz SCRDEYHEHUDRBK-NTSWFWBYSA-N -1 2 345.261 1.900 20 0 EDADLM CN(C(=O)C(C)(F)F)[C@@H]1CC[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001032871469 710574677 /nfs/dbraw/zinc/57/46/77/710574677.db2.gz IXZJROQYHJPCRE-GFCCVEGCSA-N -1 2 340.374 1.748 20 0 EDADLM COc1ccc(C(=O)NC(=O)C[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000364648272 153293926 /nfs/dbraw/zinc/29/39/26/153293926.db2.gz BVCIFQONNDASPY-UHFFFAOYSA-N -1 2 342.399 1.554 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cc(O)cc(F)c2)c1 ZINC000436542436 305160143 /nfs/dbraw/zinc/16/01/43/305160143.db2.gz CAMGZVIVPYWZIR-UHFFFAOYSA-N -1 2 327.289 1.736 20 0 EDADLM Cc1ccnc2c1cccc2S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000548283306 306123380 /nfs/dbraw/zinc/12/33/80/306123380.db2.gz IOOZXDWYGIWWPH-UHFFFAOYSA-N -1 2 346.368 1.776 20 0 EDADLM CCOc1nc2cc(-c3nc([C@@H]4C[N@H+](C)CCN4C)no3)ccc2[nH]1 ZINC000351219431 319097204 /nfs/dbraw/zinc/09/72/04/319097204.db2.gz VHWGVPFEYXLKKL-AWEZNQCLSA-N -1 2 342.403 1.930 20 0 EDADLM COC(=O)c1csc(S(=O)(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000280328331 443694360 /nfs/dbraw/zinc/69/43/60/443694360.db2.gz UMHONOPJTOUSMQ-UHFFFAOYSA-N -1 2 330.431 1.075 20 0 EDADLM Cc1cc(C(=O)Nc2cccc(O)c2F)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000536462253 320725219 /nfs/dbraw/zinc/72/52/19/320725219.db2.gz DEIUJZQAYJHVRU-UHFFFAOYSA-N -1 2 330.275 1.841 20 0 EDADLM CCOc1nc2cc(C(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)ccc2[nH]1 ZINC000329212024 444503197 /nfs/dbraw/zinc/50/31/97/444503197.db2.gz ZQDGDNIPLNUJIH-CVEARBPZSA-N -1 2 344.415 1.507 20 0 EDADLM CCOc1nc2cc(C(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)ccc2[nH]1 ZINC000329212024 444503198 /nfs/dbraw/zinc/50/31/98/444503198.db2.gz ZQDGDNIPLNUJIH-CVEARBPZSA-N -1 2 344.415 1.507 20 0 EDADLM CC[C@H](C)n1ncc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C ZINC000359662769 445363389 /nfs/dbraw/zinc/36/33/89/445363389.db2.gz KXMBHOVJMIDGOY-QMMMGPOBSA-N -1 2 326.378 1.990 20 0 EDADLM CCOc1ccc(OC)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000356781285 446011858 /nfs/dbraw/zinc/01/18/58/446011858.db2.gz OXHJEOQRBXIMFE-UHFFFAOYSA-N -1 2 340.357 1.921 20 0 EDADLM O=C1NC[C@@H]2C[N@@H+](Cc3cc(=O)[nH]c(-c4ccccc4)n3)CCN12 ZINC000459342413 447639944 /nfs/dbraw/zinc/63/99/44/447639944.db2.gz LBXLAVXVCYQYAI-CQSZACIVSA-N -1 2 325.372 1.059 20 0 EDADLM O=S(=O)(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccn1 ZINC000569750165 447882707 /nfs/dbraw/zinc/88/27/07/447882707.db2.gz MUIGVDHRXZJTOA-MRXNPFEDSA-N -1 2 347.440 1.261 20 0 EDADLM C[C@H](CNC(=O)CCCc1nn[nH]n1)[N@@H+]1CCc2ccccc2C1 ZINC000635245443 450780399 /nfs/dbraw/zinc/78/03/99/450780399.db2.gz KWGGNAKGFPTBRL-CYBMUJFWSA-N -1 2 328.420 1.085 20 0 EDADLM C[C@H](CNC(=O)CCCc1nn[nH]n1)[N@H+]1CCc2ccccc2C1 ZINC000635245443 450780401 /nfs/dbraw/zinc/78/04/01/450780401.db2.gz KWGGNAKGFPTBRL-CYBMUJFWSA-N -1 2 328.420 1.085 20 0 EDADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000650407701 452741294 /nfs/dbraw/zinc/74/12/94/452741294.db2.gz MECFLOJNVPOBIL-HZMBPMFUSA-N -1 2 343.401 1.632 20 0 EDADLM COC(=O)[C@@H](C)CS(=O)(=O)Nc1cc(F)c(C(=O)[O-])cc1OC ZINC000270159468 536441042 /nfs/dbraw/zinc/44/10/42/536441042.db2.gz YLKGWKPFNAJPMB-ZETCQYMHSA-N -1 2 349.336 1.083 20 0 EDADLM O=C([O-])NC1CCC(NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000740558896 579360789 /nfs/dbraw/zinc/36/07/89/579360789.db2.gz RYURHPUOALPUCK-UHFFFAOYSA-N -1 2 346.343 1.339 20 0 EDADLM CC(C)n1cc(S(=O)(=O)Nc2cccc(OCC(=O)[O-])c2)cn1 ZINC000736532713 578996312 /nfs/dbraw/zinc/99/63/12/578996312.db2.gz LPYDEXZAFQEEDL-UHFFFAOYSA-N -1 2 339.373 1.728 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cccc3c2CCCC3)c1C(=O)[O-] ZINC000774621875 580367865 /nfs/dbraw/zinc/36/78/65/580367865.db2.gz MPVPLKBIWWWIAV-UHFFFAOYSA-N -1 2 335.385 1.798 20 0 EDADLM CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(O)cc(Cl)c1 ZINC000891620577 591153377 /nfs/dbraw/zinc/15/33/77/591153377.db2.gz FFYQIRKUUQWTOX-ZDUSSCGKSA-N -1 2 332.853 1.949 20 0 EDADLM O=C([O-])C1(CNC(=O)c2cc(F)c(O)c(Cl)c2)CCOCC1 ZINC000909527010 591252541 /nfs/dbraw/zinc/25/25/41/591252541.db2.gz BKGKFBCLPHFGCX-UHFFFAOYSA-N -1 2 331.727 1.796 20 0 EDADLM O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc(O)c2ccccc2c1 ZINC000899061303 591665396 /nfs/dbraw/zinc/66/53/96/591665396.db2.gz BKGABQLPZZJPNE-UHFFFAOYSA-N -1 2 342.395 1.724 20 0 EDADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc3c2COC3=O)c1 ZINC000808126672 593225871 /nfs/dbraw/zinc/22/58/71/593225871.db2.gz CYGXQQZTWOYWFM-UHFFFAOYSA-N -1 2 339.350 1.918 20 0 EDADLM CCOC(=O)c1n[nH]c(-c2cccc(CNCc3cnn(C)n3)c2)n1 ZINC000816611761 593534813 /nfs/dbraw/zinc/53/48/13/593534813.db2.gz WXHZAMDOABKPTL-UHFFFAOYSA-N -1 2 341.375 1.067 20 0 EDADLM Cc1cc(C(=O)Nn2c(=O)[n-][nH]c2=O)nc(-c2ccc(Cl)cc2)n1 ZINC000816731229 593544582 /nfs/dbraw/zinc/54/45/82/593544582.db2.gz HEJXAFOWGPSJEU-UHFFFAOYSA-N -1 2 346.734 1.492 20 0 EDADLM C[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000820778102 593888296 /nfs/dbraw/zinc/88/82/96/593888296.db2.gz VUSCKDFYWZFREI-GXFFZTMASA-N -1 2 349.826 1.072 20 0 EDADLM Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000822649511 594078980 /nfs/dbraw/zinc/07/89/80/594078980.db2.gz FGQPXQSXGBSHEU-UHFFFAOYSA-N -1 2 334.343 1.848 20 0 EDADLM CC(C)(C(=O)[O-])[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccccc1 ZINC000826089251 594328627 /nfs/dbraw/zinc/32/86/27/594328627.db2.gz KOJCJYYPUDEXHM-JQWIXIFHSA-N -1 2 349.412 1.511 20 0 EDADLM Cc1n[nH]c(SCC(=O)N2CCN(C(=O)[O-])Cc3ccccc32)n1 ZINC000830678047 594454947 /nfs/dbraw/zinc/45/49/47/594454947.db2.gz LTEYFMPMSBIVTL-UHFFFAOYSA-N -1 2 347.400 1.732 20 0 EDADLM COC(=O)C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1O)C(=O)[O-] ZINC000831134151 594565390 /nfs/dbraw/zinc/56/53/90/594565390.db2.gz MHKDIZUMCGXESM-SSDOTTSWSA-N -1 2 336.127 1.445 20 0 EDADLM COC(=O)c1nscc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000831470357 594636881 /nfs/dbraw/zinc/63/68/81/594636881.db2.gz HOOTYGYVZQFYIT-UHFFFAOYSA-N -1 2 348.383 1.490 20 0 EDADLM COc1cc(F)ccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832011398 594719121 /nfs/dbraw/zinc/71/91/21/594719121.db2.gz WRWZMCKHQDVQHA-UHFFFAOYSA-N -1 2 332.334 1.790 20 0 EDADLM Cc1nc(NS(=O)(=O)c2cn(C)c(Cl)n2)sc1C(=O)[O-] ZINC000833003108 594790513 /nfs/dbraw/zinc/79/05/13/594790513.db2.gz MSLOHQFLBZSZPM-UHFFFAOYSA-N -1 2 336.782 1.337 20 0 EDADLM Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1csnc1C(=O)[O-] ZINC000833014755 594791481 /nfs/dbraw/zinc/79/14/81/594791481.db2.gz XAQVTQGDSUFTLB-UHFFFAOYSA-N -1 2 336.782 1.337 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(-c3cccnc3)[nH]n2)c[nH]1 ZINC000833303922 594823361 /nfs/dbraw/zinc/82/33/61/594823361.db2.gz AGTXHYQXJKJTGZ-UHFFFAOYSA-N -1 2 333.329 1.299 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)s1 ZINC000232264111 601501924 /nfs/dbraw/zinc/50/19/24/601501924.db2.gz QTMNNKJLYYVIIW-UHFFFAOYSA-N -1 2 327.387 1.908 20 0 EDADLM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cncc(C(=O)[O-])c1 ZINC000320417480 604889314 /nfs/dbraw/zinc/88/93/14/604889314.db2.gz GTDUTXKHJWMORZ-UHFFFAOYSA-N -1 2 337.313 1.797 20 0 EDADLM Cc1cnoc1C(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001015937227 702446692 /nfs/dbraw/zinc/44/66/92/702446692.db2.gz ZIRAZQKPEVAWEH-GFCCVEGCSA-N -1 2 343.387 1.360 20 0 EDADLM CC(C)(C)OC(=O)NC(C(=O)[N-]O[C@@H]1CCOC1)C(F)(F)F ZINC000496376732 255388889 /nfs/dbraw/zinc/38/88/89/255388889.db2.gz BRDONAOSFUKDOB-SFYZADRCSA-N -1 2 328.287 1.279 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c[nH]1 ZINC000118301346 221137921 /nfs/dbraw/zinc/13/79/21/221137921.db2.gz ZCPISWDAQBUUCT-UHFFFAOYSA-N -1 2 338.267 1.273 20 0 EDADLM CCCCn1ncc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C ZINC000160169741 302920795 /nfs/dbraw/zinc/92/07/95/302920795.db2.gz WJUCHHJLUIJMJY-UHFFFAOYSA-N -1 2 326.378 1.819 20 0 EDADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)CC(C)(C)OC)c1OC ZINC000436478584 305158140 /nfs/dbraw/zinc/15/81/40/305158140.db2.gz RAZGWZMCKDHLGM-UHFFFAOYSA-N -1 2 347.389 1.569 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3nccnc3c2)c1 ZINC000436997698 305171662 /nfs/dbraw/zinc/17/16/62/305171662.db2.gz XFKRWIAUJKWKGZ-UHFFFAOYSA-N -1 2 345.336 1.834 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)cc1C(=O)[O-] ZINC000426300956 447414077 /nfs/dbraw/zinc/41/40/77/447414077.db2.gz ACSQWBIZFHICIK-UHFFFAOYSA-N -1 2 348.340 1.466 20 0 EDADLM O=C([O-])c1ccc(NC(=O)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000053847751 441545263 /nfs/dbraw/zinc/54/52/63/441545263.db2.gz QRFKEBRTCATKAM-UHFFFAOYSA-N -1 2 329.337 1.864 20 0 EDADLM C[C@@H](NS(=O)(=O)CC(F)(F)F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000563078668 321094549 /nfs/dbraw/zinc/09/45/49/321094549.db2.gz ATDGBSIJPISYTA-MWLCHTKSSA-N -1 2 339.335 1.800 20 0 EDADLM CCOc1cc(C[N@@H+](CCOC)[C@@H](C)C(N)=O)cc(Cl)c1O ZINC000297666363 444315738 /nfs/dbraw/zinc/31/57/38/444315738.db2.gz JVMPXUDCPMITIC-JTQLQIEISA-N -1 2 330.812 1.767 20 0 EDADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000340734877 444493330 /nfs/dbraw/zinc/49/33/30/444493330.db2.gz GXNNEKKEZLEWRK-UHFFFAOYSA-N -1 2 345.327 1.576 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000343844270 444622731 /nfs/dbraw/zinc/62/27/31/444622731.db2.gz WJFNDAKZBSOCSC-UHFFFAOYSA-N -1 2 342.304 1.325 20 0 EDADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccn(CC(F)F)n1 ZINC000341312238 444774506 /nfs/dbraw/zinc/77/45/06/444774506.db2.gz YLXACCJKSQQGBO-UHFFFAOYSA-N -1 2 345.327 1.956 20 0 EDADLM O=C(NC1(c2nn[nH]n2)CCCC1)c1nn(-c2ccccc2)cc1[O-] ZINC000362813400 445561537 /nfs/dbraw/zinc/56/15/37/445561537.db2.gz LPRMADIWDNOJTI-UHFFFAOYSA-N -1 2 339.359 1.290 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cn1 ZINC000350729874 445889912 /nfs/dbraw/zinc/88/99/12/445889912.db2.gz OFRZVKCGOGCXFI-NSHDSACASA-N -1 2 337.401 1.967 20 0 EDADLM C[N@@H+](CC(=O)NCc1cccs1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459355354 447644154 /nfs/dbraw/zinc/64/41/54/447644154.db2.gz YUWFPGMKSFULNX-UHFFFAOYSA-N -1 2 332.429 1.869 20 0 EDADLM CCOc1cc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)cc(Cl)c1O ZINC000459521669 447693850 /nfs/dbraw/zinc/69/38/50/447693850.db2.gz ZSPYPEVNNQXOAN-JTQLQIEISA-N -1 2 334.825 1.307 20 0 EDADLM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cnn2c1OCCC2 ZINC000515668675 448342800 /nfs/dbraw/zinc/34/28/00/448342800.db2.gz MIJSGLOHXBTKOH-UHFFFAOYSA-N -1 2 340.343 1.717 20 0 EDADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000605291628 449365394 /nfs/dbraw/zinc/36/53/94/449365394.db2.gz JWBDRWIAWBCTBM-QMMMGPOBSA-N -1 2 349.792 1.968 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c(F)c1 ZINC000608341842 449812427 /nfs/dbraw/zinc/81/24/27/449812427.db2.gz OXGWGPDVYKZIGO-UHFFFAOYSA-N -1 2 337.332 1.992 20 0 EDADLM COC(=O)c1cccc2[nH]c(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)nc21 ZINC000597418831 450009499 /nfs/dbraw/zinc/00/94/99/450009499.db2.gz WGYYKFOJYZCXMK-GHMZBOCLSA-N -1 2 339.355 1.825 20 0 EDADLM COC(=O)c1cccc2nc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[nH]c21 ZINC000597418831 450009508 /nfs/dbraw/zinc/00/95/08/450009508.db2.gz WGYYKFOJYZCXMK-GHMZBOCLSA-N -1 2 339.355 1.825 20 0 EDADLM CCc1cc(=O)[nH]c(C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)n1 ZINC000625391009 450329530 /nfs/dbraw/zinc/32/95/30/450329530.db2.gz JNMNBCURLLPJEK-LJQANCHMSA-N -1 2 343.427 1.898 20 0 EDADLM O=C([O-])[C@@H](CCF)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000656164725 452920131 /nfs/dbraw/zinc/92/01/31/452920131.db2.gz MYFTZDKFDJGITL-SSDOTTSWSA-N -1 2 331.699 1.709 20 0 EDADLM O=C([O-])N[C@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000740568329 579362035 /nfs/dbraw/zinc/36/20/35/579362035.db2.gz DYGBJYYWXMNQRY-PWSUYJOCSA-N -1 2 346.343 1.795 20 0 EDADLM CCC[C@](C)([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)C(=O)OC ZINC000736418108 578987676 /nfs/dbraw/zinc/98/76/76/578987676.db2.gz ZUISTEHEGURDPX-INIZCTEOSA-N -1 2 333.392 1.567 20 0 EDADLM CCC[C@@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccccn1 ZINC000736435743 578988724 /nfs/dbraw/zinc/98/87/24/578988724.db2.gz LJVGATMCGFEXQU-CQSZACIVSA-N -1 2 349.402 1.935 20 0 EDADLM C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccn(CC(=O)[O-])n3)ccc2O1 ZINC000736826682 579024294 /nfs/dbraw/zinc/02/42/94/579024294.db2.gz WFRRBKNNGMNZNR-SECBINFHSA-N -1 2 337.357 1.092 20 0 EDADLM O=C([O-])Cn1ccc(NC(=O)c2cccc(Br)c2O)n1 ZINC000739919908 579268228 /nfs/dbraw/zinc/26/82/28/579268228.db2.gz OZTRLYSCFBDYDD-UHFFFAOYSA-N -1 2 340.133 1.688 20 0 EDADLM Cc1n[nH]cc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740031227 579282347 /nfs/dbraw/zinc/28/23/47/579282347.db2.gz NHGVDNLRHWAYMN-UHFFFAOYSA-N -1 2 336.373 1.950 20 0 EDADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cccc2nonc21 ZINC000765049896 580134011 /nfs/dbraw/zinc/13/40/11/580134011.db2.gz UFZALCPYSYUOTF-UHFFFAOYSA-N -1 2 337.288 1.861 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C1CC1 ZINC000769871826 580247562 /nfs/dbraw/zinc/24/75/62/580247562.db2.gz PZHCQEARKGACHC-UHFFFAOYSA-N -1 2 335.385 1.725 20 0 EDADLM Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC000776425489 580417017 /nfs/dbraw/zinc/41/70/17/580417017.db2.gz AXSCGYOLNKZQQV-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900812038 592132843 /nfs/dbraw/zinc/13/28/43/592132843.db2.gz QWZFQPUOAAFGQW-AAEUAGOBSA-N -1 2 349.479 1.152 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc2[nH]c1=S ZINC000769525867 593444176 /nfs/dbraw/zinc/44/41/76/593444176.db2.gz KTJOJPMGARYZHD-QMMMGPOBSA-N -1 2 335.385 1.250 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N(C)[C@@H](C)CNC(=O)[O-])=N1 ZINC000827600865 594241908 /nfs/dbraw/zinc/24/19/08/594241908.db2.gz SABNGTLAQFHBRB-NSHDSACASA-N -1 2 346.387 1.868 20 0 EDADLM CCn1nccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000830452375 594398324 /nfs/dbraw/zinc/39/83/24/594398324.db2.gz WZBGSRVBAZPLDR-UHFFFAOYSA-N -1 2 325.346 1.411 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N3CCN(C(=O)[O-])CC3)=N2)cc1 ZINC000829259586 594588992 /nfs/dbraw/zinc/58/89/92/594588992.db2.gz LHPXNQKJUFCSLS-UHFFFAOYSA-N -1 2 346.343 1.022 20 0 EDADLM O=C([O-])N1CC[C@@](F)(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000831908630 594710766 /nfs/dbraw/zinc/71/07/66/594710766.db2.gz SXZZUZPPJQAIFV-AWEZNQCLSA-N -1 2 336.279 1.060 20 0 EDADLM COc1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)nc1 ZINC000832419075 594749021 /nfs/dbraw/zinc/74/90/21/594749021.db2.gz AIQJYPYUYSRIOO-UHFFFAOYSA-N -1 2 338.341 1.598 20 0 EDADLM O=C([O-])CCc1csc(NS(=O)(=O)c2cncc(F)c2)n1 ZINC000833243759 594812612 /nfs/dbraw/zinc/81/26/12/594812612.db2.gz LBMDXKBUOQGENX-UHFFFAOYSA-N -1 2 331.350 1.495 20 0 EDADLM O=C([O-])C1CCC(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000833772247 594926356 /nfs/dbraw/zinc/92/63/56/594926356.db2.gz LULNLELCRPTRMJ-UHFFFAOYSA-N -1 2 331.328 1.859 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1F ZINC000848686419 595428761 /nfs/dbraw/zinc/42/87/61/595428761.db2.gz SLJUDSQIQAPXGH-SSDLBLMSSA-N -1 2 347.261 1.961 20 0 EDADLM C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 ZINC000852672046 596224806 /nfs/dbraw/zinc/22/48/06/596224806.db2.gz KRXVGCRWLMKNOR-MRVWCRGKSA-N -1 2 330.350 1.904 20 0 EDADLM Cn1cc(S(=O)(=O)NC(=O)[C@@H](C(=O)[O-])C2CC2)c2ccccc21 ZINC000863957666 596730296 /nfs/dbraw/zinc/73/02/96/596730296.db2.gz RXCWCSGXWJIFPB-ZDUSSCGKSA-N -1 2 336.369 1.094 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1Cl ZINC000314593281 600528950 /nfs/dbraw/zinc/52/89/50/600528950.db2.gz RBYNEBIJUWSWKY-UHFFFAOYSA-N -1 2 345.764 1.431 20 0 EDADLM O=C([O-])Cn1cc(NS(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000320590178 600529220 /nfs/dbraw/zinc/52/92/20/600529220.db2.gz CCXSDYKHEIXVEB-UHFFFAOYSA-N -1 2 331.353 1.922 20 0 EDADLM O=C(NC[C@H]1CC[N@@H+]1[C@@H]1CCN(C2CCC2)C1=O)c1ccccc1O ZINC001038076534 702986262 /nfs/dbraw/zinc/98/62/62/702986262.db2.gz BCGBKLKUSWWFEL-GDBMZVCRSA-N -1 2 343.427 1.350 20 0 EDADLM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000367121242 154014982 /nfs/dbraw/zinc/01/49/82/154014982.db2.gz MVORODUCXHLTBE-XOCWWTSZSA-N -1 2 345.447 1.005 20 0 EDADLM Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CC[NH+](C2CC2)CC1 ZINC000124728103 287399841 /nfs/dbraw/zinc/39/98/41/287399841.db2.gz XFHBJCHHXFNIMW-UHFFFAOYSA-N -1 2 341.415 1.059 20 0 EDADLM O=S(=O)(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c(F)cc(F)cc1F ZINC000194115299 273000502 /nfs/dbraw/zinc/00/05/02/273000502.db2.gz MFGNJCZIPAGDCJ-VIFPVBQESA-N -1 2 334.363 1.867 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436490824 305158812 /nfs/dbraw/zinc/15/88/12/305158812.db2.gz UZVMGMALLDCYFW-UHFFFAOYSA-N -1 2 339.373 1.496 20 0 EDADLM COc1ccsc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000436846392 305168389 /nfs/dbraw/zinc/16/83/89/305168389.db2.gz NADGFANBMMFJGL-UHFFFAOYSA-N -1 2 329.355 1.961 20 0 EDADLM CC(C)n1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cn1 ZINC000436994216 305171382 /nfs/dbraw/zinc/17/13/82/305171382.db2.gz LDTHIUWGTKYFRQ-UHFFFAOYSA-N -1 2 325.346 1.669 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)c[nH]1 ZINC000444423528 305248134 /nfs/dbraw/zinc/24/81/34/305248134.db2.gz RCZRRQQEYZKIMO-UHFFFAOYSA-N -1 2 338.370 1.965 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1C(=O)[O-] ZINC000540291133 306039279 /nfs/dbraw/zinc/03/92/79/306039279.db2.gz MPSGHRDTHJBXMS-UHFFFAOYSA-N -1 2 335.263 1.336 20 0 EDADLM COc1ncccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000042794492 441787674 /nfs/dbraw/zinc/78/76/74/441787674.db2.gz DHEHRODACZSZRE-UHFFFAOYSA-N -1 2 338.341 1.354 20 0 EDADLM C[C@@H]1CCCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)[C@@H]1C(=O)[O-] ZINC000580073211 322006260 /nfs/dbraw/zinc/00/62/60/322006260.db2.gz FMDSYJCCHJGURI-SKDRFNHKSA-N -1 2 331.328 1.355 20 0 EDADLM [NH3+][C@@H](C(=O)N1CCC(C2N=NC(=O)O2)CC1)c1c(F)cccc1F ZINC000575986799 447944414 /nfs/dbraw/zinc/94/44/14/447944414.db2.gz PXRODRPERZRDEZ-GFCCVEGCSA-N -1 2 338.314 1.459 20 0 EDADLM O=C(Cc1ccc(Br)cc1O)N1CC(n2cc[nH+]c2)C1 ZINC000548729235 449092425 /nfs/dbraw/zinc/09/24/25/449092425.db2.gz GKCZSAKYFPQYHY-UHFFFAOYSA-N -1 2 336.189 1.977 20 0 EDADLM CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000622136838 451061734 /nfs/dbraw/zinc/06/17/34/451061734.db2.gz WFUKVJSUXSLPNU-CYBMUJFWSA-N -1 2 330.388 1.633 20 0 EDADLM CCn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)n1 ZINC000656634725 453344003 /nfs/dbraw/zinc/34/40/03/453344003.db2.gz DWGWHEKISOFIPW-UHFFFAOYSA-N -1 2 335.385 1.891 20 0 EDADLM Cn1ncc2c1nc(C[NH2+]C(C)(C)C(=O)NCC1CCCC1)[nH]c2=O ZINC000678086706 487245404 /nfs/dbraw/zinc/24/54/04/487245404.db2.gz YQHRTIQITWURCD-UHFFFAOYSA-N -1 2 346.435 1.244 20 0 EDADLM O=C(c1ccc2[nH][nH]c(=O)c2c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000668564283 485901016 /nfs/dbraw/zinc/90/10/16/485901016.db2.gz IPCRDBZKXWMBBK-AWEZNQCLSA-N -1 2 344.415 1.595 20 0 EDADLM COCCn1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cn1 ZINC000268588134 518075768 /nfs/dbraw/zinc/07/57/68/518075768.db2.gz GOXCCILKNYHFRC-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)CC(=O)OC(C)(C)C ZINC000736802954 579022138 /nfs/dbraw/zinc/02/21/38/579022138.db2.gz ZTGAKNXUGZSVIH-UHFFFAOYSA-N -1 2 333.392 1.519 20 0 EDADLM O=C([O-])c1ccccc1S(=O)(=O)Nc1cnn(-c2ncccn2)c1 ZINC000740240940 579304414 /nfs/dbraw/zinc/30/44/14/579304414.db2.gz MUSDTMKSFBNDPP-UHFFFAOYSA-N -1 2 345.340 1.161 20 0 EDADLM Cc1nn(-c2ccccc2)c(=NC(=O)c2n[n-]c3ccccc3c2=O)[nH]1 ZINC000753337466 579877245 /nfs/dbraw/zinc/87/72/45/579877245.db2.gz KWJFYBCCYSDUEG-UHFFFAOYSA-N -1 2 346.350 1.899 20 0 EDADLM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000908581080 592537546 /nfs/dbraw/zinc/53/75/46/592537546.db2.gz AWZWJRLIFDWJQO-CYBMUJFWSA-N -1 2 328.372 1.413 20 0 EDADLM CSc1cc(O)ccc1NC(=O)c1coc(C[N@@H+]2CC[C@H](O)C2)n1 ZINC000907722172 592771022 /nfs/dbraw/zinc/77/10/22/592771022.db2.gz VHDDDNGVWHLHRD-NSHDSACASA-N -1 2 349.412 1.921 20 0 EDADLM CC[N@@H+]1CCCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)[C@@H](C)C1 ZINC000910271475 592816039 /nfs/dbraw/zinc/81/60/39/592816039.db2.gz QYKAXFBLLUJFKS-LBPRGKRZSA-N -1 2 330.388 1.586 20 0 EDADLM O=C(NCc1cc(=O)[nH]c(=S)[nH]1)[C@@H]1CCC[N@@H+](CC(F)F)C1 ZINC000911856049 593027627 /nfs/dbraw/zinc/02/76/27/593027627.db2.gz ZVCRUCIIFLUJLC-MRVPVSSYSA-N -1 2 332.376 1.064 20 0 EDADLM O=c1[nH]c([O-])nc2ncc(-c3nc(-c4ccnc5ccnn54)no3)cc12 ZINC000813343982 593528325 /nfs/dbraw/zinc/52/83/25/593528325.db2.gz DZZNFQPXAFHKRE-UHFFFAOYSA-N -1 2 348.282 1.196 20 0 EDADLM O=c1nc2ncc(-c3nc(-c4ccnc5ccnn54)no3)cc2c([O-])[nH]1 ZINC000813343982 593528327 /nfs/dbraw/zinc/52/83/27/593528327.db2.gz DZZNFQPXAFHKRE-UHFFFAOYSA-N -1 2 348.282 1.196 20 0 EDADLM COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000821702067 593919448 /nfs/dbraw/zinc/91/94/48/593919448.db2.gz GMSMQALAWQVDGZ-RYUDHWBXSA-N -1 2 333.392 1.363 20 0 EDADLM C[C@H](C(=O)[O-])[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccccc1 ZINC000826031642 594311203 /nfs/dbraw/zinc/31/12/03/594311203.db2.gz QTQHUYNXIASKDP-MKPLZMMCSA-N -1 2 335.385 1.121 20 0 EDADLM CCn1nc(C)c(NS(=O)(=O)c2csnc2C(=O)[O-])c1C ZINC000830440866 594396299 /nfs/dbraw/zinc/39/62/99/594396299.db2.gz JTJTXWXCJYRBGB-UHFFFAOYSA-N -1 2 330.391 1.475 20 0 EDADLM CN(Cc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1)C(=O)[O-] ZINC000830830572 594490978 /nfs/dbraw/zinc/49/09/78/594490978.db2.gz IERUXIFGTWMCFF-JTQLQIEISA-N -1 2 336.373 1.291 20 0 EDADLM CN(Cc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1)C(=O)[O-] ZINC000830830572 594490979 /nfs/dbraw/zinc/49/09/79/594490979.db2.gz IERUXIFGTWMCFF-JTQLQIEISA-N -1 2 336.373 1.291 20 0 EDADLM CO[C@H](C)c1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000831492880 594642232 /nfs/dbraw/zinc/64/22/32/594642232.db2.gz FRGDMRAUDOPAOJ-SNVBAGLBSA-N -1 2 339.373 1.476 20 0 EDADLM COCCc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n(C)n1 ZINC000831795966 594703615 /nfs/dbraw/zinc/70/36/15/594703615.db2.gz VMSGVLYZPJJEGZ-UHFFFAOYSA-N -1 2 345.402 1.170 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])nc1 ZINC000832419522 594749065 /nfs/dbraw/zinc/74/90/65/594749065.db2.gz JQYMGBFPQGWWIB-UHFFFAOYSA-N -1 2 326.305 1.728 20 0 EDADLM C[S@](=O)c1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000832736160 594772876 /nfs/dbraw/zinc/77/28/76/594772876.db2.gz QLHNHXUJKPTBMV-FQEVSTJZSA-N -1 2 346.411 1.380 20 0 EDADLM Cc1nc(C)c(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)s1 ZINC000832995646 594789759 /nfs/dbraw/zinc/78/97/59/594789759.db2.gz GCRIXADGYKUXFW-UHFFFAOYSA-N -1 2 328.371 1.965 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000833347022 594831573 /nfs/dbraw/zinc/83/15/73/594831573.db2.gz ZSDPNHGONGGALS-UHFFFAOYSA-N -1 2 328.375 1.249 20 0 EDADLM CCc1nc(NS(=O)(=O)c2c(C)noc2C)sc1C(=O)[O-] ZINC000833675391 594903454 /nfs/dbraw/zinc/90/34/54/594903454.db2.gz NVPNQUOGJHHLMH-UHFFFAOYSA-N -1 2 331.375 1.809 20 0 EDADLM C[N@H+](Cc1n[nH]c(=O)o1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000852188886 596079095 /nfs/dbraw/zinc/07/90/95/596079095.db2.gz PWBGLLNEUMUPMW-UHFFFAOYSA-N -1 2 326.397 1.854 20 0 EDADLM CO[C@H](C)c1nsc(NCCc2ccc(OCC(=O)[O-])cc2)n1 ZINC000571806119 306575043 /nfs/dbraw/zinc/57/50/43/306575043.db2.gz KANMTAFOMNFYSF-SNVBAGLBSA-N -1 2 337.401 1.785 20 0 EDADLM NC(=O)C1([NH+]2CCN(C(=O)c3cccc(O)c3)CC2)CCCCC1 ZINC000360642664 152135501 /nfs/dbraw/zinc/13/55/01/152135501.db2.gz QGIVCWXHEOOUBZ-UHFFFAOYSA-N -1 2 331.416 1.338 20 0 EDADLM CC[C@H](NC(=O)c1cnn[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123865275 287391976 /nfs/dbraw/zinc/39/19/76/287391976.db2.gz HVINXKHUTDKZOC-GOEBONIOSA-N -1 2 329.404 1.214 20 0 EDADLM Cc1noc(C)c1S(=O)(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000105549437 441259142 /nfs/dbraw/zinc/25/91/42/441259142.db2.gz CLWASSJRGNSQCV-PHIMTYICSA-N -1 2 331.438 1.069 20 0 EDADLM C[C@@H](C(=O)N1CCC[C@@H](c2nn[nH]n2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000129500450 442319850 /nfs/dbraw/zinc/31/98/50/442319850.db2.gz XSDQGBDUNOSXBO-XJKSGUPXSA-N -1 2 340.431 1.353 20 0 EDADLM C[C@@H](O)CNc1cc(NCCCNC(=O)c2cccc(O)c2)[nH+]cn1 ZINC000298152469 443705910 /nfs/dbraw/zinc/70/59/10/443705910.db2.gz DLVNYQVFZARGLL-GFCCVEGCSA-N -1 2 345.403 1.207 20 0 EDADLM COc1cc(NS(=O)(=O)c2c(C)noc2C)ccc1C(=O)[O-] ZINC000318798985 444320978 /nfs/dbraw/zinc/32/09/78/444320978.db2.gz MCVWTWFUWSZNSC-UHFFFAOYSA-N -1 2 326.330 1.799 20 0 EDADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1C ZINC000362433713 445379450 /nfs/dbraw/zinc/37/94/50/445379450.db2.gz HNFVBPWBPHDFDP-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM C[C@@H](Sc1ccc(NS(=O)(=O)c2ccnn2C)cc1)C(=O)[O-] ZINC000349104055 445507162 /nfs/dbraw/zinc/50/71/62/445507162.db2.gz DRQFEUYELKLVIB-SECBINFHSA-N -1 2 341.414 1.786 20 0 EDADLM C[C@H](Sc1ccc(NS(=O)(=O)c2cnn(C)c2)cc1)C(=O)[O-] ZINC000349104399 445507223 /nfs/dbraw/zinc/50/72/23/445507223.db2.gz FIURQKMRKPGTNW-VIFPVBQESA-N -1 2 341.414 1.786 20 0 EDADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2-c2nnc[nH]2)c1 ZINC000373086084 446017595 /nfs/dbraw/zinc/01/75/95/446017595.db2.gz AKGAMNLRNYIHHZ-UHFFFAOYSA-N -1 2 344.352 1.971 20 0 EDADLM COc1ncccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000362300829 446311880 /nfs/dbraw/zinc/31/18/80/446311880.db2.gz WXQDBUZKMCOTIJ-UHFFFAOYSA-N -1 2 326.305 1.728 20 0 EDADLM CC(C)c1nc(S(=O)(=O)NC[C@H](c2ccco2)[NH+](C)C)cn1C ZINC000416377684 447584648 /nfs/dbraw/zinc/58/46/48/447584648.db2.gz XVVULKRQCWONLS-GFCCVEGCSA-N -1 2 340.449 1.718 20 0 EDADLM O=C([O-])c1ccc(-n2cnnc2)c(NS(=O)(=O)c2ccoc2)c1 ZINC000551995709 447923049 /nfs/dbraw/zinc/92/30/49/447923049.db2.gz DIDNPOXOZONZNI-UHFFFAOYSA-N -1 2 334.313 1.359 20 0 EDADLM COCCCCS(=O)(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000577708396 448363327 /nfs/dbraw/zinc/36/33/27/448363327.db2.gz UYBWIICDSLKKIK-UONOGXRCSA-N -1 2 327.402 1.646 20 0 EDADLM Cc1n[nH]c(C)c1S(=O)(=O)Nc1c(C)ccc(F)c1C(=O)[O-] ZINC000548200774 449004790 /nfs/dbraw/zinc/00/47/90/449004790.db2.gz QMOOHDRLBUKWEM-UHFFFAOYSA-N -1 2 327.337 1.973 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2)c[nH]1 ZINC000737679557 578305869 /nfs/dbraw/zinc/30/58/69/578305869.db2.gz ATZBMQXZOWFDAC-UHFFFAOYSA-N -1 2 325.298 1.267 20 0 EDADLM COC(=O)c1ccncc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737712014 578555336 /nfs/dbraw/zinc/55/53/36/578555336.db2.gz IRBCCXLZYDSDST-UHFFFAOYSA-N -1 2 342.354 1.429 20 0 EDADLM COCCOC1CCN(c2[nH+]c3c(cc2-c2nn[nH]n2)CCC3)CC1 ZINC000737006486 579040009 /nfs/dbraw/zinc/04/00/09/579040009.db2.gz QPWWIMSTVBGXOZ-UHFFFAOYSA-N -1 2 344.419 1.382 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1C(=O)[O-] ZINC000769882127 580247730 /nfs/dbraw/zinc/24/77/30/580247730.db2.gz OBVSQJPEYAOOHN-UHFFFAOYSA-N -1 2 349.324 1.026 20 0 EDADLM CC(=O)c1ccc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000783874754 580607788 /nfs/dbraw/zinc/60/77/88/580607788.db2.gz YIVMCFPXHJOQBY-UHFFFAOYSA-N -1 2 340.332 1.866 20 0 EDADLM Cc1cc[nH+]c(N)c1CN1CCN(C(=O)c2ccccc2O)CC1 ZINC000893962907 591146164 /nfs/dbraw/zinc/14/61/64/591146164.db2.gz WCFRCVJOLDONDD-UHFFFAOYSA-N -1 2 326.400 1.636 20 0 EDADLM O=C(NC[C@H]1CCC[N@H+](Cc2nnc3n2CCCC3)C1)C(F)(F)F ZINC000810070580 593379298 /nfs/dbraw/zinc/37/92/98/593379298.db2.gz QMQMSVZNISUXMI-LLVKDONJSA-N -1 2 345.369 1.505 20 0 EDADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc3nonc32)ccc1O ZINC000765096104 593432307 /nfs/dbraw/zinc/43/23/07/593432307.db2.gz SLNDIOSBLGUIBJ-UHFFFAOYSA-N -1 2 335.297 1.427 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cc2[nH]c1=S ZINC000769525864 593444147 /nfs/dbraw/zinc/44/41/47/593444147.db2.gz KTJOJPMGARYZHD-MRVPVSSYSA-N -1 2 335.385 1.250 20 0 EDADLM O=C(Nn1c(=O)[n-][nH]c1=O)c1occc1CSc1ccccc1 ZINC000820282269 593805995 /nfs/dbraw/zinc/80/59/95/593805995.db2.gz MQGWRGDGTJCEOQ-UHFFFAOYSA-N -1 2 332.341 1.959 20 0 EDADLM COc1cccc(S(O)=CC(=O)[N-]S(=O)(=O)CC2CCC2)c1 ZINC000820380990 593814695 /nfs/dbraw/zinc/81/46/95/593814695.db2.gz GBHOVJOEZPUANW-NRFANRHFSA-N -1 2 345.442 1.049 20 0 EDADLM CN(C(=O)C1=NN(c2ccccc2)CC1=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000827948779 594308345 /nfs/dbraw/zinc/30/83/45/594308345.db2.gz HFNUSHWNRCNZAU-LBPRGKRZSA-N -1 2 330.344 1.402 20 0 EDADLM C[C@@]1(C(=O)[O-])CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000828020293 594323187 /nfs/dbraw/zinc/32/31/87/594323187.db2.gz MYQGONOQBWIKKN-MRXNPFEDSA-N -1 2 333.319 1.654 20 0 EDADLM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(=O)[O-] ZINC000828211257 594366168 /nfs/dbraw/zinc/36/61/68/594366168.db2.gz GSWNOTBCTDCUBV-GFCCVEGCSA-N -1 2 346.343 1.244 20 0 EDADLM O=C([O-])c1ccc2c(c1)[nH]nc2-c1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC000826461745 594484725 /nfs/dbraw/zinc/48/47/25/594484725.db2.gz FNDFUAFFYUJOFY-UHFFFAOYSA-N -1 2 346.310 1.985 20 0 EDADLM O=C([O-])c1ccc2c(c1)n[nH]c2-c1nc2ccc(-c3nn[nH]n3)cc2[nH]1 ZINC000826461745 594484727 /nfs/dbraw/zinc/48/47/27/594484727.db2.gz FNDFUAFFYUJOFY-UHFFFAOYSA-N -1 2 346.310 1.985 20 0 EDADLM CC[C@](NC(=O)C[C@H]1SC(=N)NC1=O)(C(=O)[O-])c1ccccc1 ZINC000828926460 594531508 /nfs/dbraw/zinc/53/15/08/594531508.db2.gz WTBKUJOZBGJVDJ-MEBBXXQBSA-N -1 2 335.385 1.049 20 0 EDADLM COC(=O)c1sccc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000831479538 594639421 /nfs/dbraw/zinc/63/94/21/594639421.db2.gz PRHJCMHOUANWBB-UHFFFAOYSA-N -1 2 344.370 1.372 20 0 EDADLM O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000832288202 594740498 /nfs/dbraw/zinc/74/04/98/594740498.db2.gz SGLHHCMBWIYWCA-ONGXEEELSA-N -1 2 332.316 1.405 20 0 EDADLM Cc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000832860419 594781704 /nfs/dbraw/zinc/78/17/04/594781704.db2.gz XMXPLPZUTURUOC-QMMMGPOBSA-N -1 2 346.343 1.070 20 0 EDADLM CC(C)(C)Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)[nH]n1 ZINC000833429917 594846836 /nfs/dbraw/zinc/84/68/36/594846836.db2.gz AQODMANELFYFRV-UHFFFAOYSA-N -1 2 338.389 1.892 20 0 EDADLM CCc1nc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)no1 ZINC000833675328 594903484 /nfs/dbraw/zinc/90/34/84/594903484.db2.gz MIZVXICLGIGKAJ-UHFFFAOYSA-N -1 2 331.737 1.784 20 0 EDADLM O=C([O-])N[C@@H]1CCc2ncc(NS(=O)(=O)c3cccnc3)cc2C1 ZINC000834194323 595049623 /nfs/dbraw/zinc/04/96/23/595049623.db2.gz QPZKZFQYKZLUTD-LLVKDONJSA-N -1 2 348.384 1.402 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)c(C)c1C ZINC000738069953 600299295 /nfs/dbraw/zinc/29/92/95/600299295.db2.gz SQTBHFVYFHKSAP-UHFFFAOYSA-N -1 2 339.373 1.394 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(O)c1 ZINC000442845345 539337082 /nfs/dbraw/zinc/33/70/82/539337082.db2.gz XSMWIZFSANUZEZ-UHFFFAOYSA-N -1 2 329.355 1.961 20 0 EDADLM Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000227864562 139022647 /nfs/dbraw/zinc/02/26/47/139022647.db2.gz VWBHYMJESPVCSA-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)[C@H]1CCO[C@H]1C ZINC000570401633 306540940 /nfs/dbraw/zinc/54/09/40/306540940.db2.gz WFHKIOMFTOHSTK-MADCSZMMSA-N -1 2 333.337 1.452 20 0 EDADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1C ZINC000266785874 139558845 /nfs/dbraw/zinc/55/88/45/139558845.db2.gz WAXLWBGXELXKLM-UHFFFAOYSA-N -1 2 339.373 1.724 20 0 EDADLM COc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000345681195 143120838 /nfs/dbraw/zinc/12/08/38/143120838.db2.gz JAIYNBZSFHWAFT-UHFFFAOYSA-N -1 2 326.330 1.238 20 0 EDADLM C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2cnn[nH]2)C[C@H](C)O1 ZINC000194189634 273000950 /nfs/dbraw/zinc/00/09/50/273000950.db2.gz LTDFFBDUBFJJMA-BETUJISGSA-N -1 2 329.404 1.344 20 0 EDADLM C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2cnn[nH]2)C[C@H](C)O1 ZINC000194189634 273000952 /nfs/dbraw/zinc/00/09/52/273000952.db2.gz LTDFFBDUBFJJMA-BETUJISGSA-N -1 2 329.404 1.344 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cs1 ZINC000285063982 274440481 /nfs/dbraw/zinc/44/04/81/274440481.db2.gz LHEGMKVSLNHSAS-UHFFFAOYSA-N -1 2 327.387 1.780 20 0 EDADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)Cc1cc(C)no1 ZINC000547870887 306114206 /nfs/dbraw/zinc/11/42/06/306114206.db2.gz WXEQBDFEUYLMIC-UHFFFAOYSA-N -1 2 326.330 1.632 20 0 EDADLM CCc1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000447001593 320138925 /nfs/dbraw/zinc/13/89/25/320138925.db2.gz UMSANIZHMLMOGU-UHFFFAOYSA-N -1 2 325.321 1.677 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000560416020 321027422 /nfs/dbraw/zinc/02/74/22/321027422.db2.gz RCCBUVCLBXXANR-WDSKDSINSA-N -1 2 345.261 1.900 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000314505568 444301042 /nfs/dbraw/zinc/30/10/42/444301042.db2.gz VCKKMXRGJMUVRA-UHFFFAOYSA-N -1 2 325.346 1.242 20 0 EDADLM Cn1nccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000336874308 444818835 /nfs/dbraw/zinc/81/88/35/444818835.db2.gz YHVLUPAHGPDSBM-UHFFFAOYSA-N -1 2 349.290 1.938 20 0 EDADLM Cc1oncc1NS(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000350303647 445808712 /nfs/dbraw/zinc/80/87/12/445808712.db2.gz WRFBUHXNYAOJEE-UHFFFAOYSA-N -1 2 330.293 1.386 20 0 EDADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cncnc2)cc1C(=O)[O-] ZINC000358887682 445833182 /nfs/dbraw/zinc/83/31/82/445833182.db2.gz PVEZLLCSAZVZLI-UHFFFAOYSA-N -1 2 327.749 1.937 20 0 EDADLM CC(C)S(=O)(=O)[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000495950200 447669148 /nfs/dbraw/zinc/66/91/48/447669148.db2.gz NNRSNYJTDWFIRC-SSDOTTSWSA-N -1 2 348.343 1.296 20 0 EDADLM COC(=O)c1ccc(N2CC[NH+](Cc3ncccc3O)CC2)s1 ZINC000575878090 447920234 /nfs/dbraw/zinc/92/02/34/447920234.db2.gz WALSOOPQFHNQRA-UHFFFAOYSA-N -1 2 333.413 1.958 20 0 EDADLM O=C(Cc1ccc(O)c(F)c1)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1 ZINC000614667416 449750413 /nfs/dbraw/zinc/75/04/13/449750413.db2.gz CAXHVGCRAPYOOP-CYBMUJFWSA-N -1 2 348.378 1.485 20 0 EDADLM COC(=O)c1oc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C ZINC000595317109 450030581 /nfs/dbraw/zinc/03/05/81/450030581.db2.gz CPHIMEIWXVSJNC-QWRGUYRKSA-N -1 2 342.417 1.278 20 0 EDADLM Cc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000653320441 451840717 /nfs/dbraw/zinc/84/07/17/451840717.db2.gz NEJJNBSGHZAMFS-VIFPVBQESA-N -1 2 346.343 1.214 20 0 EDADLM Cc1cc(C(=O)N2CCC(C)(C(=O)[O-])CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000647762063 452495088 /nfs/dbraw/zinc/49/50/88/452495088.db2.gz IGIFNAOXAMPCST-UHFFFAOYSA-N -1 2 346.343 1.071 20 0 EDADLM O=C([O-])[C@@H](CNC(=O)C1=NNC(=O)C1)Cc1ccc2ccccc2c1 ZINC000740303785 579328773 /nfs/dbraw/zinc/32/87/73/579328773.db2.gz KQGHVEGIGBHKKE-CQSZACIVSA-N -1 2 339.351 1.075 20 0 EDADLM Nc1c(-c2nn[nH]n2)cnn1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000737769968 578493452 /nfs/dbraw/zinc/49/34/52/578493452.db2.gz DRHXUKWQTVZXRZ-UHFFFAOYSA-N -1 2 348.326 1.521 20 0 EDADLM COc1ncccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751146516 579795293 /nfs/dbraw/zinc/79/52/93/579795293.db2.gz NHYTVRQYNSNRFO-UHFFFAOYSA-N -1 2 344.295 1.867 20 0 EDADLM O=C(NCCc1n[nH]c(=S)o1)c1nn(-c2ccccc2F)cc1[O-] ZINC000773097908 580326917 /nfs/dbraw/zinc/32/69/17/580326917.db2.gz RIBHOHVDVKBFTL-UHFFFAOYSA-N -1 2 349.347 1.361 20 0 EDADLM O=C(NCCC1N=NC(=S)O1)c1nn(-c2ccccc2F)cc1[O-] ZINC000773097908 580326918 /nfs/dbraw/zinc/32/69/18/580326918.db2.gz RIBHOHVDVKBFTL-UHFFFAOYSA-N -1 2 349.347 1.361 20 0 EDADLM Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC000776428289 580417056 /nfs/dbraw/zinc/41/70/56/580417056.db2.gz XCMAJQBTVLIGGA-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000776562349 580420776 /nfs/dbraw/zinc/42/07/76/580420776.db2.gz PMPBQUFPDOPMHB-KOLCDFICSA-N -1 2 339.335 1.800 20 0 EDADLM O=C(c1ccccc1O)N1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1 ZINC000799309329 581024898 /nfs/dbraw/zinc/02/48/98/581024898.db2.gz OJJYOHIRBZMVPP-KRWDZBQOSA-N -1 2 345.374 1.418 20 0 EDADLM C[C@@H](NC(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000736115886 592990009 /nfs/dbraw/zinc/99/00/09/592990009.db2.gz KUKDLQKATHXPDA-NEPJUHHUSA-N -1 2 345.407 1.097 20 0 EDADLM CO[C@H](C)c1noc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC000821675000 593906445 /nfs/dbraw/zinc/90/64/45/593906445.db2.gz AYDFDYMAILFSMN-SNVBAGLBSA-N -1 2 329.364 1.589 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)CC(C)(C)C ZINC000821259394 593999954 /nfs/dbraw/zinc/99/99/54/593999954.db2.gz IRYPPXMWYQAFLW-PRJMDXOYSA-N -1 2 335.344 1.107 20 0 EDADLM CN(C(=O)[O-])[C@H]1CCCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000827822656 594284305 /nfs/dbraw/zinc/28/43/05/594284305.db2.gz NSMSJPXBUUQKSW-ZDUSSCGKSA-N -1 2 344.371 1.792 20 0 EDADLM C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C/C(Cl)=C/Cl ZINC000825934237 594284707 /nfs/dbraw/zinc/28/47/07/594284707.db2.gz LDQICYQPCQIGES-ALCCZGGFSA-N -1 2 331.211 1.355 20 0 EDADLM C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)C/C(Cl)=C/Cl ZINC000825934237 594284708 /nfs/dbraw/zinc/28/47/08/594284708.db2.gz LDQICYQPCQIGES-ALCCZGGFSA-N -1 2 331.211 1.355 20 0 EDADLM CC(C)Oc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cn1 ZINC000827058537 594631983 /nfs/dbraw/zinc/63/19/83/594631983.db2.gz IYSCAGMMYOOWKE-UHFFFAOYSA-N -1 2 343.386 1.824 20 0 EDADLM COc1ccc(C(=O)NC(=O)C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000832141080 594729709 /nfs/dbraw/zinc/72/97/09/594729709.db2.gz BKNBJGFPERKKOD-CQSZACIVSA-N -1 2 334.416 1.435 20 0 EDADLM COc1ccc(O)c(NS(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000832424381 594749427 /nfs/dbraw/zinc/74/94/27/594749427.db2.gz BPVBHLPMHXJKNJ-UHFFFAOYSA-N -1 2 330.343 1.356 20 0 EDADLM COc1ncc(C)cc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000832653926 594766952 /nfs/dbraw/zinc/76/69/52/594766952.db2.gz GEOBIBRVBPXEDV-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM Cc1cc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000832865352 594781964 /nfs/dbraw/zinc/78/19/64/594781964.db2.gz ZVZSDKFMHDKVOM-UHFFFAOYSA-N -1 2 343.299 1.033 20 0 EDADLM Cn1ccc2ccc(NS(=O)(=O)c3cnn(CC(=O)[O-])c3)cc21 ZINC000833056328 594794798 /nfs/dbraw/zinc/79/47/98/594794798.db2.gz OHJOUZLUHVKCBK-UHFFFAOYSA-N -1 2 334.357 1.260 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000833346273 594831324 /nfs/dbraw/zinc/83/13/24/594831324.db2.gz MUDURMSIYXEEMK-UHFFFAOYSA-N -1 2 326.359 1.310 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])nn1C ZINC000833747387 594920749 /nfs/dbraw/zinc/92/07/49/594920749.db2.gz XBFIQAUJTIKHLH-UHFFFAOYSA-N -1 2 346.368 1.776 20 0 EDADLM O=C([O-])NC[C@@H](NC(=O)C1=NNC(=O)C1)c1ccc2ccccc2c1 ZINC000834209944 595054300 /nfs/dbraw/zinc/05/43/00/595054300.db2.gz LGYWERSKJCNSAG-CQSZACIVSA-N -1 2 340.339 1.141 20 0 EDADLM CCc1cccc(CC)c1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000319577370 600683338 /nfs/dbraw/zinc/68/33/38/600683338.db2.gz IASZUBYKPIJTNX-UHFFFAOYSA-N -1 2 337.401 1.893 20 0 EDADLM COc1ccc(OC)c(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC000389946576 604889544 /nfs/dbraw/zinc/88/95/44/604889544.db2.gz AFYFQACCNAAODS-UHFFFAOYSA-N -1 2 338.341 1.598 20 0 EDADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)[C@H]2CCO[C@@H]2C)c1OC ZINC000563226134 306324075 /nfs/dbraw/zinc/32/40/75/306324075.db2.gz MEKKKARPKWXYGT-PELKAZGASA-N -1 2 345.373 1.321 20 0 EDADLM Cc1nc(C)c(CC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)[nH]1 ZINC000124273968 138325363 /nfs/dbraw/zinc/32/53/63/138325363.db2.gz KTOIMRPBKMWGKY-XHDPSFHLSA-N -1 2 329.404 1.235 20 0 EDADLM COc1ccc(O)c(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000345699245 143123064 /nfs/dbraw/zinc/12/30/64/143123064.db2.gz VYWRQDXNWZBALC-UHFFFAOYSA-N -1 2 329.355 1.961 20 0 EDADLM CO[C@@H](C)c1nc(=NC(=O)N[C@@H](CCO)c2ccccc2)s[n-]1 ZINC000350667050 143548325 /nfs/dbraw/zinc/54/83/25/143548325.db2.gz NOYCFIGOYDVPII-JQWIXIFHSA-N -1 2 336.417 1.913 20 0 EDADLM CCO[C@@H]1C[C@@](NS(=O)(=O)CC(F)(F)F)(C(=O)[O-])C1(C)C ZINC000573157127 306613530 /nfs/dbraw/zinc/61/35/30/306613530.db2.gz BRTREBATIYXFPF-GMSGAONNSA-N -1 2 333.328 1.127 20 0 EDADLM CCOC(=O)c1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)o1 ZINC000124128943 287394556 /nfs/dbraw/zinc/39/45/56/287394556.db2.gz DOXLINPSUJFVQY-WDEREUQCSA-N -1 2 342.417 1.360 20 0 EDADLM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(F)c(F)c(O)c2F)C1=O ZINC000281072645 273432423 /nfs/dbraw/zinc/43/24/23/273432423.db2.gz BQSSVTQIBNXBPZ-CYBMUJFWSA-N -1 2 331.250 1.175 20 0 EDADLM O=C([O-])[C@]1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCSC1 ZINC000064610666 441386604 /nfs/dbraw/zinc/38/66/04/441386604.db2.gz GMJQFGYKCJZLKQ-ZDUSSCGKSA-N -1 2 326.330 1.837 20 0 EDADLM C[N@@H+]1CCO[C@H]2CN(Cc3nc4c5ccccc5oc4c(=O)[nH]3)C[C@@H]21 ZINC000154366714 442335399 /nfs/dbraw/zinc/33/53/99/442335399.db2.gz YKEFNOUQKTYWIH-JSGCOSHPSA-N -1 2 340.383 1.184 20 0 EDADLM Cc1c(O)ccc2c(C[N@H+]3CCOC[C@@H]3C[C@@H](C)O)cc(=O)oc12 ZINC000156984019 442538649 /nfs/dbraw/zinc/53/86/49/442538649.db2.gz KRLPHLKHXWBFSU-RISCZKNCSA-N -1 2 333.384 1.779 20 0 EDADLM O=C(NCCNC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1O ZINC000136319614 442659067 /nfs/dbraw/zinc/65/90/67/442659067.db2.gz JYRCFYRJFMJYCD-NSHDSACASA-N -1 2 328.372 1.081 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc(OC)c(C(=O)[O-])c2)nc1C ZINC000414190514 319318632 /nfs/dbraw/zinc/31/86/32/319318632.db2.gz RUWDOEMDDHXANF-UHFFFAOYSA-N -1 2 339.373 1.719 20 0 EDADLM Nc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000436828652 320024604 /nfs/dbraw/zinc/02/46/04/320024604.db2.gz ZGKLVNVPUUSGMT-UHFFFAOYSA-N -1 2 343.748 1.522 20 0 EDADLM O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc(O)cc1O ZINC000298178461 443713087 /nfs/dbraw/zinc/71/30/87/443713087.db2.gz XEUZWYQHLUGYIN-INIZCTEOSA-N -1 2 342.395 1.729 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)ccc1F ZINC000285204547 443893985 /nfs/dbraw/zinc/89/39/85/443893985.db2.gz WLUBUWSUUQWORK-UHFFFAOYSA-N -1 2 339.348 1.858 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cc(F)ccc2Cl)c1C(=O)[O-] ZINC000538742374 320746201 /nfs/dbraw/zinc/74/62/01/320746201.db2.gz KCXBRQXYIXFJKS-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](CC(=O)[O-])C1CCOCC1 ZINC000547937942 320850176 /nfs/dbraw/zinc/85/01/76/320850176.db2.gz RWWVYXDHLQRICI-VXNVDRBHSA-N -1 2 333.328 1.127 20 0 EDADLM COc1ncccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000317751826 444317222 /nfs/dbraw/zinc/31/72/22/444317222.db2.gz OLQQKPJSEHNGBW-UHFFFAOYSA-N -1 2 326.305 1.728 20 0 EDADLM C[C@H]1CC[N@H+](CCc2cncn2C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000297771155 444331875 /nfs/dbraw/zinc/33/18/75/444331875.db2.gz VOBXCPSFPBQAFS-GVXVVHGQSA-N -1 2 332.370 1.740 20 0 EDADLM O=C1N=NC(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)N1C[C@@H]1CCCO1 ZINC000329324176 444535556 /nfs/dbraw/zinc/53/55/56/444535556.db2.gz SHKHZXWPORGJJP-RWMBFGLXSA-N -1 2 340.449 1.118 20 0 EDADLM O=C([O-])c1csc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1 ZINC000342272605 444605594 /nfs/dbraw/zinc/60/55/94/444605594.db2.gz JNDCIQASMBNCBV-UHFFFAOYSA-N -1 2 337.329 1.709 20 0 EDADLM CC(C)(C)c1nc(=NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)s[nH]1 ZINC000348832808 445407023 /nfs/dbraw/zinc/40/70/23/445407023.db2.gz NACUGQITKWPRAK-UHFFFAOYSA-N -1 2 345.384 1.853 20 0 EDADLM O=C(CN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO)NOCc1ccccc1 ZINC000376503222 446538715 /nfs/dbraw/zinc/53/87/15/446538715.db2.gz AXBJLKYJLLEZNH-ROUUACIJSA-N -1 2 347.459 1.156 20 0 EDADLM CSCCO[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000496872482 447988657 /nfs/dbraw/zinc/98/86/57/447988657.db2.gz DYRMXMHGOOFVQV-ZETCQYMHSA-N -1 2 332.344 1.853 20 0 EDADLM C[C@H](NS(=O)(=O)c1cccs1)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000572609135 448422065 /nfs/dbraw/zinc/42/20/65/448422065.db2.gz CCBNFZKVJVVAMQ-VIFPVBQESA-N -1 2 342.446 1.190 20 0 EDADLM Cn1nncc1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])CCCC2 ZINC000629300437 451652837 /nfs/dbraw/zinc/65/28/37/451652837.db2.gz FRYNBRNPYHMUMY-UHFFFAOYSA-N -1 2 336.373 1.193 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000072760864 491006748 /nfs/dbraw/zinc/00/67/48/491006748.db2.gz LEVDCNWPSFVUDY-UHFFFAOYSA-N -1 2 325.346 1.694 20 0 EDADLM O=C([O-])NC1(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)CCCCC1 ZINC000740542219 579358556 /nfs/dbraw/zinc/35/85/56/579358556.db2.gz CKYXJEFNTDDUAN-UHFFFAOYSA-N -1 2 346.343 1.939 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Nc2cnoc2)c(C(=O)[O-])s1 ZINC000737680255 578314537 /nfs/dbraw/zinc/31/45/37/578314537.db2.gz GQWGPMZISHELJE-UHFFFAOYSA-N -1 2 332.315 1.022 20 0 EDADLM O=C([O-])Cn1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000739920216 578370714 /nfs/dbraw/zinc/37/07/14/578370714.db2.gz JZKBHAXWJQOFHW-UHFFFAOYSA-N -1 2 349.290 1.787 20 0 EDADLM CCCn1nccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000737050882 579043424 /nfs/dbraw/zinc/04/34/24/579043424.db2.gz OUYDLHVIGFGZAX-UHFFFAOYSA-N -1 2 327.337 1.931 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CCN(C(=O)[O-])C2)c(C)s1 ZINC000740090480 579288871 /nfs/dbraw/zinc/28/88/71/579288871.db2.gz FLJQQNGRUMPRFO-SECBINFHSA-N -1 2 332.403 1.170 20 0 EDADLM Cc1nc(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc(=O)[nH]1 ZINC000891847311 590652676 /nfs/dbraw/zinc/65/26/76/590652676.db2.gz XMGCERMPRRYDJE-UHFFFAOYSA-N -1 2 341.415 1.490 20 0 EDADLM O=C([O-])[C@]12CN(C(=O)c3cc(F)c(O)c(Cl)c3)C[C@H]1COCC2 ZINC000909564240 591673205 /nfs/dbraw/zinc/67/32/05/591673205.db2.gz BNXGFVHRGQTLCG-BJOHPYRUSA-N -1 2 343.738 1.748 20 0 EDADLM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3C3OCCO3)c[nH]c12 ZINC000900766590 592118154 /nfs/dbraw/zinc/11/81/54/592118154.db2.gz COVANPZJABTPAT-CQSZACIVSA-N -1 2 328.368 1.814 20 0 EDADLM O=C([O-])C(F)(F)CNS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000905998794 592710470 /nfs/dbraw/zinc/71/04/70/592710470.db2.gz DMIVYCMSRBDMRF-UHFFFAOYSA-N -1 2 335.115 1.387 20 0 EDADLM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000910588946 592878611 /nfs/dbraw/zinc/87/86/11/592878611.db2.gz ANIRHPXBEDDIIS-GZMMTYOYSA-N -1 2 331.727 1.937 20 0 EDADLM C[C@@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000736115384 592989609 /nfs/dbraw/zinc/98/96/09/592989609.db2.gz HSEIPYQNNJQDHO-VXGBXAGGSA-N -1 2 345.407 1.097 20 0 EDADLM CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824100291 593929436 /nfs/dbraw/zinc/92/94/36/593929436.db2.gz PXOLWSISNFEAFX-CQSZACIVSA-N -1 2 344.419 1.958 20 0 EDADLM O=C([O-])c1cccc(NS(=O)(=O)c2c[nH]nc2C(F)(F)F)c1 ZINC000821116688 593969717 /nfs/dbraw/zinc/96/97/17/593969717.db2.gz UROQSFRHSUDMOG-UHFFFAOYSA-N -1 2 335.263 1.928 20 0 EDADLM CCOC(=O)[C@@H](C)[N@@H+](C)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000821314255 594012974 /nfs/dbraw/zinc/01/29/74/594012974.db2.gz JNZNNGZPTGNRQL-LLVKDONJSA-N -1 2 328.376 1.503 20 0 EDADLM C[C@]1(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)CCN(C(=O)[O-])C1 ZINC000825677101 594213726 /nfs/dbraw/zinc/21/37/26/594213726.db2.gz BOCKHQYEHDGLIV-HNNXBMFYSA-N -1 2 332.316 1.358 20 0 EDADLM CCc1ccc(O)c(NS(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000830253597 594362892 /nfs/dbraw/zinc/36/28/92/594362892.db2.gz HQGPRWLYLWCDCU-UHFFFAOYSA-N -1 2 328.371 1.910 20 0 EDADLM CN(C(=O)[O-])c1ccc(NS(=O)(=O)c2cnc(Cl)n2C)cc1 ZINC000830518363 594411938 /nfs/dbraw/zinc/41/19/38/594411938.db2.gz AODOVHAXPVLEGT-UHFFFAOYSA-N -1 2 344.780 1.989 20 0 EDADLM Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)c3cc(=O)[nH]cn3)C2)c1 ZINC000826549973 594522773 /nfs/dbraw/zinc/52/27/73/594522773.db2.gz DKGBTAOQOFQFEF-OAHLLOKOSA-N -1 2 342.399 1.121 20 0 EDADLM CC[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O)C(=O)[O-] ZINC000828976619 594541174 /nfs/dbraw/zinc/54/11/74/594541174.db2.gz UNFXILJNEUMNNR-JTQLQIEISA-N -1 2 335.385 1.298 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)S1 ZINC000831241490 594590012 /nfs/dbraw/zinc/59/00/12/594590012.db2.gz WTSYDZYBWUDEIO-NSHDSACASA-N -1 2 348.384 1.218 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)S1 ZINC000831241490 594590014 /nfs/dbraw/zinc/59/00/14/594590014.db2.gz WTSYDZYBWUDEIO-NSHDSACASA-N -1 2 348.384 1.218 20 0 EDADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)c(C)nn1C ZINC000832204119 594735172 /nfs/dbraw/zinc/73/51/72/594735172.db2.gz FHJAEVVMSASLRX-UHFFFAOYSA-N -1 2 339.373 1.545 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(C3CC3)n[nH]2)ccc1F ZINC000833304142 594823843 /nfs/dbraw/zinc/82/38/43/594823843.db2.gz RZRMKPCQQRXFEO-UHFFFAOYSA-N -1 2 325.321 1.925 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(C3CC3)[nH]n2)ccc1F ZINC000833304142 594823845 /nfs/dbraw/zinc/82/38/45/594823845.db2.gz RZRMKPCQQRXFEO-UHFFFAOYSA-N -1 2 325.321 1.925 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000833348098 594831559 /nfs/dbraw/zinc/83/15/59/594831559.db2.gz NTURTRZEYWTOJR-MBTKJCJQSA-N -1 2 329.399 1.687 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2noc(CCNC(=O)[O-])n2)c(C)s1 ZINC000833900906 594961461 /nfs/dbraw/zinc/96/14/61/594961461.db2.gz GGDGVXVKHHEABG-UHFFFAOYSA-N -1 2 346.390 1.359 20 0 EDADLM C[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757140 595529006 /nfs/dbraw/zinc/52/90/06/595529006.db2.gz LYARMDNNLHUWBF-UTUOFQBUSA-N -1 2 348.365 1.861 20 0 EDADLM Cc1c(Cl)ccc2c1C[N@@H+](Cc1cc(=O)n3nc(N)[nH]c3n1)CC2 ZINC000879769398 597718936 /nfs/dbraw/zinc/71/89/36/597718936.db2.gz QGTDSOWNHHLFHL-UHFFFAOYSA-N -1 2 344.806 1.520 20 0 EDADLM O=C(NCC1C[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)C1)c1cc[nH]c1 ZINC001031691868 697540642 /nfs/dbraw/zinc/54/06/42/697540642.db2.gz BIEFCBAAGTUAFN-UHFFFAOYSA-N -1 2 327.388 1.250 20 0 EDADLM O=C(NC[C@H]1CC[N@@H+]1Cc1ccc2nonc2c1)c1ccccc1O ZINC001038073859 700635821 /nfs/dbraw/zinc/63/58/21/700635821.db2.gz MAMJWJHAAGIYHH-CYBMUJFWSA-N -1 2 338.367 1.933 20 0 EDADLM Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cnc[nH]c3=O)C(C)(C)C2)no1 ZINC000940826997 700922863 /nfs/dbraw/zinc/92/28/63/700922863.db2.gz VNLSASORACKCEB-AWEZNQCLSA-N -1 2 345.403 1.509 20 0 EDADLM C[C@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1ccccc1O ZINC000941837168 701902281 /nfs/dbraw/zinc/90/22/81/701902281.db2.gz QEABNLNYYXPBGP-GXTWGEPZSA-N -1 2 329.404 1.161 20 0 EDADLM Cn1ncc2c1[nH]cc(C(=O)NC[C@@H](O)CCc1ccccc1)c2=O ZINC000345760899 143130115 /nfs/dbraw/zinc/13/01/15/143130115.db2.gz FEPUYBFUJKLJPY-ZDUSSCGKSA-N -1 2 340.383 1.397 20 0 EDADLM O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)c(F)c(O)c1F ZINC000363823413 153067383 /nfs/dbraw/zinc/06/73/83/153067383.db2.gz KEDCASIZZKWKHM-RKDXNWHRSA-N -1 2 330.306 1.403 20 0 EDADLM Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000352453395 162189346 /nfs/dbraw/zinc/18/93/46/162189346.db2.gz NISNZOJQCMIQJG-UHFFFAOYSA-N -1 2 349.290 1.938 20 0 EDADLM CC[N@H+](CCO)CCNC(=O)c1cc(Br)c(F)cc1O ZINC000295095786 303172859 /nfs/dbraw/zinc/17/28/59/303172859.db2.gz ZWOCJKYGJZHLJH-UHFFFAOYSA-N -1 2 349.200 1.338 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000436995008 305171402 /nfs/dbraw/zinc/17/14/02/305171402.db2.gz GKLNYIMKJSLKBI-UHFFFAOYSA-N -1 2 333.325 1.768 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)c[nH]1 ZINC000523535742 305810856 /nfs/dbraw/zinc/81/08/56/305810856.db2.gz JASFWLUXZPEALF-UHFFFAOYSA-N -1 2 333.329 1.094 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cccc3cccnc32)c1C(=O)[O-] ZINC000540294485 306039318 /nfs/dbraw/zinc/03/93/18/306039318.db2.gz LOZZQTGYXCJGGC-UHFFFAOYSA-N -1 2 332.341 1.467 20 0 EDADLM O=C1NC(=O)N2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]12 ZINC000543710931 306067389 /nfs/dbraw/zinc/06/73/89/306067389.db2.gz HMYBJWAXTCAQJK-CYBMUJFWSA-N -1 2 345.790 1.466 20 0 EDADLM COc1cc(C(=O)[O-])cc(NS(=O)(=O)Cc2ccon2)c1OC ZINC000548259520 306122750 /nfs/dbraw/zinc/12/27/50/306122750.db2.gz CGQIJSGSLQRPMS-UHFFFAOYSA-N -1 2 342.329 1.332 20 0 EDADLM CC(C)Cn1cnc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000552132604 306175656 /nfs/dbraw/zinc/17/56/56/306175656.db2.gz HUGRXMSLJJPWDW-AWEZNQCLSA-N -1 2 337.449 1.702 20 0 EDADLM O=C(NCc1noc(-c2cccs2)n1)c1cccc2[nH]nnc21 ZINC000565694559 321197953 /nfs/dbraw/zinc/19/79/53/321197953.db2.gz ZTNMTBGGFXMTRH-UHFFFAOYSA-N -1 2 326.341 1.999 20 0 EDADLM COC(=O)CCCO[N-]C(=O)C1=NN(c2ccccc2F)CC1=O ZINC000290607809 444300686 /nfs/dbraw/zinc/30/06/86/444300686.db2.gz LABSSNFEELUGKL-UHFFFAOYSA-N -1 2 337.307 1.332 20 0 EDADLM COc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)c(C(=O)[O-])c1 ZINC000320110920 444328068 /nfs/dbraw/zinc/32/80/68/444328068.db2.gz ZJUOPZWGTKBBPL-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM CCc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000337792827 444410646 /nfs/dbraw/zinc/41/06/46/444410646.db2.gz BSUZBAOOMITEOL-UHFFFAOYSA-N -1 2 326.330 1.745 20 0 EDADLM C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459335085 447636190 /nfs/dbraw/zinc/63/61/90/447636190.db2.gz BGWMCGDGZSIKHD-GFCCVEGCSA-N -1 2 335.429 1.714 20 0 EDADLM CCNC(=O)C1C[NH+](Cc2ccc(OC)c(O)c2Br)C1 ZINC000459600348 447717667 /nfs/dbraw/zinc/71/76/67/447717667.db2.gz AATUQYPELHNGJA-UHFFFAOYSA-N -1 2 343.221 1.731 20 0 EDADLM Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCSC[C@@H]3C(=O)[O-])c2cc1C ZINC000582133956 449020478 /nfs/dbraw/zinc/02/04/78/449020478.db2.gz XQKAHLFQDHCIKS-XJKSGUPXSA-N -1 2 349.456 1.516 20 0 EDADLM O=C(c1ccc2n[nH]nc2c1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619889935 450358412 /nfs/dbraw/zinc/35/84/12/450358412.db2.gz PZZNBCNOUJVUEA-UHFFFAOYSA-N -1 2 329.404 1.142 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)CCOC(C)C ZINC000270121101 536540814 /nfs/dbraw/zinc/54/08/14/536540814.db2.gz MFFNFFWQXUHPDR-UHFFFAOYSA-N -1 2 335.353 1.699 20 0 EDADLM CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000736415094 578986599 /nfs/dbraw/zinc/98/65/99/578986599.db2.gz HOAHZNJXTDCRTO-NSHDSACASA-N -1 2 334.332 1.651 20 0 EDADLM O=C([O-])Cn1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000739920422 579268235 /nfs/dbraw/zinc/26/82/35/579268235.db2.gz NXLLHGIEZXHMOK-UHFFFAOYSA-N -1 2 333.728 1.561 20 0 EDADLM Cc1ccc2c([n-]cc(C(=O)NC3CCC(NC(=O)[O-])CC3)c2=O)[nH+]1 ZINC000740156373 579294908 /nfs/dbraw/zinc/29/49/08/579294908.db2.gz VTHUNHWVPIQKHT-UHFFFAOYSA-N -1 2 344.371 1.952 20 0 EDADLM Cc1ccc2c(n1)[nH]cc(C(=O)NC1CCC(NC(=O)[O-])CC1)c2=O ZINC000740156373 579294909 /nfs/dbraw/zinc/29/49/09/579294909.db2.gz VTHUNHWVPIQKHT-UHFFFAOYSA-N -1 2 344.371 1.952 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)c(C)c1F ZINC000790004602 580759248 /nfs/dbraw/zinc/75/92/48/580759248.db2.gz DBURVIVVJKYBDH-UHFFFAOYSA-N -1 2 343.336 1.375 20 0 EDADLM COc1cc(Cl)c(S(=O)(=O)Nc2cncnc2)cc1C(=O)[O-] ZINC000790406605 580768955 /nfs/dbraw/zinc/76/89/55/580768955.db2.gz XEXFCWGCUXUITQ-UHFFFAOYSA-N -1 2 343.748 1.638 20 0 EDADLM C[C@H](C(=O)NCCCc1n[nH]c(=O)[nH]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823694375 593836119 /nfs/dbraw/zinc/83/61/19/593836119.db2.gz QOWWDPZPQOJIIP-GWCFXTLKSA-N -1 2 347.375 1.204 20 0 EDADLM CCOCC[N@H+]1CCN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)C[C@H]1C ZINC000821377822 594032041 /nfs/dbraw/zinc/03/20/41/594032041.db2.gz FGSGFKXHPQZIPU-CQSZACIVSA-N -1 2 345.451 1.426 20 0 EDADLM CN(CC(C)(C)CNC(=O)[O-])C(=O)C1=NN(c2ccccc2)CC1=O ZINC000828150049 594352036 /nfs/dbraw/zinc/35/20/36/594352036.db2.gz CBQHNVMLFKUOEA-UHFFFAOYSA-N -1 2 346.387 1.944 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)=N2)cc1 ZINC000832138191 594729494 /nfs/dbraw/zinc/72/94/94/594729494.db2.gz AWXDMKXCKMDHSP-CQSZACIVSA-N -1 2 347.371 1.816 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)nc1 ZINC000832413224 594748540 /nfs/dbraw/zinc/74/85/40/594748540.db2.gz KQHWCPHSWVLPOX-UHFFFAOYSA-N -1 2 326.305 1.728 20 0 EDADLM O=C([O-])Nc1cc2c(cc1NS(=O)(=O)c1cccnc1)OCO2 ZINC000832828339 594779582 /nfs/dbraw/zinc/77/95/82/594779582.db2.gz FTCMZEOYAIUKTN-UHFFFAOYSA-N -1 2 337.313 1.701 20 0 EDADLM Cc1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)c(C(=O)[O-])[nH]1 ZINC000832896325 594783667 /nfs/dbraw/zinc/78/36/67/594783667.db2.gz RPJHQDBZSOGLFV-UHFFFAOYSA-N -1 2 343.299 1.331 20 0 EDADLM Cc1[nH]nc(S(=O)(=O)Nc2ncc(C(C)C)s2)c1C(=O)[O-] ZINC000832990484 594789429 /nfs/dbraw/zinc/78/94/29/594789429.db2.gz BFNKQUWLYFBAQO-UHFFFAOYSA-N -1 2 330.391 1.797 20 0 EDADLM O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000833108260 594798723 /nfs/dbraw/zinc/79/87/23/594798723.db2.gz DJRFLCGHHRODKU-QGZVFWFLSA-N -1 2 340.379 1.746 20 0 EDADLM O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000833108260 594798724 /nfs/dbraw/zinc/79/87/24/594798724.db2.gz DJRFLCGHHRODKU-QGZVFWFLSA-N -1 2 340.379 1.746 20 0 EDADLM O=C([O-])C[C@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000833209976 594805122 /nfs/dbraw/zinc/80/51/22/594805122.db2.gz BMHBKCPQMGJRJL-GFCCVEGCSA-N -1 2 333.319 1.796 20 0 EDADLM C[C@H]1C[C@H](C(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])CCO1 ZINC000833588008 594881029 /nfs/dbraw/zinc/88/10/29/594881029.db2.gz BMFVAVRZZYRGLF-JGVFFNPUSA-N -1 2 333.387 1.066 20 0 EDADLM O=C([O-])Nc1cnc(C(=O)Nc2nc(-c3cccs3)n[nH]2)cn1 ZINC000834277979 595077600 /nfs/dbraw/zinc/07/76/00/595077600.db2.gz CYYHIISFIKQAJK-UHFFFAOYSA-N -1 2 331.317 1.665 20 0 EDADLM Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)nn1 ZINC000866526538 596242337 /nfs/dbraw/zinc/24/23/37/596242337.db2.gz LGZKCRSALXCKGA-UHFFFAOYSA-N -1 2 347.444 1.649 20 0 EDADLM Cc1nnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)c2cnc[nH]c2=O)o1 ZINC001004879856 707553276 /nfs/dbraw/zinc/55/32/76/707553276.db2.gz BNVHTXSJHMWWOL-GWCFXTLKSA-N -1 2 346.391 1.047 20 0 EDADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000357418112 151025831 /nfs/dbraw/zinc/02/58/31/151025831.db2.gz ZBEGLLWTGQGNBA-UHFFFAOYSA-N -1 2 345.327 1.956 20 0 EDADLM CC[C@H](NC(=O)c1cnn[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123864857 287391828 /nfs/dbraw/zinc/39/18/28/287391828.db2.gz HVINXKHUTDKZOC-HOCLYGCPSA-N -1 2 329.404 1.214 20 0 EDADLM Cc1cccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1O ZINC000121849485 441793656 /nfs/dbraw/zinc/79/36/56/441793656.db2.gz JKPJMTGNIONKKZ-QGZVFWFLSA-N -1 2 336.457 1.638 20 0 EDADLM C[N@@H+]1CCO[C@@H]2CN(Cc3nc4c5ccccc5oc4c(=O)[nH]3)C[C@@H]21 ZINC000154366827 442335413 /nfs/dbraw/zinc/33/54/13/442335413.db2.gz YKEFNOUQKTYWIH-GXTWGEPZSA-N -1 2 340.383 1.184 20 0 EDADLM COc1cc(NS(=O)(=O)c2cnn(C(C)C)c2)ccc1C(=O)[O-] ZINC000278613674 443378898 /nfs/dbraw/zinc/37/88/98/443378898.db2.gz GTUXWDZMLBQZHT-UHFFFAOYSA-N -1 2 339.373 1.972 20 0 EDADLM O=c1cc(C[NH+]2CCN(c3cnccn3)CC2)nc(-c2ccccc2)[nH]1 ZINC000459305218 320345773 /nfs/dbraw/zinc/34/57/73/320345773.db2.gz OWLKGPPQKWPAPH-UHFFFAOYSA-N -1 2 348.410 1.961 20 0 EDADLM CCOc1cc(C[N@H+]2CC[C@H](NC(=O)NC)C2)cc(Cl)c1O ZINC000459518239 320348388 /nfs/dbraw/zinc/34/83/88/320348388.db2.gz FMHRWIXUIYLBNF-NSHDSACASA-N -1 2 327.812 1.948 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3C[C@H](C)C[C@@H](C(=O)[O-])C3)c[nH]c2n1 ZINC000581726405 322214204 /nfs/dbraw/zinc/21/42/04/322214204.db2.gz LTMSHZBMAYIVQM-MWLCHTKSSA-N -1 2 329.356 1.827 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1c[nH]nc1C ZINC000360231953 445645164 /nfs/dbraw/zinc/64/51/64/445645164.db2.gz WPYMPLJCFNRUAY-UHFFFAOYSA-N -1 2 343.336 1.755 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(C(F)F)c2)cc1F ZINC000361779065 445936591 /nfs/dbraw/zinc/93/65/91/445936591.db2.gz AGAJYXDATMTLIQ-UHFFFAOYSA-N -1 2 335.263 1.916 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nn1C(C)C ZINC000421172591 447050946 /nfs/dbraw/zinc/05/09/46/447050946.db2.gz KCABTXPOGZNRKX-UHFFFAOYSA-N -1 2 326.378 1.610 20 0 EDADLM Cc1onc(N)c1S(=O)(=O)Nc1ccccc1CCCC(=O)[O-] ZINC000568000762 448798152 /nfs/dbraw/zinc/79/81/52/448798152.db2.gz BUMXQMDZFHEQJI-UHFFFAOYSA-N -1 2 339.373 1.773 20 0 EDADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000590695900 449249531 /nfs/dbraw/zinc/24/95/31/449249531.db2.gz BJZLVSBOQAASHP-UHFFFAOYSA-N -1 2 349.368 1.862 20 0 EDADLM COc1cc(C(=O)[O-])ccc1-n1[nH]c(-c2c(C)nn(C)c2C)cc1=O ZINC000634611873 451420322 /nfs/dbraw/zinc/42/03/22/451420322.db2.gz HKECWDXMUMBTPN-UHFFFAOYSA-N -1 2 342.355 1.885 20 0 EDADLM Cn1nncc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1C(=O)[O-] ZINC000650391980 452733074 /nfs/dbraw/zinc/73/30/74/452733074.db2.gz KAAXWNCHXGEPOG-UHFFFAOYSA-N -1 2 338.389 1.612 20 0 EDADLM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000125822883 491010537 /nfs/dbraw/zinc/01/05/37/491010537.db2.gz CCUSAKCPBWVILX-SKDRFNHKSA-N -1 2 336.816 1.477 20 0 EDADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ncc(C(N)=O)s1 ZINC000738276830 578345581 /nfs/dbraw/zinc/34/55/81/578345581.db2.gz ALIFPBLIQYMCQM-UHFFFAOYSA-N -1 2 341.370 1.049 20 0 EDADLM CCc1cccc(CC)c1S(=O)(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000737267651 579063372 /nfs/dbraw/zinc/06/33/72/579063372.db2.gz SUIQUPBTYVLKIH-UHFFFAOYSA-N -1 2 337.401 1.893 20 0 EDADLM O=C([O-])c1ccncc1NS(=O)(=O)c1cccc2c1COC2=O ZINC000740249230 579305433 /nfs/dbraw/zinc/30/54/33/579305433.db2.gz RVELINLQENACAW-UHFFFAOYSA-N -1 2 334.309 1.251 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)c(O)c1 ZINC000777607582 580446318 /nfs/dbraw/zinc/44/63/18/580446318.db2.gz IJPFIRZGFQCBNF-UHFFFAOYSA-N -1 2 337.357 1.498 20 0 EDADLM O=C1NC(=O)N2CC[N@H+](Cc3ccccc3OCC(F)F)C[C@H]12 ZINC000894423329 591308075 /nfs/dbraw/zinc/30/80/75/591308075.db2.gz OMWBBFBUOVUNDH-LLVKDONJSA-N -1 2 325.315 1.067 20 0 EDADLM C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000820716041 593870286 /nfs/dbraw/zinc/87/02/86/593870286.db2.gz GRSWVTAPHKNWDX-GXFFZTMASA-N -1 2 326.364 1.115 20 0 EDADLM O=C(NCc1cn2ccccc2[nH+]1)c1cc(-c2nn[nH]n2)cs1 ZINC000823266574 594178197 /nfs/dbraw/zinc/17/81/97/594178197.db2.gz ZEZBKOPNRMNXKD-UHFFFAOYSA-N -1 2 325.357 1.506 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])s1 ZINC000830335620 594377638 /nfs/dbraw/zinc/37/76/38/594377638.db2.gz SSXJZBKBTSGHRX-UHFFFAOYSA-N -1 2 327.387 1.908 20 0 EDADLM COCCc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)n(C)n1 ZINC000831796001 594703681 /nfs/dbraw/zinc/70/36/81/594703681.db2.gz WSORLAVOBWQCNK-UHFFFAOYSA-N -1 2 345.402 1.170 20 0 EDADLM CSc1ccncc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000832789601 594777088 /nfs/dbraw/zinc/77/70/88/594777088.db2.gz AEHGMAXLFCEMAN-UHFFFAOYSA-N -1 2 327.387 1.641 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000833345966 594831085 /nfs/dbraw/zinc/83/10/85/594831085.db2.gz IGKMROQCXHVGKK-UHFFFAOYSA-N -1 2 336.354 1.585 20 0 EDADLM CCc1nc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)no1 ZINC000833675005 594903590 /nfs/dbraw/zinc/90/35/90/594903590.db2.gz LCJAUQRCIXTQMB-UHFFFAOYSA-N -1 2 333.272 1.409 20 0 EDADLM CO[C@H](C[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])C1CC1 ZINC000848683830 595428552 /nfs/dbraw/zinc/42/85/52/595428552.db2.gz YAMRELLPYXOMJE-NBEYISGCSA-N -1 2 333.328 1.125 20 0 EDADLM CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)N=[S@@](C)(=O)CC ZINC000866783668 596342812 /nfs/dbraw/zinc/34/28/12/596342812.db2.gz QSFKORAPNOVQDR-BLVKFPJESA-N -1 2 325.500 1.203 20 0 EDADLM C[C@H]1C[N@H+](CCNC(=O)NCc2ccc(O)c(Cl)c2)[C@@H](C)CO1 ZINC000876399481 597193316 /nfs/dbraw/zinc/19/33/16/597193316.db2.gz PGIKATGDQYFYJN-RYUDHWBXSA-N -1 2 341.839 1.954 20 0 EDADLM COC(=O)c1ccc(OC)c(C[N@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)c1 ZINC000878549911 597630947 /nfs/dbraw/zinc/63/09/47/597630947.db2.gz MTKSGZAXGGZQMO-LBPRGKRZSA-N -1 2 347.371 1.950 20 0 EDADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738914492 600094916 /nfs/dbraw/zinc/09/49/16/600094916.db2.gz FRIOVPADNPJJJM-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)c1c(O)cc(F)cc1F ZINC000739684846 602576043 /nfs/dbraw/zinc/57/60/43/602576043.db2.gz RWRTVIHRJLAWOX-UHFFFAOYSA-N -1 2 343.330 1.038 20 0 EDADLM O=C([O-])CCOc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000037238938 604538636 /nfs/dbraw/zinc/53/86/36/604538636.db2.gz PCGVOLRMWOQCRV-UHFFFAOYSA-N -1 2 329.359 1.192 20 0 EDADLM C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000563192875 306322360 /nfs/dbraw/zinc/32/23/60/306322360.db2.gz OWHAWONQMKUWRH-CYBMUJFWSA-N -1 2 329.404 1.592 20 0 EDADLM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000367121239 154015291 /nfs/dbraw/zinc/01/52/91/154015291.db2.gz MVORODUCXHLTBE-IKGSTKEQSA-N -1 2 345.447 1.005 20 0 EDADLM C[C@H](c1nncn1C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000287584170 288270848 /nfs/dbraw/zinc/27/08/48/288270848.db2.gz CLNURVDGDLTNBZ-GFCCVEGCSA-N -1 2 329.404 1.932 20 0 EDADLM CC(C)(C)CC[C@@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(=O)[O-] ZINC000449144982 305307839 /nfs/dbraw/zinc/30/78/39/305307839.db2.gz KBNMJNQVBKAPBV-SNVBAGLBSA-N -1 2 348.359 1.445 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc(C(F)F)cc2)c1C(=O)[O-] ZINC000566699901 321232735 /nfs/dbraw/zinc/23/27/35/321232735.db2.gz NJVKJXUXXRVREP-UHFFFAOYSA-N -1 2 331.300 1.857 20 0 EDADLM Cn1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)c(-c2cccnc2)n1 ZINC000329554763 444627305 /nfs/dbraw/zinc/62/73/05/444627305.db2.gz GUXKFQBSZZKILT-ZDUSSCGKSA-N -1 2 326.360 1.058 20 0 EDADLM O=c1[nH]nc(C2CC[NH+](Cc3nc(CC(F)(F)F)no3)CC2)[nH]1 ZINC000329613835 444649465 /nfs/dbraw/zinc/64/94/65/444649465.db2.gz CWBQQAAVTXRDRB-UHFFFAOYSA-N -1 2 332.286 1.378 20 0 EDADLM COc1cccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1O ZINC000351758102 445310495 /nfs/dbraw/zinc/31/04/95/445310495.db2.gz WDCOCIIXHLONMH-UHFFFAOYSA-N -1 2 329.355 1.961 20 0 EDADLM Cc1cc(CC(=O)N[C@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)n[nH]1 ZINC000368501559 446901946 /nfs/dbraw/zinc/90/19/46/446901946.db2.gz IPZLNTTUKRMVBN-ZDUSSCGKSA-N -1 2 349.757 1.472 20 0 EDADLM Cc1cc(CC(=O)N[C@H](c2nn[nH]n2)c2ccc(Cl)c(F)c2)[nH]n1 ZINC000368501559 446901953 /nfs/dbraw/zinc/90/19/53/446901953.db2.gz IPZLNTTUKRMVBN-ZDUSSCGKSA-N -1 2 349.757 1.472 20 0 EDADLM O=C(OC[C@H]1CCCC[N@H+]1CC1N=NC(=O)S1)N1CCCC1 ZINC000368602046 446973283 /nfs/dbraw/zinc/97/32/83/446973283.db2.gz ISRPAMITHVXBOX-LLVKDONJSA-N -1 2 326.422 1.831 20 0 EDADLM CN(C)C(=O)Nc1ccc(CNC(=O)c2cccc3[nH]nnc32)cc1 ZINC000527278002 448200670 /nfs/dbraw/zinc/20/06/70/448200670.db2.gz OMIVOCPHAGAWFF-UHFFFAOYSA-N -1 2 338.371 1.981 20 0 EDADLM COc1ccc(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)c(O)c1 ZINC000619890136 450358381 /nfs/dbraw/zinc/35/83/81/450358381.db2.gz VKZNUAQIPZWDTI-UHFFFAOYSA-N -1 2 334.416 1.585 20 0 EDADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000629296585 451648773 /nfs/dbraw/zinc/64/87/73/451648773.db2.gz OOJCQLBJWFTYBD-JTQLQIEISA-N -1 2 329.374 1.703 20 0 EDADLM O=C(C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1)Nc1ccc2c(c1)OCO2 ZINC000649536597 452132695 /nfs/dbraw/zinc/13/26/95/452132695.db2.gz DFMTWNOQCTZWEZ-JTQLQIEISA-N -1 2 346.343 1.322 20 0 EDADLM CO[C@H](CS(=O)(=O)[N-]c1cc(C(C)=O)ccc1O)[C@@H]1CCOC1 ZINC000656625604 453335144 /nfs/dbraw/zinc/33/51/44/453335144.db2.gz BOPIHBJHDZBMMW-IUODEOHRSA-N -1 2 343.401 1.388 20 0 EDADLM O=C([O-])C1CCN(c2cc(N3CCC(C(=O)[O-])CC3)[nH+]cn2)CC1 ZINC000662877772 453584455 /nfs/dbraw/zinc/58/44/55/453584455.db2.gz HNEZNZNNXIGOIY-UHFFFAOYSA-N -1 2 334.376 1.079 20 0 EDADLM COc1ccc([C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C(F)(F)F)cc1 ZINC000679647666 487452444 /nfs/dbraw/zinc/45/24/44/487452444.db2.gz MRWFIWXSKKRJDH-VIFPVBQESA-N -1 2 344.249 1.325 20 0 EDADLM COCCCn1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC000737766280 579128525 /nfs/dbraw/zinc/12/85/25/579128525.db2.gz XTMBDKGGIKWCOY-UHFFFAOYSA-N -1 2 345.402 1.480 20 0 EDADLM CCN(Cc1cccc(NS(=O)(=O)c2ccnn2C)c1)C(=O)[O-] ZINC000739447647 579206799 /nfs/dbraw/zinc/20/67/99/579206799.db2.gz QLYFECQGZKAUKU-UHFFFAOYSA-N -1 2 338.389 1.721 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1Cl ZINC000788131648 579281215 /nfs/dbraw/zinc/28/12/15/579281215.db2.gz MZUPNWCZDQYTHZ-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777613565 580446473 /nfs/dbraw/zinc/44/64/73/580446473.db2.gz AMKKWPQBKUMLJD-UHFFFAOYSA-N -1 2 339.348 1.931 20 0 EDADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc3nonc32)ccc1F ZINC000765038568 580133686 /nfs/dbraw/zinc/13/36/86/580133686.db2.gz WSXYWUKZAPRSNQ-UHFFFAOYSA-N -1 2 337.288 1.861 20 0 EDADLM Cn1cc(C[NH+]2CCN(C(=O)c3ccccc3O)CC2)c(C2CC2)n1 ZINC000891706451 591194250 /nfs/dbraw/zinc/19/42/50/591194250.db2.gz PXYQJAUCXLQGJH-UHFFFAOYSA-N -1 2 340.427 1.961 20 0 EDADLM CC(=O)c1cc(F)c(O)c([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000901953013 591876577 /nfs/dbraw/zinc/87/65/77/591876577.db2.gz QHFGVYDVRYAPIK-UHFFFAOYSA-N -1 2 331.365 1.902 20 0 EDADLM C[C@@H](C(=O)NCCCc1n[nH]c(=O)[nH]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823694381 593836127 /nfs/dbraw/zinc/83/61/27/593836127.db2.gz QOWWDPZPQOJIIP-ZWNOBZJWSA-N -1 2 347.375 1.204 20 0 EDADLM c1cc(-c2nn[nH]n2)oc1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000823788281 593858984 /nfs/dbraw/zinc/85/89/84/593858984.db2.gz XEFDFWHMHHGEMW-UHFFFAOYSA-N -1 2 340.387 1.586 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)CC(C)(C)C ZINC000821259388 594000134 /nfs/dbraw/zinc/00/01/34/594000134.db2.gz IRYPPXMWYQAFLW-BWZBUEFSSA-N -1 2 335.344 1.107 20 0 EDADLM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2c(O)cc(F)cc2F)CCO1 ZINC000825328999 594168165 /nfs/dbraw/zinc/16/81/65/594168165.db2.gz XYYJKKKJVWYLHF-WRWORJQWSA-N -1 2 330.287 1.168 20 0 EDADLM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1 ZINC000825418836 594182320 /nfs/dbraw/zinc/18/23/20/594182320.db2.gz YBKFDYHKPKAUNH-GMSGAONNSA-N -1 2 336.373 1.510 20 0 EDADLM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 ZINC000825418836 594182322 /nfs/dbraw/zinc/18/23/22/594182322.db2.gz YBKFDYHKPKAUNH-GMSGAONNSA-N -1 2 336.373 1.510 20 0 EDADLM C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](C2CC2)CC1=O ZINC000825975853 594295523 /nfs/dbraw/zinc/29/55/23/594295523.db2.gz ADKOFOWXRDYODF-HNNXBMFYSA-N -1 2 326.404 1.515 20 0 EDADLM C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](C2CC2)CC1=O ZINC000825975853 594295526 /nfs/dbraw/zinc/29/55/26/594295526.db2.gz ADKOFOWXRDYODF-HNNXBMFYSA-N -1 2 326.404 1.515 20 0 EDADLM CCc1ccc(O)c(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000830253532 594362730 /nfs/dbraw/zinc/36/27/30/594362730.db2.gz DPSHKHVTVMRQRS-UHFFFAOYSA-N -1 2 325.346 1.037 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N(C)[C@@H]3CCN(C(=O)[O-])C3)c[nH]c2n1 ZINC000830438715 594396176 /nfs/dbraw/zinc/39/61/76/594396176.db2.gz KQVUWMJZMBCKFC-SNVBAGLBSA-N -1 2 330.344 1.468 20 0 EDADLM CCCCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)[nH]n1 ZINC000829430769 594612094 /nfs/dbraw/zinc/61/20/94/594612094.db2.gz OBQNOPOSDDYAEI-UHFFFAOYSA-N -1 2 326.378 1.590 20 0 EDADLM O=C([O-])N1CCC[C@H](NC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000831592701 594686116 /nfs/dbraw/zinc/68/61/16/594686116.db2.gz SRCMCCJKXWMKHO-NSHDSACASA-N -1 2 330.344 1.450 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N(C)C[C@@H](C)C(=O)[O-])=N2)cc1 ZINC000832138743 594729520 /nfs/dbraw/zinc/72/95/20/594729520.db2.gz ONZTVZZSMHCZMI-SNVBAGLBSA-N -1 2 333.344 1.379 20 0 EDADLM O=C([O-])N[C@@H]1CCCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000832365250 594745205 /nfs/dbraw/zinc/74/52/05/594745205.db2.gz ICKMNLNYSVZSBE-LLVKDONJSA-N -1 2 330.344 1.450 20 0 EDADLM COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)nc1 ZINC000832419671 594749033 /nfs/dbraw/zinc/74/90/33/594749033.db2.gz XNEAFAUDIDUBRY-RUDMXATFSA-N -1 2 334.353 1.989 20 0 EDADLM Cc1cc(NC(=O)c2nc(COc3cccc(C(=O)[O-])c3)no2)no1 ZINC000832896501 594783577 /nfs/dbraw/zinc/78/35/77/594783577.db2.gz AEFJGSGGRFCHAY-UHFFFAOYSA-N -1 2 344.283 1.896 20 0 EDADLM O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000833186263 594803365 /nfs/dbraw/zinc/80/33/65/594803365.db2.gz KYUJPYGPPDSHAM-QWRGUYRKSA-N -1 2 331.328 1.859 20 0 EDADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000833293995 594821443 /nfs/dbraw/zinc/82/14/43/594821443.db2.gz KKONEFVJZAZKIX-UHFFFAOYSA-N -1 2 339.348 1.931 20 0 EDADLM O=C([O-])c1ccnc(NS(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000833335211 594829211 /nfs/dbraw/zinc/82/92/11/594829211.db2.gz RGENOEMRTLVFCH-UHFFFAOYSA-N -1 2 334.309 1.251 20 0 EDADLM O=C([O-])[C@@]1(F)CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000833357182 594833250 /nfs/dbraw/zinc/83/32/50/594833250.db2.gz QNTKSBOJYDHEIB-OAHLLOKOSA-N -1 2 337.282 1.356 20 0 EDADLM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ncn1 ZINC000833730127 594918052 /nfs/dbraw/zinc/91/80/52/594918052.db2.gz WVMREQLSRLAJBY-UHFFFAOYSA-N -1 2 343.748 1.638 20 0 EDADLM O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000834134736 595024374 /nfs/dbraw/zinc/02/43/74/595024374.db2.gz KQXXTWRNODYVLX-QMMMGPOBSA-N -1 2 342.258 1.260 20 0 EDADLM Cc1nc(C)c(CC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(=O)[nH]1 ZINC000124274184 138325494 /nfs/dbraw/zinc/32/54/94/138325494.db2.gz KTOIMRPBKMWGKY-IAQYHMDHSA-N -1 2 329.404 1.235 20 0 EDADLM CCC[N@H+](Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495271453 255277313 /nfs/dbraw/zinc/27/73/13/255277313.db2.gz RYQOHYZIUMMPOA-LBPRGKRZSA-N -1 2 339.440 1.330 20 0 EDADLM O=C1NC(=O)N2CC[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)C[C@H]12 ZINC000355330370 150219753 /nfs/dbraw/zinc/21/97/53/150219753.db2.gz WVAJMTJGZCUPDA-CQSZACIVSA-N -1 2 329.331 1.822 20 0 EDADLM C[C@@H]1C[N@@H+](CCCNC(=O)c2cn[nH]c2-c2ccccn2)C[C@H](C)O1 ZINC000352147150 162012396 /nfs/dbraw/zinc/01/23/96/162012396.db2.gz MHTHCOMNTNXCML-OKILXGFUSA-N -1 2 343.431 1.701 20 0 EDADLM COc1nn(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000352309436 162109782 /nfs/dbraw/zinc/10/97/82/162109782.db2.gz WNVYAACIXWHXQA-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)oc1C ZINC000296130041 303297537 /nfs/dbraw/zinc/29/75/37/303297537.db2.gz SERQDRWOUIWRCB-GFCCVEGCSA-N -1 2 341.389 1.773 20 0 EDADLM CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000436878324 320027348 /nfs/dbraw/zinc/02/73/48/320027348.db2.gz FQKSIRJDBYGCEQ-UHFFFAOYSA-N -1 2 339.325 1.995 20 0 EDADLM COc1cc(C)c(NS(=O)(=O)c2cn(C)cn2)c(C(=O)[O-])c1 ZINC000547612006 320836265 /nfs/dbraw/zinc/83/62/65/320836265.db2.gz OFYKYJXDWJHVTN-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM COCCn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC000299624972 444098173 /nfs/dbraw/zinc/09/81/73/444098173.db2.gz RHKXHYRALBXDGZ-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM COc1ncccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000318964831 444321980 /nfs/dbraw/zinc/32/19/80/444321980.db2.gz FYYTVMGLEKPRKV-UHFFFAOYSA-N -1 2 326.305 1.728 20 0 EDADLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1c(C)cnn1C ZINC000349080374 445498045 /nfs/dbraw/zinc/49/80/45/445498045.db2.gz HJSXTBDNCJNDAI-UHFFFAOYSA-N -1 2 341.414 1.949 20 0 EDADLM O=C([O-])[C@@H](Cc1cccc(Cl)c1)NS(=O)(=O)CC(F)(F)F ZINC000583670367 326113868 /nfs/dbraw/zinc/11/38/68/326113868.db2.gz PFPFLWJBDSPENS-SECBINFHSA-N -1 2 345.726 1.817 20 0 EDADLM COc1cc(OC)cc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1 ZINC000443459138 447053540 /nfs/dbraw/zinc/05/35/40/447053540.db2.gz YHYCUODZOGRUHP-UHFFFAOYSA-N -1 2 338.389 1.361 20 0 EDADLM CN1CCO[C@@H]2C[N@H+](Cc3cc(=O)[nH]c(-c4ccccc4)n3)C[C@H]21 ZINC000459357013 447645860 /nfs/dbraw/zinc/64/58/60/447645860.db2.gz ZFFUYYGGOMCDLN-HZPDHXFCSA-N -1 2 326.400 1.364 20 0 EDADLM O=C([O-])CC[C@@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000569222754 448983381 /nfs/dbraw/zinc/98/33/81/448983381.db2.gz NQPDCYWMIMPNNW-VIFPVBQESA-N -1 2 346.343 1.153 20 0 EDADLM Cc1nc(CNS(=O)(=O)[C@H](C)C(F)(F)F)sc1C(=O)[O-] ZINC000548528819 449055174 /nfs/dbraw/zinc/05/51/74/449055174.db2.gz OPIUDMKYABUOQR-RXMQYKEDSA-N -1 2 332.325 1.520 20 0 EDADLM CCC[C@@H](NC(=O)c1cccc(Br)c1[O-])c1nn[nH]n1 ZINC000678315653 487287927 /nfs/dbraw/zinc/28/79/27/487287927.db2.gz JOXXBCKBQBPQGM-SECBINFHSA-N -1 2 340.181 1.939 20 0 EDADLM COc1cc(Cl)ccc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000678716762 486056700 /nfs/dbraw/zinc/05/67/00/486056700.db2.gz MSVRKPDBUGVANH-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM O=C([O-])N1CCCC[C@@H]1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000740470094 579351003 /nfs/dbraw/zinc/35/10/03/579351003.db2.gz PEYZSXRVSZQGTC-LLVKDONJSA-N -1 2 332.316 1.501 20 0 EDADLM O=C([O-])NCc1nc(C(=O)Nn2cnc3ccccc3c2=O)cs1 ZINC000740685422 579377883 /nfs/dbraw/zinc/37/78/83/579377883.db2.gz JRYPCJULWAQPSW-UHFFFAOYSA-N -1 2 345.340 1.005 20 0 EDADLM Cn1nncc1S(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000790005440 580759313 /nfs/dbraw/zinc/75/93/13/580759313.db2.gz SCFBTRRHNGXWLJ-UHFFFAOYSA-N -1 2 332.341 1.467 20 0 EDADLM CO[C@@H](CS(=O)(=O)[N-]c1cc(C(C)=O)cc(F)c1O)C1CC1 ZINC000901953070 591876639 /nfs/dbraw/zinc/87/66/39/591876639.db2.gz SHSZCAZQDVDXKS-ZDUSSCGKSA-N -1 2 331.365 1.901 20 0 EDADLM O=C(NCCC1N=NC(=S)O1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000907461590 592667276 /nfs/dbraw/zinc/66/72/76/592667276.db2.gz NAKVSBOYRMTUQE-UHFFFAOYSA-N -1 2 331.401 1.935 20 0 EDADLM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000909860966 592708867 /nfs/dbraw/zinc/70/88/67/592708867.db2.gz GJECLRCVAYZGBL-SGTLLEGYSA-N -1 2 340.383 1.165 20 0 EDADLM C[C@H](NC(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000736115383 592989973 /nfs/dbraw/zinc/98/99/73/592989973.db2.gz HSEIPYQNNJQDHO-RYUDHWBXSA-N -1 2 345.407 1.097 20 0 EDADLM O=C([O-])c1cccc(CNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)c1 ZINC000821551487 593862857 /nfs/dbraw/zinc/86/28/57/593862857.db2.gz NJYCAMMEGPPTLP-UHFFFAOYSA-N -1 2 339.307 1.658 20 0 EDADLM C[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C[C@@H]1C(=O)[O-] ZINC000828412493 594412896 /nfs/dbraw/zinc/41/28/96/594412896.db2.gz NFSLRXHHJZDDAQ-SKDRFNHKSA-N -1 2 333.319 1.510 20 0 EDADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1c(C)nn(C)c1C ZINC000831939839 594713137 /nfs/dbraw/zinc/71/31/37/594713137.db2.gz UXECQMZYZLSQNL-UHFFFAOYSA-N -1 2 345.402 1.606 20 0 EDADLM Cc1ccc(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1C(=O)[O-] ZINC000832947961 594786846 /nfs/dbraw/zinc/78/68/46/594786846.db2.gz JCBBOBNBJGSEQD-UHFFFAOYSA-N -1 2 340.295 1.695 20 0 EDADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccn(CC(F)F)n1 ZINC000833318008 594825787 /nfs/dbraw/zinc/82/57/87/594825787.db2.gz COPFEJFIPOPVCO-UHFFFAOYSA-N -1 2 349.290 1.786 20 0 EDADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ncn1 ZINC000833728898 594917635 /nfs/dbraw/zinc/91/76/35/594917635.db2.gz CVWZXCPFKQNOPD-UHFFFAOYSA-N -1 2 343.748 1.638 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2c[nH]nc2C)c(OC)c1C(=O)[O-] ZINC000833734537 594918412 /nfs/dbraw/zinc/91/84/12/594918412.db2.gz LPJPOEMWFWDFLR-UHFFFAOYSA-N -1 2 341.345 1.234 20 0 EDADLM Cn1nccc1S(=O)(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC000833759759 594923525 /nfs/dbraw/zinc/92/35/25/594923525.db2.gz WLHPGLYUKDUPOO-UHFFFAOYSA-N -1 2 341.414 1.788 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@@]2(C(=O)[O-])CC2(C)C)c(C)s1 ZINC000863954107 596727890 /nfs/dbraw/zinc/72/78/90/596727890.db2.gz MWXATAGFULNZFU-CYBMUJFWSA-N -1 2 331.415 1.671 20 0 EDADLM Cn1nccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000739062302 600127328 /nfs/dbraw/zinc/12/73/28/600127328.db2.gz BKIPRAXDIMTILK-UHFFFAOYSA-N -1 2 349.290 1.938 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)cn1 ZINC000037045549 600675163 /nfs/dbraw/zinc/67/51/63/600675163.db2.gz FLSPXJPCSLYGLP-UHFFFAOYSA-N -1 2 333.728 1.561 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)s1 ZINC000386620619 601348003 /nfs/dbraw/zinc/34/80/03/601348003.db2.gz DYGYSBFSWXZQNX-UHFFFAOYSA-N -1 2 327.387 1.908 20 0 EDADLM CCn1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccccc3O)[C@@H](C)C2)nn1 ZINC000941837116 701902214 /nfs/dbraw/zinc/90/22/14/701902214.db2.gz PKNIZUJSAYGKBA-BBRMVZONSA-N -1 2 343.431 1.644 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NCCc1cccc(C(=O)[O-])n1 ZINC000281930680 539920300 /nfs/dbraw/zinc/92/03/00/539920300.db2.gz QZNLSCCDFZXZJX-ZETCQYMHSA-N -1 2 326.296 1.193 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])cc2OC)cn1 ZINC000339415211 142041664 /nfs/dbraw/zinc/04/16/64/142041664.db2.gz FGCJAACDUSYICI-UHFFFAOYSA-N -1 2 343.336 1.550 20 0 EDADLM COc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)cc1OC(F)F ZINC000355328978 150220601 /nfs/dbraw/zinc/22/06/01/150220601.db2.gz UTCXOXUUPGFHOZ-SNVBAGLBSA-N -1 2 341.314 1.033 20 0 EDADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000357494959 151047669 /nfs/dbraw/zinc/04/76/69/151047669.db2.gz NGZMNDJHZQRALW-UHFFFAOYSA-N -1 2 349.290 1.786 20 0 EDADLM CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)CC1 ZINC000408007179 158239539 /nfs/dbraw/zinc/23/95/39/158239539.db2.gz BRSCNLWJGIKKBD-ROKHWSDSSA-N -1 2 336.436 1.992 20 0 EDADLM COc1nn(C)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000352317685 162113636 /nfs/dbraw/zinc/11/36/36/162113636.db2.gz MKUCTLRDGQFFFW-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM Cc1cc(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)ccc1C(=O)[O-] ZINC000534163928 306004248 /nfs/dbraw/zinc/00/42/48/306004248.db2.gz NBSZPVREALIMLB-UHFFFAOYSA-N -1 2 340.295 1.695 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])cn1 ZINC000547872196 306114276 /nfs/dbraw/zinc/11/42/76/306114276.db2.gz SGIJMTXBWPNODU-UHFFFAOYSA-N -1 2 327.337 1.850 20 0 EDADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C(N)=O ZINC000066587264 441548021 /nfs/dbraw/zinc/54/80/21/441548021.db2.gz UNFQJNFQTXPHMU-UHFFFAOYSA-N -1 2 340.382 1.654 20 0 EDADLM CCCNC(=O)C1(NC(=O)c2cccc3[nH]nnc32)CCCCC1 ZINC000183541716 442939339 /nfs/dbraw/zinc/93/93/39/442939339.db2.gz PKSYKFUWVOKIEW-UHFFFAOYSA-N -1 2 329.404 1.917 20 0 EDADLM O=C([O-])c1ccc2cccnc2c1NS(=O)(=O)Cc1ccon1 ZINC000547876092 320846695 /nfs/dbraw/zinc/84/66/95/320846695.db2.gz JZMNQXQFMWEMPG-UHFFFAOYSA-N -1 2 333.325 1.863 20 0 EDADLM Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2cc(F)cc3n[nH]nc32)CCO1 ZINC000332695190 444527835 /nfs/dbraw/zinc/52/78/35/444527835.db2.gz XKQMCVMBYIPSLE-QMTHXVAHSA-N -1 2 344.350 1.481 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c[nH]1 ZINC000343825239 444612742 /nfs/dbraw/zinc/61/27/42/444612742.db2.gz BRVKNRZOJALZOM-UHFFFAOYSA-N -1 2 340.313 1.006 20 0 EDADLM Cc1ccc2[nH]cc(C(=O)NCc3c[nH+]c(N(C)C)n3C)c(=O)c2c1 ZINC000341811750 445012566 /nfs/dbraw/zinc/01/25/66/445012566.db2.gz XPJKIUIOYMPIGO-UHFFFAOYSA-N -1 2 339.399 1.566 20 0 EDADLM COc1c(F)cc(F)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000348451201 445295698 /nfs/dbraw/zinc/29/56/98/445295698.db2.gz DEHBZMJFBRFGDG-UHFFFAOYSA-N -1 2 346.311 1.811 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(OC)c2)cn1 ZINC000432777252 446502864 /nfs/dbraw/zinc/50/28/64/446502864.db2.gz AAWMNMZKTAPTIR-UHFFFAOYSA-N -1 2 325.346 1.411 20 0 EDADLM C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371078099 446614165 /nfs/dbraw/zinc/61/41/65/446614165.db2.gz ZCCVQKGNOKZUAN-JWXGAITFSA-N -1 2 346.475 1.963 20 0 EDADLM COc1cccc(COCCNC(=O)c2cccc3[nH]nnc32)c1 ZINC000526124399 448104518 /nfs/dbraw/zinc/10/45/18/448104518.db2.gz YQGGPZGFOUGCBD-UHFFFAOYSA-N -1 2 326.356 1.913 20 0 EDADLM COc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)CC(F)(F)F)c1 ZINC000577570025 448325717 /nfs/dbraw/zinc/32/57/17/448325717.db2.gz SHOROOWNOSBDIC-JTQLQIEISA-N -1 2 341.307 1.693 20 0 EDADLM Cc1n[nH]c(SCC(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)n1 ZINC000578003157 448434875 /nfs/dbraw/zinc/43/48/75/448434875.db2.gz FRZUZDWBIZWYLZ-UHFFFAOYSA-N -1 2 330.373 1.940 20 0 EDADLM Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(F)c1F ZINC000624990022 451097984 /nfs/dbraw/zinc/09/79/84/451097984.db2.gz CKVXETWHQQBALT-LLVKDONJSA-N -1 2 348.415 1.520 20 0 EDADLM O=C([O-])CC1(NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCC1 ZINC000663121490 453693336 /nfs/dbraw/zinc/69/33/36/453693336.db2.gz ZYUUQKUSDYMDIL-UHFFFAOYSA-N -1 2 333.319 1.844 20 0 EDADLM CCOc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)c(C)c1 ZINC000737210648 579056783 /nfs/dbraw/zinc/05/67/83/579056783.db2.gz OOOCAGFZXZXXNF-UHFFFAOYSA-N -1 2 339.373 1.476 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@H]2CCN(C(=O)[O-])C2)c(C)s1 ZINC000740090619 579288845 /nfs/dbraw/zinc/28/88/45/579288845.db2.gz FLJQQNGRUMPRFO-VIFPVBQESA-N -1 2 332.403 1.170 20 0 EDADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000740145395 579293746 /nfs/dbraw/zinc/29/37/46/579293746.db2.gz QZRSZMNOSFHBAQ-UHFFFAOYSA-N -1 2 337.332 1.992 20 0 EDADLM O=C([O-])c1ccncc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000740248946 579305401 /nfs/dbraw/zinc/30/54/01/579305401.db2.gz MUAWWRKFGKIVIJ-UHFFFAOYSA-N -1 2 344.352 1.766 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2[nH]c1=S ZINC000769513996 580238926 /nfs/dbraw/zinc/23/89/26/580238926.db2.gz QMONNYZPKWNSEV-GFCCVEGCSA-N -1 2 347.396 1.394 20 0 EDADLM O=c1[nH]c([O-])nc2ncc(-c3nc(-c4cccn5ccnc45)no3)cc12 ZINC000771417760 580286444 /nfs/dbraw/zinc/28/64/44/580286444.db2.gz DODGWKVDCSCIIW-UHFFFAOYSA-N -1 2 347.294 1.801 20 0 EDADLM O=c1nc2ncc(-c3nc(-c4cccn5ccnc45)no3)cc2c([O-])[nH]1 ZINC000771417760 580286445 /nfs/dbraw/zinc/28/64/45/580286445.db2.gz DODGWKVDCSCIIW-UHFFFAOYSA-N -1 2 347.294 1.801 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776605368 580423910 /nfs/dbraw/zinc/42/39/10/580423910.db2.gz VLSXYZGXFUCYJP-SZEHBUNVSA-N -1 2 341.307 1.043 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000776613183 580424167 /nfs/dbraw/zinc/42/41/67/580424167.db2.gz JCSNIDFSJIIDSL-MWLCHTKSSA-N -1 2 339.335 1.943 20 0 EDADLM C[N@H+](Cc1cccc(O)c1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821614493 593881103 /nfs/dbraw/zinc/88/11/03/593881103.db2.gz IKCSZENQKFJHOP-OAHLLOKOSA-N -1 2 338.371 1.231 20 0 EDADLM CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824099891 593929098 /nfs/dbraw/zinc/92/90/98/593929098.db2.gz LOBIZFUOHICSLW-CYBMUJFWSA-N -1 2 330.392 1.568 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2c[nH]nc2C(F)(F)F)cc1 ZINC000821115734 593969689 /nfs/dbraw/zinc/96/96/89/593969689.db2.gz AUUIYUMFQWLPPW-UHFFFAOYSA-N -1 2 335.263 1.928 20 0 EDADLM CC(C)OCC[NH+]1CCN(Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824315755 593983393 /nfs/dbraw/zinc/98/33/93/593983393.db2.gz XIZSJYOMWSWWRQ-UHFFFAOYSA-N -1 2 336.465 1.471 20 0 EDADLM CC(C)OCCN1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824315755 593983395 /nfs/dbraw/zinc/98/33/95/593983395.db2.gz XIZSJYOMWSWWRQ-UHFFFAOYSA-N -1 2 336.465 1.471 20 0 EDADLM Cc1[nH+]ccn1CCCNc1c2ccccc2nnc1-c1nn[nH]n1 ZINC000822477422 594054308 /nfs/dbraw/zinc/05/43/08/594054308.db2.gz LOPLTYWQTPQLQY-UHFFFAOYSA-N -1 2 335.375 1.817 20 0 EDADLM C[C@H](CN(C)C(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000824824807 594080426 /nfs/dbraw/zinc/08/04/26/594080426.db2.gz OFMLJDDXWVVMPT-MRVPVSSYSA-N -1 2 338.389 1.601 20 0 EDADLM C[N@H+](CCc1nccs1)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000825950535 594289316 /nfs/dbraw/zinc/28/93/16/594289316.db2.gz QORUIAKPWRAHEH-UHFFFAOYSA-N -1 2 343.416 1.436 20 0 EDADLM CCCCC[C@H](NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(=O)[O-] ZINC000829327125 594598450 /nfs/dbraw/zinc/59/84/50/594598450.db2.gz VLGGJXJGPLBJLM-LBPRGKRZSA-N -1 2 333.344 1.793 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Oc2cccc(CC(=O)[O-])c2)c[nH]1 ZINC000831353052 594613346 /nfs/dbraw/zinc/61/33/46/594613346.db2.gz AHZSOVSHUWKKJE-UHFFFAOYSA-N -1 2 339.325 1.196 20 0 EDADLM O=C([O-])N1CCC[C@@H](CNC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000831641017 594689318 /nfs/dbraw/zinc/68/93/18/594689318.db2.gz QJXUJNNJSRRUMI-LBPRGKRZSA-N -1 2 344.371 1.698 20 0 EDADLM O=C([O-])N1CC[C@](F)(C(=O)Nc2nc(-c3cccs3)n[nH]2)C1 ZINC000831913896 594710983 /nfs/dbraw/zinc/71/09/83/594710983.db2.gz BMKVEKCTGRKDQH-GFCCVEGCSA-N -1 2 325.325 1.564 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2ccc(N(C)C)cn2)ccc1C(=O)[O-] ZINC000832904255 594784295 /nfs/dbraw/zinc/78/42/95/594784295.db2.gz CDGJDICNCAOQSO-UHFFFAOYSA-N -1 2 335.385 1.955 20 0 EDADLM Cc1ncc(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)s1 ZINC000833009276 594790904 /nfs/dbraw/zinc/79/09/04/594790904.db2.gz GQYNXKHVGSXSOB-UHFFFAOYSA-N -1 2 338.370 1.827 20 0 EDADLM COc1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)ncn1 ZINC000833729256 594917310 /nfs/dbraw/zinc/91/73/10/594917310.db2.gz HOQVGUKCGQEGIK-UHFFFAOYSA-N -1 2 343.748 1.638 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n(C)n1 ZINC000738463736 600054257 /nfs/dbraw/zinc/05/42/57/600054257.db2.gz SULXIIJXSPUHQQ-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2c(C)nn(CC)c2C)cc1C(=O)[O-] ZINC000271070511 540048146 /nfs/dbraw/zinc/04/81/46/540048146.db2.gz OBNMPDUQPBAQOA-UHFFFAOYSA-N -1 2 340.405 1.840 20 0 EDADLM CC(C)c1ccc(N2CC(=O)C(C(=O)NC[C@](C)(O)C(=O)[O-])=N2)cc1 ZINC000262444988 139279595 /nfs/dbraw/zinc/27/95/95/139279595.db2.gz DCCXNNJLDNTDTD-KRWDZBQOSA-N -1 2 347.371 1.267 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000271410515 140292162 /nfs/dbraw/zinc/29/21/62/140292162.db2.gz YHKMJQFEPTUUDF-UHFFFAOYSA-N -1 2 339.373 1.490 20 0 EDADLM COC(=O)c1c(C)cccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000357546095 151063374 /nfs/dbraw/zinc/06/33/74/151063374.db2.gz FKIQXPXSFHKMME-UHFFFAOYSA-N -1 2 338.341 1.609 20 0 EDADLM CCOc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000360513814 152076454 /nfs/dbraw/zinc/07/64/54/152076454.db2.gz YYXIUIQXCNRCOW-UHFFFAOYSA-N -1 2 338.341 1.685 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c1 ZINC000436993507 305171379 /nfs/dbraw/zinc/17/13/79/305171379.db2.gz CVGQBELXGRACFY-UHFFFAOYSA-N -1 2 348.336 1.386 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000171147810 442319509 /nfs/dbraw/zinc/31/95/09/442319509.db2.gz LLKOPQBDTLWGDW-UHFFFAOYSA-N -1 2 345.327 1.814 20 0 EDADLM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(F)cc(Cl)c2O)C1=O ZINC000278674732 443398908 /nfs/dbraw/zinc/39/89/08/443398908.db2.gz INDNNZBWEFJRTA-CYBMUJFWSA-N -1 2 329.715 1.550 20 0 EDADLM CCc1nc(CNS(=O)(=O)[C@H](C)C(F)(F)F)ccc1C(=O)[O-] ZINC000548214370 320869384 /nfs/dbraw/zinc/86/93/84/320869384.db2.gz UZLAJBBNSLQPSV-SSDOTTSWSA-N -1 2 340.323 1.712 20 0 EDADLM CCn1nc(C)c(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C ZINC000357135015 445446757 /nfs/dbraw/zinc/44/67/57/445446757.db2.gz XCKAMHVTWCFTSB-UHFFFAOYSA-N -1 2 337.401 1.948 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)cn1 ZINC000361995793 446136796 /nfs/dbraw/zinc/13/67/96/446136796.db2.gz JSHZISTVIFYYQS-UHFFFAOYSA-N -1 2 339.329 1.131 20 0 EDADLM CC[C@@H](CS(=O)(=O)Nc1cc(F)c(C(=O)[O-])cc1OC)OC ZINC000421144377 447038919 /nfs/dbraw/zinc/03/89/19/447038919.db2.gz BGFUTSKAOWEMKP-QMMMGPOBSA-N -1 2 335.353 1.699 20 0 EDADLM Cc1ccc(-c2[nH][nH]c(=NC(=O)N=c3nc4n([n-]3)CCCC4)c2C)o1 ZINC000459605854 447719625 /nfs/dbraw/zinc/71/96/25/447719625.db2.gz BATZVYJNZOOHES-UHFFFAOYSA-N -1 2 341.375 1.702 20 0 EDADLM CC(C)(C)OC(=O)NC(C(=O)[N-]OCC(C)(C)O)C(F)(F)F ZINC000496773467 447899833 /nfs/dbraw/zinc/89/98/33/447899833.db2.gz OOLXCSGTWQZCQI-SSDOTTSWSA-N -1 2 330.303 1.261 20 0 EDADLM CN(C)C(=O)c1cccc(S(=O)(=O)Nc2c[nH]nc2C2CC2)c1 ZINC000518564025 448693729 /nfs/dbraw/zinc/69/37/29/448693729.db2.gz DLTCRRSYTMGKFK-UHFFFAOYSA-N -1 2 334.401 1.790 20 0 EDADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)c1 ZINC000606827003 449525532 /nfs/dbraw/zinc/52/55/32/449525532.db2.gz MTMZOEUOTOXYLP-UHFFFAOYSA-N -1 2 344.352 1.766 20 0 EDADLM CCOC(=O)c1ncc([N-]S(=O)(=O)c2cn(C(C)C)cn2)[nH]1 ZINC000618906978 450335259 /nfs/dbraw/zinc/33/52/59/450335259.db2.gz FOFWWMWOLRFJNY-UHFFFAOYSA-N -1 2 327.366 1.165 20 0 EDADLM C[N@@H+]1CCO[C@H](CS(=O)(=O)NCc2nc3ccccc3s2)C1 ZINC000631660344 450700085 /nfs/dbraw/zinc/70/00/85/450700085.db2.gz OXXJNLLIKISNDK-NSHDSACASA-N -1 2 341.458 1.046 20 0 EDADLM O=C(Cc1ccc(O)c(Cl)c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000633251314 450758138 /nfs/dbraw/zinc/75/81/38/450758138.db2.gz UZPBURYKEWCRHQ-AWEZNQCLSA-N -1 2 338.835 1.911 20 0 EDADLM O=C([O-])[C@H](CCF)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000656164731 452919507 /nfs/dbraw/zinc/91/95/07/452919507.db2.gz MYFTZDKFDJGITL-ZETCQYMHSA-N -1 2 331.699 1.709 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C)cc(F)c1C(=O)[O-] ZINC000663270126 453751286 /nfs/dbraw/zinc/75/12/86/453751286.db2.gz VRSMCEBCELRQNZ-UHFFFAOYSA-N -1 2 341.364 1.983 20 0 EDADLM O=C(c1cc(F)cc2n[nH]nc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000683372394 486699069 /nfs/dbraw/zinc/69/90/69/486699069.db2.gz FATSMYAAMOLWLJ-UHFFFAOYSA-N -1 2 326.335 1.454 20 0 EDADLM Cc1onc(N)c1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000684843775 487175142 /nfs/dbraw/zinc/17/51/42/487175142.db2.gz ASRFMGXSKDDRBG-UHFFFAOYSA-N -1 2 339.373 1.728 20 0 EDADLM C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000736811626 579023066 /nfs/dbraw/zinc/02/30/66/579023066.db2.gz RUOWTMVAJHOMSK-MAUKXSAKSA-N -1 2 347.459 1.222 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)cc1F ZINC000777644599 580447476 /nfs/dbraw/zinc/44/74/76/580447476.db2.gz JCVYFUKIKWOWMV-UHFFFAOYSA-N -1 2 339.348 1.931 20 0 EDADLM CC[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O)C(=O)[O-] ZINC000769563060 580240126 /nfs/dbraw/zinc/24/01/26/580240126.db2.gz UNFXILJNEUMNNR-SNVBAGLBSA-N -1 2 335.385 1.298 20 0 EDADLM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cccc(Cl)c2O)s1 ZINC000775669230 580396785 /nfs/dbraw/zinc/39/67/85/580396785.db2.gz WRBJGMUXMIDYOP-UHFFFAOYSA-N -1 2 348.793 1.521 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@@H](CC(=O)[O-])c1ccncc1 ZINC000899944794 591832633 /nfs/dbraw/zinc/83/26/33/591832633.db2.gz WJRZAGJEAHMUCG-WCBMZHEXSA-N -1 2 340.323 1.510 20 0 EDADLM Cc1nc(Cl)ccc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000808102488 593222765 /nfs/dbraw/zinc/22/27/65/593222765.db2.gz LHWVXIGQMQDLAK-UHFFFAOYSA-N -1 2 330.753 1.276 20 0 EDADLM CCc1cc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)nn1C ZINC000817354309 593594580 /nfs/dbraw/zinc/59/45/80/593594580.db2.gz IWNLKRJMOFAWPR-UHFFFAOYSA-N -1 2 341.364 1.929 20 0 EDADLM c1cc(-c2nn[nH]n2)sc1C[NH2+]Cc1nncn1-c1ccccc1 ZINC000823771695 593855293 /nfs/dbraw/zinc/85/52/93/593855293.db2.gz CHZFLBJCESRWBA-UHFFFAOYSA-N -1 2 338.400 1.799 20 0 EDADLM CCCNC(=O)[C@@H]1CCCN(c2[nH+]c(C)ccc2-c2nn[nH]n2)C1 ZINC000821114548 593969252 /nfs/dbraw/zinc/96/92/52/593969252.db2.gz WVUZGVJAIPCNKP-GFCCVEGCSA-N -1 2 329.408 1.313 20 0 EDADLM C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)OCCn1cc[nH+]c1 ZINC000824755831 594069665 /nfs/dbraw/zinc/06/96/65/594069665.db2.gz LNQIMDIDFJWLBF-NSHDSACASA-N -1 2 328.332 1.074 20 0 EDADLM C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824771146 594071948 /nfs/dbraw/zinc/07/19/48/594071948.db2.gz PQXQDDFXSDPYRU-LBPRGKRZSA-N -1 2 337.387 1.893 20 0 EDADLM C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824771146 594071950 /nfs/dbraw/zinc/07/19/50/594071950.db2.gz PQXQDDFXSDPYRU-LBPRGKRZSA-N -1 2 337.387 1.893 20 0 EDADLM CN(C(=O)[O-])[C@H]1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000827875449 594294625 /nfs/dbraw/zinc/29/46/25/594294625.db2.gz DSBUQWFFGMYXKC-LBPRGKRZSA-N -1 2 330.344 1.402 20 0 EDADLM CCn1nc(C)c(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)c1C ZINC000830440644 594396321 /nfs/dbraw/zinc/39/63/21/594396321.db2.gz GEHUXSCDVMICMV-UHFFFAOYSA-N -1 2 344.418 1.784 20 0 EDADLM O=C([O-])N1CC[C@H](CCNC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000831665647 594691045 /nfs/dbraw/zinc/69/10/45/594691045.db2.gz LSNGVIXMXIWFDB-LBPRGKRZSA-N -1 2 344.371 1.698 20 0 EDADLM COc1ccc(C)nc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000832264353 594738977 /nfs/dbraw/zinc/73/89/77/594738977.db2.gz AIZSTTSOIRSNDA-UHFFFAOYSA-N -1 2 336.369 1.827 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(CC(=O)[O-])C2CC2)=N1 ZINC000832889149 594783168 /nfs/dbraw/zinc/78/31/68/594783168.db2.gz DSHZDWKKNVLJAP-UHFFFAOYSA-N -1 2 333.319 1.715 20 0 EDADLM Cn1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)n1 ZINC000833054971 594794688 /nfs/dbraw/zinc/79/46/88/594794688.db2.gz FGXMSIHVFPYBTA-UHFFFAOYSA-N -1 2 344.418 1.673 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)cc1C(=O)[O-] ZINC000833055550 594794817 /nfs/dbraw/zinc/79/48/17/594794817.db2.gz WMIDVZHGBUAXFO-UHFFFAOYSA-N -1 2 340.405 1.836 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)NC(=O)CCc1ccoc1 ZINC000833103527 594797923 /nfs/dbraw/zinc/79/79/23/594797923.db2.gz PWGWPJHPNFKBNB-UHFFFAOYSA-N -1 2 329.355 1.477 20 0 EDADLM O=C([O-])CC1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000833214199 594805476 /nfs/dbraw/zinc/80/54/76/594805476.db2.gz HIPMNOJYIGWDDZ-UHFFFAOYSA-N -1 2 329.356 1.905 20 0 EDADLM O=C([O-])Cn1cnc(NS(=O)(=O)c2cccc3c2CCCC3)n1 ZINC000833276628 594819044 /nfs/dbraw/zinc/81/90/44/594819044.db2.gz LRECJCAHRZJQRE-UHFFFAOYSA-N -1 2 336.373 1.042 20 0 EDADLM O=C([O-])c1nc(Cl)ccc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000833344570 594830773 /nfs/dbraw/zinc/83/07/73/594830773.db2.gz CZCJTZWRDQEEHO-UHFFFAOYSA-N -1 2 331.712 1.768 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000833346196 594831039 /nfs/dbraw/zinc/83/10/39/594831039.db2.gz LKKFAMDDOTTYOE-UHFFFAOYSA-N -1 2 345.427 1.977 20 0 EDADLM Cc1ccc(C[N@@H+]2CCO[C@@H](CN=c3ncnc4[nH][nH]cc3-4)C2)cc1 ZINC000864357020 596867348 /nfs/dbraw/zinc/86/73/48/596867348.db2.gz SNPKRZCJBWHMKT-HNNXBMFYSA-N -1 2 338.415 1.348 20 0 EDADLM COCCn1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000319656207 601324357 /nfs/dbraw/zinc/32/43/57/601324357.db2.gz RZACXEXFNIFBDK-UHFFFAOYSA-N -1 2 343.336 1.168 20 0 EDADLM CCc1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)c3ncccc3O)C2)o1 ZINC000994906652 699288701 /nfs/dbraw/zinc/28/87/01/699288701.db2.gz CMSFYTRQKAHNEQ-VXGBXAGGSA-N -1 2 345.403 1.421 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@H](Oc1ccccc1)C(=O)[O-] ZINC000559152446 306251000 /nfs/dbraw/zinc/25/10/00/306251000.db2.gz MOUHQCKKHFOVGP-WPRPVWTQSA-N -1 2 341.307 1.389 20 0 EDADLM Cc1c(O)ccc2c(C[N@@H+](C)CCS(C)(=O)=O)cc(=O)oc12 ZINC000102772373 219229296 /nfs/dbraw/zinc/22/92/96/219229296.db2.gz HPMZNKJFRKTGGQ-UHFFFAOYSA-N -1 2 325.386 1.283 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)C[C@H](OC)C1CC1 ZINC000564084548 306355551 /nfs/dbraw/zinc/35/55/51/306355551.db2.gz MHQCYFHTJOZSHB-ZDUSSCGKSA-N -1 2 347.364 1.699 20 0 EDADLM CC(C)c1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000281281828 273456757 /nfs/dbraw/zinc/45/67/57/273456757.db2.gz XNCVYMYZPCKMKS-UHFFFAOYSA-N -1 2 326.378 1.381 20 0 EDADLM Cn1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(C2CC2)n1 ZINC000290881522 288969097 /nfs/dbraw/zinc/96/90/97/288969097.db2.gz BWXGPRQJZWVEEA-UHFFFAOYSA-N -1 2 327.387 1.858 20 0 EDADLM Cn1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C2CC2)n1 ZINC000291210181 289018876 /nfs/dbraw/zinc/01/88/76/289018876.db2.gz VLLQWWALOJGNGG-UHFFFAOYSA-N -1 2 339.348 1.936 20 0 EDADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1 ZINC000536988656 306025500 /nfs/dbraw/zinc/02/55/00/306025500.db2.gz IXFLUOZMZSUMAI-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c1C(=O)[O-] ZINC000545315093 306084174 /nfs/dbraw/zinc/08/41/74/306084174.db2.gz LAISBRIUQXTDLH-UHFFFAOYSA-N -1 2 338.320 1.540 20 0 EDADLM CCCCn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1C ZINC000160170718 441864146 /nfs/dbraw/zinc/86/41/46/441864146.db2.gz PIAKFMAOGZORRM-UHFFFAOYSA-N -1 2 340.405 1.829 20 0 EDADLM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C[N@@H+]1C1CC1 ZINC000441777474 320101430 /nfs/dbraw/zinc/10/14/30/320101430.db2.gz NUHVRCHOULAFFA-GXFFZTMASA-N -1 2 328.372 1.385 20 0 EDADLM O=C1NC(=O)N2CC[N@H+](Cc3csc(-c4ncccn4)n3)C[C@H]12 ZINC000329469668 444593376 /nfs/dbraw/zinc/59/33/76/444593376.db2.gz YFIZSGDMWVLHIJ-SNVBAGLBSA-N -1 2 330.373 1.176 20 0 EDADLM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc2[nH]nnc2c1 ZINC000362607559 445460980 /nfs/dbraw/zinc/46/09/80/445460980.db2.gz DZKJRLFBOZVQJE-UHFFFAOYSA-N -1 2 326.312 1.982 20 0 EDADLM COc1cc(S(=O)(=O)Nc2cnn(C)c2)c(Cl)cc1C(=O)[O-] ZINC000362304521 446312692 /nfs/dbraw/zinc/31/26/92/446312692.db2.gz HOHOGFNDCCDTFW-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM C[C@H]1CCCN(C(=O)C2=NN(c3ccccc3)CC2=O)[C@H]1C(=O)[O-] ZINC000424242785 446865527 /nfs/dbraw/zinc/86/55/27/446865527.db2.gz FDZLMGYMSMNJKA-XHDPSFHLSA-N -1 2 329.356 1.903 20 0 EDADLM O=C(NC1(c2nn[nH]n2)CC1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000447588911 447278804 /nfs/dbraw/zinc/27/88/04/447278804.db2.gz WLRGGCZPTLOBLY-UHFFFAOYSA-N -1 2 345.750 1.164 20 0 EDADLM O=C([O-])[C@H]1CC[C@@H](C(=O)N=c2nc(-c3ccsc3)[nH]s2)O1 ZINC000568628680 448899124 /nfs/dbraw/zinc/89/91/24/448899124.db2.gz VBKOKOLTSAOTHW-JGVFFNPUSA-N -1 2 325.371 1.259 20 0 EDADLM Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)Cc1ccc(O)c(F)c1)C2 ZINC000521445633 448987258 /nfs/dbraw/zinc/98/72/58/448987258.db2.gz VWUVUGWPTPFFMA-CYBMUJFWSA-N -1 2 347.390 1.245 20 0 EDADLM Cc1ccc(NS(C)(=O)=O)c(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000569588827 449052042 /nfs/dbraw/zinc/05/20/42/449052042.db2.gz FXGOKNAIJLECPJ-NSHDSACASA-N -1 2 336.417 1.907 20 0 EDADLM COC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)s1 ZINC000610032881 450131115 /nfs/dbraw/zinc/13/11/15/450131115.db2.gz SAYQNALIHSDKIP-UHFFFAOYSA-N -1 2 337.382 1.983 20 0 EDADLM C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000645600527 452584207 /nfs/dbraw/zinc/58/42/07/452584207.db2.gz OKOVVQUTLSXDMU-JOYOIKCWSA-N -1 2 349.378 1.861 20 0 EDADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000650407704 452740205 /nfs/dbraw/zinc/74/02/05/452740205.db2.gz MECFLOJNVPOBIL-YGRLFVJLSA-N -1 2 343.401 1.632 20 0 EDADLM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)c(F)c1O)[C@@H]1CCOC1 ZINC000656632443 453342973 /nfs/dbraw/zinc/34/29/73/453342973.db2.gz WDSIPRZNRRUEPL-LDYMZIIASA-N -1 2 337.344 1.464 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000339414803 536540232 /nfs/dbraw/zinc/54/02/32/536540232.db2.gz ALCJBSLZZIJTIH-QMMMGPOBSA-N -1 2 333.337 1.453 20 0 EDADLM O=C([O-])N(CCCNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C1CC1 ZINC000740431599 579345928 /nfs/dbraw/zinc/34/59/28/579345928.db2.gz SDBAYZOEHPRPLY-UHFFFAOYSA-N -1 2 346.343 1.292 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Nc2nccs2)c(C(=O)[O-])s1 ZINC000737681175 578317240 /nfs/dbraw/zinc/31/72/40/578317240.db2.gz QKQOGMCQFYOJKD-UHFFFAOYSA-N -1 2 348.383 1.490 20 0 EDADLM C[C@H](CC(=O)NS(=O)(=O)c1ccsc1C(=O)[O-])n1cccc1 ZINC000736547425 578998567 /nfs/dbraw/zinc/99/85/67/578998567.db2.gz BJVFRYFSOUQATQ-SECBINFHSA-N -1 2 342.398 1.704 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739722927 579241448 /nfs/dbraw/zinc/24/14/48/579241448.db2.gz KSEVBJAQKHEFRL-MRVPVSSYSA-N -1 2 336.373 1.355 20 0 EDADLM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cccc(Cl)c1O ZINC000793952687 580861718 /nfs/dbraw/zinc/86/17/18/580861718.db2.gz XBXBITRSBXFHIS-UHFFFAOYSA-N -1 2 331.719 1.979 20 0 EDADLM C[C@@H](NC(=O)c1cc2c(cc1O)CCCC2)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896568754 591529635 /nfs/dbraw/zinc/52/96/35/591529635.db2.gz OVMMXEAQCRHXLC-DYVFJYSZSA-N -1 2 331.460 1.635 20 0 EDADLM Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@@H](C[NH+]3CCOCC3)C2)[nH+]1 ZINC000822191978 594005946 /nfs/dbraw/zinc/00/59/46/594005946.db2.gz WEJVNQKBDRTVIB-AWEZNQCLSA-N -1 2 343.435 1.037 20 0 EDADLM C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824513899 594028359 /nfs/dbraw/zinc/02/83/59/594028359.db2.gz JMSVCSCQACXMQQ-NSHDSACASA-N -1 2 348.370 1.872 20 0 EDADLM CC[N@H+](CCOC)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825424912 594183125 /nfs/dbraw/zinc/18/31/25/594183125.db2.gz SJRUMHQUOAXJTD-SNVBAGLBSA-N -1 2 336.396 1.372 20 0 EDADLM CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000825424912 594183126 /nfs/dbraw/zinc/18/31/26/594183126.db2.gz SJRUMHQUOAXJTD-SNVBAGLBSA-N -1 2 336.396 1.372 20 0 EDADLM CN(C(=O)[O-])[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000827875447 594294583 /nfs/dbraw/zinc/29/45/83/594294583.db2.gz DSBUQWFFGMYXKC-GFCCVEGCSA-N -1 2 330.344 1.402 20 0 EDADLM CC(C)(C(=O)[O-])c1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1 ZINC000826112919 594335343 /nfs/dbraw/zinc/33/53/43/594335343.db2.gz AIIYKKFLNVOQLC-SNVBAGLBSA-N -1 2 335.385 1.544 20 0 EDADLM CC(C)(C(=O)[O-])c1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 ZINC000826112919 594335344 /nfs/dbraw/zinc/33/53/44/594335344.db2.gz AIIYKKFLNVOQLC-SNVBAGLBSA-N -1 2 335.385 1.544 20 0 EDADLM CCc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)no1 ZINC000830224815 594358435 /nfs/dbraw/zinc/35/84/35/594358435.db2.gz WUJZKIZJCPEQIN-UHFFFAOYSA-N -1 2 326.330 1.501 20 0 EDADLM COc1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000832425356 594749561 /nfs/dbraw/zinc/74/95/61/594749561.db2.gz VWQHPXWTJJXULO-UHFFFAOYSA-N -1 2 329.355 1.961 20 0 EDADLM Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000832922590 594785285 /nfs/dbraw/zinc/78/52/85/594785285.db2.gz AIPOVLDMSRLYJE-UHFFFAOYSA-N -1 2 341.370 1.049 20 0 EDADLM Cn1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)n1 ZINC000833054975 594794710 /nfs/dbraw/zinc/79/47/10/594794710.db2.gz FNRRNQWAJCMXHG-UHFFFAOYSA-N -1 2 330.391 1.085 20 0 EDADLM N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)S1 ZINC000833089771 594796981 /nfs/dbraw/zinc/79/69/81/594796981.db2.gz XXJVWQXDVWMCHA-MRVPVSSYSA-N -1 2 326.309 1.411 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)S1 ZINC000833089771 594796982 /nfs/dbraw/zinc/79/69/82/594796982.db2.gz XXJVWQXDVWMCHA-MRVPVSSYSA-N -1 2 326.309 1.411 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3cccnc3)[nH]n2)cc1 ZINC000833323309 594827315 /nfs/dbraw/zinc/82/73/15/594827315.db2.gz BBWLYPACMRPWJW-UHFFFAOYSA-N -1 2 344.352 1.971 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)NC(=O)[C@@H]1CC12CCCC2 ZINC000833348218 594832095 /nfs/dbraw/zinc/83/20/95/594832095.db2.gz PMNCCJJMGUNBLC-QMMMGPOBSA-N -1 2 329.399 1.832 20 0 EDADLM O=C([O-])N1CCN(CCNC(=O)c2cccc(Cl)c2O)CC1 ZINC000834042481 594998808 /nfs/dbraw/zinc/99/88/08/594998808.db2.gz WFVMFARIJLQXPM-UHFFFAOYSA-N -1 2 327.768 1.071 20 0 EDADLM C[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000843294703 595064424 /nfs/dbraw/zinc/06/44/24/595064424.db2.gz PPSOKIYMQXZQKX-RFZPGFLSSA-N -1 2 332.325 1.773 20 0 EDADLM O=C(Cc1ccc(O)c(Cl)c1)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000869736800 596611722 /nfs/dbraw/zinc/61/17/22/596611722.db2.gz QOUWJVURXPFFEY-BETUJISGSA-N -1 2 325.792 1.995 20 0 EDADLM O=C([O-])CCC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000872995113 597153825 /nfs/dbraw/zinc/15/38/25/597153825.db2.gz KTWKAULJAVAIBE-UHFFFAOYSA-N -1 2 336.241 1.808 20 0 EDADLM COC(=O)c1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC000321844852 600576037 /nfs/dbraw/zinc/57/60/37/600576037.db2.gz JANUVNSCYXDAGV-UHFFFAOYSA-N -1 2 336.325 1.367 20 0 EDADLM COc1ccc(C(=O)[O-])c(S(=O)(=O)NC2C3C2C2CCC3C2)c1 ZINC000634653324 539344695 /nfs/dbraw/zinc/34/46/95/539344695.db2.gz RFHUGCOKISRLQF-LRQZZLGCSA-N -1 2 337.397 1.716 20 0 EDADLM Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C2CC2)n1 ZINC000291150416 289008969 /nfs/dbraw/zinc/00/89/69/289008969.db2.gz PXGSEEFSOYPURS-UHFFFAOYSA-N -1 2 327.387 1.858 20 0 EDADLM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)CC(C)(C)C(=O)OC)c1 ZINC000436600910 305161860 /nfs/dbraw/zinc/16/18/60/305161860.db2.gz ADTIWMJYTAXUPI-UHFFFAOYSA-N -1 2 343.401 1.926 20 0 EDADLM CC1(C)C[C@H]([NH2+]CC2=Nc3ccccc3S(=O)(=O)N2)C(C)(C)O1 ZINC000119794319 441953108 /nfs/dbraw/zinc/95/31/08/441953108.db2.gz ZNSJWNJSOAVKFB-ZDUSSCGKSA-N -1 2 337.445 1.944 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2ccc(OCCC(=O)[O-])cc2)cn1 ZINC000265695181 442883499 /nfs/dbraw/zinc/88/34/99/442883499.db2.gz AVEFSHODNZLNDO-UHFFFAOYSA-N -1 2 339.373 1.557 20 0 EDADLM CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCCC[C@@H]1c1nc(=O)[nH][nH]1 ZINC000298649097 443828945 /nfs/dbraw/zinc/82/89/45/443828945.db2.gz XIGWAYZAQPVCPW-CQSZACIVSA-N -1 2 347.394 1.423 20 0 EDADLM COC(=O)c1coc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 ZINC000289485940 444156663 /nfs/dbraw/zinc/15/66/63/444156663.db2.gz OPFSKAVBWNQETB-SNVBAGLBSA-N -1 2 348.321 1.957 20 0 EDADLM Cn1ncc2c1[nH]cc(C(=O)N1CC3(CCC3)[C@H]1[C@@H]1CCCO1)c2=O ZINC000365686702 446300756 /nfs/dbraw/zinc/30/07/56/446300756.db2.gz BERRCKBOVSOING-DZGCQCFKSA-N -1 2 342.399 1.848 20 0 EDADLM O=C(CN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO)NOCc1ccccc1 ZINC000376503220 446539868 /nfs/dbraw/zinc/53/98/68/446539868.db2.gz AXBJLKYJLLEZNH-QZTJIDSGSA-N -1 2 347.459 1.156 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000368540704 446933395 /nfs/dbraw/zinc/93/33/95/446933395.db2.gz WLRYJELZNWRCCZ-UHFFFAOYSA-N -1 2 349.328 1.267 20 0 EDADLM CC[C@@H](CS(=O)(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC)OC ZINC000421160786 447045792 /nfs/dbraw/zinc/04/57/92/447045792.db2.gz VYTZPPTUSDJNBW-JTQLQIEISA-N -1 2 347.389 1.569 20 0 EDADLM COc1cc[nH+]c(N2CC[NH+](Cc3cc(=O)[nH]c(C4CC4)n3)CC2)c1 ZINC000459335742 447636529 /nfs/dbraw/zinc/63/65/29/447636529.db2.gz IHLAUDTWRAREHR-UHFFFAOYSA-N -1 2 341.415 1.785 20 0 EDADLM Cn1cc[nH+]c1[C@H](NC(=O)CNC(=O)c1cccc(O)c1)C1CC1 ZINC000576643246 448103742 /nfs/dbraw/zinc/10/37/42/448103742.db2.gz JOUOHBQDENPCSY-OAHLLOKOSA-N -1 2 328.372 1.123 20 0 EDADLM C[C@H](Sc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1)C(=O)[O-] ZINC000507587418 448146719 /nfs/dbraw/zinc/14/67/19/448146719.db2.gz YRLZEPADDROCAZ-QMMMGPOBSA-N -1 2 327.387 1.776 20 0 EDADLM O=C([O-])[C@@H](CNS(=O)(=O)CC(F)(F)F)Cc1cccc(F)c1 ZINC000566178331 448405178 /nfs/dbraw/zinc/40/51/78/448405178.db2.gz TWRUFPXSVGTGNS-SECBINFHSA-N -1 2 343.298 1.551 20 0 EDADLM Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCSC[C@H]3C(=O)[O-])c2cc1C ZINC000582133953 449020693 /nfs/dbraw/zinc/02/06/93/449020693.db2.gz XQKAHLFQDHCIKS-BBRMVZONSA-N -1 2 349.456 1.516 20 0 EDADLM Cc1c(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])cnn1C ZINC000644629106 451903828 /nfs/dbraw/zinc/90/38/28/451903828.db2.gz CPJYXZCKLOKBNF-UHFFFAOYSA-N -1 2 327.337 1.675 20 0 EDADLM C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000645600523 452583556 /nfs/dbraw/zinc/58/35/56/452583556.db2.gz OKOVVQUTLSXDMU-BXKDBHETSA-N -1 2 349.378 1.861 20 0 EDADLM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cnn2c1OCCC2 ZINC000647921657 452657897 /nfs/dbraw/zinc/65/78/97/452657897.db2.gz YHUVQYFKMOXDGC-UHFFFAOYSA-N -1 2 341.320 1.304 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCC(C)(C)C(=O)[O-])=N1 ZINC000781134772 580542458 /nfs/dbraw/zinc/54/24/58/580542458.db2.gz SLITXFOXBNEXKC-UHFFFAOYSA-N -1 2 335.335 1.866 20 0 EDADLM CN1CCN(C(=O)c2cccc(C(F)(F)F)c2O)CC[N@H+](C)CC1 ZINC000888982217 590932380 /nfs/dbraw/zinc/93/23/80/590932380.db2.gz JSZTVELNSWAHFA-UHFFFAOYSA-N -1 2 345.365 1.730 20 0 EDADLM CN(C)C(=O)c1cccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)c1 ZINC000895879878 591293558 /nfs/dbraw/zinc/29/35/58/591293558.db2.gz DKXMDGKDIKNWSG-UHFFFAOYSA-N -1 2 343.349 1.499 20 0 EDADLM Cc1ccc2c([n-]cc(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCN3C)c2=O)[nH+]1 ZINC000896568949 591523448 /nfs/dbraw/zinc/52/34/48/591523448.db2.gz CYXPHHRUPHZWOA-WFASDCNBSA-N -1 2 343.431 1.008 20 0 EDADLM Cc1ccc2c([n-]cc(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCN3C)c2=O)[nH+]1 ZINC000896568949 591523455 /nfs/dbraw/zinc/52/34/55/591523455.db2.gz CYXPHHRUPHZWOA-WFASDCNBSA-N -1 2 343.431 1.008 20 0 EDADLM CO[C@H]1CN(C(=O)c2cc(F)c(O)c(Cl)c2)[C@@](C)(C(=O)[O-])C1 ZINC000910264070 592812616 /nfs/dbraw/zinc/81/26/16/592812616.db2.gz NHJICRQYUFQKLN-XLKFXECMSA-N -1 2 331.727 1.889 20 0 EDADLM CCn1nc(C)c(S(=O)(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC000818363377 593694634 /nfs/dbraw/zinc/69/46/34/593694634.db2.gz BFOCXMCBUKMEMR-UHFFFAOYSA-N -1 2 337.401 1.948 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnnn2-c2ccccc2)cc1 ZINC000821116619 593969671 /nfs/dbraw/zinc/96/96/71/593969671.db2.gz QXUNPMLIULQONJ-UHFFFAOYSA-N -1 2 344.352 1.766 20 0 EDADLM C[N@H+](CCc1nccs1)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825950727 594289146 /nfs/dbraw/zinc/28/91/46/594289146.db2.gz SIGLGLZDMBUOLG-UHFFFAOYSA-N -1 2 343.416 1.436 20 0 EDADLM CN(C[C@@H]1CCCN1C(=O)C1=NN(c2ccccc2)CC1=O)C(=O)[O-] ZINC000828218773 594367647 /nfs/dbraw/zinc/36/76/47/594367647.db2.gz VQKULOFRFDVDCF-ZDUSSCGKSA-N -1 2 344.371 1.792 20 0 EDADLM CCCn1nccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000829591153 594646321 /nfs/dbraw/zinc/64/63/21/594646321.db2.gz OMLDURGDPXJLRN-UHFFFAOYSA-N -1 2 327.337 1.931 20 0 EDADLM O=C([O-])N(CCNC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C1CC1 ZINC000831684469 594692422 /nfs/dbraw/zinc/69/24/22/594692422.db2.gz BHCAYXOUUWHAAL-UHFFFAOYSA-N -1 2 348.334 1.589 20 0 EDADLM O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000832481236 594753412 /nfs/dbraw/zinc/75/34/12/594753412.db2.gz HGXPSAOIPKFEGY-WCQYABFASA-N -1 2 344.371 1.744 20 0 EDADLM O=C([O-])NC[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000832588531 594761707 /nfs/dbraw/zinc/76/17/07/594761707.db2.gz DMPVNDCLFRXLLU-NSHDSACASA-N -1 2 330.344 1.308 20 0 EDADLM CSCc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832770879 594775490 /nfs/dbraw/zinc/77/54/90/594775490.db2.gz LHQMEUZXXPVOFY-UHFFFAOYSA-N -1 2 341.414 1.632 20 0 EDADLM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000833034343 594792835 /nfs/dbraw/zinc/79/28/35/594792835.db2.gz ZARPBQWWUBBPHX-UHFFFAOYSA-N -1 2 347.399 1.111 20 0 EDADLM Cc1cccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1C(=O)[O-] ZINC000738747230 600254019 /nfs/dbraw/zinc/25/40/19/600254019.db2.gz PQTIUISYHNJPRH-UHFFFAOYSA-N -1 2 345.327 1.956 20 0 EDADLM Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cnccc1C(=O)[O-] ZINC000738916252 600515231 /nfs/dbraw/zinc/51/52/31/600515231.db2.gz ZRZQQHWVASFJSQ-UHFFFAOYSA-N -1 2 330.753 1.276 20 0 EDADLM C[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000921413009 697597313 /nfs/dbraw/zinc/59/73/13/697597313.db2.gz BAAPJODODLZXOE-MRVPVSSYSA-N -1 2 342.314 1.707 20 0 EDADLM Cc1nc[nH]c(=O)c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001032495603 703785136 /nfs/dbraw/zinc/78/51/36/703785136.db2.gz QGWAWIIDNGATCS-KZUJRYBGSA-N -1 2 336.823 1.461 20 0 EDADLM Cc1ccc(Cl)cc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000038030424 202089807 /nfs/dbraw/zinc/08/98/07/202089807.db2.gz KKEOCZVXYJXYQL-UHFFFAOYSA-N -1 2 329.765 1.730 20 0 EDADLM C[C@H]1CN(c2ccc(CNC(=O)C(F)(F)C(F)F)c[nH+]2)CCO1 ZINC000176000070 207180663 /nfs/dbraw/zinc/18/06/63/207180663.db2.gz ICKCCKOVMWOMKR-VIFPVBQESA-N -1 2 335.301 1.823 20 0 EDADLM COC[C@H](C)n1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000488987176 255061675 /nfs/dbraw/zinc/06/16/75/255061675.db2.gz WNNZBTVMSCDDJR-QMMMGPOBSA-N -1 2 345.402 1.651 20 0 EDADLM COCCn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000489698614 255071839 /nfs/dbraw/zinc/07/18/39/255071839.db2.gz UQOFNCNGGFMHGB-UHFFFAOYSA-N -1 2 343.336 1.168 20 0 EDADLM COCn1nc(C)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1C ZINC000424061248 304926705 /nfs/dbraw/zinc/92/67/05/304926705.db2.gz ILUWGBNAEQNWGV-UHFFFAOYSA-N -1 2 339.373 1.603 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc3c2CNC3=O)c1 ZINC000436782341 305167024 /nfs/dbraw/zinc/16/70/24/305167024.db2.gz XLPIBQVYXROXMB-UHFFFAOYSA-N -1 2 348.336 1.135 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](C(=O)[O-])c1cccc(F)c1 ZINC000547587081 306104520 /nfs/dbraw/zinc/10/45/20/306104520.db2.gz APQMPJPDZQSSIM-IMTBSYHQSA-N -1 2 329.271 1.822 20 0 EDADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nn[nH]c2c1 ZINC000426350172 447421775 /nfs/dbraw/zinc/42/17/75/447421775.db2.gz FCWPIZFZTQETDH-UHFFFAOYSA-N -1 2 332.341 1.765 20 0 EDADLM C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1nn[nH]n1 ZINC000124324117 441917541 /nfs/dbraw/zinc/91/75/41/441917541.db2.gz JTYOLZCLKVRJJA-GOEBONIOSA-N -1 2 342.447 1.816 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)=N1 ZINC000165454100 442209401 /nfs/dbraw/zinc/20/94/01/442209401.db2.gz QEIVMHMKIBMBOK-LLVKDONJSA-N -1 2 347.346 1.962 20 0 EDADLM Cc1cccc(F)c1S(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000195505465 443025589 /nfs/dbraw/zinc/02/55/89/443025589.db2.gz HCMJYZSBDCMVPP-UHFFFAOYSA-N -1 2 349.347 1.204 20 0 EDADLM O=C([O-])[C@H](CNS(=O)(=O)CC(F)(F)F)Oc1ccc(F)cc1 ZINC000562382741 321055046 /nfs/dbraw/zinc/05/50/46/321055046.db2.gz LWKPDAYJKIPBMP-VIFPVBQESA-N -1 2 345.270 1.139 20 0 EDADLM O=C([O-])c1ccn(-c2ccccc2NS(=O)(=O)c2ccoc2)n1 ZINC000349080328 445497958 /nfs/dbraw/zinc/49/79/58/445497958.db2.gz HASIVKWJCFKILY-UHFFFAOYSA-N -1 2 333.325 1.964 20 0 EDADLM Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(N3C(=O)CCCC3=O)CC2)n1 ZINC000365682493 446298992 /nfs/dbraw/zinc/29/89/92/446298992.db2.gz WFRBAGJVENKPPB-GFCCVEGCSA-N -1 2 332.404 1.555 20 0 EDADLM CNc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cn1 ZINC000376738390 446687950 /nfs/dbraw/zinc/68/79/50/446687950.db2.gz XWIQIXOJRDWOGK-UHFFFAOYSA-N -1 2 330.298 2.439 20 0 EDADLM CCn1nccc1S(=O)(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000375611971 446924852 /nfs/dbraw/zinc/92/48/52/446924852.db2.gz IHLYFENWSGFBLU-UHFFFAOYSA-N -1 2 348.388 1.503 20 0 EDADLM COc1cccc2c(NC[C@H](CO)[C@@H]3CCOC3)c(C(=O)[O-])c[nH+]c12 ZINC000572124241 448295102 /nfs/dbraw/zinc/29/51/02/448295102.db2.gz NSJACWZMURIVQE-VXGBXAGGSA-N -1 2 346.383 1.999 20 0 EDADLM CC[C@@H](C(=O)N[C@H](c1nn[nH]n1)c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000665826718 452401525 /nfs/dbraw/zinc/40/15/25/452401525.db2.gz USTQYEFSMYSANL-RYUDHWBXSA-N -1 2 340.790 1.538 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cn1 ZINC000740291097 579327566 /nfs/dbraw/zinc/32/75/66/579327566.db2.gz SVHWNFLGNOLCLT-UHFFFAOYSA-N -1 2 336.373 1.257 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(OCCO)cc2)s1 ZINC000740188030 579298550 /nfs/dbraw/zinc/29/85/50/579298550.db2.gz YWTSJWGTEXPFSN-UHFFFAOYSA-N -1 2 343.382 1.618 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000776599467 580423637 /nfs/dbraw/zinc/42/36/37/580423637.db2.gz HHVZOEZPVQRRJM-VXNVDRBHSA-N -1 2 333.328 1.127 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776605359 580423984 /nfs/dbraw/zinc/42/39/84/580423984.db2.gz VLSXYZGXFUCYJP-FKTZTGRPSA-N -1 2 341.307 1.043 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1C ZINC000790005509 580759281 /nfs/dbraw/zinc/75/92/81/580759281.db2.gz MRDYZMWHPQRVCJ-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM COCC[N@H+](Cc1cc(O)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000894489840 591324423 /nfs/dbraw/zinc/32/44/23/591324423.db2.gz HCIUBPBPUGCNJO-CYBMUJFWSA-N -1 2 333.837 1.681 20 0 EDADLM O=C([O-])C(F)(F)CNS(=O)(=O)Cc1cc(Cl)ccc1F ZINC000906000431 592711710 /nfs/dbraw/zinc/71/17/10/592711710.db2.gz XQFWZJVFDWDBSS-UHFFFAOYSA-N -1 2 331.699 1.618 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2CC(C)(C(=O)[O-])C2)=N1 ZINC000910058554 592760032 /nfs/dbraw/zinc/76/00/32/592760032.db2.gz JFMQXBXLZXCEHK-UHFFFAOYSA-N -1 2 329.356 1.687 20 0 EDADLM O=C(/C=C\C[NH+]1CCOCC1)Nc1cc(Br)ccc1O ZINC000867008345 593282793 /nfs/dbraw/zinc/28/27/93/593282793.db2.gz LSKGXBMDFPRLDH-UPHRSURJSA-N -1 2 341.205 1.982 20 0 EDADLM O=C(Nn1c(=O)[n-][nH]c1=O)c1csc(-c2c(F)cccc2F)n1 ZINC000820287801 593806588 /nfs/dbraw/zinc/80/65/88/593806588.db2.gz DBLFQVXWUTZDPC-UHFFFAOYSA-N -1 2 339.283 1.475 20 0 EDADLM COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000821702065 593919828 /nfs/dbraw/zinc/91/98/28/593919828.db2.gz GMSMQALAWQVDGZ-NEPJUHHUSA-N -1 2 333.392 1.363 20 0 EDADLM C[C@H](NC(=O)[O-])c1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 ZINC000825418839 594182213 /nfs/dbraw/zinc/18/22/13/594182213.db2.gz YBKFDYHKPKAUNH-XVKPBYJWSA-N -1 2 336.373 1.510 20 0 EDADLM C[C@H](NC(=O)[O-])c1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 ZINC000825418839 594182214 /nfs/dbraw/zinc/18/22/14/594182214.db2.gz YBKFDYHKPKAUNH-XVKPBYJWSA-N -1 2 336.373 1.510 20 0 EDADLM C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000826025917 594309256 /nfs/dbraw/zinc/30/92/56/594309256.db2.gz FOIYRHGTPUKBFE-NSHDSACASA-N -1 2 330.344 1.402 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)C(C)(C)CNC(=O)[O-])c(C)s1 ZINC000830131948 594341758 /nfs/dbraw/zinc/34/17/58/594341758.db2.gz ANURRBLLGOQQLW-UHFFFAOYSA-N -1 2 334.419 1.464 20 0 EDADLM CC(C)Cn1cc(NS(=O)(=O)c2csnc2C(=O)[O-])cn1 ZINC000826917929 594601972 /nfs/dbraw/zinc/60/19/72/594601972.db2.gz OMSKDDAAAQHSCW-UHFFFAOYSA-N -1 2 330.391 1.495 20 0 EDADLM O=C(C[C@@H]1CCCN1C(=O)[O-])Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000831339780 594610781 /nfs/dbraw/zinc/61/07/81/594610781.db2.gz LRIGBVHPXFVYFT-NSHDSACASA-N -1 2 332.316 1.501 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Nc2ncc(C)o2)c(C(=O)[O-])s1 ZINC000831353402 594613452 /nfs/dbraw/zinc/61/34/52/594613452.db2.gz JNSDUICJUZZERF-UHFFFAOYSA-N -1 2 346.342 1.330 20 0 EDADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000833038952 594793348 /nfs/dbraw/zinc/79/33/48/594793348.db2.gz ATTPQRNSCMDESJ-UHFFFAOYSA-N -1 2 343.792 1.892 20 0 EDADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc2[nH]nnc2c1 ZINC000833318702 594826351 /nfs/dbraw/zinc/82/63/51/594826351.db2.gz UTXQOBKSYGIPIQ-UHFFFAOYSA-N -1 2 336.304 1.596 20 0 EDADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc2n[nH]nc2c1 ZINC000833318702 594826352 /nfs/dbraw/zinc/82/63/52/594826352.db2.gz UTXQOBKSYGIPIQ-UHFFFAOYSA-N -1 2 336.304 1.596 20 0 EDADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc2nn[nH]c2c1 ZINC000833318702 594826354 /nfs/dbraw/zinc/82/63/54/594826354.db2.gz UTXQOBKSYGIPIQ-UHFFFAOYSA-N -1 2 336.304 1.596 20 0 EDADLM CN(CCN(C)C(=O)C1=NN(c2ccc(F)cc2)CC1=O)C(=O)[O-] ZINC000833873997 594954522 /nfs/dbraw/zinc/95/45/22/594954522.db2.gz UPILESFJSGRCAY-UHFFFAOYSA-N -1 2 336.323 1.399 20 0 EDADLM CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cc(C(=O)[O-])ccn1 ZINC000851696907 595889295 /nfs/dbraw/zinc/88/92/95/595889295.db2.gz ZXPYGEPNQNEPJO-VIFPVBQESA-N -1 2 333.266 1.421 20 0 EDADLM Cc1nnc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000123503110 596477673 /nfs/dbraw/zinc/47/76/73/596477673.db2.gz WRDNSRYYGFBQCT-QPJJXVBHSA-N -1 2 325.371 1.745 20 0 EDADLM CC(C)n1cc(S(=O)(=O)NC(=O)[C@H](C(=O)[O-])C2CCCC2)cn1 ZINC000863963839 596734589 /nfs/dbraw/zinc/73/45/89/596734589.db2.gz IKXXQHAXBZLKEO-GFCCVEGCSA-N -1 2 343.405 1.160 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)s1 ZINC000740187120 600473240 /nfs/dbraw/zinc/47/32/40/600473240.db2.gz GWAAHFLUKAPXIX-UHFFFAOYSA-N -1 2 346.411 1.776 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)s1 ZINC000232264081 601500539 /nfs/dbraw/zinc/50/05/39/601500539.db2.gz NXEKGRXCLYLGGW-UHFFFAOYSA-N -1 2 327.387 1.908 20 0 EDADLM CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cc1O ZINC000355008251 150073874 /nfs/dbraw/zinc/07/38/74/150073874.db2.gz URTJMIOIPCRSQY-AWEZNQCLSA-N -1 2 348.378 1.967 20 0 EDADLM CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)cc1O ZINC000355008251 150073875 /nfs/dbraw/zinc/07/38/75/150073875.db2.gz URTJMIOIPCRSQY-AWEZNQCLSA-N -1 2 348.378 1.967 20 0 EDADLM COc1ncc(C)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000360853564 152229660 /nfs/dbraw/zinc/22/96/60/152229660.db2.gz AZWMKMFVCIAUHS-UHFFFAOYSA-N -1 2 336.369 1.827 20 0 EDADLM O=C([O-])c1ccc2cccnc2c1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000275145122 268286818 /nfs/dbraw/zinc/28/68/18/268286818.db2.gz XPJWVBGFJWBBOA-NSHDSACASA-N -1 2 336.369 1.854 20 0 EDADLM COC(=O)c1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1O ZINC000436821681 305168003 /nfs/dbraw/zinc/16/80/03/305168003.db2.gz QGLGJYDACZTVOY-UHFFFAOYSA-N -1 2 340.313 1.006 20 0 EDADLM CC(C)[C@@H](CO)O[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000496796846 305678967 /nfs/dbraw/zinc/67/89/67/305678967.db2.gz FMARJCXCTCSUGP-BDAKNGLRSA-N -1 2 344.330 1.507 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1C(=O)[O-] ZINC000536992565 306025583 /nfs/dbraw/zinc/02/55/83/306025583.db2.gz MVTPUBNYTXWHLB-UHFFFAOYSA-N -1 2 347.356 1.105 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)[C@H](C)COC ZINC000548260229 306122933 /nfs/dbraw/zinc/12/29/33/306122933.db2.gz UBZVOQANSPQSAP-MRVPVSSYSA-N -1 2 335.353 1.699 20 0 EDADLM CCn1cncc1S(=O)(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000551912305 306167910 /nfs/dbraw/zinc/16/79/10/306167910.db2.gz WCRQILCSXOKDIQ-UHFFFAOYSA-N -1 2 339.373 1.557 20 0 EDADLM CC(C)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000266629836 443191781 /nfs/dbraw/zinc/19/17/81/443191781.db2.gz VDUPUMBJFKHFSY-UHFFFAOYSA-N -1 2 326.378 1.377 20 0 EDADLM Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(C)c2)cc1C(=O)[O-] ZINC000358883903 445830468 /nfs/dbraw/zinc/83/04/68/445830468.db2.gz VFVIXDTZOXWDHO-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM CN1CCO[C@H]2C[N@H+](Cc3cc(=O)[nH]c(-c4ccccc4)n3)C[C@H]21 ZINC000459357009 447645252 /nfs/dbraw/zinc/64/52/52/447645252.db2.gz ZFFUYYGGOMCDLN-CVEARBPZSA-N -1 2 326.400 1.364 20 0 EDADLM COc1ccc2c(c1)[nH]cc(C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)c2=O ZINC000576226552 448004337 /nfs/dbraw/zinc/00/43/37/448004337.db2.gz KIUQVFUYPRYNOH-NOZJJQNGSA-N -1 2 330.340 1.329 20 0 EDADLM COc1ccc2c(c1)[nH]cc(C(=O)N1CCC[C@H](C(=O)[O-])C1)c2=O ZINC000570964576 448086559 /nfs/dbraw/zinc/08/65/59/448086559.db2.gz RUXHORFWRLBRPZ-JTQLQIEISA-N -1 2 330.340 1.474 20 0 EDADLM CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cccc3[nH]nnc32)cn1 ZINC000526121249 448104887 /nfs/dbraw/zinc/10/48/87/448104887.db2.gz GRMACRDSTIFGEQ-GOEBONIOSA-N -1 2 340.387 1.824 20 0 EDADLM CCc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cn1 ZINC000532612426 448281525 /nfs/dbraw/zinc/28/15/25/448281525.db2.gz YVILCWNKBAQMFF-UHFFFAOYSA-N -1 2 327.387 1.908 20 0 EDADLM CC1(c2nc(=NC(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)s[nH]2)CC1 ZINC000529702813 448930647 /nfs/dbraw/zinc/93/06/47/448930647.db2.gz DUZGIGAZODWGQY-UHFFFAOYSA-N -1 2 344.356 1.013 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NCCc1ccccc1C(=O)[O-] ZINC000548265280 449008404 /nfs/dbraw/zinc/00/84/04/449008404.db2.gz YOIYMCMDNHPAQW-MRVPVSSYSA-N -1 2 325.308 1.798 20 0 EDADLM CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(OC)ccc1O ZINC000632298359 451182249 /nfs/dbraw/zinc/18/22/49/451182249.db2.gz JVAQHIBJWCGUMS-GFCCVEGCSA-N -1 2 328.434 1.506 20 0 EDADLM Cc1ccsc1-c1nc(=NC(=O)NC[C@H](C)C(=O)[O-])s[nH]1 ZINC000653541979 452003790 /nfs/dbraw/zinc/00/37/90/452003790.db2.gz BPWKQUNQUQOGDJ-ZETCQYMHSA-N -1 2 326.403 1.839 20 0 EDADLM C[C@](CNC(=O)N=c1ccc(C2CC2)n[nH]1)(C(=O)[O-])c1ccccc1 ZINC000649540882 452135633 /nfs/dbraw/zinc/13/56/33/452135633.db2.gz JLULMXMXPJAXHY-GOSISDBHSA-N -1 2 340.383 1.940 20 0 EDADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2cnnn2C)cc1)C(=O)[O-] ZINC000650412135 452744793 /nfs/dbraw/zinc/74/47/93/452744793.db2.gz WZDNXJCQTOUGAQ-LLVKDONJSA-N -1 2 338.389 1.269 20 0 EDADLM C[C@@H](C(=O)[O-])N(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)C1CC1 ZINC000663053173 453662231 /nfs/dbraw/zinc/66/22/31/453662231.db2.gz AOQFQWQWDKAADH-VIFPVBQESA-N -1 2 333.319 1.795 20 0 EDADLM Cn1c(=O)c2ccc(C(=O)O[C@@H]3CCN(C(=O)[O-])C3)cc2[nH]c1=S ZINC000740282742 579326574 /nfs/dbraw/zinc/32/65/74/579326574.db2.gz DTLHUHVPEYSHGQ-SECBINFHSA-N -1 2 349.368 1.131 20 0 EDADLM CCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000737823489 578719477 /nfs/dbraw/zinc/71/94/77/578719477.db2.gz SSAAXCHGQXHJQR-UHFFFAOYSA-N -1 2 349.412 1.642 20 0 EDADLM C[C@@H](OC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C(=O)[O-] ZINC000736689269 579012540 /nfs/dbraw/zinc/01/25/40/579012540.db2.gz JJUYXZLIWGVNCK-ZCFIWIBFSA-N -1 2 340.129 1.921 20 0 EDADLM C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000736811636 579023030 /nfs/dbraw/zinc/02/30/30/579023030.db2.gz RUOWTMVAJHOMSK-QAPCUYQASA-N -1 2 347.459 1.222 20 0 EDADLM COc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000738146269 579164105 /nfs/dbraw/zinc/16/41/05/579164105.db2.gz RACFYSTWFMRKOC-UHFFFAOYSA-N -1 2 344.295 1.867 20 0 EDADLM O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cc1 ZINC000740115370 579290920 /nfs/dbraw/zinc/29/09/20/579290920.db2.gz WYONIMAQHPRIOA-UHFFFAOYSA-N -1 2 325.280 1.980 20 0 EDADLM C[C@H](NC(=O)c1cc2c(cc1O)CCCC2)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896568755 591529489 /nfs/dbraw/zinc/52/94/89/591529489.db2.gz OVMMXEAQCRHXLC-GUYCJALGSA-N -1 2 331.460 1.635 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000809551018 593344876 /nfs/dbraw/zinc/34/48/76/593344876.db2.gz NBRVKYCBAMJYEM-RCOVLWMOSA-N -1 2 327.280 1.388 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@@H]3C(=O)[O-])=N2)cc1 ZINC000820805368 593894376 /nfs/dbraw/zinc/89/43/76/593894376.db2.gz WMNZTAIXYPDTMF-GFCCVEGCSA-N -1 2 331.328 1.276 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N3CC[C@H](C(=O)[O-])C3)=N2)cc1 ZINC000820805243 593894520 /nfs/dbraw/zinc/89/45/20/593894520.db2.gz PAYJGDODUPSYIK-JTQLQIEISA-N -1 2 331.328 1.133 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)c(C)s1 ZINC000830133352 594342212 /nfs/dbraw/zinc/34/22/12/594342212.db2.gz RSHCHCRVIOJVQN-ZDUSSCGKSA-N -1 2 346.430 1.560 20 0 EDADLM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000828634630 594469128 /nfs/dbraw/zinc/46/91/28/594469128.db2.gz USQMSBZJAFOMBC-OAHLLOKOSA-N -1 2 334.332 1.118 20 0 EDADLM CCCCc1nnc(NS(=O)(=O)c2csnc2C(=O)[O-])s1 ZINC000829440762 594613932 /nfs/dbraw/zinc/61/39/32/594613932.db2.gz PZXFEEVUDNXXPU-UHFFFAOYSA-N -1 2 348.431 1.836 20 0 EDADLM O=C([O-])N(CCCNC(=O)C1=NN(c2ccccc2)CC1=O)C1CC1 ZINC000831671947 594691526 /nfs/dbraw/zinc/69/15/26/594691526.db2.gz OQXLVQGPMYDUFM-UHFFFAOYSA-N -1 2 344.371 1.840 20 0 EDADLM COc1ncccc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832660220 594767429 /nfs/dbraw/zinc/76/74/29/594767429.db2.gz XZTYQHDILBIXLL-UHFFFAOYSA-N -1 2 343.748 1.638 20 0 EDADLM O=C([O-])Nc1ccc(C(=O)NCCCc2n[nH]c(=O)[nH]2)c(Cl)c1 ZINC000832833948 594779947 /nfs/dbraw/zinc/77/99/47/594779947.db2.gz ROLNMQRZXGFYFY-UHFFFAOYSA-N -1 2 339.739 1.616 20 0 EDADLM Cc1cc(C(=O)NCC2(C(=O)[O-])CCCC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000832862732 594781792 /nfs/dbraw/zinc/78/17/92/594781792.db2.gz FUOLGZLNSYCPCJ-UHFFFAOYSA-N -1 2 346.343 1.119 20 0 EDADLM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833033285 594792972 /nfs/dbraw/zinc/79/29/72/594792972.db2.gz AHYUBOQJGJGYNU-UHFFFAOYSA-N -1 2 346.411 1.716 20 0 EDADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833039976 594793359 /nfs/dbraw/zinc/79/33/59/594793359.db2.gz YEGZBUHPGDVBBF-UHFFFAOYSA-N -1 2 330.753 1.964 20 0 EDADLM NC(=O)Nc1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000833086099 594796793 /nfs/dbraw/zinc/79/67/93/594796793.db2.gz XAVCXQKOJFRQEX-UHFFFAOYSA-N -1 2 342.358 1.133 20 0 EDADLM O=C([O-])Cn1cnc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000833277546 594819341 /nfs/dbraw/zinc/81/93/41/594819341.db2.gz RSCHBYWWCXUDNE-AATRIKPKSA-N -1 2 342.764 1.429 20 0 EDADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(C2CC2)n[nH]1 ZINC000833318606 594826345 /nfs/dbraw/zinc/82/63/45/594826345.db2.gz RRMIWZHWDFZIDT-UHFFFAOYSA-N -1 2 325.321 1.925 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)nc1C ZINC000833683507 594905637 /nfs/dbraw/zinc/90/56/37/594905637.db2.gz RLWKIUBOWQUHQD-UHFFFAOYSA-N -1 2 344.418 1.486 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1cncs1)C(=O)[O-] ZINC000871772573 596693099 /nfs/dbraw/zinc/69/30/99/596693099.db2.gz QCNAEDSYRYUIKH-CAHLUQPWSA-N -1 2 332.325 1.009 20 0 EDADLM O=c1[nH]c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)nc2c1COCC2 ZINC000878381534 597598590 /nfs/dbraw/zinc/59/85/90/597598590.db2.gz QJZJGRQRQUWOKQ-GOSISDBHSA-N -1 2 345.374 1.488 20 0 EDADLM COC(=O)c1ccc(OC)c(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 ZINC000878549910 597631483 /nfs/dbraw/zinc/63/14/83/597631483.db2.gz MTKSGZAXGGZQMO-GFCCVEGCSA-N -1 2 347.371 1.950 20 0 EDADLM Cc1cc(Cl)ccc1S(=O)(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000037461788 600053258 /nfs/dbraw/zinc/05/32/58/600053258.db2.gz TZKIBWYIMRZUOK-UHFFFAOYSA-N -1 2 346.817 2.533 20 0 EDADLM COc1c(C)ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1C ZINC000319989173 600673679 /nfs/dbraw/zinc/67/36/79/600673679.db2.gz GHDMQNKCRZPFHE-UHFFFAOYSA-N -1 2 339.373 1.394 20 0 EDADLM CC(C)(C)OC(=O)NC(C(=O)[N-]OC1CCOCC1)C(F)(F)F ZINC000496904238 255439737 /nfs/dbraw/zinc/43/97/37/255439737.db2.gz UVYBDGXJSXOBHY-SECBINFHSA-N -1 2 342.314 1.669 20 0 EDADLM COCCn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000357552698 151065153 /nfs/dbraw/zinc/06/51/53/151065153.db2.gz YQAUFXXWPCLBBR-UHFFFAOYSA-N -1 2 325.346 1.029 20 0 EDADLM CCc1ccc(C(=O)N2CCC(N3CC[N@@H+](C)CC3=O)CC2)c(O)c1 ZINC000364279656 153194142 /nfs/dbraw/zinc/19/41/42/153194142.db2.gz HKIKHYIHGGZGMV-UHFFFAOYSA-N -1 2 345.443 1.333 20 0 EDADLM C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000408455856 158366483 /nfs/dbraw/zinc/36/64/83/158366483.db2.gz FQHXTGFGRYVRBY-XJFOESAGSA-N -1 2 336.436 1.848 20 0 EDADLM COc1cc(C)c(NS(=O)(=O)c2cn(C)nc2C)c(C(=O)[O-])c1 ZINC000287636932 288281499 /nfs/dbraw/zinc/28/14/99/288281499.db2.gz UGZJMUWUZRBNGK-UHFFFAOYSA-N -1 2 339.373 1.545 20 0 EDADLM O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)C2)o1 ZINC000295439727 303219537 /nfs/dbraw/zinc/21/95/37/303219537.db2.gz VLXDFMDKNOZOCO-SNVBAGLBSA-N -1 2 343.339 1.555 20 0 EDADLM O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3cc(=O)oc4cc(O)ccc34)C2)o1 ZINC000295439727 303219539 /nfs/dbraw/zinc/21/95/39/303219539.db2.gz VLXDFMDKNOZOCO-SNVBAGLBSA-N -1 2 343.339 1.555 20 0 EDADLM COc1cc(C)c(NS(=O)(=O)c2c[nH]nc2C)c(C(=O)[O-])c1 ZINC000547935025 306115382 /nfs/dbraw/zinc/11/53/82/306115382.db2.gz OMZFPYOJYCPLDG-UHFFFAOYSA-N -1 2 325.346 1.534 20 0 EDADLM Cc1noc(C)c1S(=O)(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000105549441 441258905 /nfs/dbraw/zinc/25/89/05/441258905.db2.gz CLWASSJRGNSQCV-QWRGUYRKSA-N -1 2 331.438 1.069 20 0 EDADLM COc1cc(F)c(S(=O)(=O)NCc2cn[nH]c2C)cc1OC ZINC000299263049 444000255 /nfs/dbraw/zinc/00/02/55/444000255.db2.gz YTXYPHIJZNHYNY-UHFFFAOYSA-N -1 2 329.353 1.353 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F ZINC000560416017 321027365 /nfs/dbraw/zinc/02/73/65/321027365.db2.gz RCCBUVCLBXXANR-NTSWFWBYSA-N -1 2 345.261 1.900 20 0 EDADLM Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)n1 ZINC000296765348 444253053 /nfs/dbraw/zinc/25/30/53/444253053.db2.gz PKGPCPBECFXPQN-NWDGAFQWSA-N -1 2 340.424 1.369 20 0 EDADLM CC(C)Oc1ncccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000314589083 444301308 /nfs/dbraw/zinc/30/13/08/444301308.db2.gz ATQXOAWBHAUVKG-UHFFFAOYSA-N -1 2 325.346 1.696 20 0 EDADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nn1C ZINC000324270650 444352566 /nfs/dbraw/zinc/35/25/66/444352566.db2.gz LDGDWMLQINOFRJ-UHFFFAOYSA-N -1 2 339.373 1.545 20 0 EDADLM COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000321269256 444335264 /nfs/dbraw/zinc/33/52/64/444335264.db2.gz VCAVZCDLUPGEFV-UHFFFAOYSA-N -1 2 339.325 1.874 20 0 EDADLM Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329554895 444627179 /nfs/dbraw/zinc/62/71/79/444627179.db2.gz GXMZVVGWPCFCTQ-AWEZNQCLSA-N -1 2 326.360 1.152 20 0 EDADLM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(C)n1 ZINC000356323372 445735273 /nfs/dbraw/zinc/73/52/73/445735273.db2.gz NFTBLMHMYMUFQB-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2C(=O)[O-])=N1 ZINC000583144234 326012173 /nfs/dbraw/zinc/01/21/73/326012173.db2.gz WZQFHMKLSHKUFB-CYBMUJFWSA-N -1 2 329.356 1.830 20 0 EDADLM Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NS(C)(=O)=O)C1 ZINC000365665283 446293174 /nfs/dbraw/zinc/29/31/74/446293174.db2.gz FMAQEYSWCGRGTJ-LLVKDONJSA-N -1 2 338.437 1.192 20 0 EDADLM C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371078102 446615238 /nfs/dbraw/zinc/61/52/38/446615238.db2.gz ZCCVQKGNOKZUAN-WOLBXUKWSA-N -1 2 346.475 1.963 20 0 EDADLM Cc1ccc(C(=O)N2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@@H]2C)c(O)c1 ZINC000368397339 446837141 /nfs/dbraw/zinc/83/71/41/446837141.db2.gz LTPQHZFVKSEWSF-JKSUJKDBSA-N -1 2 347.459 1.178 20 0 EDADLM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000390353177 447493762 /nfs/dbraw/zinc/49/37/62/447493762.db2.gz ZMRKHAHLVBGICV-UHFFFAOYSA-N -1 2 342.304 1.439 20 0 EDADLM O=C([O-])c1ccc(OCCNS(=O)(=O)CC(F)(F)F)cc1 ZINC000566559586 448508307 /nfs/dbraw/zinc/50/83/07/448508307.db2.gz LDQNQFZGTIFMLU-UHFFFAOYSA-N -1 2 327.280 1.245 20 0 EDADLM C[C@@H]1C[C@@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000647903329 452644400 /nfs/dbraw/zinc/64/44/00/452644400.db2.gz XHJPRVBVIGKOLQ-HTQZYQBOSA-N -1 2 338.355 1.332 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C(F)F ZINC000677550248 487117604 /nfs/dbraw/zinc/11/76/04/487117604.db2.gz CZKMDZFFCWPQJD-UHFFFAOYSA-N -1 2 331.300 1.857 20 0 EDADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(F)nc2)c1 ZINC000765139561 580135962 /nfs/dbraw/zinc/13/59/62/580135962.db2.gz FNFNOEMTIOHFLI-UHFFFAOYSA-N -1 2 326.305 1.734 20 0 EDADLM Cn1nc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1C(=O)[O-] ZINC000776426292 580416978 /nfs/dbraw/zinc/41/69/78/580416978.db2.gz HZNKJJDIYBIIIB-UHFFFAOYSA-N -1 2 349.324 1.026 20 0 EDADLM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000899828927 591953854 /nfs/dbraw/zinc/95/38/54/591953854.db2.gz BFRBFXKAGIHZLM-VHSXEESVSA-N -1 2 348.252 1.663 20 0 EDADLM O=C([O-])C(F)(F)CNS(=O)(=O)c1occc1Br ZINC000899932064 591986523 /nfs/dbraw/zinc/98/65/23/591986523.db2.gz ZNOVZQNCXWXULT-UHFFFAOYSA-N -1 2 334.094 1.040 20 0 EDADLM Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900812041 592133449 /nfs/dbraw/zinc/13/34/49/592133449.db2.gz QWZFQPUOAAFGQW-YPMHNXCESA-N -1 2 349.479 1.152 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@H]3C(=O)[O-])=N2)cc1 ZINC000820805369 593894539 /nfs/dbraw/zinc/89/45/39/593894539.db2.gz WMNZTAIXYPDTMF-LBPRGKRZSA-N -1 2 331.328 1.276 20 0 EDADLM Cc1n[nH]cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC000821107098 593966962 /nfs/dbraw/zinc/96/69/62/593966962.db2.gz UBRDPGWYIGTJEL-UHFFFAOYSA-N -1 2 332.341 1.765 20 0 EDADLM CCC[C@@](C)([NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1)C(=O)OC ZINC000825233267 594153219 /nfs/dbraw/zinc/15/32/19/594153219.db2.gz OVPDSMRRDXGWSB-MRXNPFEDSA-N -1 2 333.392 1.697 20 0 EDADLM C[C@@H]1CC/C(=C\C(=O)NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000828201569 594363897 /nfs/dbraw/zinc/36/38/97/594363897.db2.gz UNKJRFATFZTPHZ-KGOFQHAKSA-N -1 2 329.399 1.998 20 0 EDADLM CNC(=O)c1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000831016116 594538693 /nfs/dbraw/zinc/53/86/93/594538693.db2.gz UTJDQXPPHYEZQD-UHFFFAOYSA-N -1 2 341.370 1.002 20 0 EDADLM CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000831016101 594538756 /nfs/dbraw/zinc/53/87/56/594538756.db2.gz SICVDGPZGXTGSM-UHFFFAOYSA-N -1 2 340.382 1.607 20 0 EDADLM O=C(C[C@H]1CCCN1C(=O)[O-])Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000831339779 594610899 /nfs/dbraw/zinc/61/08/99/594610899.db2.gz LRIGBVHPXFVYFT-LLVKDONJSA-N -1 2 332.316 1.501 20 0 EDADLM Cc1ccc(S(=O)(=O)Nc2ccc(N(C)C)cn2)cc1C(=O)[O-] ZINC000832955769 594787217 /nfs/dbraw/zinc/78/72/17/594787217.db2.gz BLRWVGBYGSOASX-UHFFFAOYSA-N -1 2 335.385 1.955 20 0 EDADLM O=C([O-])c1sccc1NS(=O)(=O)c1cccc2nonc21 ZINC000833348489 594832221 /nfs/dbraw/zinc/83/22/21/594832221.db2.gz WQPKDXFAABEDNB-UHFFFAOYSA-N -1 2 325.327 1.783 20 0 EDADLM CCOc1ccc(S(=O)(=O)NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)cn1 ZINC000863958159 596730512 /nfs/dbraw/zinc/73/05/12/596730512.db2.gz NMAXXZDQLBYLDU-NSHDSACASA-N -1 2 344.389 1.032 20 0 EDADLM O=C([O-])[C@H](C(=O)NS(=O)(=O)c1cnc2ccccc2c1)C1CC1 ZINC000863959610 596731773 /nfs/dbraw/zinc/73/17/73/596731773.db2.gz KNXZGVJBVBZOHJ-ZDUSSCGKSA-N -1 2 334.353 1.151 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(O)c1 ZINC000442853866 539337475 /nfs/dbraw/zinc/33/74/75/539337475.db2.gz MYMGYHNGPBZMSD-UHFFFAOYSA-N -1 2 339.325 1.605 20 0 EDADLM CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3nnc(C4CC4)o3)CC2)n1 ZINC000562543300 306301702 /nfs/dbraw/zinc/30/17/02/306301702.db2.gz STQCRVRBBRSKTK-UHFFFAOYSA-N -1 2 346.391 1.621 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000274869800 540057663 /nfs/dbraw/zinc/05/76/63/540057663.db2.gz ALDSTURJTYVLCH-OIBJUYFYSA-N -1 2 341.307 1.258 20 0 EDADLM O=C([O-])C[C@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)C(F)F ZINC000564203920 306356723 /nfs/dbraw/zinc/35/67/23/306356723.db2.gz MXPDIRRZHHGAOM-RXMQYKEDSA-N -1 2 347.261 1.738 20 0 EDADLM Cc1cc(C(=O)NC(C)(C)CCC(=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000262904045 139311784 /nfs/dbraw/zinc/31/17/84/139311784.db2.gz QOQRRWXMTNIDHF-UHFFFAOYSA-N -1 2 334.332 1.118 20 0 EDADLM CC(C)OCCO[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000495853455 255331700 /nfs/dbraw/zinc/33/17/00/255331700.db2.gz HUYQMRORHKOVBL-SECBINFHSA-N -1 2 344.330 1.915 20 0 EDADLM COCCCO[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000496473854 255396218 /nfs/dbraw/zinc/39/62/18/255396218.db2.gz BPLHMZRZTBLVSD-MRVPVSSYSA-N -1 2 330.303 1.526 20 0 EDADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cccs1)OCO2 ZINC000354975763 150061360 /nfs/dbraw/zinc/06/13/60/150061360.db2.gz LIKZULZIOYIPQM-UHFFFAOYSA-N -1 2 327.339 1.976 20 0 EDADLM O=C([O-])[C@]12CCC[C@@H]1CN(C(=O)c1csc(-c3cnccn3)n1)C2 ZINC000374096070 157141497 /nfs/dbraw/zinc/14/14/97/157141497.db2.gz WODZSSLREHOANG-HWPZZCPQSA-N -1 2 344.396 1.927 20 0 EDADLM Cc1nn(C)cc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000352443514 162184885 /nfs/dbraw/zinc/18/48/85/162184885.db2.gz MBHMWNMCPCSXQV-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000436784319 305167050 /nfs/dbraw/zinc/16/70/50/305167050.db2.gz KYCQVETZRFDING-UHFFFAOYSA-N -1 2 339.373 1.550 20 0 EDADLM CC(C)Cn1cc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)cn1 ZINC000290458566 444283620 /nfs/dbraw/zinc/28/36/20/444283620.db2.gz DZSDZMJFGWOQPI-UHFFFAOYSA-N -1 2 337.401 1.967 20 0 EDADLM CC(=O)Nc1ncc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000339203961 445088168 /nfs/dbraw/zinc/08/81/68/445088168.db2.gz NSVIVLAVLKAXKH-UHFFFAOYSA-N -1 2 341.370 1.601 20 0 EDADLM COc1cc(F)c(F)cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000357328967 445551035 /nfs/dbraw/zinc/55/10/35/445551035.db2.gz KSJQYHIMNYHXBZ-UHFFFAOYSA-N -1 2 332.284 1.801 20 0 EDADLM O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000361996284 446137302 /nfs/dbraw/zinc/13/73/02/446137302.db2.gz LUEJBUIAHFYKNG-UHFFFAOYSA-N -1 2 341.776 1.982 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)c[nH]1 ZINC000523728714 447904868 /nfs/dbraw/zinc/90/48/68/447904868.db2.gz CDTRATDEZCQEDP-UHFFFAOYSA-N -1 2 346.368 1.759 20 0 EDADLM COc1ccc2c(c1)[nH]cc(C(=O)N(CC(=O)[O-])CC1CC1)c2=O ZINC000653462163 451969273 /nfs/dbraw/zinc/96/92/73/451969273.db2.gz UAVSGLGHODFBJH-UHFFFAOYSA-N -1 2 330.340 1.474 20 0 EDADLM CC(C)(C)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)[nH]n1 ZINC000675550061 487421663 /nfs/dbraw/zinc/42/16/63/487421663.db2.gz ZXIMCVQGACFGDV-UHFFFAOYSA-N -1 2 339.373 1.912 20 0 EDADLM O=C([O-])N[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000740568326 579361980 /nfs/dbraw/zinc/36/19/80/579361980.db2.gz DYGBJYYWXMNQRY-CMPLNLGQSA-N -1 2 346.343 1.795 20 0 EDADLM CCC[C@H]([NH2+]Cc1cnc2c(-c3nn[nH]n3)cnn2c1)c1ccccn1 ZINC000736435739 578988771 /nfs/dbraw/zinc/98/87/71/578988771.db2.gz LJVGATMCGFEXQU-AWEZNQCLSA-N -1 2 349.402 1.935 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccn(Cc3ccccn3)n2)c[nH]1 ZINC000751280625 579800298 /nfs/dbraw/zinc/80/02/98/579800298.db2.gz VIZFHJKRDDAFBS-UHFFFAOYSA-N -1 2 347.356 1.154 20 0 EDADLM O=C1NC(=O)C2(C[NH+](Cc3ccccc3OCc3ccccc3)C2)N1 ZINC000897908680 591717719 /nfs/dbraw/zinc/71/77/19/591717719.db2.gz YSFXGNVAIJDSGQ-UHFFFAOYSA-N -1 2 337.379 1.659 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC3CC2(C(=O)[O-])C3)=N1 ZINC000909946414 592728673 /nfs/dbraw/zinc/72/86/73/592728673.db2.gz AQUDBGMZUDHCHI-UHFFFAOYSA-N -1 2 345.330 1.715 20 0 EDADLM COCCn1cc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000737827283 592953927 /nfs/dbraw/zinc/95/39/27/592953927.db2.gz TYPKNQYAAHCYKR-UHFFFAOYSA-N -1 2 343.336 1.168 20 0 EDADLM C[C@@H]1CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1n1cc[nH+]c1 ZINC000820716662 593869950 /nfs/dbraw/zinc/86/99/50/593869950.db2.gz KGEKANCUTVRIDJ-IUODEOHRSA-N -1 2 337.387 1.787 20 0 EDADLM Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000822477568 594054453 /nfs/dbraw/zinc/05/44/53/594054453.db2.gz MOURFLWXLUUDRD-UHFFFAOYSA-N -1 2 335.331 1.336 20 0 EDADLM Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000822649492 594079286 /nfs/dbraw/zinc/07/92/86/594079286.db2.gz DDUDHNNMWSIVDG-UHFFFAOYSA-N -1 2 334.343 1.848 20 0 EDADLM C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000825832030 594257912 /nfs/dbraw/zinc/25/79/12/594257912.db2.gz PMJQWOHOQAFYLA-BXKDBHETSA-N -1 2 346.343 1.291 20 0 EDADLM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ncc(C)o2)c1 ZINC000831243228 594590502 /nfs/dbraw/zinc/59/05/02/594590502.db2.gz YBGBNKQYCFVZHW-UHFFFAOYSA-N -1 2 340.313 1.269 20 0 EDADLM O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000832288199 594740549 /nfs/dbraw/zinc/74/05/49/594740549.db2.gz SGLHHCMBWIYWCA-GXSJLCMTSA-N -1 2 332.316 1.405 20 0 EDADLM O=C([O-])c1ccnc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000833335377 594829285 /nfs/dbraw/zinc/82/92/85/594829285.db2.gz UXGOSWODUSVZLU-UHFFFAOYSA-N -1 2 334.309 1.251 20 0 EDADLM CC(C)(C)c1nc(NS(=O)(=O)c2csnc2C(=O)[O-])no1 ZINC000833450699 594850028 /nfs/dbraw/zinc/85/00/28/594850028.db2.gz IYKUJSBKGJCFAB-UHFFFAOYSA-N -1 2 332.363 1.323 20 0 EDADLM C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833516024 594863798 /nfs/dbraw/zinc/86/37/98/594863798.db2.gz POTNFOOFHHLXRU-VIFPVBQESA-N -1 2 336.373 1.748 20 0 EDADLM CCn1cc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])cn1 ZINC000833681532 594904790 /nfs/dbraw/zinc/90/47/90/594904790.db2.gz COTKCHITUWPPHM-UHFFFAOYSA-N -1 2 346.368 1.950 20 0 EDADLM CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)N=[S@@](C)(=O)CC ZINC000866783669 596343095 /nfs/dbraw/zinc/34/30/95/596343095.db2.gz QSFKORAPNOVQDR-BUXKBTBVSA-N -1 2 325.500 1.203 20 0 EDADLM CC(C)Oc1cncc(S(=O)(=O)NC(=O)CCCCC(=O)[O-])c1 ZINC000863963691 596734709 /nfs/dbraw/zinc/73/47/09/596734709.db2.gz DVSICMZXBAWFCF-UHFFFAOYSA-N -1 2 344.389 1.319 20 0 EDADLM O=C(NCCc1csc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1)C(F)(F)F ZINC000864367289 596871883 /nfs/dbraw/zinc/87/18/83/596871883.db2.gz RUGNIRWSGHJZGF-MNOVXSKESA-N -1 2 349.378 1.900 20 0 EDADLM CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872487126 596932184 /nfs/dbraw/zinc/93/21/84/596932184.db2.gz LAMPLZAZLMHBTH-YUNKPMOVSA-N -1 2 339.527 1.592 20 0 EDADLM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C(N)=O ZINC000738632756 600099926 /nfs/dbraw/zinc/09/99/26/600099926.db2.gz KJYTYVNUNFHHHL-UHFFFAOYSA-N -1 2 340.382 1.654 20 0 EDADLM CC(C)(C)OC(=O)NC(C(=O)[N-]O[C@@H]1CCOC1)C(F)(F)F ZINC000496376728 255388910 /nfs/dbraw/zinc/38/89/10/255388910.db2.gz BRDONAOSFUKDOB-HTQZYQBOSA-N -1 2 328.287 1.279 20 0 EDADLM CCOC(=O)c1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000357545189 151062642 /nfs/dbraw/zinc/06/26/42/151062642.db2.gz YPBSQDBAPYNBSV-UHFFFAOYSA-N -1 2 338.341 1.690 20 0 EDADLM CCCn1[nH]ccc1=NC(=O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000374619224 157347184 /nfs/dbraw/zinc/34/71/84/157347184.db2.gz JHOPIRFWWIJHJF-OTUOZYHDSA-N -1 2 328.416 1.637 20 0 EDADLM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cncnc3)c1)CCCC2 ZINC000274299701 273083225 /nfs/dbraw/zinc/08/32/25/273083225.db2.gz SHAYZMNDQNRRSS-UHFFFAOYSA-N -1 2 333.369 1.854 20 0 EDADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cnn(C(F)F)c2)c1 ZINC000436679830 305165171 /nfs/dbraw/zinc/16/51/71/305165171.db2.gz MDKHYBFSXBPFEQ-UHFFFAOYSA-N -1 2 347.299 1.791 20 0 EDADLM CC(=O)c1ccc(O)c([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000436936695 305170446 /nfs/dbraw/zinc/17/04/46/305170446.db2.gz CEMOIWBCDAAQSL-UHFFFAOYSA-N -1 2 341.307 1.915 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)cc1C(=O)[O-] ZINC000414186177 319318003 /nfs/dbraw/zinc/31/80/03/319318003.db2.gz PCTMSDNPJCQCBU-UHFFFAOYSA-N -1 2 339.373 1.972 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cn1 ZINC000269581633 443354843 /nfs/dbraw/zinc/35/48/43/443354843.db2.gz BGIVSXFJQNDITO-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)n1 ZINC000296765354 444252769 /nfs/dbraw/zinc/25/27/69/444252769.db2.gz PKGPCPBECFXPQN-RYUDHWBXSA-N -1 2 340.424 1.369 20 0 EDADLM NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000320923528 444333589 /nfs/dbraw/zinc/33/35/89/444333589.db2.gz HZYSYHPCQUIPIH-UHFFFAOYSA-N -1 2 338.316 1.424 20 0 EDADLM Cn1nccc1S(=O)(=O)Nc1ccc2c(C(=O)[O-])c[nH]c(=O)c2c1 ZINC000580152848 322014964 /nfs/dbraw/zinc/01/49/64/322014964.db2.gz WEMYZLJGONNHHS-UHFFFAOYSA-N -1 2 348.340 1.173 20 0 EDADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C ZINC000362428478 445377559 /nfs/dbraw/zinc/37/75/59/445377559.db2.gz AIDRZTFNNVIKKT-UHFFFAOYSA-N -1 2 339.373 1.165 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(C)o1 ZINC000350728265 445890438 /nfs/dbraw/zinc/89/04/38/445890438.db2.gz APKCTRRTSFHHTJ-UHFFFAOYSA-N -1 2 339.325 1.874 20 0 EDADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000361971014 446117393 /nfs/dbraw/zinc/11/73/93/446117393.db2.gz KDCRQBBDPWVGBH-UHFFFAOYSA-N -1 2 325.321 1.467 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000551997040 447924109 /nfs/dbraw/zinc/92/41/09/447924109.db2.gz IEVVDNBDHSGNQL-CRCLSJGQSA-N -1 2 331.234 1.510 20 0 EDADLM CCOc1cccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1 ZINC000574440388 448874630 /nfs/dbraw/zinc/87/46/30/448874630.db2.gz CATSZCPIOXKQTB-UHFFFAOYSA-N -1 2 325.346 1.318 20 0 EDADLM C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000521672270 449008248 /nfs/dbraw/zinc/00/82/48/449008248.db2.gz LUJGMBXDQVWUJL-PHIMTYICSA-N -1 2 345.403 1.429 20 0 EDADLM C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000645600531 452583950 /nfs/dbraw/zinc/58/39/50/452583950.db2.gz OKOVVQUTLSXDMU-SKDRFNHKSA-N -1 2 349.378 1.861 20 0 EDADLM CCc1c[nH+]ccc1NC(=O)CSc1ccc(-c2nn[nH]n2)cc1 ZINC000736702274 579013591 /nfs/dbraw/zinc/01/35/91/579013591.db2.gz NRAIBRWNYQEDPJ-UHFFFAOYSA-N -1 2 340.412 1.977 20 0 EDADLM COCc1csc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n1 ZINC000737834469 579131927 /nfs/dbraw/zinc/13/19/27/579131927.db2.gz BTYALVLWQILBOD-UHFFFAOYSA-N -1 2 346.386 1.998 20 0 EDADLM O=C(Nn1c(=O)[n-][nH]c1=O)c1csc(Cc2cccc(F)c2)n1 ZINC000820292565 593806987 /nfs/dbraw/zinc/80/69/87/593806987.db2.gz UHPPNUYWTQYJOH-UHFFFAOYSA-N -1 2 335.320 1.260 20 0 EDADLM c1cc(-c2nn[nH]n2)oc1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000823766804 593854119 /nfs/dbraw/zinc/85/41/19/593854119.db2.gz JYCBOMCHISUPOZ-UHFFFAOYSA-N -1 2 327.344 1.911 20 0 EDADLM C[N@H+](Cc1ccoc1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821615925 593881875 /nfs/dbraw/zinc/88/18/75/593881875.db2.gz UWURGHFFNAZAEM-HNNXBMFYSA-N -1 2 338.371 1.697 20 0 EDADLM C[N@@H+](Cc1ccoc1)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821615925 593881877 /nfs/dbraw/zinc/88/18/77/593881877.db2.gz UWURGHFFNAZAEM-HNNXBMFYSA-N -1 2 338.371 1.697 20 0 EDADLM CCOCC[NH+]1CCN(c2[nH+]c(C)cc(C)c2-c2nn[nH]n2)CC1 ZINC000821378161 594032624 /nfs/dbraw/zinc/03/26/24/594032624.db2.gz KDJKFEINAQKSOK-UHFFFAOYSA-N -1 2 331.424 1.037 20 0 EDADLM C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2c(O)cc(F)cc2F)CCO1 ZINC000825328997 594168081 /nfs/dbraw/zinc/16/80/81/594168081.db2.gz XYYJKKKJVWYLHF-RDDDGLTNSA-N -1 2 330.287 1.168 20 0 EDADLM CCn1cc(NS(=O)(=O)c2sc(C(=O)[O-])cc2OC)cn1 ZINC000830424335 594393968 /nfs/dbraw/zinc/39/39/68/594393968.db2.gz QVZIKSSVWYPYRI-UHFFFAOYSA-N -1 2 331.375 1.472 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CC[C@@H](N(C)C(=O)[O-])C3)c[nH]c2n1 ZINC000830437873 594395902 /nfs/dbraw/zinc/39/59/02/594395902.db2.gz CASPWBDGMVRQBM-SNVBAGLBSA-N -1 2 330.344 1.468 20 0 EDADLM O=C([O-])N1CC[C@](F)(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000831909368 594710862 /nfs/dbraw/zinc/71/08/62/594710862.db2.gz YXNYZBPREYMOGX-CQSZACIVSA-N -1 2 336.279 1.060 20 0 EDADLM COc1ncc(C)cc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000832654117 594766914 /nfs/dbraw/zinc/76/69/14/594766914.db2.gz IKYDVYQGWBCARI-UHFFFAOYSA-N -1 2 338.341 1.603 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)S1 ZINC000833089772 594797071 /nfs/dbraw/zinc/79/70/71/594797071.db2.gz XXJVWQXDVWMCHA-QMMMGPOBSA-N -1 2 326.309 1.411 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)S1 ZINC000833089772 594797072 /nfs/dbraw/zinc/79/70/72/594797072.db2.gz XXJVWQXDVWMCHA-QMMMGPOBSA-N -1 2 326.309 1.411 20 0 EDADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2ccccc2F)s1 ZINC000833232094 594810370 /nfs/dbraw/zinc/81/03/70/594810370.db2.gz KXXAFHPNIYSJTD-UHFFFAOYSA-N -1 2 345.377 1.885 20 0 EDADLM CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)[nH]1 ZINC000852060359 596026939 /nfs/dbraw/zinc/02/69/39/596026939.db2.gz DFHCUTZTCCABCF-ZJUUUORDSA-N -1 2 333.358 1.819 20 0 EDADLM CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)[nH]1 ZINC000852060359 596026944 /nfs/dbraw/zinc/02/69/44/596026944.db2.gz DFHCUTZTCCABCF-ZJUUUORDSA-N -1 2 333.358 1.819 20 0 EDADLM O=C([O-])c1cc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)ccc1Cl ZINC000738482931 600150812 /nfs/dbraw/zinc/15/08/12/600150812.db2.gz OOYIWEBMGNZMQK-UHFFFAOYSA-N -1 2 347.718 1.062 20 0 EDADLM C[C@@H]1C[N@H+](Cc2ncnn2C)CC[C@H]1NC(=O)c1ccccc1O ZINC000941837171 701902647 /nfs/dbraw/zinc/90/26/47/701902647.db2.gz QEABNLNYYXPBGP-TZMCWYRMSA-N -1 2 329.404 1.161 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000274869797 540057283 /nfs/dbraw/zinc/05/72/83/540057283.db2.gz ALDSTURJTYVLCH-GMSGAONNSA-N -1 2 341.307 1.258 20 0 EDADLM Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000227864473 139022659 /nfs/dbraw/zinc/02/26/59/139022659.db2.gz LQUUDFKVPDMPNN-UHFFFAOYSA-N -1 2 329.765 1.501 20 0 EDADLM CCOCCO[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000496159600 255359082 /nfs/dbraw/zinc/35/90/82/255359082.db2.gz PEUIBHHHEINIBB-MRVPVSSYSA-N -1 2 330.303 1.526 20 0 EDADLM CCn1nc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1C1CC1 ZINC000267474986 139621717 /nfs/dbraw/zinc/62/17/17/139621717.db2.gz RUSPEYKYNAKYCA-UHFFFAOYSA-N -1 2 338.389 1.618 20 0 EDADLM Cc1nc(=N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)s[nH]1 ZINC000416446664 304319554 /nfs/dbraw/zinc/31/95/54/304319554.db2.gz QEXKWCFWQKESPU-NEPJUHHUSA-N -1 2 332.385 1.107 20 0 EDADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c2n[nH]cc21 ZINC000345506278 143099652 /nfs/dbraw/zinc/09/96/52/143099652.db2.gz NRVMBWBBYWNCGI-UHFFFAOYSA-N -1 2 334.357 1.709 20 0 EDADLM O=C([O-])Cc1cccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1 ZINC000357116084 150928852 /nfs/dbraw/zinc/92/88/52/150928852.db2.gz BIFRTXOBVAYGCF-UHFFFAOYSA-N -1 2 345.327 1.576 20 0 EDADLM CCOC(=O)c1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)[nH]n1 ZINC000547302678 306098162 /nfs/dbraw/zinc/09/81/62/306098162.db2.gz OECQUHPXOQDKGA-UHFFFAOYSA-N -1 2 345.358 1.147 20 0 EDADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 ZINC000029834954 441475596 /nfs/dbraw/zinc/47/55/96/441475596.db2.gz ULAREGMEULHIRV-UHFFFAOYSA-N -1 2 340.338 1.682 20 0 EDADLM O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cncc(O)c1 ZINC000109042820 441485784 /nfs/dbraw/zinc/48/57/84/441485784.db2.gz XRCAJCCWLOPMTB-UHFFFAOYSA-N -1 2 327.384 1.549 20 0 EDADLM NC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000029323360 441456244 /nfs/dbraw/zinc/45/62/44/441456244.db2.gz RPNNCEQGQIRNOH-UHFFFAOYSA-N -1 2 341.370 1.738 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cn1 ZINC000269620432 443368058 /nfs/dbraw/zinc/36/80/58/443368058.db2.gz MYHGKASTCUMOBH-UHFFFAOYSA-N -1 2 339.373 1.337 20 0 EDADLM O=C([O-])[C@@H](CNS(=O)(=O)CC(F)(F)F)Oc1ccc(F)cc1 ZINC000562382735 321054745 /nfs/dbraw/zinc/05/47/45/321054745.db2.gz LWKPDAYJKIPBMP-SECBINFHSA-N -1 2 345.270 1.139 20 0 EDADLM COC1CC(CC(=O)[O-])N(S(=O)(=O)CC23CCC(CC2)CC3)C1 ZINC000563078512 321094531 /nfs/dbraw/zinc/09/45/31/321094531.db2.gz CXOIMRGLEVISOZ-IOSBVQAASA-N -1 2 345.461 1.851 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N[C@H](C(=O)[O-])C(C)C)=N1 ZINC000564968907 321161233 /nfs/dbraw/zinc/16/12/33/321161233.db2.gz NDCCAVZNQRPQJF-AWEZNQCLSA-N -1 2 331.372 1.979 20 0 EDADLM O=C([O-])CCCS(=O)(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000567799014 321258285 /nfs/dbraw/zinc/25/82/85/321258285.db2.gz ZGFHGSQNEFKORH-NSHDSACASA-N -1 2 339.335 1.944 20 0 EDADLM COc1cc(C(=O)[O-])cc(NC(=O)c2ccc3[nH]nnc3c2)c1OC ZINC000362694541 445503946 /nfs/dbraw/zinc/50/39/46/445503946.db2.gz PLDIZSPZPKMCSY-UHFFFAOYSA-N -1 2 342.311 1.926 20 0 EDADLM COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000359126245 445966113 /nfs/dbraw/zinc/96/61/13/445966113.db2.gz MPCDIPJFJNHHNN-BXKDBHETSA-N -1 2 332.360 1.088 20 0 EDADLM C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000645600524 452583754 /nfs/dbraw/zinc/58/37/54/452583754.db2.gz OKOVVQUTLSXDMU-CABZTGNLSA-N -1 2 349.378 1.861 20 0 EDADLM Cc1c(NS(=O)(=O)c2cnn3c2OCCC3)cccc1C(=O)[O-] ZINC000647923189 452661837 /nfs/dbraw/zinc/66/18/37/452661837.db2.gz IOYOOXUTXZLMJL-UHFFFAOYSA-N -1 2 337.357 1.473 20 0 EDADLM CCOc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000737211247 579056856 /nfs/dbraw/zinc/05/68/56/579056856.db2.gz YXRMXZLTAPLGAU-UHFFFAOYSA-N -1 2 325.346 1.167 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)s1 ZINC000740188050 579298437 /nfs/dbraw/zinc/29/84/37/579298437.db2.gz ZVXFYEZREURLLK-UHFFFAOYSA-N -1 2 325.371 1.915 20 0 EDADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cnn(CCO)c2)c1 ZINC000751272363 579799915 /nfs/dbraw/zinc/79/99/15/579799915.db2.gz URDNRSCRCGSNSI-UHFFFAOYSA-N -1 2 345.764 1.028 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)=N1 ZINC000910136460 592772474 /nfs/dbraw/zinc/77/24/74/592772474.db2.gz ZPUGYESPZZMLAX-CQSZACIVSA-N -1 2 347.346 1.635 20 0 EDADLM Cc1sc(NC(=O)C[N@@H+](C)[C@H]2CCOC2)c(-c2nn[nH]n2)c1C ZINC000822559042 594066825 /nfs/dbraw/zinc/06/68/25/594066825.db2.gz UYJIMQGZMUVPDF-JTQLQIEISA-N -1 2 336.421 1.204 20 0 EDADLM Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCOC2)c(-c2nn[nH]n2)c1C ZINC000822559042 594066827 /nfs/dbraw/zinc/06/68/27/594066827.db2.gz UYJIMQGZMUVPDF-JTQLQIEISA-N -1 2 336.421 1.204 20 0 EDADLM C[C@@H](COC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)NC(=O)[O-] ZINC000824995418 594112341 /nfs/dbraw/zinc/11/23/41/594112341.db2.gz OBMQPKZNSWFGQY-ZETCQYMHSA-N -1 2 337.357 1.035 20 0 EDADLM CCn1nc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)c1C ZINC000830440685 594396331 /nfs/dbraw/zinc/39/63/31/594396331.db2.gz GXOBRKMKQTWWQE-UHFFFAOYSA-N -1 2 326.378 1.357 20 0 EDADLM CC(C)(C)c1nnc(NS(=O)(=O)c2csnc2C(=O)[O-])s1 ZINC000826528280 594520017 /nfs/dbraw/zinc/52/00/17/594520017.db2.gz SXXMQHSZPUHOKC-UHFFFAOYSA-N -1 2 348.431 1.791 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2cccc3c2CCN3C(=O)[O-])S1 ZINC000831238975 594588885 /nfs/dbraw/zinc/58/88/85/594588885.db2.gz CAHPMOANWAWEFQ-JTQLQIEISA-N -1 2 334.357 1.222 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)Nc2cccc3c2CCN3C(=O)[O-])S1 ZINC000831238975 594588888 /nfs/dbraw/zinc/58/88/88/594588888.db2.gz CAHPMOANWAWEFQ-JTQLQIEISA-N -1 2 334.357 1.222 20 0 EDADLM CCCc1nnc(NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])s1 ZINC000829574264 594643400 /nfs/dbraw/zinc/64/34/00/594643400.db2.gz UPUBBJQVPGJZKT-UHFFFAOYSA-N -1 2 331.379 1.021 20 0 EDADLM O=C([O-])NC[C@@H]1CCCCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000832526922 594756415 /nfs/dbraw/zinc/75/64/15/594756415.db2.gz CIGHUTBPSMDBPD-ZDUSSCGKSA-N -1 2 344.371 1.840 20 0 EDADLM COc1cccnc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832632592 594765478 /nfs/dbraw/zinc/76/54/78/594765478.db2.gz JJJWTSFIFFCIPA-RMKNXTFCSA-N -1 2 334.353 1.989 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccnn2C2CCCC2)cn1 ZINC000833273929 594818196 /nfs/dbraw/zinc/81/81/96/594818196.db2.gz LHEQKMBBNRYKPM-UHFFFAOYSA-N -1 2 339.377 1.080 20 0 EDADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(-c3cccnc3)[nH]n2)c1 ZINC000833334939 594829224 /nfs/dbraw/zinc/82/92/24/594829224.db2.gz VASJPKWJUBQVBV-UHFFFAOYSA-N -1 2 344.352 1.971 20 0 EDADLM O=C([O-])c1nscc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000833345770 594831037 /nfs/dbraw/zinc/83/10/37/594831037.db2.gz GDKIHMRQOLRHKT-UHFFFAOYSA-N -1 2 347.399 1.171 20 0 EDADLM C[C@@]1(C(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])CCCOC1 ZINC000833552717 594872247 /nfs/dbraw/zinc/87/22/47/594872247.db2.gz IFXUSPRQWYVUCZ-GFCCVEGCSA-N -1 2 333.387 1.068 20 0 EDADLM O=C([O-])Nc1ccc(NS(=O)(=O)c2cn3c(n2)CCCC3)cn1 ZINC000834261994 595073127 /nfs/dbraw/zinc/07/31/27/595073127.db2.gz KCYQYVPBCOCUBI-UHFFFAOYSA-N -1 2 337.361 1.505 20 0 EDADLM C[C@@]1(C(=O)[O-])CCN(c2cc(N3CC[C@](C)(C(=O)[O-])C3)nc[nH+]2)C1 ZINC000852908167 595609896 /nfs/dbraw/zinc/60/98/96/595609896.db2.gz DKZJJHAUCWXGEL-IYBDPMFKSA-N -1 2 334.376 1.079 20 0 EDADLM C[C@@]1(C(=O)[O-])CCN(c2cc(N3CC[C@](C)(C(=O)[O-])C3)[nH+]cn2)C1 ZINC000852908167 595609898 /nfs/dbraw/zinc/60/98/98/595609898.db2.gz DKZJJHAUCWXGEL-IYBDPMFKSA-N -1 2 334.376 1.079 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c(C)s1 ZINC000863953849 596727849 /nfs/dbraw/zinc/72/78/49/596727849.db2.gz AXHGBCXHAZWMIT-ZJUUUORDSA-N -1 2 331.415 1.671 20 0 EDADLM CCc1nc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)sc1C ZINC000048445615 600827112 /nfs/dbraw/zinc/82/71/12/600827112.db2.gz SVSDEMPYLKUPGX-UHFFFAOYSA-N -1 2 329.403 1.851 20 0 EDADLM CC(C)CC(=O)N1C[C@@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C(C)(C)C1 ZINC000995365797 698554906 /nfs/dbraw/zinc/55/49/06/698554906.db2.gz NEWCRDLMNSXJSY-CQSZACIVSA-N -1 2 345.447 1.395 20 0 EDADLM Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)c2cnc[nH]c2=O)n1 ZINC001004882807 707531635 /nfs/dbraw/zinc/53/16/35/707531635.db2.gz JLBLZUDKNMNYQI-GWCFXTLKSA-N -1 2 346.391 1.047 20 0 EDADLM Cc1nc[nH]c(=O)c1C(=O)NC1CC[NH+](Cc2nccs2)CC1 ZINC001003475204 710369068 /nfs/dbraw/zinc/36/90/68/710369068.db2.gz NEZJDQORHUCXKH-UHFFFAOYSA-N -1 2 333.417 1.342 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c(Cl)c1 ZINC000558038859 306235299 /nfs/dbraw/zinc/23/52/99/306235299.db2.gz NHCKXHGYSBLDKT-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Br)s2)C1 ZINC000042375439 204091401 /nfs/dbraw/zinc/09/14/01/204091401.db2.gz TYTRZXHOSGMQLP-ZETCQYMHSA-N -1 2 325.253 1.493 20 0 EDADLM Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)o2)cc1 ZINC000333101485 141264066 /nfs/dbraw/zinc/26/40/66/141264066.db2.gz CVLGQNSDFKWQAG-KRWDZBQOSA-N -1 2 341.371 1.219 20 0 EDADLM Cc1cc(C(=O)NCCCCCC(=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000355254585 150188069 /nfs/dbraw/zinc/18/80/69/150188069.db2.gz QJBCUWUGTPPMAT-UHFFFAOYSA-N -1 2 334.332 1.119 20 0 EDADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1c(C)c(F)ccc1C(=O)[O-] ZINC000274854948 268223825 /nfs/dbraw/zinc/22/38/25/268223825.db2.gz YNPTVJMQJSNWAC-UHFFFAOYSA-N -1 2 341.364 1.983 20 0 EDADLM Cc1ccc(O)c(CNc2cccc(C[N@H+]3CCNC(=O)C3)c2)n1 ZINC000291107349 289002037 /nfs/dbraw/zinc/00/20/37/289002037.db2.gz SGXGADUIKISMDL-UHFFFAOYSA-N -1 2 326.400 1.640 20 0 EDADLM CCC(=O)c1ccc(O)c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000436605464 305162091 /nfs/dbraw/zinc/16/20/91/305162091.db2.gz KWWMGINLTCRZFA-UHFFFAOYSA-N -1 2 338.341 1.812 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc3c[nH]nc32)c1 ZINC000436893238 305168887 /nfs/dbraw/zinc/16/88/87/305168887.db2.gz NJPXOZVWRXJSJD-UHFFFAOYSA-N -1 2 333.325 1.768 20 0 EDADLM O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1=NN(c2ccccc2)CC1=O ZINC000175346377 442045595 /nfs/dbraw/zinc/04/55/95/442045595.db2.gz VERZDMGHSMSHFI-CYBMUJFWSA-N -1 2 326.400 1.792 20 0 EDADLM O=c1nc([C@@H]2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)C2)[nH][nH]1 ZINC000289439228 444144755 /nfs/dbraw/zinc/14/47/55/444144755.db2.gz OHGCFTURDXPLEB-SNVBAGLBSA-N -1 2 332.795 1.779 20 0 EDADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CNC2=O ZINC000340974899 444610290 /nfs/dbraw/zinc/61/02/90/444610290.db2.gz LELWMJQWAAQPER-UHFFFAOYSA-N -1 2 336.325 1.330 20 0 EDADLM COCCn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000339075060 445021270 /nfs/dbraw/zinc/02/12/70/445021270.db2.gz KOINQBCJMPLSHL-UHFFFAOYSA-N -1 2 343.336 1.168 20 0 EDADLM Cc1c(O)ccc2c(C[N@H+]3CC[C@H]4CCOC(=O)[C@@H]43)cc(=O)oc12 ZINC000373449459 446221851 /nfs/dbraw/zinc/22/18/51/446221851.db2.gz UZZVFNMFSVYMAU-MEDUHNTESA-N -1 2 329.352 1.944 20 0 EDADLM COCCn1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000362308136 446314599 /nfs/dbraw/zinc/31/45/99/446314599.db2.gz FQTVOHCBBQSPSE-UHFFFAOYSA-N -1 2 343.336 1.168 20 0 EDADLM COc1ccc2c(c1)[nH]cc(C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c2=O ZINC000567862869 448776575 /nfs/dbraw/zinc/77/65/75/448776575.db2.gz YXXCQVORCWYRSF-QGZVFWFLSA-N -1 2 330.340 1.474 20 0 EDADLM COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000610421038 450212211 /nfs/dbraw/zinc/21/22/11/450212211.db2.gz KNQCQFHSGCUQLH-UHFFFAOYSA-N -1 2 342.329 1.510 20 0 EDADLM Cc1cc(C(=O)N(CC(=O)[O-])CC(C)(C)C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000663138319 453701350 /nfs/dbraw/zinc/70/13/50/453701350.db2.gz VSKTYLWAJWWVAC-UHFFFAOYSA-N -1 2 348.359 1.317 20 0 EDADLM O=C(CC1CCN(C(=O)[O-])CC1)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000740348432 579334425 /nfs/dbraw/zinc/33/44/25/579334425.db2.gz CKIGMDYZSNNTAF-UHFFFAOYSA-N -1 2 346.343 1.749 20 0 EDADLM CN(C(=O)[O-])C1CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000737932279 578301128 /nfs/dbraw/zinc/30/11/28/578301128.db2.gz CPUFBFQSYFQFSV-UHFFFAOYSA-N -1 2 346.343 1.244 20 0 EDADLM Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(-n3cc[nH+]c3)c2)c1C(=O)[O-] ZINC000738338739 579187530 /nfs/dbraw/zinc/18/75/30/579187530.db2.gz UTQOJMFGYYORFC-UHFFFAOYSA-N -1 2 347.356 1.403 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C(F)F ZINC000759104848 579998544 /nfs/dbraw/zinc/99/85/44/579998544.db2.gz XUOCTGKOCXZPPO-UHFFFAOYSA-N -1 2 349.290 1.996 20 0 EDADLM CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2[nH]c1=S ZINC000769513999 580238915 /nfs/dbraw/zinc/23/89/15/580238915.db2.gz QMONNYZPKWNSEV-LBPRGKRZSA-N -1 2 347.396 1.394 20 0 EDADLM O=C(c1cccc(O)c1)N1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799309548 581024937 /nfs/dbraw/zinc/02/49/37/581024937.db2.gz SOXKILQDDZQRIR-QGZVFWFLSA-N -1 2 345.374 1.418 20 0 EDADLM Cn1c[nH+]c(CNS(=O)(=O)c2cccc3c2OC(F)(F)O3)c1 ZINC000908096300 592314585 /nfs/dbraw/zinc/31/45/85/592314585.db2.gz NPFNZDDLMRDLJC-UHFFFAOYSA-N -1 2 331.300 1.220 20 0 EDADLM C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1c(O)cnc2c(F)cccc21 ZINC000910931631 592901915 /nfs/dbraw/zinc/90/19/15/592901915.db2.gz PKICCDFSAWBEGM-RYUDHWBXSA-N -1 2 347.390 1.607 20 0 EDADLM CC(C)(C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000823850558 593872888 /nfs/dbraw/zinc/87/28/88/593872888.db2.gz PYUWSKJEYNULPN-SNVBAGLBSA-N -1 2 334.332 1.651 20 0 EDADLM COc1ccc(N2CC(=O)C(C(=O)NCCCCC(=O)[O-])=N2)cc1 ZINC000820804898 593894065 /nfs/dbraw/zinc/89/40/65/593894065.db2.gz BFKAHLSDDPWWEY-UHFFFAOYSA-N -1 2 333.344 1.571 20 0 EDADLM CC1(C)CN(C(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000825729184 594233046 /nfs/dbraw/zinc/23/30/46/594233046.db2.gz PGBZXCRDGCGONF-UHFFFAOYSA-N -1 2 344.371 1.792 20 0 EDADLM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnoc1C ZINC000831375486 594618200 /nfs/dbraw/zinc/61/82/00/594618200.db2.gz ZFGXHTBRPWOJSQ-UHFFFAOYSA-N -1 2 340.313 1.269 20 0 EDADLM Cc1oc(S(=O)(=O)Nc2ccc(N(C)C)nc2)cc1C(=O)[O-] ZINC000833029892 594792813 /nfs/dbraw/zinc/79/28/13/594792813.db2.gz NYHVCPMQZYVFHH-UHFFFAOYSA-N -1 2 325.346 1.548 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000833055774 594794755 /nfs/dbraw/zinc/79/47/55/594794755.db2.gz OBQUYYDKTQDJET-UHFFFAOYSA-N -1 2 344.418 1.673 20 0 EDADLM O=C([O-])CCSCCNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000833239437 594811888 /nfs/dbraw/zinc/81/18/88/594811888.db2.gz HWENGKTWWPDCLJ-UHFFFAOYSA-N -1 2 335.385 1.516 20 0 EDADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000833346683 594831605 /nfs/dbraw/zinc/83/16/05/594831605.db2.gz NBEPDXBBVARDIY-UHFFFAOYSA-N -1 2 342.354 1.413 20 0 EDADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000833356897 594832894 /nfs/dbraw/zinc/83/28/94/594832894.db2.gz AWZUGKLYGOYCEZ-UHFFFAOYSA-N -1 2 340.338 1.313 20 0 EDADLM CC(C)Cc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])co2)s1 ZINC000833494392 594859210 /nfs/dbraw/zinc/85/92/10/594859210.db2.gz QCTVGHMJUBUYPA-UHFFFAOYSA-N -1 2 331.375 1.829 20 0 EDADLM COc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)c(F)c1 ZINC000833729589 594917345 /nfs/dbraw/zinc/91/73/45/594917345.db2.gz QNTHZABDSASFHJ-UHFFFAOYSA-N -1 2 344.295 1.867 20 0 EDADLM O=C([O-])N1CCc2ncc(NS(=O)(=O)c3cccnc3)cc2C1 ZINC000834121983 595020421 /nfs/dbraw/zinc/02/04/21/595020421.db2.gz VLGMAVQACWVMGR-UHFFFAOYSA-N -1 2 334.357 1.314 20 0 EDADLM O=C([O-])Nc1cnc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cn1 ZINC000834278001 595077541 /nfs/dbraw/zinc/07/75/41/595077541.db2.gz DXPPJCMDADMFIV-UHFFFAOYSA-N -1 2 342.271 1.162 20 0 EDADLM Cc1c(NS(=O)(=O)c2cccc3c2OCC3)c(C(=O)[O-])nn1C ZINC000864091678 596752810 /nfs/dbraw/zinc/75/28/10/596752810.db2.gz GPCSHJIWKFYUHB-UHFFFAOYSA-N -1 2 337.357 1.162 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)c(C)c1 ZINC000738069578 599738902 /nfs/dbraw/zinc/73/89/02/599738902.db2.gz MATOKFVQXRMYDA-UHFFFAOYSA-N -1 2 325.346 1.086 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)c[n-]c2[nH+]1 ZINC000738666704 600319634 /nfs/dbraw/zinc/31/96/34/600319634.db2.gz VKTHSJMKZMOLGW-ZDUSSCGKSA-N -1 2 341.367 1.971 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)c[nH]c2n1 ZINC000738666704 600319638 /nfs/dbraw/zinc/31/96/38/600319638.db2.gz VKTHSJMKZMOLGW-ZDUSSCGKSA-N -1 2 341.367 1.971 20 0 EDADLM CCc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)c3ncccc3O)C2)o1 ZINC000994906651 699288640 /nfs/dbraw/zinc/28/86/40/699288640.db2.gz CMSFYTRQKAHNEQ-RYUDHWBXSA-N -1 2 345.403 1.421 20 0 EDADLM Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)c3ncccc3O)[C@H](C)C2)cn1 ZINC000941994360 702328176 /nfs/dbraw/zinc/32/81/76/702328176.db2.gz WSZQLLRLQDZZNE-DOMZBBRYSA-N -1 2 341.415 1.526 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000091021441 539409551 /nfs/dbraw/zinc/40/95/51/539409551.db2.gz LOLOFTPFRQNZNQ-UHFFFAOYSA-N -1 2 326.378 1.303 20 0 EDADLM Cc1ccc([C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])cc1 ZINC000275158782 540058216 /nfs/dbraw/zinc/05/82/16/540058216.db2.gz ZUDXDMIWCHJYBO-PSASIEDQSA-N -1 2 325.308 1.991 20 0 EDADLM CC[C@@H](C(=O)Nc1nc(-c2ccccc2F)n[nH]1)N1CCCC1=O ZINC000175971374 207178117 /nfs/dbraw/zinc/17/81/17/207178117.db2.gz OZNVVAZTELXYHL-LBPRGKRZSA-N -1 2 331.351 1.950 20 0 EDADLM Cc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000424258633 252181876 /nfs/dbraw/zinc/18/18/76/252181876.db2.gz YFLYSTVVFLPVED-SECBINFHSA-N -1 2 348.359 1.221 20 0 EDADLM CCOCCO[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000496159601 255359254 /nfs/dbraw/zinc/35/92/54/255359254.db2.gz PEUIBHHHEINIBB-QMMMGPOBSA-N -1 2 330.303 1.526 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2c(C)noc2C)cc1CC(=O)[O-] ZINC000271661417 140329050 /nfs/dbraw/zinc/32/90/50/140329050.db2.gz XZSAZAOPMBDVMT-UHFFFAOYSA-N -1 2 340.357 1.728 20 0 EDADLM C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000333101373 141264165 /nfs/dbraw/zinc/26/41/65/141264165.db2.gz CTVKBZJRTWEREA-BJOHPYRUSA-N -1 2 347.400 1.533 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)c[nH]1 ZINC000373999912 157100366 /nfs/dbraw/zinc/10/03/66/157100366.db2.gz FBYONJFMBDMTMO-GFCCVEGCSA-N -1 2 338.341 1.330 20 0 EDADLM O=S(=O)(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cncc(Cl)c1 ZINC000378306815 158134661 /nfs/dbraw/zinc/13/46/61/158134661.db2.gz BXNUGTHOLNFMPO-STQMWFEESA-N -1 2 345.852 1.267 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)sc1C ZINC000295240457 303192968 /nfs/dbraw/zinc/19/29/68/303192968.db2.gz UYBIHEAFJQEYML-UHFFFAOYSA-N -1 2 328.463 1.924 20 0 EDADLM Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccccc1F)C(C)(C)CO ZINC000295879994 303279175 /nfs/dbraw/zinc/27/91/75/303279175.db2.gz ZOQFOWQSXLYVLN-ZDUSSCGKSA-N -1 2 341.408 1.597 20 0 EDADLM O=C(NCCNC(=O)c1cccc2[nH]nnc21)c1ccc(Cl)cc1 ZINC000541891901 306049011 /nfs/dbraw/zinc/04/90/11/306049011.db2.gz PKXXILZPGOVQNX-UHFFFAOYSA-N -1 2 343.774 1.771 20 0 EDADLM COc1nn(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000352318109 319104685 /nfs/dbraw/zinc/10/46/85/319104685.db2.gz VOAIWWHERDXUIV-UHFFFAOYSA-N -1 2 329.309 1.067 20 0 EDADLM Cc1noc(C)c1S(=O)(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000265046614 443517549 /nfs/dbraw/zinc/51/75/49/443517549.db2.gz XSXGSBIGNHAIOQ-UHFFFAOYSA-N -1 2 340.357 1.946 20 0 EDADLM CCOCCS(=O)(=O)Nc1c(OCC)ccc(F)c1C(=O)[O-] ZINC000548593344 320886941 /nfs/dbraw/zinc/88/69/41/320886941.db2.gz OVOULKNKTIRRCE-UHFFFAOYSA-N -1 2 335.353 1.701 20 0 EDADLM CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000294282367 444110900 /nfs/dbraw/zinc/11/09/00/444110900.db2.gz OYELGIPTKIHOQA-AWEZNQCLSA-N -1 2 341.402 1.703 20 0 EDADLM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1C ZINC000319192576 444322790 /nfs/dbraw/zinc/32/27/90/444322790.db2.gz OVFGTFCLAJBDJF-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cnn(C)c1 ZINC000362195929 446255824 /nfs/dbraw/zinc/25/58/24/446255824.db2.gz PZCPSDNVXLTVHW-UHFFFAOYSA-N -1 2 339.373 1.247 20 0 EDADLM COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000610032533 450131731 /nfs/dbraw/zinc/13/17/31/450131731.db2.gz JKAVQWWAAFRKSK-UHFFFAOYSA-N -1 2 345.380 1.851 20 0 EDADLM Cc1cc(=NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)[nH]nc1C ZINC000649539909 452133476 /nfs/dbraw/zinc/13/34/76/452133476.db2.gz MFGYOFADVMHFPC-KRWDZBQOSA-N -1 2 328.372 1.679 20 0 EDADLM O=C([O-])CCCS(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000656179882 452940713 /nfs/dbraw/zinc/94/07/13/452940713.db2.gz BXHHXNXHKULJHM-BDAKNGLRSA-N -1 2 333.328 1.271 20 0 EDADLM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000648893196 453368932 /nfs/dbraw/zinc/36/89/32/453368932.db2.gz VCPZDKOAYSKLFX-RXMQYKEDSA-N -1 2 329.769 1.346 20 0 EDADLM CC[C@@H](O)C[NH+]1CCN(c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000736384221 578984697 /nfs/dbraw/zinc/98/46/97/578984697.db2.gz WJAJQYVRFWNLOW-LLVKDONJSA-N -1 2 338.362 1.038 20 0 EDADLM CN(Cc1cccc(-c2nn[nH]n2)c1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000736823302 579024097 /nfs/dbraw/zinc/02/40/97/579024097.db2.gz VLXMUIXBPCQMCC-UHFFFAOYSA-N -1 2 333.359 1.479 20 0 EDADLM Cc1n[nH]cc1S(=O)(=O)Nc1ccc(OCCCC(=O)[O-])cc1 ZINC000738248376 579177425 /nfs/dbraw/zinc/17/74/25/579177425.db2.gz DGKMSDHOUPQCAY-UHFFFAOYSA-N -1 2 339.373 1.763 20 0 EDADLM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000773651598 580343379 /nfs/dbraw/zinc/34/33/79/580343379.db2.gz SGWXTKNYWNNNMV-VIFPVBQESA-N -1 2 345.384 1.960 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cn1 ZINC000821107100 593967045 /nfs/dbraw/zinc/96/70/45/593967045.db2.gz UEWKMIOJSTVZPZ-UHFFFAOYSA-N -1 2 332.341 1.467 20 0 EDADLM CCC(CC)(NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)C(=O)[O-] ZINC000828838537 594513663 /nfs/dbraw/zinc/51/36/63/594513663.db2.gz MXAGVIWCVGPVNX-UHFFFAOYSA-N -1 2 334.332 1.118 20 0 EDADLM C[C@H](C1CC1)n1[nH]ccc1=NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000831166105 594572885 /nfs/dbraw/zinc/57/28/85/594572885.db2.gz QHAZXFFNCKFNBJ-DZUCGIPZSA-N -1 2 346.475 1.840 20 0 EDADLM CCCC[C@H](CNC(=O)[O-])NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000826799609 594578235 /nfs/dbraw/zinc/57/82/35/594578235.db2.gz BUQKPJKXUTXOCM-GFCCVEGCSA-N -1 2 348.359 1.586 20 0 EDADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1cnc(C)nc1 ZINC000831950019 594713967 /nfs/dbraw/zinc/71/39/67/594713967.db2.gz LGYTVEGSWRHXKB-UHFFFAOYSA-N -1 2 329.359 1.354 20 0 EDADLM COc1cc(C(=O)[O-])sc1S(=O)(=O)Nc1ccc(OC)nc1 ZINC000832419524 594749038 /nfs/dbraw/zinc/74/90/38/594749038.db2.gz JTQWGFVDGDDPGS-UHFFFAOYSA-N -1 2 344.370 1.659 20 0 EDADLM O=C([O-])NC[C@H]1CCCCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000832526921 594756482 /nfs/dbraw/zinc/75/64/82/594756482.db2.gz CIGHUTBPSMDBPD-CYBMUJFWSA-N -1 2 344.371 1.840 20 0 EDADLM O=C([O-])NC[C@H]1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000832588530 594761812 /nfs/dbraw/zinc/76/18/12/594761812.db2.gz DMPVNDCLFRXLLU-LLVKDONJSA-N -1 2 330.344 1.308 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)=N1 ZINC000832890237 594783182 /nfs/dbraw/zinc/78/31/82/594783182.db2.gz SUSWJUSUPFQHEI-JQWIXIFHSA-N -1 2 347.346 1.818 20 0 EDADLM O=C([O-])N1CCC(C(=O)OCc2n[nH]c(=O)[nH]2)(c2ccccc2)CC1 ZINC000834072699 595006326 /nfs/dbraw/zinc/00/63/26/595006326.db2.gz DAHGEAOAAWUUKK-UHFFFAOYSA-N -1 2 346.343 1.265 20 0 EDADLM O=C([O-])NC[C@H]([NH2+]Cc1n[nH]c(=O)[n-]1)c1ccc2ccccc2c1 ZINC000834204809 595051498 /nfs/dbraw/zinc/05/14/98/595051498.db2.gz BCEQDRRFSFUCCI-ZDUSSCGKSA-N -1 2 327.344 1.762 20 0 EDADLM Cc1cccc(S(=O)(=O)Nc2ncc(C(N)=O)s2)c1C(=O)[O-] ZINC000738745976 600055206 /nfs/dbraw/zinc/05/52/06/600055206.db2.gz AKBQRUMIFFQVEC-UHFFFAOYSA-N -1 2 341.370 1.049 20 0 EDADLM Cc1ncc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000738889424 600893600 /nfs/dbraw/zinc/89/36/00/600893600.db2.gz UKLIQUOEMWQNPK-UHFFFAOYSA-N -1 2 327.749 1.937 20 0 EDADLM Cc1cncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2c(C)nc[nH]c2=O)c1 ZINC001032580933 704998775 /nfs/dbraw/zinc/99/87/75/704998775.db2.gz DHNMVNRETFOKFM-GJZGRUSLSA-N -1 2 339.399 1.293 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c(O)c1 ZINC000442853241 539337144 /nfs/dbraw/zinc/33/71/44/539337144.db2.gz MFLZXULLIPBBCB-UHFFFAOYSA-N -1 2 327.314 1.801 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NCCc1cccc(C(=O)[O-])n1 ZINC000281930676 539920364 /nfs/dbraw/zinc/92/03/64/539920364.db2.gz QZNLSCCDFZXZJX-SSDOTTSWSA-N -1 2 326.296 1.193 20 0 EDADLM CCOc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000271080010 540047806 /nfs/dbraw/zinc/04/78/06/540047806.db2.gz RFXLPFQNZLINAT-UHFFFAOYSA-N -1 2 339.373 1.801 20 0 EDADLM CO[C@@H](C)c1nc(=NC(=O)c2cc(NC(C)=O)ccc2O)s[n-]1 ZINC000436729080 305166729 /nfs/dbraw/zinc/16/67/29/305166729.db2.gz FDTXWGWBVQHLOW-ZETCQYMHSA-N -1 2 336.373 1.584 20 0 EDADLM COc1ccc(O)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000436993917 305171369 /nfs/dbraw/zinc/17/13/69/305171369.db2.gz IUQZXLKFCQMTDK-UHFFFAOYSA-N -1 2 339.325 1.605 20 0 EDADLM COc1ccc(Cl)c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1 ZINC000539196094 306034691 /nfs/dbraw/zinc/03/46/91/306034691.db2.gz LDFFSJVSZMGCGR-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1F ZINC000192645724 442671761 /nfs/dbraw/zinc/67/17/61/442671761.db2.gz XRPMFJVIWZDVKU-PIGZYNQJSA-N -1 2 348.378 1.135 20 0 EDADLM COc1ccc(C(=O)NCCNC(=O)c2cccc3[nH]nnc32)cc1 ZINC000183438325 442931079 /nfs/dbraw/zinc/93/10/79/442931079.db2.gz SCQNXDLQEYSXML-UHFFFAOYSA-N -1 2 339.355 1.126 20 0 EDADLM Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c1 ZINC000189510503 442969851 /nfs/dbraw/zinc/96/98/51/442969851.db2.gz VVFPGKTZOWPHFV-UHFFFAOYSA-N -1 2 349.347 1.204 20 0 EDADLM CCC[C@H]1C(=O)NCC[N@@H+]1Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459366621 320347461 /nfs/dbraw/zinc/34/74/61/320347461.db2.gz CVHHPSRKZYSCCD-HNNXBMFYSA-N -1 2 326.400 1.950 20 0 EDADLM COc1ccccc1[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000548531318 320884238 /nfs/dbraw/zinc/88/42/38/320884238.db2.gz ZFCCCPFCHPMYSS-OIBJUYFYSA-N -1 2 341.307 1.691 20 0 EDADLM CCc1oncc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000337876337 444445108 /nfs/dbraw/zinc/44/51/08/444445108.db2.gz UTOXWHFDEQAYOZ-UHFFFAOYSA-N -1 2 326.330 1.745 20 0 EDADLM CCOc1nc2cc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)ccc2[nH]1 ZINC000329212027 444503131 /nfs/dbraw/zinc/50/31/31/444503131.db2.gz ZQDGDNIPLNUJIH-JKSUJKDBSA-N -1 2 344.415 1.507 20 0 EDADLM CCOc1nc2cc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)ccc2[nH]1 ZINC000329212027 444503134 /nfs/dbraw/zinc/50/31/34/444503134.db2.gz ZQDGDNIPLNUJIH-JKSUJKDBSA-N -1 2 344.415 1.507 20 0 EDADLM CO[C@@H](C)c1nc(=NC(=O)c2cnc3nc(C)ccc3c2O)s[n-]1 ZINC000338924612 444936030 /nfs/dbraw/zinc/93/60/30/444936030.db2.gz JIZMURDHJXDPLA-QMMMGPOBSA-N -1 2 345.384 1.877 20 0 EDADLM Cc1noc(C)c1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000354612573 445314302 /nfs/dbraw/zinc/31/43/02/445314302.db2.gz VCINSPIOVBYMOE-UHFFFAOYSA-N -1 2 326.330 1.556 20 0 EDADLM Cn1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cn1 ZINC000354614950 445315524 /nfs/dbraw/zinc/31/55/24/445315524.db2.gz CLOXKJOJDSYKBR-UHFFFAOYSA-N -1 2 345.764 1.338 20 0 EDADLM COc1nn(C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000350830786 445920992 /nfs/dbraw/zinc/92/09/92/445920992.db2.gz LTTKPFTVKPYOFP-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM O=C([O-])Cn1ccnc1-c1cccc(NS(=O)(=O)c2cn[nH]c2)c1 ZINC000362335825 446324044 /nfs/dbraw/zinc/32/40/44/446324044.db2.gz MOECMKSJWONWRD-UHFFFAOYSA-N -1 2 347.356 1.159 20 0 EDADLM CCOC(=O)NCC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000376519917 446551470 /nfs/dbraw/zinc/55/14/70/446551470.db2.gz UOFOOFPQUBSLCZ-UHFFFAOYSA-N -1 2 325.275 1.435 20 0 EDADLM Cn1cc[nH+]c1[C@@H](NS(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000608019092 449727188 /nfs/dbraw/zinc/72/71/88/449727188.db2.gz LHTOKEIOBKUXMA-AWEZNQCLSA-N -1 2 332.385 1.617 20 0 EDADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(CCF)c2)c1C ZINC000629320312 450600948 /nfs/dbraw/zinc/60/09/48/450600948.db2.gz HUNFRBZPNCFSQD-UHFFFAOYSA-N -1 2 341.364 1.968 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2CCO[C@H](C(=O)[O-])C2)=N1 ZINC000647219526 452132070 /nfs/dbraw/zinc/13/20/70/452132070.db2.gz LFIXNDYYGAJSEH-AWEZNQCLSA-N -1 2 345.355 1.066 20 0 EDADLM O=C([O-])C1(CNC(=O)C2=NN(c3ccccc3)CC2=O)CCOCC1 ZINC000647765959 452499200 /nfs/dbraw/zinc/49/92/00/452499200.db2.gz AAJOGIMBESEMPR-UHFFFAOYSA-N -1 2 345.355 1.189 20 0 EDADLM COc1cc(F)c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c(F)c1 ZINC000678716818 487356662 /nfs/dbraw/zinc/35/66/62/487356662.db2.gz PYFNJSOTCZWQJJ-UHFFFAOYSA-N -1 2 347.299 1.206 20 0 EDADLM CC(C)(NC(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000759461146 580006452 /nfs/dbraw/zinc/00/64/52/580006452.db2.gz FTXLPISTIZQHKP-UHFFFAOYSA-N -1 2 344.355 1.222 20 0 EDADLM CN(C)c1ncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000751557023 579812564 /nfs/dbraw/zinc/81/25/64/579812564.db2.gz YZLKRBGKMKDVBC-UHFFFAOYSA-N -1 2 340.336 1.181 20 0 EDADLM CC(=O)c1cc(F)cc(CN2CC[NH+](CC[S@@](C)=O)CC2)c1O ZINC000755950871 579939320 /nfs/dbraw/zinc/93/93/20/579939320.db2.gz XHAMJXHFUNDJCQ-HSZRJFAPSA-N -1 2 342.436 1.230 20 0 EDADLM C[C@@]1(C(=O)[O-])CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000902110276 591916169 /nfs/dbraw/zinc/91/61/69/591916169.db2.gz KASKFOBCNFDSSA-INIZCTEOSA-N -1 2 333.319 1.796 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H](C(=O)[O-])C2CC2)=N1 ZINC000830269681 594365650 /nfs/dbraw/zinc/36/56/50/594365650.db2.gz BQDFKXMVZFYBJD-CQSZACIVSA-N -1 2 329.356 1.733 20 0 EDADLM CCc1nc(NS(=O)(=O)c2csnc2C(=O)[O-])sc1C ZINC000830317543 594374613 /nfs/dbraw/zinc/37/46/13/594374613.db2.gz BLGSAGNJSZFFOE-UHFFFAOYSA-N -1 2 333.416 1.969 20 0 EDADLM COC(=O)c1cc(S(=O)(=O)Oc2ccccc2NC(=O)[O-])c[nH]1 ZINC000831353086 594613446 /nfs/dbraw/zinc/61/34/46/594613446.db2.gz AXFFDOYGNWIJAK-UHFFFAOYSA-N -1 2 340.313 1.659 20 0 EDADLM CCCc1nnc(NS(=O)(=O)c2csnc2C(=O)[O-])s1 ZINC000829573556 594643345 /nfs/dbraw/zinc/64/33/45/594643345.db2.gz APVOFQBMMGILCQ-UHFFFAOYSA-N -1 2 334.404 1.446 20 0 EDADLM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000832480942 594753426 /nfs/dbraw/zinc/75/34/26/594753426.db2.gz CEDOWYKIDYOSOF-NEPJUHHUSA-N -1 2 346.343 1.196 20 0 EDADLM Cc1nc(NS(=O)(=O)c2cn(CC(C)C)cn2)sc1C(=O)[O-] ZINC000833002780 594790356 /nfs/dbraw/zinc/79/03/56/594790356.db2.gz GYHBMSIGIROJMZ-UHFFFAOYSA-N -1 2 344.418 1.803 20 0 EDADLM COCCC[C@@H](C)C(=O)NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833724321 594916411 /nfs/dbraw/zinc/91/64/11/594916411.db2.gz CGPWVKSMCNVQIX-MRVPVSSYSA-N -1 2 335.403 1.314 20 0 EDADLM CCN(C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O)[C@@H](C)C(=O)[O-] ZINC000851696696 595889104 /nfs/dbraw/zinc/88/91/04/595889104.db2.gz VSVHQMAPPUWOJZ-VIFPVBQESA-N -1 2 349.412 1.640 20 0 EDADLM O=C(c1ccc2oc(=S)[n-]c2c1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000854364828 596052438 /nfs/dbraw/zinc/05/24/38/596052438.db2.gz JLZVAAFZGADFJW-SECBINFHSA-N -1 2 345.384 1.960 20 0 EDADLM CCOc1ccc(S(=O)(=O)NC(=O)C(CC)(CC)C(=O)[O-])cn1 ZINC000863958157 596730470 /nfs/dbraw/zinc/73/04/70/596730470.db2.gz NJIHEDPBXKWHET-UHFFFAOYSA-N -1 2 344.389 1.176 20 0 EDADLM CC(C)Cc1nnc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)s1 ZINC000230288556 601502047 /nfs/dbraw/zinc/50/20/47/601502047.db2.gz PTEGECICEXYREO-UHFFFAOYSA-N -1 2 330.391 1.564 20 0 EDADLM C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1F)[C@H]1C[N@H+](C)CCN1C ZINC000919982067 697377590 /nfs/dbraw/zinc/37/75/90/697377590.db2.gz QWVAGGIMRJZIAN-ZWNOBZJWSA-N -1 2 349.859 1.392 20 0 EDADLM C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1F)[C@@H]1C[N@H+](C)CCN1C ZINC000919982066 697377603 /nfs/dbraw/zinc/37/76/03/697377603.db2.gz QWVAGGIMRJZIAN-MFKMUULPSA-N -1 2 349.859 1.392 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000274926524 540057356 /nfs/dbraw/zinc/05/73/56/540057356.db2.gz CEKWKHQWAVUUAS-GMSGAONNSA-N -1 2 343.298 1.692 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cc(C3CC3)n(C)n2)cc1C(=O)[O-] ZINC000290572805 540089729 /nfs/dbraw/zinc/08/97/29/540089729.db2.gz UMFYAMIRUVGRBQ-UHFFFAOYSA-N -1 2 338.389 1.618 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c1 ZINC000436544151 305160438 /nfs/dbraw/zinc/16/04/38/305160438.db2.gz KKBAJRCOJDAIEN-UHFFFAOYSA-N -1 2 349.368 1.634 20 0 EDADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)c1 ZINC000436946576 305170556 /nfs/dbraw/zinc/17/05/56/305170556.db2.gz JUPBNUSXHKLIMW-UHFFFAOYSA-N -1 2 349.324 1.473 20 0 EDADLM O=c1[nH]nc([C@H]2CCC[N@H+]([C@H]3CCc4ccccc4NC3=O)C2)o1 ZINC000298624001 443820325 /nfs/dbraw/zinc/82/03/25/443820325.db2.gz VCUYWTFOHDYQQM-JSGCOSHPSA-N -1 2 328.372 1.496 20 0 EDADLM COc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000320231557 444328914 /nfs/dbraw/zinc/32/89/14/444328914.db2.gz XBEYWAYUKKYPDR-UHFFFAOYSA-N -1 2 340.357 1.541 20 0 EDADLM Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000339074636 445020574 /nfs/dbraw/zinc/02/05/74/445020574.db2.gz RAZFFJKFSCSGIU-UHFFFAOYSA-N -1 2 349.290 1.938 20 0 EDADLM Cc1ccc(C(=O)N2CCN(C[C@H]3C[N@H+](C)CCO3)C[C@H]2C)c(O)c1 ZINC000368397338 446836065 /nfs/dbraw/zinc/83/60/65/446836065.db2.gz LTPQHZFVKSEWSF-HZPDHXFCSA-N -1 2 347.459 1.178 20 0 EDADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000570963432 448086182 /nfs/dbraw/zinc/08/61/82/448086182.db2.gz ZCJIYULVMPRJDP-UHFFFAOYSA-N -1 2 341.364 1.983 20 0 EDADLM Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cccc2[nH]nnc21 ZINC000526122288 448105646 /nfs/dbraw/zinc/10/56/46/448105646.db2.gz RWFYUOPBTLJTLR-BBRMVZONSA-N -1 2 340.387 1.568 20 0 EDADLM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000572609134 448421550 /nfs/dbraw/zinc/42/15/50/448421550.db2.gz CCBNFZKVJVVAMQ-SECBINFHSA-N -1 2 342.446 1.190 20 0 EDADLM Cc1csc(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)n1 ZINC000641263875 451798003 /nfs/dbraw/zinc/79/80/03/451798003.db2.gz DCXFNOKBOOWKFJ-UHFFFAOYSA-N -1 2 337.470 1.918 20 0 EDADLM CN(CC1CCCCC1)C(=O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000649536523 452132545 /nfs/dbraw/zinc/13/25/45/452132545.db2.gz FQZACNIZZGTYFR-CQSZACIVSA-N -1 2 336.436 1.993 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccn(C3CCOCC3)n2)c[nH]1 ZINC000656636348 453346978 /nfs/dbraw/zinc/34/69/78/453346978.db2.gz FCODILJOMPHGFY-UHFFFAOYSA-N -1 2 340.361 1.062 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc(C(=O)[O-])c1 ZINC000507568635 487265315 /nfs/dbraw/zinc/26/53/15/487265315.db2.gz QCPVCLVROJWGKG-UHFFFAOYSA-N -1 2 345.327 1.956 20 0 EDADLM CCc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000222859319 491236039 /nfs/dbraw/zinc/23/60/39/491236039.db2.gz QITCAVLJXKSRKU-UHFFFAOYSA-N -1 2 329.403 1.851 20 0 EDADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1 ZINC000175021956 534505773 /nfs/dbraw/zinc/50/57/73/534505773.db2.gz WULVOORGMHBNTG-UHFFFAOYSA-N -1 2 345.327 1.576 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cncc(F)c1 ZINC000339409769 536540872 /nfs/dbraw/zinc/54/08/72/536540872.db2.gz LVHTVOOAKQGJHS-UHFFFAOYSA-N -1 2 344.295 1.867 20 0 EDADLM O=C([O-])N1CCc2nc(NS(=O)(=O)c3ccccc3)sc2C1 ZINC000740530699 579357561 /nfs/dbraw/zinc/35/75/61/579357561.db2.gz WSCWXSWVOCCJMQ-UHFFFAOYSA-N -1 2 339.398 1.980 20 0 EDADLM O=C([O-])c1cccc(NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)c1O ZINC000739478990 579210856 /nfs/dbraw/zinc/21/08/56/579210856.db2.gz DQTCWSUHDDXPQL-UHFFFAOYSA-N -1 2 341.279 1.686 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ncn(Cc3ccccc3)n2)o1 ZINC000740186738 579298352 /nfs/dbraw/zinc/29/83/52/579298352.db2.gz RNVXSAFLAZDOMG-UHFFFAOYSA-N -1 2 348.340 1.418 20 0 EDADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(C(F)F)c2)ccc1F ZINC000766375957 580165537 /nfs/dbraw/zinc/16/55/37/580165537.db2.gz MUMAIUGHTNCJCR-UHFFFAOYSA-N -1 2 335.263 1.916 20 0 EDADLM CC[N@@H+]1CCC[C@H]1CN(CCC(=O)[O-])C(=O)c1cccc2[nH+]ccn21 ZINC000911285051 592989171 /nfs/dbraw/zinc/98/91/71/592989171.db2.gz NXPGCXSDVBQXTR-AWEZNQCLSA-N -1 2 344.415 1.736 20 0 EDADLM C[N@H+](Cc1ccoc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821615926 593881593 /nfs/dbraw/zinc/88/15/93/593881593.db2.gz UWURGHFFNAZAEM-OAHLLOKOSA-N -1 2 338.371 1.697 20 0 EDADLM C[N@@H+](Cc1ccoc1)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000821615926 593881595 /nfs/dbraw/zinc/88/15/95/593881595.db2.gz UWURGHFFNAZAEM-OAHLLOKOSA-N -1 2 338.371 1.697 20 0 EDADLM CO[C@@H](C)c1noc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC000821674999 593906819 /nfs/dbraw/zinc/90/68/19/593906819.db2.gz AYDFDYMAILFSMN-JTQLQIEISA-N -1 2 329.364 1.589 20 0 EDADLM Cc1ccc(-c2nn[nH]n2)c(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000822215050 594012006 /nfs/dbraw/zinc/01/20/06/594012006.db2.gz JZEXNZBZZDEHMM-BETUJISGSA-N -1 2 331.424 1.481 20 0 EDADLM O=C(COc1ccc(-c2nn[nH]n2)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000823037537 594141903 /nfs/dbraw/zinc/14/19/03/594141903.db2.gz ZPXCZMNPMUZTSR-UHFFFAOYSA-N -1 2 349.354 1.210 20 0 EDADLM O=C(NCc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCCc2cn[nH]c21 ZINC000823257861 594176880 /nfs/dbraw/zinc/17/68/80/594176880.db2.gz WEJBTEUFKZDUCT-CYBMUJFWSA-N -1 2 338.375 1.467 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)c(C)s1 ZINC000830132809 594341855 /nfs/dbraw/zinc/34/18/55/594341855.db2.gz KUFIILMBXQAXLN-NXEZZACHSA-N -1 2 346.430 1.606 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)=N1 ZINC000830270120 594365818 /nfs/dbraw/zinc/36/58/18/594365818.db2.gz LNWIAQIDUJPCDU-YPMHNXCESA-N -1 2 343.383 1.933 20 0 EDADLM C[C@H]1CC[C@@H](CCC(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])O1 ZINC000828221182 594368055 /nfs/dbraw/zinc/36/80/55/594368055.db2.gz JBIQITXBMUBIEM-IUCAKERBSA-N -1 2 347.414 1.599 20 0 EDADLM CCC(=O)c1cccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC000828580747 594456882 /nfs/dbraw/zinc/45/68/82/594456882.db2.gz SSRJUWAWTSPZLK-UHFFFAOYSA-N -1 2 337.357 1.361 20 0 EDADLM CCCn1nccc1NS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829590932 594646406 /nfs/dbraw/zinc/64/64/06/594646406.db2.gz JZSJZLLJDMAZJC-UHFFFAOYSA-N -1 2 345.402 1.862 20 0 EDADLM O=C([O-])N1CCC[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000831590376 594685863 /nfs/dbraw/zinc/68/58/63/594685863.db2.gz CVVXBTAJGMVDSL-LLVKDONJSA-N -1 2 348.334 1.589 20 0 EDADLM O=C([O-])NCC1(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)CCCC1 ZINC000832443004 594750785 /nfs/dbraw/zinc/75/07/85/594750785.db2.gz JZZBVXRVBBRYSR-UHFFFAOYSA-N -1 2 346.343 1.796 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)=N1 ZINC000832890239 594783184 /nfs/dbraw/zinc/78/31/84/594783184.db2.gz SUSWJUSUPFQHEI-PWSUYJOCSA-N -1 2 347.346 1.818 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)S1 ZINC000833088304 594796934 /nfs/dbraw/zinc/79/69/34/594796934.db2.gz HEAZBXLKJGFGFM-QMMMGPOBSA-N -1 2 327.749 1.533 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)S1 ZINC000833088304 594796935 /nfs/dbraw/zinc/79/69/35/594796935.db2.gz HEAZBXLKJGFGFM-QMMMGPOBSA-N -1 2 327.749 1.533 20 0 EDADLM O=C([O-])CCCCCCCNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000833225040 594808848 /nfs/dbraw/zinc/80/88/48/594808848.db2.gz FCNYPOYVJFAXKP-UHFFFAOYSA-N -1 2 348.359 1.591 20 0 EDADLM CC(C)(C)n1cnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000833452219 594850359 /nfs/dbraw/zinc/85/03/59/594850359.db2.gz RLHNPSDXSOAHRA-UHFFFAOYSA-N -1 2 342.352 1.671 20 0 EDADLM O=C([O-])N1CC(CNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000834037958 594997538 /nfs/dbraw/zinc/99/75/38/594997538.db2.gz QNDUCGFQOATVNG-UHFFFAOYSA-N -1 2 334.307 1.057 20 0 EDADLM O=C([O-])N[C@H](CC(F)F)C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000834134567 595024155 /nfs/dbraw/zinc/02/41/55/595024155.db2.gz SBXPGZVQYIDTHC-MRVPVSSYSA-N -1 2 342.258 1.260 20 0 EDADLM O=C([O-])C1(C(=O)NS(=O)(=O)c2cnc3ccccc3c2)CCC1 ZINC000863959527 596731496 /nfs/dbraw/zinc/73/14/96/596731496.db2.gz HZOGGVYAGGGECU-UHFFFAOYSA-N -1 2 334.353 1.295 20 0 EDADLM O=C([O-])c1ccc(Cl)c(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c1 ZINC000739355872 600125861 /nfs/dbraw/zinc/12/58/61/600125861.db2.gz QRIXGDWYMSMTKW-UHFFFAOYSA-N -1 2 347.718 1.062 20 0 EDADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cnccc2-n2cccn2)c1 ZINC000738688774 600126843 /nfs/dbraw/zinc/12/68/43/600126843.db2.gz KQZAAUMIWBEEDA-UHFFFAOYSA-N -1 2 344.352 1.766 20 0 EDADLM CCc1nc(NS(=O)(=O)c2csc(C(=O)[O-])c2)sc1C ZINC000070157586 600976075 /nfs/dbraw/zinc/97/60/75/600976075.db2.gz UIEVEYOWBGKCIW-UHFFFAOYSA-N -1 2 332.428 2.574 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000274959220 540057451 /nfs/dbraw/zinc/05/74/51/540057451.db2.gz URWYQXYELVTQCW-KOLCDFICSA-N -1 2 339.335 1.943 20 0 EDADLM C[C@H](CN(C)C(=O)c1nn(-c2ccc(F)cc2)cc1[O-])c1nn[nH]n1 ZINC000183430967 235071122 /nfs/dbraw/zinc/07/11/22/235071122.db2.gz REEDEQVMSMYQSW-SECBINFHSA-N -1 2 345.338 1.106 20 0 EDADLM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)NCC(F)(F)F ZINC000253363670 304150326 /nfs/dbraw/zinc/15/03/26/304150326.db2.gz JVXIJYIFIIPJPS-HLTSFMKQSA-N -1 2 330.328 1.101 20 0 EDADLM Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000227864418 139022770 /nfs/dbraw/zinc/02/27/70/139022770.db2.gz YAWLIBRRKPBMNE-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(C(=O)[O-])CC2)=N1 ZINC000263136532 139324342 /nfs/dbraw/zinc/32/43/42/139324342.db2.gz UMGZKUGYFDCSRK-UHFFFAOYSA-N -1 2 347.346 1.962 20 0 EDADLM Cc1oncc1NS(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000339965895 142214963 /nfs/dbraw/zinc/21/49/63/142214963.db2.gz QDMSYSKRQKIURV-UHFFFAOYSA-N -1 2 338.341 1.831 20 0 EDADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc1 ZINC000285061449 274439544 /nfs/dbraw/zinc/43/95/44/274439544.db2.gz LCBXVESPTWSNIJ-UHFFFAOYSA-N -1 2 335.385 1.647 20 0 EDADLM Cc1cc(F)c(S(=O)(=O)Nc2ccnn2CC[NH+](C)C)cc1F ZINC000295156683 303181791 /nfs/dbraw/zinc/18/17/91/303181791.db2.gz CNGBBCJHALTJPD-UHFFFAOYSA-N -1 2 344.387 1.832 20 0 EDADLM Cc1c(Cl)cccc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000539842336 306037709 /nfs/dbraw/zinc/03/77/09/306037709.db2.gz QJXLAFWLEMEWEX-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1C(=O)[O-] ZINC000547499401 306102448 /nfs/dbraw/zinc/10/24/48/306102448.db2.gz WXIKCQMWCHGIBQ-UHFFFAOYSA-N -1 2 340.748 1.444 20 0 EDADLM COCCn1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000070156619 441111245 /nfs/dbraw/zinc/11/12/45/441111245.db2.gz VBPPSXDTGOIDEZ-UHFFFAOYSA-N -1 2 331.375 1.090 20 0 EDADLM COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000276735636 443807575 /nfs/dbraw/zinc/80/75/75/443807575.db2.gz RGWOERDGLJHHIQ-JTQLQIEISA-N -1 2 338.882 1.709 20 0 EDADLM COc1cc(NS(=O)(=O)c2cn(C)nc2C)ccc1C(=O)[O-] ZINC000340977121 444611318 /nfs/dbraw/zinc/61/13/18/444611318.db2.gz VAYMNXXKCMVXJI-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM COc1cncc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC)c1 ZINC000337177696 444974599 /nfs/dbraw/zinc/97/45/99/444974599.db2.gz KGOPLPUCBHZCTA-UHFFFAOYSA-N -1 2 338.341 1.598 20 0 EDADLM Cc1n[nH]cc1S(=O)(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000349005970 445473102 /nfs/dbraw/zinc/47/31/02/445473102.db2.gz NLSUJWOHJVNHAZ-UHFFFAOYSA-N -1 2 325.346 1.372 20 0 EDADLM COc1ccc2c(c1)[nH]cc(C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c2=O ZINC000574156578 448804125 /nfs/dbraw/zinc/80/41/25/448804125.db2.gz CYHBZFSALRLRSW-GHMZBOCLSA-N -1 2 344.367 1.720 20 0 EDADLM COC(=O)c1[nH]cnc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000568344454 448856770 /nfs/dbraw/zinc/85/67/70/448856770.db2.gz AZILUDNGRZFZBH-ZDUSSCGKSA-N -1 2 344.371 1.036 20 0 EDADLM COC(=O)c1[nH]cnc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000568344454 448856774 /nfs/dbraw/zinc/85/67/74/448856774.db2.gz AZILUDNGRZFZBH-ZDUSSCGKSA-N -1 2 344.371 1.036 20 0 EDADLM Cc1ccsc1-c1nc(=NC(=O)NC[C@@H](C)C(=O)[O-])s[nH]1 ZINC000653541978 452003957 /nfs/dbraw/zinc/00/39/57/452003957.db2.gz BPWKQUNQUQOGDJ-SSDOTTSWSA-N -1 2 326.403 1.839 20 0 EDADLM Cc1ccc2nc(C[N@@H+]3CCC[C@@H](c4n[nH]c(=O)o4)C3)cc(=O)n2c1 ZINC000649536627 452132433 /nfs/dbraw/zinc/13/24/33/452132433.db2.gz UKVDAXIQFKBUBN-GFCCVEGCSA-N -1 2 341.371 1.471 20 0 EDADLM O=C(c1s[n-]c(=O)c1Cl)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000648893197 453370450 /nfs/dbraw/zinc/37/04/50/453370450.db2.gz VCPZDKOAYSKLFX-YFKPBYRVSA-N -1 2 329.769 1.346 20 0 EDADLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1 ZINC000673982549 487176352 /nfs/dbraw/zinc/17/63/52/487176352.db2.gz DTOPBGUSBPFRBU-UHFFFAOYSA-N -1 2 333.369 1.782 20 0 EDADLM CC(C)n1cc(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cn1 ZINC000736532775 578996377 /nfs/dbraw/zinc/99/63/77/578996377.db2.gz NNCICMGZPGWLQJ-UHFFFAOYSA-N -1 2 349.372 1.839 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000739722928 579241384 /nfs/dbraw/zinc/24/13/84/579241384.db2.gz KSEVBJAQKHEFRL-QMMMGPOBSA-N -1 2 336.373 1.355 20 0 EDADLM COc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000788757614 580729164 /nfs/dbraw/zinc/72/91/64/580729164.db2.gz UTDMYMGPINYXNI-UHFFFAOYSA-N -1 2 345.764 1.581 20 0 EDADLM COCCC[N@H+](Cc1ccc(O)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000891513277 591099879 /nfs/dbraw/zinc/09/98/79/591099879.db2.gz GZTZPJNWWXQUOZ-ZDUSSCGKSA-N -1 2 331.409 1.557 20 0 EDADLM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000909939930 592725375 /nfs/dbraw/zinc/72/53/75/592725375.db2.gz ZJDDEDNZWUXEHF-AWEZNQCLSA-N -1 2 331.727 1.891 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cn1 ZINC000821106625 593967036 /nfs/dbraw/zinc/96/70/36/593967036.db2.gz KRGAIBBVFBOXMZ-UHFFFAOYSA-N -1 2 346.368 1.950 20 0 EDADLM Cc1cc(C)c(-c2nn[nH]n2)c(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)[nH+]1 ZINC000822191076 594005872 /nfs/dbraw/zinc/00/58/72/594005872.db2.gz FPNQBOCSTTVMDQ-OCCSQVGLSA-N -1 2 343.435 1.035 20 0 EDADLM C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824772605 594071862 /nfs/dbraw/zinc/07/18/62/594071862.db2.gz VMZOTJKIIKYQCY-LBPRGKRZSA-N -1 2 337.387 1.893 20 0 EDADLM C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824772605 594071864 /nfs/dbraw/zinc/07/18/64/594071864.db2.gz VMZOTJKIIKYQCY-LBPRGKRZSA-N -1 2 337.387 1.893 20 0 EDADLM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2O)CCO1 ZINC000825325014 594167156 /nfs/dbraw/zinc/16/71/56/594167156.db2.gz IBZJSNJMYAINJD-HQJQHLMTSA-N -1 2 346.742 1.682 20 0 EDADLM CC(=O)c1cccc(S(=O)(=O)Nc2csnc2C(=O)[O-])c1 ZINC000825965133 594293168 /nfs/dbraw/zinc/29/31/68/594293168.db2.gz ZOVMJLKORYYEMF-UHFFFAOYSA-N -1 2 326.355 1.845 20 0 EDADLM CC1(C)C(C(=O)NS(=O)(=O)c2ccsc2C(=O)[O-])C1(C)C ZINC000828046432 594329904 /nfs/dbraw/zinc/32/99/04/594329904.db2.gz XWWNKXUORYWETK-UHFFFAOYSA-N -1 2 331.415 1.933 20 0 EDADLM C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(C(=O)[O-])ccn3)ccc2O1 ZINC000828516016 594442426 /nfs/dbraw/zinc/44/24/26/594442426.db2.gz HPXRANIKANPJBX-SECBINFHSA-N -1 2 334.353 1.904 20 0 EDADLM C[C@H]1Cc2cc(S(=O)(=O)Nc3csnc3C(=O)[O-])ccc2O1 ZINC000828516979 594443229 /nfs/dbraw/zinc/44/32/29/594443229.db2.gz WAKYJJGOXCGFQO-ZETCQYMHSA-N -1 2 340.382 1.966 20 0 EDADLM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c(C)n1 ZINC000832419345 594749074 /nfs/dbraw/zinc/74/90/74/594749074.db2.gz IFQVDWQPIFTBTQ-UHFFFAOYSA-N -1 2 328.371 1.959 20 0 EDADLM Cc1cn2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])ccc2[nH+]1 ZINC000832985646 594789169 /nfs/dbraw/zinc/78/91/69/594789169.db2.gz WKRNGJOVBFYJHW-UHFFFAOYSA-N -1 2 338.370 1.598 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)NC(=O)C[C@H]1CCCCO1 ZINC000833094643 594797256 /nfs/dbraw/zinc/79/72/56/594797256.db2.gz ZAWXHZCUOQIVHA-MRVPVSSYSA-N -1 2 333.387 1.210 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(Cl)c2O)cn1 ZINC000833274239 594818681 /nfs/dbraw/zinc/81/86/81/594818681.db2.gz VBRXMLFYMVKWQA-UHFFFAOYSA-N -1 2 331.737 1.128 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1F ZINC000848686416 595428816 /nfs/dbraw/zinc/42/88/16/595428816.db2.gz SLJUDSQIQAPXGH-CDUCUWFYSA-N -1 2 347.261 1.961 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cccc3nsnc32)c(C(=O)[O-])[nH]1 ZINC000387566586 600176611 /nfs/dbraw/zinc/17/66/11/600176611.db2.gz MIEXHAZWICJSSD-UHFFFAOYSA-N -1 2 338.370 1.827 20 0 EDADLM Cc1nc(NS(=O)(=O)c2cccnc2Cl)sc1C(=O)[O-] ZINC000738865583 600513369 /nfs/dbraw/zinc/51/33/69/600513369.db2.gz WPSQNIYGWHFPGC-UHFFFAOYSA-N -1 2 333.778 1.999 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000318121548 601501787 /nfs/dbraw/zinc/50/17/87/601501787.db2.gz QGODONSIPDKJDH-UHFFFAOYSA-N -1 2 343.386 1.365 20 0 EDADLM COc1ccnc(C[NH+]2CCC(NC(=O)c3ncccc3O)CC2)c1 ZINC001002659993 709239543 /nfs/dbraw/zinc/23/95/43/709239543.db2.gz NMWNXPGCXWSRKR-UHFFFAOYSA-N -1 2 342.399 1.585 20 0 EDADLM Cc1nc(C)c(CC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(=O)[nH]1 ZINC000124274557 138325462 /nfs/dbraw/zinc/32/54/62/138325462.db2.gz KTOIMRPBKMWGKY-ABAIWWIYSA-N -1 2 329.404 1.235 20 0 EDADLM CCCCOc1cc(C[N@@H+]2CCN3C(=O)NC(=O)[C@H]3C2)ccc1OC ZINC000355329651 150219799 /nfs/dbraw/zinc/21/97/99/150219799.db2.gz WCEFHXYSTBDLMR-CQSZACIVSA-N -1 2 347.415 1.610 20 0 EDADLM O=C([O-])c1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000357476100 151042876 /nfs/dbraw/zinc/04/28/76/151042876.db2.gz OTXJBGMNXRNFGU-UHFFFAOYSA-N -1 2 331.300 1.647 20 0 EDADLM C[C@H]1C[C@@H](NC(=O)c2cccc(=O)n2O)CC[N@@H+]1Cc1ccccc1 ZINC000373835637 157026344 /nfs/dbraw/zinc/02/63/44/157026344.db2.gz MEIFBNVAGFGTKZ-HOCLYGCPSA-N -1 2 341.411 1.869 20 0 EDADLM O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NOCC(F)(F)F ZINC000378181022 158102604 /nfs/dbraw/zinc/10/26/04/158102604.db2.gz YWBVGVZXYPFKIM-CYBMUJFWSA-N -1 2 332.322 1.888 20 0 EDADLM O=S(=O)(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cncc(Cl)c1 ZINC000378306810 158134488 /nfs/dbraw/zinc/13/44/88/158134488.db2.gz BXNUGTHOLNFMPO-OLZOCXBDSA-N -1 2 345.852 1.267 20 0 EDADLM O=S(=O)(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cncc(Cl)c1 ZINC000378306812 158134591 /nfs/dbraw/zinc/13/45/91/158134591.db2.gz BXNUGTHOLNFMPO-QWHCGFSZSA-N -1 2 345.852 1.267 20 0 EDADLM O=C([O-])c1ccc2cccnc2c1NS(=O)(=O)[C@H]1CCCOC1 ZINC000275123987 273101896 /nfs/dbraw/zinc/10/18/96/273101896.db2.gz UIJFFHCLHXVXFN-NSHDSACASA-N -1 2 336.369 1.854 20 0 EDADLM CS(=O)(=O)Cc1noc(=NC(=O)c2ccc3ccccc3c2O)[n-]1 ZINC000436537326 305159887 /nfs/dbraw/zinc/15/98/87/305159887.db2.gz OZMQKALXISDKQT-UHFFFAOYSA-N -1 2 347.352 1.147 20 0 EDADLM CS(=O)(=O)Cc1nc(=NC(=O)c2ccc3ccccc3c2O)o[n-]1 ZINC000436537326 305159888 /nfs/dbraw/zinc/15/98/88/305159888.db2.gz OZMQKALXISDKQT-UHFFFAOYSA-N -1 2 347.352 1.147 20 0 EDADLM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc2nn[nH]c2c1 ZINC000426296945 447413797 /nfs/dbraw/zinc/41/37/97/447413797.db2.gz VMPPBAALZCXCHC-UHFFFAOYSA-N -1 2 348.340 1.471 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000179965784 442522783 /nfs/dbraw/zinc/52/27/83/442522783.db2.gz DMOGARBHCNIEGQ-NXEZZACHSA-N -1 2 349.412 1.834 20 0 EDADLM O=S(=O)(CCOCC(F)(F)F)[N-]c1ccc(F)c(F)c1O ZINC000414381164 319326189 /nfs/dbraw/zinc/32/61/89/319326189.db2.gz ICJPUQMEFYSVAI-UHFFFAOYSA-N -1 2 335.250 1.991 20 0 EDADLM Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279007446 443487978 /nfs/dbraw/zinc/48/79/78/443487978.db2.gz DRZBEHRYUSJSJM-GOSISDBHSA-N -1 2 340.383 1.824 20 0 EDADLM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C[N@@H+]1C1CC1 ZINC000441777473 320101535 /nfs/dbraw/zinc/10/15/35/320101535.db2.gz NUHVRCHOULAFFA-GWCFXTLKSA-N -1 2 328.372 1.385 20 0 EDADLM O=c1[nH]nc([C@H]2CCC[N@H+]([C@@H]3CCc4ccccc4NC3=O)C2)o1 ZINC000298623999 443820421 /nfs/dbraw/zinc/82/04/21/443820421.db2.gz VCUYWTFOHDYQQM-GXTWGEPZSA-N -1 2 328.372 1.496 20 0 EDADLM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000288980586 444026737 /nfs/dbraw/zinc/02/67/37/444026737.db2.gz YIZTZKIHDDSGGN-JGVFFNPUSA-N -1 2 336.298 1.888 20 0 EDADLM Cn1ccnc1CN1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000562680775 321069558 /nfs/dbraw/zinc/06/95/58/321069558.db2.gz BJESMZDHJIFALF-UHFFFAOYSA-N -1 2 328.420 1.111 20 0 EDADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C(N)=O ZINC000349261334 445550595 /nfs/dbraw/zinc/55/05/95/445550595.db2.gz PGFFFCQZFMIFRN-UHFFFAOYSA-N -1 2 340.382 1.654 20 0 EDADLM COc1ccc(C[N@@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1OCC(C)C ZINC000354191218 445984719 /nfs/dbraw/zinc/98/47/19/445984719.db2.gz SZNSLDBSNAZZDT-AWEZNQCLSA-N -1 2 347.415 1.466 20 0 EDADLM Cc1c(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cnn1C ZINC000427344346 447584376 /nfs/dbraw/zinc/58/43/76/447584376.db2.gz IACARFJFTXJOGS-SNVBAGLBSA-N -1 2 337.401 1.793 20 0 EDADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)Cc1ccon1 ZINC000548593518 449063020 /nfs/dbraw/zinc/06/30/20/449063020.db2.gz QMARTRLUARCSBE-UHFFFAOYSA-N -1 2 330.293 1.462 20 0 EDADLM COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1cccc2[nH]nnc21 ZINC000600456717 449387612 /nfs/dbraw/zinc/38/76/12/449387612.db2.gz MOHNUNNARLMZJR-ZWNOBZJWSA-N -1 2 332.360 1.046 20 0 EDADLM O=C([O-])c1sccc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000740289300 579327415 /nfs/dbraw/zinc/32/74/15/579327415.db2.gz ILPUIRKPCUTBNW-UHFFFAOYSA-N -1 2 325.371 1.915 20 0 EDADLM Cc1ccc2c([n-]cc(C(=O)N3CC[C@H](NC(=O)[O-])[C@H](C)C3)c2=O)[nH+]1 ZINC000740153418 579294353 /nfs/dbraw/zinc/29/43/53/579294353.db2.gz KMWUSGXRUPGUQT-RNCFNFMXSA-N -1 2 344.371 1.762 20 0 EDADLM Cc1ccc2c(n1)[nH]cc(C(=O)N1CC[C@H](NC(=O)[O-])[C@H](C)C1)c2=O ZINC000740153418 579294354 /nfs/dbraw/zinc/29/43/54/579294354.db2.gz KMWUSGXRUPGUQT-RNCFNFMXSA-N -1 2 344.371 1.762 20 0 EDADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000765053593 580134122 /nfs/dbraw/zinc/13/41/22/580134122.db2.gz CXHAHUGOZJKPSK-UHFFFAOYSA-N -1 2 331.737 1.278 20 0 EDADLM Cn1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000776427104 580417023 /nfs/dbraw/zinc/41/70/23/580417023.db2.gz NWKRMWHFGKRYFH-UHFFFAOYSA-N -1 2 349.290 1.938 20 0 EDADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@@H](CC(=O)[O-])c1ccncc1 ZINC000899944792 591832865 /nfs/dbraw/zinc/83/28/65/591832865.db2.gz WJRZAGJEAHMUCG-PSASIEDQSA-N -1 2 340.323 1.510 20 0 EDADLM CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000737076499 593063017 /nfs/dbraw/zinc/06/30/17/593063017.db2.gz QCZGUBMFNLWLEF-UHFFFAOYSA-N -1 2 335.385 1.252 20 0 EDADLM c1sc(C[NH2+]Cc2cn(-c3ccccc3)nn2)cc1-c1nn[nH]n1 ZINC000823771713 593855268 /nfs/dbraw/zinc/85/52/68/593855268.db2.gz CZFADIKJDYKQCB-UHFFFAOYSA-N -1 2 338.400 1.799 20 0 EDADLM C[N@H+](Cc1ccco1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821615787 593881629 /nfs/dbraw/zinc/88/16/29/593881629.db2.gz NLFLMPXBUYZHJV-LBPRGKRZSA-N -1 2 344.400 1.759 20 0 EDADLM C[N@@H+](Cc1ccco1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821615787 593881632 /nfs/dbraw/zinc/88/16/32/593881632.db2.gz NLFLMPXBUYZHJV-LBPRGKRZSA-N -1 2 344.400 1.759 20 0 EDADLM Cc1cc(S(=O)(=O)NC(=O)[C@]2(C)CCN(C(=O)[O-])C2)c(C)s1 ZINC000830133351 594342106 /nfs/dbraw/zinc/34/21/06/594342106.db2.gz RSHCHCRVIOJVQN-CYBMUJFWSA-N -1 2 346.430 1.560 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000830334842 594377173 /nfs/dbraw/zinc/37/71/73/594377173.db2.gz DJSJQUUPONXUBA-UHFFFAOYSA-N -1 2 349.340 1.878 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)S1 ZINC000833087602 594796924 /nfs/dbraw/zinc/79/69/24/594796924.db2.gz AZPRFVLCIXQCPU-WPRPVWTQSA-N -1 2 341.776 1.138 20 0 EDADLM N=C1NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)S1 ZINC000833088911 594797067 /nfs/dbraw/zinc/79/70/67/594797067.db2.gz JVETVYYMAZPDNV-QMMMGPOBSA-N -1 2 327.749 1.533 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)S1 ZINC000833088911 594797068 /nfs/dbraw/zinc/79/70/68/594797068.db2.gz JVETVYYMAZPDNV-QMMMGPOBSA-N -1 2 327.749 1.533 20 0 EDADLM O=C([O-])c1ccc(NC(=O)NCc2n[nH]c(=O)[nH]2)c(OC(F)F)c1 ZINC000833147434 594801264 /nfs/dbraw/zinc/80/12/64/594801264.db2.gz CZOMFRYBAWPZCN-UHFFFAOYSA-N -1 2 343.246 1.132 20 0 EDADLM O=C([O-])C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C1CC1 ZINC000833200570 594804060 /nfs/dbraw/zinc/80/40/60/594804060.db2.gz ULQQWVROHRLFEQ-LBPRGKRZSA-N -1 2 333.319 1.700 20 0 EDADLM C[N@@H+]1C[C@@H]2CCCN(C(=O)C3=NN(c4ccccc4)CC3=O)[C@@H]2C1 ZINC000563806272 306347800 /nfs/dbraw/zinc/34/78/00/306347800.db2.gz ZSLHQYOSFXBLGQ-DZGCQCFKSA-N -1 2 326.400 1.744 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1C(=O)[O-] ZINC000414175489 304104565 /nfs/dbraw/zinc/10/45/65/304104565.db2.gz IHWKKQRCHNTCBJ-UHFFFAOYSA-N -1 2 339.373 1.972 20 0 EDADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)C1(COC)CC1 ZINC000566072191 306397983 /nfs/dbraw/zinc/39/79/83/306397983.db2.gz YWYJCLZVPZKBCS-UHFFFAOYSA-N -1 2 347.364 1.843 20 0 EDADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1O ZINC000436890003 305168892 /nfs/dbraw/zinc/16/88/92/305168892.db2.gz ARHGWPYECLIZBD-UHFFFAOYSA-N -1 2 347.299 1.353 20 0 EDADLM CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000437007390 305172043 /nfs/dbraw/zinc/17/20/43/305172043.db2.gz XQPINHHDSGSGRG-UHFFFAOYSA-N -1 2 338.341 1.432 20 0 EDADLM CCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000489016303 305560946 /nfs/dbraw/zinc/56/09/46/305560946.db2.gz RWOMORZWKGWFLE-UHFFFAOYSA-N -1 2 329.403 1.851 20 0 EDADLM COc1cc(C)c(NS(=O)(=O)c2cnn(C)c2)c(C(=O)[O-])c1 ZINC000548239155 306122024 /nfs/dbraw/zinc/12/20/24/306122024.db2.gz WHNZXQBSOVIGRS-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000186812237 442615629 /nfs/dbraw/zinc/61/56/29/442615629.db2.gz ILIMAEKSFKQOSU-UHFFFAOYSA-N -1 2 348.309 1.553 20 0 EDADLM Cc1ccc2c([n-]cc(C(=O)NCC[N@@H+]3CCCOCC3)c2=O)[nH+]1 ZINC000190074695 443054073 /nfs/dbraw/zinc/05/40/73/443054073.db2.gz SQXIRQBPEZWFJE-UHFFFAOYSA-N -1 2 330.388 1.096 20 0 EDADLM Cc1ccc2c([n-]cc(C(=O)NCC[N@H+]3CCCOCC3)c2=O)[nH+]1 ZINC000190074695 443054074 /nfs/dbraw/zinc/05/40/74/443054074.db2.gz SQXIRQBPEZWFJE-UHFFFAOYSA-N -1 2 330.388 1.096 20 0 EDADLM Cn1ncc(NS(=O)(=O)c2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000538742796 320746243 /nfs/dbraw/zinc/74/62/43/320746243.db2.gz UQEATMSCDLGAIA-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM CCn1cncc1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])cc1OC ZINC000548264654 320869656 /nfs/dbraw/zinc/86/96/56/320869656.db2.gz TVHXOCFDGNBBHF-UHFFFAOYSA-N -1 2 343.336 1.550 20 0 EDADLM C[C@H](NS(=O)(=O)CC(F)(F)F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563078670 321094604 /nfs/dbraw/zinc/09/46/04/321094604.db2.gz ATDGBSIJPISYTA-ONGXEEELSA-N -1 2 339.335 1.800 20 0 EDADLM Cc1ccc2c(=O)c(C(=O)N3CCC[C@H](CC(=O)[O-])C3)c[nH]c2n1 ZINC000564968912 321161343 /nfs/dbraw/zinc/16/13/43/321161343.db2.gz NKVQCLYCVGXJOR-LLVKDONJSA-N -1 2 329.356 1.971 20 0 EDADLM CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2c(F)ccc(O)c2F)CC1 ZINC000294933616 444160176 /nfs/dbraw/zinc/16/01/76/444160176.db2.gz OYLMDCLBJDAQDX-GFCCVEGCSA-N -1 2 341.402 1.703 20 0 EDADLM COc1ccc(S(=O)(=O)Nc2cc(C)n(C)n2)cc1C(=O)[O-] ZINC000318929712 444321846 /nfs/dbraw/zinc/32/18/46/444321846.db2.gz FJNMUNTURDDRLJ-UHFFFAOYSA-N -1 2 325.346 1.236 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1C(=O)[O-] ZINC000340578021 444447530 /nfs/dbraw/zinc/44/75/30/444447530.db2.gz HOTROQOIMJXMFM-UHFFFAOYSA-N -1 2 338.267 1.266 20 0 EDADLM CCOc1nc2cc(C(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)ccc2[nH]1 ZINC000329212026 444502945 /nfs/dbraw/zinc/50/29/45/444502945.db2.gz ZQDGDNIPLNUJIH-HZPDHXFCSA-N -1 2 344.415 1.507 20 0 EDADLM CCOc1nc2cc(C(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)ccc2[nH]1 ZINC000329212026 444502948 /nfs/dbraw/zinc/50/29/48/444502948.db2.gz ZQDGDNIPLNUJIH-HZPDHXFCSA-N -1 2 344.415 1.507 20 0 EDADLM COc1ccc(NS(=O)(=O)c2cn(C(C)C)cn2)c(C(=O)[O-])c1 ZINC000349106066 445508307 /nfs/dbraw/zinc/50/83/07/445508307.db2.gz IQXWNXFQRVLIIB-UHFFFAOYSA-N -1 2 339.373 1.972 20 0 EDADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)cnc1N ZINC000358563608 445652940 /nfs/dbraw/zinc/65/29/40/445652940.db2.gz ILHYVDFRSHPRTH-UHFFFAOYSA-N -1 2 337.357 1.480 20 0 EDADLM O=S(=O)(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c(F)cccc1F ZINC000363439755 445804524 /nfs/dbraw/zinc/80/45/24/445804524.db2.gz MCABTIUAIDUEHD-WDEREUQCSA-N -1 2 332.372 1.106 20 0 EDADLM O=C([O-])[C@@H](CNS(=O)(=O)CC(F)(F)F)c1ccc(F)cc1 ZINC000582299258 325815566 /nfs/dbraw/zinc/81/55/66/325815566.db2.gz DAXFMCYORNMEIW-VIFPVBQESA-N -1 2 329.271 1.476 20 0 EDADLM C[C@@H](CONC(=O)[C@@H]1CCn2c[nH+]cc2C1)NC(=O)OC(C)(C)C ZINC000366718006 446321921 /nfs/dbraw/zinc/32/19/21/446321921.db2.gz FJGFUSYETBETRE-NWDGAFQWSA-N -1 2 338.408 1.407 20 0 EDADLM C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccccn2)C[C@@H](C)O1 ZINC000578913956 448669959 /nfs/dbraw/zinc/66/99/59/448669959.db2.gz CLBPNMXESFPRJG-CHWSQXEVSA-N -1 2 327.450 1.248 20 0 EDADLM COc1cc(S(=O)(=O)Nc2cnoc2)c(Cl)cc1C(=O)[O-] ZINC000674050003 487192248 /nfs/dbraw/zinc/19/22/48/487192248.db2.gz FKEAEMZZCJERHP-UHFFFAOYSA-N -1 2 332.721 1.836 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cnc1Cl ZINC000769880828 580247735 /nfs/dbraw/zinc/24/77/35/580247735.db2.gz HGBGHDIDUXSEMQ-UHFFFAOYSA-N -1 2 330.753 1.276 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC000776613181 580424218 /nfs/dbraw/zinc/42/42/18/580424218.db2.gz JCSNIDFSJIIDSL-GXSJLCMTSA-N -1 2 339.335 1.943 20 0 EDADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000788454599 580721616 /nfs/dbraw/zinc/72/16/16/580721616.db2.gz MGBZUFBSOAFNAR-WCBMZHEXSA-N -1 2 325.308 1.725 20 0 EDADLM C[C@@H]1C[N@@H+](Cc2ccc(O)c(F)c2)CCN1c1nccn2cnnc12 ZINC000892213318 590867917 /nfs/dbraw/zinc/86/79/17/590867917.db2.gz WWYSTGSNSVLVBM-GFCCVEGCSA-N -1 2 342.378 1.680 20 0 EDADLM CCOC(=O)c1n[nH]c([C@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)n1 ZINC000895232817 591670042 /nfs/dbraw/zinc/67/00/42/591670042.db2.gz IXFZGSIZHWOQQT-JTQLQIEISA-N -1 2 328.376 1.719 20 0 EDADLM CCOC(=O)c1n[nH]c([C@@H](C)[NH2+]Cc2ccc3c(c2)ncn3C)n1 ZINC000895232818 591670083 /nfs/dbraw/zinc/67/00/83/591670083.db2.gz IXFZGSIZHWOQQT-SNVBAGLBSA-N -1 2 328.376 1.719 20 0 EDADLM CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2cc(OC)ccc2OC)[n-]1 ZINC000895236672 591671351 /nfs/dbraw/zinc/67/13/51/591671351.db2.gz OTHGIHDBUXGSJJ-JTQLQIEISA-N -1 2 334.376 1.849 20 0 EDADLM COc1ncccc1S(=O)(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000907261860 592575494 /nfs/dbraw/zinc/57/54/94/592575494.db2.gz KPPPKZKJCYDOOG-UHFFFAOYSA-N -1 2 346.412 1.567 20 0 EDADLM O=C([O-])CN(C(=O)c1cc(F)c(O)c(Cl)c1)C1CCOCC1 ZINC000909023608 592716325 /nfs/dbraw/zinc/71/63/25/592716325.db2.gz GIOVQHGPVGFXDJ-UHFFFAOYSA-N -1 2 331.727 1.891 20 0 EDADLM Cc1ccc(Cc2nc(C(=O)Nn3c(=O)[n-][nH]c3=O)cs2)cc1 ZINC000820283047 593805992 /nfs/dbraw/zinc/80/59/92/593805992.db2.gz RZJUTFBNBQXUCO-UHFFFAOYSA-N -1 2 331.357 1.429 20 0 EDADLM C[N@@H+](Cc1cc(-c2nn[nH]n2)ccc1F)CC(C)(C)S(C)(=O)=O ZINC000821607617 593879506 /nfs/dbraw/zinc/87/95/06/593879506.db2.gz WSIKVEAYBKOESC-UHFFFAOYSA-N -1 2 341.412 1.261 20 0 EDADLM CC(C)[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCN(C(=O)[O-])CC2)CC1 ZINC000824362696 593993553 /nfs/dbraw/zinc/99/35/53/593993553.db2.gz GWSUOKYNAMINRQ-UHFFFAOYSA-N -1 2 340.468 1.003 20 0 EDADLM CCc1nnc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])s1 ZINC000830335779 594377591 /nfs/dbraw/zinc/37/75/91/594377591.db2.gz XHCZVJGIHOQDHP-UHFFFAOYSA-N -1 2 331.350 1.739 20 0 EDADLM CC(C)C[C@H](NC(=O)COC(=O)c1cc(F)c(O)c(F)c1)C(=O)[O-] ZINC000826794182 594577383 /nfs/dbraw/zinc/57/73/83/594577383.db2.gz VWCVSIWMSAIHGG-NSHDSACASA-N -1 2 345.298 1.443 20 0 EDADLM N=C1NC(=O)C(CC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)S1 ZINC000831241488 594590064 /nfs/dbraw/zinc/59/00/64/594590064.db2.gz WTSYDZYBWUDEIO-LLVKDONJSA-N -1 2 348.384 1.218 20 0 EDADLM N=C1NC(=O)[C@@H](CC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)S1 ZINC000831241488 594590067 /nfs/dbraw/zinc/59/00/67/594590067.db2.gz WTSYDZYBWUDEIO-LLVKDONJSA-N -1 2 348.384 1.218 20 0 EDADLM COCc1ccccc1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000831821630 594705365 /nfs/dbraw/zinc/70/53/65/594705365.db2.gz CBDOGGLISOCXFA-UHFFFAOYSA-N -1 2 328.371 1.789 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cnccc2-n2cccn2)cc1C(=O)[O-] ZINC000833056202 594794791 /nfs/dbraw/zinc/79/47/91/594794791.db2.gz ZBCHRUJDBGTMDU-UHFFFAOYSA-N -1 2 347.356 1.105 20 0 EDADLM O=C([O-])Cn1cc(NS(=O)(=O)c2cccc3c2CCCC3)cn1 ZINC000833274700 594818714 /nfs/dbraw/zinc/81/87/14/594818714.db2.gz MFDBUOMCQXRUPC-UHFFFAOYSA-N -1 2 335.385 1.647 20 0 EDADLM O=C([O-])Cn1cnc(NS(=O)(=O)/C=C\c2ccccc2Cl)n1 ZINC000833276818 594818882 /nfs/dbraw/zinc/81/88/82/594818882.db2.gz BEHUVKQNAZONNI-WAYWQWQTSA-N -1 2 342.764 1.429 20 0 EDADLM CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000833452225 594850423 /nfs/dbraw/zinc/85/04/23/594850423.db2.gz RODKJZGCCDBXIV-UHFFFAOYSA-N -1 2 330.391 1.594 20 0 EDADLM O=C([O-])Cc1csc(NS(=O)(=O)c2cc(F)ccc2F)n1 ZINC000037377264 600050957 /nfs/dbraw/zinc/05/09/57/600050957.db2.gz PHZWEUZLJGFGSW-UHFFFAOYSA-N -1 2 334.325 1.849 20 0 EDADLM CN(Cc1nc(=O)c2sccc2[nH]1)S(=O)(=O)CCCC(=O)[O-] ZINC000314546030 600491951 /nfs/dbraw/zinc/49/19/51/600491951.db2.gz DLZLLDYHBJDLLD-UHFFFAOYSA-N -1 2 345.402 1.023 20 0 EDADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000035651766 600673574 /nfs/dbraw/zinc/67/35/74/600673574.db2.gz JKVSBONSWZBYRX-UHFFFAOYSA-N -1 2 333.728 1.561 20 0 EDADLM CCN(C(=O)C1CCCC1)[C@@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000997903537 704877799 /nfs/dbraw/zinc/87/77/99/704877799.db2.gz XUXAOCWZMGTIHM-OAHLLOKOSA-N -1 2 349.479 1.502 20 0 EDADLM CCn1cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1C(=O)[O-] ZINC000281316299 540074883 /nfs/dbraw/zinc/07/48/83/540074883.db2.gz ZLOIFMRKDZMOEN-UHFFFAOYSA-N -1 2 340.405 1.864 20 0 EDADLM C[C@@H](CN(C)C(=O)N=c1nc(-c2ccsc2)[nH]s1)C(=O)[O-] ZINC000417782965 251268449 /nfs/dbraw/zinc/26/84/49/251268449.db2.gz GMIWKKOPDBAFPH-ZETCQYMHSA-N -1 2 326.403 1.873 20 0 EDADLM Cc1ccsc1-c1nc(=NC(=O)N(C)CCC(=O)[O-])s[nH]1 ZINC000417805319 251276810 /nfs/dbraw/zinc/27/68/10/251276810.db2.gz ZWMNREFYAIPDKZ-UHFFFAOYSA-N -1 2 326.403 1.935 20 0 EDADLM C[C@@H]1CCCc2nc(S(=O)(=O)NCC[NH+]3CCSCC3)cn21 ZINC000333145079 141271589 /nfs/dbraw/zinc/27/15/89/141271589.db2.gz JYUGQAACRGPOOF-GFCCVEGCSA-N -1 2 344.506 1.108 20 0 EDADLM C[C@H]1CCCc2nc(S(=O)(=O)NCC[NH+]3CCSCC3)cn21 ZINC000333145080 141271630 /nfs/dbraw/zinc/27/16/30/141271630.db2.gz JYUGQAACRGPOOF-LBPRGKRZSA-N -1 2 344.506 1.108 20 0 EDADLM C[C@@H]1C[C@H](NC(=O)c2cccc(=O)n2O)CC[N@@H+]1Cc1ccccc1 ZINC000373835632 157025867 /nfs/dbraw/zinc/02/58/67/157025867.db2.gz MEIFBNVAGFGTKZ-GDBMZVCRSA-N -1 2 341.411 1.869 20 0 EDADLM Cc1c(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])cnn1C ZINC000291878654 289203913 /nfs/dbraw/zinc/20/39/13/289203913.db2.gz MRDINHCWMUWCEC-UHFFFAOYSA-N -1 2 337.401 1.937 20 0 EDADLM CC(C)n1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000517483138 305752601 /nfs/dbraw/zinc/75/26/01/305752601.db2.gz NJKMIIUHZKNQJN-UHFFFAOYSA-N -1 2 325.346 1.669 20 0 EDADLM Cc1ccc2cccc(S(=O)(=O)Nc3cnn(C)c3C(=O)[O-])c2n1 ZINC000539192227 306034688 /nfs/dbraw/zinc/03/46/88/306034688.db2.gz LGMQUBAFUHMVKI-UHFFFAOYSA-N -1 2 346.368 1.776 20 0 EDADLM Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192645196 442672046 /nfs/dbraw/zinc/67/20/46/442672046.db2.gz ARAALBNZTBIZEC-APPDUMDISA-N -1 2 348.378 1.135 20 0 EDADLM Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C2CC2)n1 ZINC000291086557 443748428 /nfs/dbraw/zinc/74/84/28/443748428.db2.gz KHZSNQVUTZTYLZ-UHFFFAOYSA-N -1 2 339.348 1.936 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])sc1Cl ZINC000530382601 320622501 /nfs/dbraw/zinc/62/25/01/320622501.db2.gz WTJIPHDEOBHQQV-UHFFFAOYSA-N -1 2 335.794 1.942 20 0 EDADLM C[C@@H](NS(=O)(=O)CC(F)(F)F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563078666 321094592 /nfs/dbraw/zinc/09/45/92/321094592.db2.gz ATDGBSIJPISYTA-KOLCDFICSA-N -1 2 339.335 1.800 20 0 EDADLM CC(C)N(C(=O)C[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1)c1ccccc1 ZINC000289440849 444144503 /nfs/dbraw/zinc/14/45/03/444144503.db2.gz OKTUZJATYYGHMM-AWEZNQCLSA-N -1 2 343.431 1.719 20 0 EDADLM COc1cc(CNS(=O)(=O)CC(F)(F)F)ccc1C(=O)[O-] ZINC000581009198 322123953 /nfs/dbraw/zinc/12/39/53/322123953.db2.gz CKDZFWBAZDDGQB-UHFFFAOYSA-N -1 2 327.280 1.375 20 0 EDADLM Cc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000342426677 444687547 /nfs/dbraw/zinc/68/75/47/444687547.db2.gz LSOKJNVAPAMKLP-VIFPVBQESA-N -1 2 338.389 1.990 20 0 EDADLM Cn1cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1C(=O)[O-] ZINC000342958269 444967112 /nfs/dbraw/zinc/96/71/12/444967112.db2.gz AADXCRWSEXPCLX-UHFFFAOYSA-N -1 2 326.378 1.476 20 0 EDADLM COC(=O)Cc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000358940292 445858394 /nfs/dbraw/zinc/85/83/94/445858394.db2.gz HWIOCARYQYIQLO-UHFFFAOYSA-N -1 2 336.782 1.036 20 0 EDADLM COCCCCS(=O)(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000577708395 448362874 /nfs/dbraw/zinc/36/28/74/448362874.db2.gz UYBWIICDSLKKIK-KGLIPLIRSA-N -1 2 327.402 1.646 20 0 EDADLM CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@@H](C(=O)[O-])C2)=N1 ZINC000579009282 448695400 /nfs/dbraw/zinc/69/54/00/448695400.db2.gz RYZCYNAHTUOOAE-GFCCVEGCSA-N -1 2 329.356 1.687 20 0 EDADLM COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000609910089 450116043 /nfs/dbraw/zinc/11/60/43/450116043.db2.gz KBFBKCWCOJAZTQ-UHFFFAOYSA-N -1 2 344.370 1.670 20 0 EDADLM CC(C)(C[NH+]1CCN(C(=O)c2ccccc2O)CC1)N1CCOCC1 ZINC000637946439 452193934 /nfs/dbraw/zinc/19/39/34/452193934.db2.gz GKLQGWHCTNWBGY-UHFFFAOYSA-N -1 2 347.459 1.261 20 0 EDADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1F ZINC000676076515 486658760 /nfs/dbraw/zinc/65/87/60/486658760.db2.gz SHBWAJJQZCYDCD-UHFFFAOYSA-N -1 2 337.332 1.992 20 0 EDADLM Cc1cc2cccnc2c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c1 ZINC000678716186 487356100 /nfs/dbraw/zinc/35/61/00/487356100.db2.gz AVOIFLCIUJBMHL-UHFFFAOYSA-N -1 2 346.368 1.776 20 0 EDADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000759704724 578645614 /nfs/dbraw/zinc/64/56/14/578645614.db2.gz DBTTYGYZOJSKOM-UHFFFAOYSA-N -1 2 333.728 1.712 20 0 EDADLM CC[C@H](O)C[NH+]1CCN(c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000736384223 578984722 /nfs/dbraw/zinc/98/47/22/578984722.db2.gz WJAJQYVRFWNLOW-NSHDSACASA-N -1 2 338.362 1.038 20 0 EDADLM COCc1csc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000737836342 579132131 /nfs/dbraw/zinc/13/21/31/579132131.db2.gz QZWBXUWFWJPIEJ-UHFFFAOYSA-N -1 2 346.361 1.928 20 0 EDADLM CSCCCCC(=O)NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000738191554 579169781 /nfs/dbraw/zinc/16/97/81/579169781.db2.gz LOXBGXRNSCPGCA-UHFFFAOYSA-N -1 2 337.444 1.785 20 0 EDADLM COc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)c(C)c1 ZINC000788130180 579277513 /nfs/dbraw/zinc/27/75/13/579277513.db2.gz FLDBMZSZYYFDLZ-UHFFFAOYSA-N -1 2 339.373 1.545 20 0 EDADLM Cc1cc(S(=O)(=O)Nc2ccn(C)n2)cc(C(=O)[O-])c1Cl ZINC000759095783 579998383 /nfs/dbraw/zinc/99/83/83/579998383.db2.gz TWHNAMLAGPINSY-UHFFFAOYSA-N -1 2 329.765 1.881 20 0 EDADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000765097474 580135247 /nfs/dbraw/zinc/13/52/47/580135247.db2.gz HTMYCTBSBGRARB-UHFFFAOYSA-N -1 2 329.765 1.501 20 0 EDADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000776458715 580417764 /nfs/dbraw/zinc/41/77/64/580417764.db2.gz NFOGNIFGQBSGRH-UHFFFAOYSA-N -1 2 331.737 1.278 20 0 EDADLM O=S(=O)(NCC[NH2+]Cc1c[nH]cn1)c1ccc(Cl)cc1F ZINC000894661123 591383914 /nfs/dbraw/zinc/38/39/14/591383914.db2.gz XAOHNFQCRFGXFP-UHFFFAOYSA-N -1 2 332.788 1.270 20 0 EDADLM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCc3nn[nH]c3C2)Cc2ccccc21 ZINC000909427451 591558776 /nfs/dbraw/zinc/55/87/76/591558776.db2.gz XVYOMDYKLCKRTA-GXFFZTMASA-N -1 2 326.356 1.120 20 0 EDADLM C[C@H]1C[N@H+](CCOC(=O)c2ccc(Br)[nH]c2=O)CCO1 ZINC000909804608 592844399 /nfs/dbraw/zinc/84/43/99/592844399.db2.gz CLFKBTCLSCXKMU-VIFPVBQESA-N -1 2 345.193 1.427 20 0 EDADLM CCOc1ccc(-c2nc(C(=O)Nn3c(=O)[n-][nH]c3=O)cs2)cc1 ZINC000816733569 593544694 /nfs/dbraw/zinc/54/46/94/593544694.db2.gz CMMVJQRBOPKWHS-UHFFFAOYSA-N -1 2 347.356 1.595 20 0 EDADLM