smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(C)c1c(F)cc(CNCCOC)cc1F ZINC000062735305 521513876 /nfs/dbraw/zinc/51/38/76/521513876.db2.gz VCLMFASDBCCXNR-UHFFFAOYSA-N 0 3 272.339 2.547 10 10 CFCEHN Cc1cc(Br)cc([C@H]([NH3+])C2CC2)c1[O-] ZINC000095717010 618288143 /nfs/dbraw/zinc/28/81/43/618288143.db2.gz FWBQXONZZJWACK-SNVBAGLBSA-N 0 3 256.143 2.873 10 10 CFCEHN CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000094617802 619132900 /nfs/dbraw/zinc/13/29/00/619132900.db2.gz ZGDXVCASVABOAG-WCQYABFASA-N 0 3 266.360 2.666 10 10 CFCEHN CCN1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228672004 620072900 /nfs/dbraw/zinc/07/29/00/620072900.db2.gz BYUXGSVXSZYPQN-CYBMUJFWSA-N 0 3 298.814 2.628 10 10 CFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000186101645 381822840 /nfs/dbraw/zinc/82/28/40/381822840.db2.gz XDEQILXFLDUTNJ-WWGRRREGSA-N 0 3 292.423 2.780 10 10 CFCEHN C[C@@H](N[C@H](C)c1cc(O)ccc1O)c1cccnc1 ZINC000020127683 171012703 /nfs/dbraw/zinc/01/27/03/171012703.db2.gz GEBISASRXFQNQR-GHMZBOCLSA-N 0 3 258.321 2.905 10 10 CFCEHN C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000022213785 171375035 /nfs/dbraw/zinc/37/50/35/171375035.db2.gz YQLDPZVXKCRWIL-UPJWGTAASA-N 0 3 275.396 2.574 10 10 CFCEHN C[C@H](c1ccc2ccccc2c1[O-])[NH+]1CCNCC1 ZINC000038086693 174097836 /nfs/dbraw/zinc/09/78/36/174097836.db2.gz SCNXNMKOKUEANE-GFCCVEGCSA-N 0 3 256.349 2.512 10 10 CFCEHN CN1CCC([NH2+]Cc2c([O-])ccc3ccccc32)CC1 ZINC000037267167 523777212 /nfs/dbraw/zinc/77/72/12/523777212.db2.gz KSTSMJSJXHJVKK-UHFFFAOYSA-N 0 3 270.376 2.729 10 10 CFCEHN Cc1ccc(O)c(CN[C@@H]2COc3ccccc32)c1 ZINC000070379942 525353168 /nfs/dbraw/zinc/35/31/68/525353168.db2.gz UXIRGQYJBBGLSK-CQSZACIVSA-N 0 3 255.317 2.924 10 10 CFCEHN Nc1cccc(Cl)c1N[C@H]1CCN2CCC[C@H]12 ZINC000049564693 527518634 /nfs/dbraw/zinc/51/86/34/527518634.db2.gz YHFHKJHAXZJKKU-NWDGAFQWSA-N 0 3 251.761 2.571 10 10 CFCEHN COc1cc(CN2CCS[C@@H](C)C2)c(O)cc1C ZINC000160146124 617603564 /nfs/dbraw/zinc/60/35/64/617603564.db2.gz YTTPGJBYQMAKEK-NSHDSACASA-N 0 3 267.394 2.647 10 10 CFCEHN COc1ccc(CN(C)Cc2ccc(N)cc2)cc1OC ZINC000034063556 346313653 /nfs/dbraw/zinc/31/36/53/346313653.db2.gz IUNHXXJSYUGADW-UHFFFAOYSA-N 0 3 286.375 2.918 10 10 CFCEHN Cc1ccc([O-])c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000092810954 375158388 /nfs/dbraw/zinc/15/83/88/375158388.db2.gz NFLRJWNNOMWUFZ-UHFFFAOYSA-N 0 3 271.364 2.803 10 10 CFCEHN C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCS1 ZINC000131301342 377691473 /nfs/dbraw/zinc/69/14/73/377691473.db2.gz YBMSMVFNYZNVTK-LBPRGKRZSA-N 0 3 250.411 2.690 10 10 CFCEHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1N(C)C ZINC000251671068 383393151 /nfs/dbraw/zinc/39/31/51/383393151.db2.gz HJPJXSRDNBLFNK-CXAGYDPISA-N 0 3 284.403 2.927 10 10 CFCEHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1N(C)C ZINC000251671068 383393153 /nfs/dbraw/zinc/39/31/53/383393153.db2.gz HJPJXSRDNBLFNK-CXAGYDPISA-N 0 3 284.403 2.927 10 10 CFCEHN COCCN[C@@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020550911 256810441 /nfs/dbraw/zinc/81/04/41/256810441.db2.gz ROWFWWFZUVWCCX-LBPRGKRZSA-N 0 3 266.360 2.723 10 10 CFCEHN C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(O)cc1[O-] ZINC000020121265 171000604 /nfs/dbraw/zinc/00/06/04/171000604.db2.gz LPIFARRHWKWHEE-WDEREUQCSA-N 0 3 258.321 2.905 10 10 CFCEHN CCCN(CCC)[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000022156175 171362365 /nfs/dbraw/zinc/36/23/65/171362365.db2.gz SWEGPAKSEHLQSU-LBPRGKRZSA-N 0 3 263.385 2.718 10 10 CFCEHN CC[C@@H](C)N(C)c1ccc(CNCCOC)cc1 ZINC000062735403 522065623 /nfs/dbraw/zinc/06/56/23/522065623.db2.gz TTYOHCQWDFNJQP-CYBMUJFWSA-N 0 3 250.386 2.657 10 10 CFCEHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1[O-] ZINC000228671059 522540021 /nfs/dbraw/zinc/54/00/21/522540021.db2.gz DJJGRQJBUPDBNI-SKDRFNHKSA-N 0 3 285.771 2.711 10 10 CFCEHN CC[C@H](C)N(C)c1ccc(CNCCOC)c(C)c1 ZINC000062735384 523924642 /nfs/dbraw/zinc/92/46/42/523924642.db2.gz HUFXYPIGCIRBRY-AWEZNQCLSA-N 0 3 264.413 2.966 10 10 CFCEHN COCCNCc1ccc(N2CC[C@@H](C)C2)cc1C ZINC000062736656 523951887 /nfs/dbraw/zinc/95/18/87/523951887.db2.gz XZMRDIXOKLWKCB-CYBMUJFWSA-N 0 3 262.397 2.577 10 10 CFCEHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]3CCCC[C@H]31)OCO2 ZINC000229104787 526337234 /nfs/dbraw/zinc/33/72/34/526337234.db2.gz FMEWYYZXGVVBMC-DGCLKSJQSA-N 0 3 275.348 2.885 10 10 CFCEHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]3CCCC[C@H]31)OCO2 ZINC000229104787 526337239 /nfs/dbraw/zinc/33/72/39/526337239.db2.gz FMEWYYZXGVVBMC-DGCLKSJQSA-N 0 3 275.348 2.885 10 10 CFCEHN Nc1cccc(Cl)c1N[C@@H]1CCN2CCC[C@H]12 ZINC000049564692 527518752 /nfs/dbraw/zinc/51/87/52/527518752.db2.gz YHFHKJHAXZJKKU-VXGBXAGGSA-N 0 3 251.761 2.571 10 10 CFCEHN CCC[C@H]([NH3+])c1cc(Br)cc(OC)c1[O-] ZINC000095767751 619167228 /nfs/dbraw/zinc/16/72/28/619167228.db2.gz VIRJTSFTAIIGLQ-VIFPVBQESA-N 0 3 274.158 2.963 10 10 CFCEHN CN(CCOc1ccc(N)cc1)Cc1ccc(F)cc1 ZINC000036797668 346325154 /nfs/dbraw/zinc/32/51/54/346325154.db2.gz FZBWDVJECDBVMC-UHFFFAOYSA-N 0 3 274.339 2.919 10 10 CFCEHN Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000180130922 380622308 /nfs/dbraw/zinc/62/23/08/380622308.db2.gz MADKAYRSOQJSKO-MRXNPFEDSA-N 0 3 285.391 2.870 10 10 CFCEHN Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000180130922 380622312 /nfs/dbraw/zinc/62/23/12/380622312.db2.gz MADKAYRSOQJSKO-MRXNPFEDSA-N 0 3 285.391 2.870 10 10 CFCEHN CN1Cc2ccccc2N[C@H](c2ccc(O)c(O)c2)C1 ZINC000199561016 382771952 /nfs/dbraw/zinc/77/19/52/382771952.db2.gz MCVVDPDRJKBMRV-AWEZNQCLSA-N 0 3 270.332 2.696 10 10 CFCEHN Cc1ccc([O-])c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CN2CCC1CC2 ZINC000019947781 170937416 /nfs/dbraw/zinc/93/74/16/170937416.db2.gz UISCYPDKGCBCNN-BPLDGKMQSA-N 0 3 286.419 2.933 10 10 CFCEHN COc1ccc(O)c(CN[C@H](C)c2ccncc2)c1 ZINC000020121840 171001193 /nfs/dbraw/zinc/00/11/93/171001193.db2.gz QRKYCFXGHFEFRQ-LLVKDONJSA-N 0 3 258.321 2.647 10 10 CFCEHN C[C@@H]([NH2+][C@H](C)c1ccc(O)cc1[O-])c1cccnc1 ZINC000020127619 171013061 /nfs/dbraw/zinc/01/30/61/171013061.db2.gz YCSPHRVHNLKWGI-GHMZBOCLSA-N 0 3 258.321 2.905 10 10 CFCEHN C[C@@H](N[C@@H](C)c1cccnc1)c1cc(O)ccc1O ZINC000020127684 171013301 /nfs/dbraw/zinc/01/33/01/171013301.db2.gz GEBISASRXFQNQR-WDEREUQCSA-N 0 3 258.321 2.905 10 10 CFCEHN CC(C)COCCC[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000020147249 171033912 /nfs/dbraw/zinc/03/39/12/171033912.db2.gz XVFFOBODAMOLNJ-LBPRGKRZSA-N 0 3 267.369 2.811 10 10 CFCEHN Nc1ccc(CN(Cc2cccnc2)C2CC2)cc1 ZINC000035365985 172157242 /nfs/dbraw/zinc/15/72/42/172157242.db2.gz APSHMNZIOJZBAR-UHFFFAOYSA-N 0 3 253.349 2.828 10 10 CFCEHN COc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)c([O-])c1 ZINC000038028712 174017053 /nfs/dbraw/zinc/01/70/53/174017053.db2.gz RAHJZNHRAOIVME-KBPBESRZSA-N 0 3 292.423 2.926 10 10 CFCEHN CC(C)C[C@H](CN(C)C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226606762 519341809 /nfs/dbraw/zinc/34/18/09/519341809.db2.gz DQNNUXSDGPPSEM-CQSZACIVSA-N 0 3 268.376 2.597 10 10 CFCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC(C)(C)C ZINC000076074445 521690239 /nfs/dbraw/zinc/69/02/39/521690239.db2.gz ZADNXARCZSYAMR-HNNXBMFYSA-N 0 3 295.423 2.780 10 10 CFCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COC(C)(C)C ZINC000076074445 521690241 /nfs/dbraw/zinc/69/02/41/521690241.db2.gz ZADNXARCZSYAMR-HNNXBMFYSA-N 0 3 295.423 2.780 10 10 CFCEHN C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(O)c1[O-] ZINC000049157392 524761607 /nfs/dbraw/zinc/76/16/07/524761607.db2.gz KWFCHXWHSSPALR-SNVBAGLBSA-N 0 3 263.362 2.880 10 10 CFCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000273609595 525365418 /nfs/dbraw/zinc/36/54/18/525365418.db2.gz VHSWNXUTZUURAY-SMDDNHRTSA-N 0 3 251.370 2.758 10 10 CFCEHN Oc1ccc(CNCc2ccc(F)cc2F)c(O)c1 ZINC000051016638 526345433 /nfs/dbraw/zinc/34/54/33/526345433.db2.gz COHJJOLRKBJCKK-UHFFFAOYSA-N 0 3 265.259 2.666 10 10 CFCEHN CCN(C)c1ccc([C@H](C)NCCn2cc(C)cn2)cc1 ZINC000124096459 377017439 /nfs/dbraw/zinc/01/74/39/377017439.db2.gz HZGMOJRBYNVOFG-HNNXBMFYSA-N 0 3 286.423 2.998 10 10 CFCEHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000131939899 377782010 /nfs/dbraw/zinc/78/20/10/377782010.db2.gz OUBALTNSWQDZQI-HNNXBMFYSA-N 0 3 271.364 2.771 10 10 CFCEHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000131939899 377782014 /nfs/dbraw/zinc/78/20/14/377782014.db2.gz OUBALTNSWQDZQI-HNNXBMFYSA-N 0 3 271.364 2.771 10 10 CFCEHN Cc1ccc(O)c(CN2CCC[C@H]2c2cnn(C)c2)c1 ZINC000131939899 377782022 /nfs/dbraw/zinc/78/20/22/377782022.db2.gz OUBALTNSWQDZQI-HNNXBMFYSA-N 0 3 271.364 2.771 10 10 CFCEHN Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180239627 380638333 /nfs/dbraw/zinc/63/83/33/380638333.db2.gz HLXNYAQOYATUMJ-OAHLLOKOSA-N 0 3 289.354 2.701 10 10 CFCEHN Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180239627 380638341 /nfs/dbraw/zinc/63/83/41/380638341.db2.gz HLXNYAQOYATUMJ-OAHLLOKOSA-N 0 3 289.354 2.701 10 10 CFCEHN Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC000180121022 380622184 /nfs/dbraw/zinc/62/21/84/380622184.db2.gz AYGZERPJDVHEGD-OAHLLOKOSA-N 0 3 289.354 2.873 10 10 CFCEHN Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC000180121022 380622190 /nfs/dbraw/zinc/62/21/90/380622190.db2.gz AYGZERPJDVHEGD-OAHLLOKOSA-N 0 3 289.354 2.873 10 10 CFCEHN C[C@@H](C[NH2+]Cc1ccccc1[O-])N(C)C(=O)OC(C)(C)C ZINC000282821694 385394595 /nfs/dbraw/zinc/39/45/95/385394595.db2.gz NIHZDPNKFUUNSS-LBPRGKRZSA-N 0 3 294.395 2.737 10 10 CFCEHN C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1[O-])c1cccnc1 ZINC000020127618 171012641 /nfs/dbraw/zinc/01/26/41/171012641.db2.gz YCSPHRVHNLKWGI-QWRGUYRKSA-N 0 3 258.321 2.905 10 10 CFCEHN C[C@@H](C[NH2+]Cc1ccc(O)cc1[O-])c1ccccc1 ZINC000020137075 171024552 /nfs/dbraw/zinc/02/45/52/171024552.db2.gz LLBKOWZBKMAVBZ-LBPRGKRZSA-N 0 3 257.333 2.991 10 10 CFCEHN CC(C)COCCC[NH2+][C@H](C)c1ccc(O)cc1[O-] ZINC000020147250 171033862 /nfs/dbraw/zinc/03/38/62/171033862.db2.gz XVFFOBODAMOLNJ-GFCCVEGCSA-N 0 3 267.369 2.811 10 10 CFCEHN C[C@@H](C(=O)Nc1ccc(N)cc1)N1C[C@H](C)C[C@H](C)C1 ZINC000022213788 171375145 /nfs/dbraw/zinc/37/51/45/171375145.db2.gz YQLDPZVXKCRWIL-XQQFMLRXSA-N 0 3 275.396 2.574 10 10 CFCEHN C[C@H](C[NH2+][C@@H](C)c1cc(O)ccc1[O-])N1CCCCC1 ZINC000038028427 174016995 /nfs/dbraw/zinc/01/69/95/174016995.db2.gz WKXOJOVXMBIBJZ-OLZOCXBDSA-N 0 3 278.396 2.623 10 10 CFCEHN CCN1CCC[C@@H](Nc2c(N)cccc2Cl)C1 ZINC000049193381 521625818 /nfs/dbraw/zinc/62/58/18/521625818.db2.gz NEQTVVOYFFFCAY-SNVBAGLBSA-N 0 3 253.777 2.818 10 10 CFCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000245861574 524745928 /nfs/dbraw/zinc/74/59/28/524745928.db2.gz OYXAZPFMKXYLSE-WMLDXEAASA-N 0 3 291.391 2.528 10 10 CFCEHN COc1ccc([O-])c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000245861574 524745935 /nfs/dbraw/zinc/74/59/35/524745935.db2.gz OYXAZPFMKXYLSE-WMLDXEAASA-N 0 3 291.391 2.528 10 10 CFCEHN C[C@H]1CCCCN1CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000164928482 526249121 /nfs/dbraw/zinc/24/91/21/526249121.db2.gz AKKMRBSTWBPZRH-ZDUSSCGKSA-N 0 3 280.387 2.885 10 10 CFCEHN C[C@H]1CCCC[N@@H+]1CCCNCc1cccc(F)c1[O-] ZINC000164928482 526249125 /nfs/dbraw/zinc/24/91/25/526249125.db2.gz AKKMRBSTWBPZRH-ZDUSSCGKSA-N 0 3 280.387 2.885 10 10 CFCEHN C[C@H]1CCCC[N@H+]1CCCNCc1cccc(F)c1[O-] ZINC000164928482 526249128 /nfs/dbraw/zinc/24/91/28/526249128.db2.gz AKKMRBSTWBPZRH-ZDUSSCGKSA-N 0 3 280.387 2.885 10 10 CFCEHN Oc1ccc(F)cc1CN[C@H]1COc2ccccc21 ZINC000226607624 526351651 /nfs/dbraw/zinc/35/16/51/526351651.db2.gz BMFKHQABBWITMS-ZDUSSCGKSA-N 0 3 259.280 2.755 10 10 CFCEHN Cc1cc(N2CCNCC2)ccc1OCc1ccccc1 ZINC000063063266 346695176 /nfs/dbraw/zinc/69/51/76/346695176.db2.gz OKWGMXISYAIOMR-UHFFFAOYSA-N 0 3 282.387 2.984 10 10 CFCEHN Cc1cc([O-])c([C@H]([NH3+])CF)c(C)c1Br ZINC000238475506 348246659 /nfs/dbraw/zinc/24/66/59/348246659.db2.gz ZRMQEQKXEDHCAQ-SSDOTTSWSA-N 0 3 262.122 2.741 10 10 CFCEHN CC1CCN(CCC[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000164939033 379028234 /nfs/dbraw/zinc/02/82/34/379028234.db2.gz WPXWLGNUHWBWCH-UHFFFAOYSA-N 0 3 280.387 2.743 10 10 CFCEHN CC1CC[NH+](CCCNCc2cccc(F)c2[O-])CC1 ZINC000164939033 379028241 /nfs/dbraw/zinc/02/82/41/379028241.db2.gz WPXWLGNUHWBWCH-UHFFFAOYSA-N 0 3 280.387 2.743 10 10 CFCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000180184951 380629929 /nfs/dbraw/zinc/62/99/29/380629929.db2.gz FSPCDAKWMVGWDJ-CJNGLKHVSA-N 0 3 279.355 2.658 10 10 CFCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000180184951 380629933 /nfs/dbraw/zinc/62/99/33/380629933.db2.gz FSPCDAKWMVGWDJ-CJNGLKHVSA-N 0 3 279.355 2.658 10 10 CFCEHN C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1[O-] ZINC000183606476 381293646 /nfs/dbraw/zinc/29/36/46/381293646.db2.gz VZSNHXTXAJVFBY-KGLIPLIRSA-N 0 3 298.390 2.502 10 10 CFCEHN Cc1cccc(C[N@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1[O-] ZINC000252730846 383430180 /nfs/dbraw/zinc/43/01/80/383430180.db2.gz NCFFDXXULYWNOM-ZBFHGGJFSA-N 0 3 274.408 2.759 10 10 CFCEHN Cc1cccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1[O-] ZINC000252730846 383430186 /nfs/dbraw/zinc/43/01/86/383430186.db2.gz NCFFDXXULYWNOM-ZBFHGGJFSA-N 0 3 274.408 2.759 10 10 CFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000020207104 171071494 /nfs/dbraw/zinc/07/14/94/171071494.db2.gz JSWAZCLCWIIPLE-HFAKWTLXSA-N 0 3 265.353 2.619 10 10 CFCEHN CC[C@@H](C)CN(C)c1ccc(CNCCOC)cc1 ZINC000062735507 521974966 /nfs/dbraw/zinc/97/49/66/521974966.db2.gz FDCJTRXOJKVXPW-CQSZACIVSA-N 0 3 264.413 2.905 10 10 CFCEHN Cc1cccc(CN2CCO[C@H]3CCCC[C@H]32)c1O ZINC000228174467 524404462 /nfs/dbraw/zinc/40/44/62/524404462.db2.gz RGGZQQILVNXGJS-CABCVRRESA-N 0 3 261.365 2.844 10 10 CFCEHN CN(CCOc1ccc(N)cc1)Cc1ccccc1 ZINC000019731846 346242062 /nfs/dbraw/zinc/24/20/62/346242062.db2.gz VQAWOAHMJCDEGE-UHFFFAOYSA-N 0 3 256.349 2.780 10 10 CFCEHN CN(C)c1ccc(CN2CCC(c3ccnn3C)CC2)cc1 ZINC000092810222 375158296 /nfs/dbraw/zinc/15/82/96/375158296.db2.gz JTAFQQVLAGRBJU-UHFFFAOYSA-N 0 3 298.434 2.866 10 10 CFCEHN Cc1cccc(CN[C@H]2COc3ccccc32)c1O ZINC000124808952 377089645 /nfs/dbraw/zinc/08/96/45/377089645.db2.gz JZAWOLCJWXTRCQ-AWEZNQCLSA-N 0 3 255.317 2.924 10 10 CFCEHN COc1ccc([O-])c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000179981827 380605931 /nfs/dbraw/zinc/60/59/31/380605931.db2.gz SOYFYOYFFXSCNL-UHFFFAOYSA-N 0 3 287.363 2.504 10 10 CFCEHN C[C@@H](N[C@H](C)c1ccc(O)cc1O)c1ccccn1 ZINC000020123397 171004165 /nfs/dbraw/zinc/00/41/65/171004165.db2.gz BNNNYGALCCNGCW-GHMZBOCLSA-N 0 3 258.321 2.905 10 10 CFCEHN CC(C)OCCC[NH2+][C@@H](C)c1ccc(O)cc1[O-] ZINC000020198052 171061818 /nfs/dbraw/zinc/06/18/18/171061818.db2.gz QWGOLYORUVAKJT-NSHDSACASA-N 0 3 253.342 2.564 10 10 CFCEHN CCN(c1ccc(CNCCOC)cc1F)C(C)C ZINC000062735146 521488596 /nfs/dbraw/zinc/48/85/96/521488596.db2.gz MHCCXMMTVZFODE-UHFFFAOYSA-N 0 3 268.376 2.796 10 10 CFCEHN CCN1CC[C@@H](C[NH2+]Cc2c([O-])ccc3ccccc32)C1 ZINC000037644062 521710366 /nfs/dbraw/zinc/71/03/66/521710366.db2.gz UAIPZORXMNLEDT-AWEZNQCLSA-N 0 3 284.403 2.977 10 10 CFCEHN CNCc1cc(F)c(N(C)Cc2ccoc2)c(F)c1 ZINC000062711991 522110966 /nfs/dbraw/zinc/11/09/66/522110966.db2.gz RGRUQNGLWZRLOG-UHFFFAOYSA-N 0 3 266.291 2.914 10 10 CFCEHN C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000094618358 525387735 /nfs/dbraw/zinc/38/77/35/525387735.db2.gz FDEQAEWHGDNXAK-MJVIPROJSA-N 0 3 267.344 2.733 10 10 CFCEHN COc1cccc(CN[C@H]2COc3ccccc32)c1O ZINC000070070136 526039820 /nfs/dbraw/zinc/03/98/20/526039820.db2.gz VFLQTOKOBNEURP-ZDUSSCGKSA-N 0 3 271.316 2.624 10 10 CFCEHN COc1cc(Br)cc([C@@H]([NH3+])C(C)C)c1[O-] ZINC000095673402 619165426 /nfs/dbraw/zinc/16/54/26/619165426.db2.gz LOAANITWUYVLQY-JTQLQIEISA-N 0 3 274.158 2.819 10 10 CFCEHN CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000040502520 649985095 /nfs/dbraw/zinc/98/50/95/649985095.db2.gz WSAZNLFKKRHREV-UONOGXRCSA-N 0 3 262.397 2.836 10 10 CFCEHN CCC[C@@H]([NH3+])c1c([O-])c(N)ccc1Br ZINC000306735807 348391688 /nfs/dbraw/zinc/39/16/88/348391688.db2.gz PQZKJURPUICGTB-SSDOTTSWSA-N 0 3 259.147 2.537 10 10 CFCEHN CN(C)c1ccc(CN2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131802981 377761215 /nfs/dbraw/zinc/76/12/15/377761215.db2.gz FAHNGTCRWBXVGR-KRWDZBQOSA-N 0 3 284.407 2.823 10 10 CFCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000246913501 383120056 /nfs/dbraw/zinc/12/00/56/383120056.db2.gz HXMYDZCWDGYCKC-GZBFAFLISA-N 0 3 263.381 2.902 10 10 CFCEHN CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1[O-] ZINC000248403513 393908251 /nfs/dbraw/zinc/90/82/51/393908251.db2.gz YMUXIZLXVNDCFA-CABCVRRESA-N 0 3 278.371 2.590 10 10 CFCEHN CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1[O-] ZINC000248403513 393908253 /nfs/dbraw/zinc/90/82/53/393908253.db2.gz YMUXIZLXVNDCFA-CABCVRRESA-N 0 3 278.371 2.590 10 10 CFCEHN C[C@H](N[C@@H](C)c1cc(O)ccc1O)c1cccnc1 ZINC000020127682 171012967 /nfs/dbraw/zinc/01/29/67/171012967.db2.gz GEBISASRXFQNQR-QWRGUYRKSA-N 0 3 258.321 2.905 10 10 CFCEHN CC(C)OCCC[NH2+][C@@H](C)c1cc(O)ccc1[O-] ZINC000020198112 171061842 /nfs/dbraw/zinc/06/18/42/171061842.db2.gz NSOWZAHLDAEHHB-NSHDSACASA-N 0 3 253.342 2.564 10 10 CFCEHN C[C@@H](c1ccc2ccccc2c1[O-])[NH+]1CCNCC1 ZINC000038086692 174097862 /nfs/dbraw/zinc/09/78/62/174097862.db2.gz SCNXNMKOKUEANE-LBPRGKRZSA-N 0 3 256.349 2.512 10 10 CFCEHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1[O-] ZINC000228675086 522540301 /nfs/dbraw/zinc/54/03/01/522540301.db2.gz MUNDOULEHBCCEJ-ZWNOBZJWSA-N 0 3 299.798 2.695 10 10 CFCEHN Cc1cccc(C[N@H+]2C[C@H]3CCCCN3C[C@@H]2C)c1[O-] ZINC000158034280 524411417 /nfs/dbraw/zinc/41/14/17/524411417.db2.gz NCFFDXXULYWNOM-GOEBONIOSA-N 0 3 274.408 2.759 10 10 CFCEHN Cc1cccc(C[N@@H+]2C[C@H]3CCCCN3C[C@@H]2C)c1[O-] ZINC000158034280 524411427 /nfs/dbraw/zinc/41/14/27/524411427.db2.gz NCFFDXXULYWNOM-GOEBONIOSA-N 0 3 274.408 2.759 10 10 CFCEHN Cc1ccc([O-])c(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000092810530 525340266 /nfs/dbraw/zinc/34/02/66/525340266.db2.gz TZECRXFDFRDMAU-UHFFFAOYSA-N 0 3 285.391 2.814 10 10 CFCEHN [O-]c1ccc2ccccc2c1C[NH2+]CC1(O)CCCC1 ZINC000096479236 526357320 /nfs/dbraw/zinc/35/73/20/526357320.db2.gz DOEBQZJNDBXGHO-UHFFFAOYSA-N 0 3 271.360 2.940 10 10 CFCEHN CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccccc1[O-] ZINC000040502297 618196063 /nfs/dbraw/zinc/19/60/63/618196063.db2.gz ZTGCISKXTILPDG-HIFRSBDPSA-N 0 3 262.397 2.917 10 10 CFCEHN COc1ccc(O)c(CN[C@H](C)c2cncc(F)c2)c1 ZINC000089725881 624327830 /nfs/dbraw/zinc/32/78/30/624327830.db2.gz BWECSRNBIYZPCJ-SNVBAGLBSA-N 0 3 276.311 2.786 10 10 CFCEHN C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000252840835 299365099 /nfs/dbraw/zinc/36/50/99/299365099.db2.gz AFZGIQVNHLAFEN-PSOPSSQASA-N 0 3 267.344 2.876 10 10 CFCEHN Cc1cnn([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC000179572757 380558617 /nfs/dbraw/zinc/55/86/17/380558617.db2.gz DPFKKHMTTBYMLV-OAHLLOKOSA-N 0 3 271.364 2.734 10 10 CFCEHN Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC000179572757 380558622 /nfs/dbraw/zinc/55/86/22/380558622.db2.gz DPFKKHMTTBYMLV-OAHLLOKOSA-N 0 3 271.364 2.734 10 10 CFCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000180373842 380649124 /nfs/dbraw/zinc/64/91/24/380649124.db2.gz OYXAZPFMKXYLSE-PBHICJAKSA-N 0 3 291.391 2.528 10 10 CFCEHN COc1ccc([O-])c(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000180373842 380649127 /nfs/dbraw/zinc/64/91/27/380649127.db2.gz OYXAZPFMKXYLSE-PBHICJAKSA-N 0 3 291.391 2.528 10 10 CFCEHN C[C@@H](N[C@@H](C)c1cc(O)ccc1O)c1ccncc1 ZINC000020121345 171000045 /nfs/dbraw/zinc/00/00/45/171000045.db2.gz RHNFWECFBZOVFT-MNOVXSKESA-N 0 3 258.321 2.905 10 10 CFCEHN COc1cccc(CN[C@H](C)c2ccncc2)c1O ZINC000020121245 171000221 /nfs/dbraw/zinc/00/02/21/171000221.db2.gz RTQHQBQSGMUWFP-LLVKDONJSA-N 0 3 258.321 2.647 10 10 CFCEHN C[C@@H](C[NH2+][C@@H](C)c1ccc(O)cc1[O-])CN1CCCCC1 ZINC000038041800 174042942 /nfs/dbraw/zinc/04/29/42/174042942.db2.gz VKYHHUHCIFZQAL-KBPBESRZSA-N 0 3 292.423 2.870 10 10 CFCEHN [O-]c1c(O)cccc1C[NH2+]CCc1ccc(F)cc1 ZINC000041116247 174484775 /nfs/dbraw/zinc/48/47/75/174484775.db2.gz VJIHEPZDLRCGTD-UHFFFAOYSA-N 0 3 261.296 2.569 10 10 CFCEHN C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(O)cc1[O-] ZINC000049154325 524761671 /nfs/dbraw/zinc/76/16/71/524761671.db2.gz RLCQFBOHAAUKES-SNVBAGLBSA-N 0 3 263.362 2.880 10 10 CFCEHN C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(O)cc1[O-] ZINC000049154322 524939756 /nfs/dbraw/zinc/93/97/56/524939756.db2.gz RLCQFBOHAAUKES-JTQLQIEISA-N 0 3 263.362 2.880 10 10 CFCEHN C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000245873140 525526511 /nfs/dbraw/zinc/52/65/11/525526511.db2.gz HBDNJSJOIQIDRO-PKFCDNJMSA-N 0 3 253.317 2.749 10 10 CFCEHN CCn1cc(C2CC[NH+](Cc3ccccc3[O-])CC2)cn1 ZINC000179567588 380559289 /nfs/dbraw/zinc/55/92/89/380559289.db2.gz IDXBPCDSRXSPFJ-UHFFFAOYSA-N 0 3 285.391 2.988 10 10 CFCEHN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(O)cc1O ZINC000020123398 171004308 /nfs/dbraw/zinc/00/43/08/171004308.db2.gz BNNNYGALCCNGCW-MNOVXSKESA-N 0 3 258.321 2.905 10 10 CFCEHN CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])N(C)C ZINC000020145615 171030710 /nfs/dbraw/zinc/03/07/10/171030710.db2.gz PYVUGHXVRVMIMP-TZMCWYRMSA-N 0 3 250.386 2.629 10 10 CFCEHN COc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c([O-])c1 ZINC000038028715 174017759 /nfs/dbraw/zinc/01/77/59/174017759.db2.gz RAHJZNHRAOIVME-ZIAGYGMSSA-N 0 3 292.423 2.926 10 10 CFCEHN CN(C)c1ccc(CN2CCc3c(N)cccc3C2)cc1 ZINC000038032564 174029194 /nfs/dbraw/zinc/02/91/94/174029194.db2.gz BURNLEQAPKUOJR-UHFFFAOYSA-N 0 3 281.403 2.893 10 10 CFCEHN CCn1cccc1CNCc1ccc(N(C)C)cc1 ZINC000091023032 523500781 /nfs/dbraw/zinc/50/07/81/523500781.db2.gz BNZKVYDXGYIMIG-UHFFFAOYSA-N 0 3 257.381 2.864 10 10 CFCEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1[O-] ZINC000246207851 523805178 /nfs/dbraw/zinc/80/51/78/523805178.db2.gz NIIPJYOZHMBWKD-YUELXQCFSA-N 0 3 289.375 2.698 10 10 CFCEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1[O-] ZINC000246207851 523805181 /nfs/dbraw/zinc/80/51/81/523805181.db2.gz NIIPJYOZHMBWKD-YUELXQCFSA-N 0 3 289.375 2.698 10 10 CFCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000273609593 525364553 /nfs/dbraw/zinc/36/45/53/525364553.db2.gz VHSWNXUTZUURAY-FZMZJTMJSA-N 0 3 251.370 2.758 10 10 CFCEHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H]1CCCO1 ZINC000094617011 525604634 /nfs/dbraw/zinc/60/46/34/525604634.db2.gz HBDNJSJOIQIDRO-RBZYPMLTSA-N 0 3 253.317 2.749 10 10 CFCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c([O-])c1 ZINC000273359545 525922284 /nfs/dbraw/zinc/92/22/84/525922284.db2.gz AFALEOOXLVRLJU-SMDDNHRTSA-N 0 3 251.370 2.758 10 10 CFCEHN CN(C)c1ccc(CN2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131803191 377762063 /nfs/dbraw/zinc/76/20/63/377762063.db2.gz FAHNGTCRWBXVGR-QGZVFWFLSA-N 0 3 284.407 2.823 10 10 CFCEHN C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccccc1[O-] ZINC000183606438 381292939 /nfs/dbraw/zinc/29/29/39/381292939.db2.gz VZSNHXTXAJVFBY-ZIAGYGMSSA-N 0 3 298.390 2.502 10 10 CFCEHN CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000184055353 381363683 /nfs/dbraw/zinc/36/36/83/381363683.db2.gz YMUXIZLXVNDCFA-HUUCEWRRSA-N 0 3 278.371 2.590 10 10 CFCEHN CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000184055353 381363687 /nfs/dbraw/zinc/36/36/87/381363687.db2.gz YMUXIZLXVNDCFA-HUUCEWRRSA-N 0 3 278.371 2.590 10 10 CFCEHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCC[C@H]1CO)CC2 ZINC000297685662 381569545 /nfs/dbraw/zinc/56/95/45/381569545.db2.gz LSAHDHHLWYKCIP-MELADBBJSA-N 0 3 261.365 2.520 10 10 CFCEHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)c([O-])c1 ZINC000247053126 383136656 /nfs/dbraw/zinc/13/66/56/383136656.db2.gz QXQUJISCGIZCNG-GZBFAFLISA-N 0 3 263.381 2.902 10 10 CFCEHN COc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000281311017 385189600 /nfs/dbraw/zinc/18/96/00/385189600.db2.gz QJWUVDCBTYPRLA-CLLJXQQHSA-N 0 3 279.380 2.694 10 10 CFCEHN COc1cccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000282247632 385259515 /nfs/dbraw/zinc/25/95/15/385259515.db2.gz OKKZQFLJEQOLAJ-CLLJXQQHSA-N 0 3 279.380 2.694 10 10 CFCEHN C[C@H](N[C@@H](C)c1cc(O)ccc1O)c1ccncc1 ZINC000020121346 171000025 /nfs/dbraw/zinc/00/00/25/171000025.db2.gz RHNFWECFBZOVFT-QWRGUYRKSA-N 0 3 258.321 2.905 10 10 CFCEHN C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1[O-])c1ccncc1 ZINC000020121262 171000718 /nfs/dbraw/zinc/00/07/18/171000718.db2.gz LPIFARRHWKWHEE-MNOVXSKESA-N 0 3 258.321 2.905 10 10 CFCEHN COc1ccc([C@@H](C)[NH2+]Cc2ccncc2)c([O-])c1 ZINC000020140524 171026869 /nfs/dbraw/zinc/02/68/69/171026869.db2.gz TXOCPSQHZASXQE-LLVKDONJSA-N 0 3 258.321 2.647 10 10 CFCEHN CN1CC[C@H](C[N@H+](C)Cc2c([O-])ccc3ccccc32)C1 ZINC000156018250 523157135 /nfs/dbraw/zinc/15/71/35/523157135.db2.gz RVEATGFBFFIHGV-AWEZNQCLSA-N 0 3 284.403 2.929 10 10 CFCEHN CN1CC[C@H](C[N@@H+](C)Cc2c([O-])ccc3ccccc32)C1 ZINC000156018250 523157142 /nfs/dbraw/zinc/15/71/42/523157142.db2.gz RVEATGFBFFIHGV-AWEZNQCLSA-N 0 3 284.403 2.929 10 10 CFCEHN COCCNCc1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000062734635 523951948 /nfs/dbraw/zinc/95/19/48/523951948.db2.gz XPVYVPFYLACMBR-HUUCEWRRSA-N 0 3 276.424 2.905 10 10 CFCEHN N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1c1ccccc1[O-] ZINC000096946961 185136944 /nfs/dbraw/zinc/13/69/44/185136944.db2.gz ANQQFDMYNZTMTO-RDJZCZTQSA-N 0 3 268.360 2.667 10 10 CFCEHN N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1[O-] ZINC000096946961 185136945 /nfs/dbraw/zinc/13/69/45/185136945.db2.gz ANQQFDMYNZTMTO-RDJZCZTQSA-N 0 3 268.360 2.667 10 10 CFCEHN COc1ccc(CN(C)CCOc2ccc(N)cc2)cc1 ZINC000038439350 346338778 /nfs/dbraw/zinc/33/87/78/346338778.db2.gz KGVSZGUBQUXNSY-UHFFFAOYSA-N 0 3 286.375 2.788 10 10 CFCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)CC ZINC000161328337 283297028 /nfs/dbraw/zinc/29/70/28/283297028.db2.gz GGFJSITWAUHEGH-HNNXBMFYSA-N 0 3 251.370 2.765 10 10 CFCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)CC ZINC000161328337 283297031 /nfs/dbraw/zinc/29/70/31/283297031.db2.gz GGFJSITWAUHEGH-HNNXBMFYSA-N 0 3 251.370 2.765 10 10 CFCEHN CN(C)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000112590111 375933269 /nfs/dbraw/zinc/93/32/69/375933269.db2.gz YAELEGXUDQSAGB-AWEZNQCLSA-N 0 3 270.376 2.681 10 10 CFCEHN CN(C)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000112590111 375933273 /nfs/dbraw/zinc/93/32/73/375933273.db2.gz YAELEGXUDQSAGB-AWEZNQCLSA-N 0 3 270.376 2.681 10 10 CFCEHN Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180239607 380638901 /nfs/dbraw/zinc/63/89/01/380638901.db2.gz HLXNYAQOYATUMJ-HNNXBMFYSA-N 0 3 289.354 2.701 10 10 CFCEHN Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180239607 380638904 /nfs/dbraw/zinc/63/89/04/380638904.db2.gz HLXNYAQOYATUMJ-HNNXBMFYSA-N 0 3 289.354 2.701 10 10 CFCEHN CCCC(=O)N[C@H]1CCCN(Cc2cccc(C)c2O)C1 ZINC000179932163 380600159 /nfs/dbraw/zinc/60/01/59/380600159.db2.gz SXGMMRNABXHABJ-HNNXBMFYSA-N 0 3 290.407 2.581 10 10 CFCEHN CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179932163 380600162 /nfs/dbraw/zinc/60/01/62/380600162.db2.gz SXGMMRNABXHABJ-HNNXBMFYSA-N 0 3 290.407 2.581 10 10 CFCEHN CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179932163 380600170 /nfs/dbraw/zinc/60/01/70/380600170.db2.gz SXGMMRNABXHABJ-HNNXBMFYSA-N 0 3 290.407 2.581 10 10 CFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000185507011 381652937 /nfs/dbraw/zinc/65/29/37/381652937.db2.gz NQKKTWBYPNNDPD-GUTXKFCHSA-N 0 3 263.381 2.902 10 10 CFCEHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000282290899 385273282 /nfs/dbraw/zinc/27/32/82/385273282.db2.gz RCYRSJHWSJCWKW-BTTYYORXSA-N 0 3 263.381 2.994 10 10 CFCEHN CC(C)[NH2+][C@@H](c1ccccc1)c1ccc(O)c(O)c1[O-] ZINC000019880880 170908135 /nfs/dbraw/zinc/90/81/35/170908135.db2.gz GBJPHMILHJJSHR-AWEZNQCLSA-N 0 3 273.332 2.891 10 10 CFCEHN C=COCCC[NH2+][C@@H](C)c1ccc(OC)cc1[O-] ZINC000020197809 171061887 /nfs/dbraw/zinc/06/18/87/171061887.db2.gz KFZNFEBEVFDDDH-NSHDSACASA-N 0 3 251.326 2.602 10 10 CFCEHN C[C@H](c1ccc(O)cc1[O-])[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032502 174028595 /nfs/dbraw/zinc/02/85/95/174028595.db2.gz VYJJHSGBDUSRTG-LLVKDONJSA-N 0 3 284.359 2.799 10 10 CFCEHN C[C@H](c1ccc(O)cc1[O-])[N@H+]1CCc2c(N)cccc2C1 ZINC000038032502 174028598 /nfs/dbraw/zinc/02/85/98/174028598.db2.gz VYJJHSGBDUSRTG-LLVKDONJSA-N 0 3 284.359 2.799 10 10 CFCEHN COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)c([O-])c1 ZINC000038095963 174110396 /nfs/dbraw/zinc/11/03/96/174110396.db2.gz QMBGUXLQQWNHKC-VXGBXAGGSA-N 0 3 265.353 2.621 10 10 CFCEHN CCN1CCC/C1=C/C=C1/SC(=S)N(CC)C1=O ZINC000100114619 276152355 /nfs/dbraw/zinc/15/23/55/276152355.db2.gz KKACEFKPAJPBRW-BDLVGCLISA-N 0 3 282.434 2.750 10 10 CFCEHN CC(C)[NH+](CCNCc1cccc(F)c1[O-])C(C)C ZINC000158662342 519647924 /nfs/dbraw/zinc/64/79/24/519647924.db2.gz GBAKGPJKCAOWCS-UHFFFAOYSA-N 0 3 268.376 2.740 10 10 CFCEHN COCCNCc1ccc(N2CCC(C)CC2)cc1 ZINC000062734055 523951974 /nfs/dbraw/zinc/95/19/74/523951974.db2.gz SQIVPDCNXCBSMS-UHFFFAOYSA-N 0 3 262.397 2.659 10 10 CFCEHN Cc1ccc(O)c(CN[C@H]2COc3ccccc32)c1 ZINC000070379943 525354278 /nfs/dbraw/zinc/35/42/78/525354278.db2.gz UXIRGQYJBBGLSK-AWEZNQCLSA-N 0 3 255.317 2.924 10 10 CFCEHN Oc1cccc(CNCc2ccc(F)c(F)c2)c1O ZINC000049577574 526359544 /nfs/dbraw/zinc/35/95/44/526359544.db2.gz CUCLJFMBLSWHOE-UHFFFAOYSA-N 0 3 265.259 2.666 10 10 CFCEHN Nc1ccc(N2CCCN=C2c2ccccc2)cc1 ZINC000011847812 371931575 /nfs/dbraw/zinc/93/15/75/371931575.db2.gz LEMRNIMTARCXHQ-UHFFFAOYSA-N 0 3 251.333 2.926 10 10 CFCEHN C[C@@H](NCCO)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020569991 372239485 /nfs/dbraw/zinc/23/94/85/372239485.db2.gz WIARLQSLBTVGFI-CHWSQXEVSA-N 0 3 280.387 2.705 10 10 CFCEHN C[C@@H](NCCO)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572057 372240387 /nfs/dbraw/zinc/24/03/87/372240387.db2.gz JPNTZEBEGONSIR-CYBMUJFWSA-N 0 3 280.387 2.705 10 10 CFCEHN CCCC(=O)N[C@@H]1CCCN(Cc2cc(C)ccc2O)C1 ZINC000092708586 375142446 /nfs/dbraw/zinc/14/24/46/375142446.db2.gz FPMWMKJBUQHRMX-OAHLLOKOSA-N 0 3 290.407 2.581 10 10 CFCEHN CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092708586 375142450 /nfs/dbraw/zinc/14/24/50/375142450.db2.gz FPMWMKJBUQHRMX-OAHLLOKOSA-N 0 3 290.407 2.581 10 10 CFCEHN CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092708586 375142458 /nfs/dbraw/zinc/14/24/58/375142458.db2.gz FPMWMKJBUQHRMX-OAHLLOKOSA-N 0 3 290.407 2.581 10 10 CFCEHN Cc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1[O-] ZINC000179981277 380605154 /nfs/dbraw/zinc/60/51/54/380605154.db2.gz DAAVDLBMKDGDNR-UHFFFAOYSA-N 0 3 285.391 2.814 10 10 CFCEHN Cc1cccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1[O-] ZINC000180052548 380615713 /nfs/dbraw/zinc/61/57/13/380615713.db2.gz HHBJEFBWRLHLHV-HNNXBMFYSA-N 0 3 271.364 2.771 10 10 CFCEHN Cc1cccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1[O-] ZINC000180052548 380615721 /nfs/dbraw/zinc/61/57/21/380615721.db2.gz HHBJEFBWRLHLHV-HNNXBMFYSA-N 0 3 271.364 2.771 10 10 CFCEHN Cc1cccc(CN2CCC[C@H]2c2cnn(C)c2)c1O ZINC000180052548 380615728 /nfs/dbraw/zinc/61/57/28/380615728.db2.gz HHBJEFBWRLHLHV-HNNXBMFYSA-N 0 3 271.364 2.771 10 10 CFCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000180373817 380649608 /nfs/dbraw/zinc/64/96/08/380649608.db2.gz OYXAZPFMKXYLSE-RHSMWYFYSA-N 0 3 291.391 2.528 10 10 CFCEHN COc1ccc([O-])c(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000180373817 380649612 /nfs/dbraw/zinc/64/96/12/380649612.db2.gz OYXAZPFMKXYLSE-RHSMWYFYSA-N 0 3 291.391 2.528 10 10 CFCEHN CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000184055373 381364397 /nfs/dbraw/zinc/36/43/97/381364397.db2.gz YMUXIZLXVNDCFA-LSDHHAIUSA-N 0 3 278.371 2.590 10 10 CFCEHN CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000184055373 381364403 /nfs/dbraw/zinc/36/44/03/381364403.db2.gz YMUXIZLXVNDCFA-LSDHHAIUSA-N 0 3 278.371 2.590 10 10 CFCEHN CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccccc1[O-] ZINC000185212021 381566667 /nfs/dbraw/zinc/56/66/67/381566667.db2.gz XEWVSSUIGVOUCT-SNPRPXQTSA-N 0 3 263.381 2.984 10 10 CFCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)c([O-])c1 ZINC000185507573 381652963 /nfs/dbraw/zinc/65/29/63/381652963.db2.gz IXDPHZYUZYBRQI-GZBFAFLISA-N 0 3 263.381 2.902 10 10 CFCEHN C[C@H](NCCO)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000253495335 383461961 /nfs/dbraw/zinc/46/19/61/383461961.db2.gz WIARLQSLBTVGFI-OLZOCXBDSA-N 0 3 280.387 2.705 10 10 CFCEHN CCCC(=O)Nc1ccc([O-])c([C@H](C)[NH2+]C2CC2)c1 ZINC000021957161 171342048 /nfs/dbraw/zinc/34/20/48/171342048.db2.gz NPCBEOQNIOMEEK-JTQLQIEISA-N 0 3 262.353 2.944 10 10 CFCEHN C[C@@H](C[NH2+][C@@H](C)c1ccc(O)cc1[O-])N1CCCCC1 ZINC000038028556 174017196 /nfs/dbraw/zinc/01/71/96/174017196.db2.gz DTKLTVSWRDSXKD-STQMWFEESA-N 0 3 278.396 2.623 10 10 CFCEHN C[C@@H]([NH2+]C[C@H](C)CN1CCCCC1)c1ccc(O)cc1[O-] ZINC000038041802 174043569 /nfs/dbraw/zinc/04/35/69/174043569.db2.gz VKYHHUHCIFZQAL-UONOGXRCSA-N 0 3 292.423 2.870 10 10 CFCEHN CCN(C)CC[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000054109913 520236842 /nfs/dbraw/zinc/23/68/42/520236842.db2.gz YVUFWCLTJNMTFD-UHFFFAOYSA-N 0 3 258.365 2.587 10 10 CFCEHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000228675044 522541830 /nfs/dbraw/zinc/54/18/30/522541830.db2.gz MUNDOULEHBCCEJ-GWCFXTLKSA-N 0 3 299.798 2.695 10 10 CFCEHN Cn1nccc1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180039541 527599079 /nfs/dbraw/zinc/59/90/79/527599079.db2.gz PFFJBEVNTZFVAG-UHFFFAOYSA-N 0 3 289.354 2.644 10 10 CFCEHN COCCc1ccc([O-])c([C@H]([NH3+])c2ccccc2)c1 ZINC000757147870 617825072 /nfs/dbraw/zinc/82/50/72/617825072.db2.gz ZVMXWHGTJIILPO-MRXNPFEDSA-N 0 3 257.333 2.629 10 10 CFCEHN N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1c1ccccc1[O-] ZINC000096946962 185136993 /nfs/dbraw/zinc/13/69/93/185136993.db2.gz ANQQFDMYNZTMTO-WBVHZDCISA-N 0 3 268.360 2.667 10 10 CFCEHN N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1[O-] ZINC000096946962 185136994 /nfs/dbraw/zinc/13/69/94/185136994.db2.gz ANQQFDMYNZTMTO-WBVHZDCISA-N 0 3 268.360 2.667 10 10 CFCEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1[O-] ZINC000179202230 380520184 /nfs/dbraw/zinc/52/01/84/380520184.db2.gz NIIPJYOZHMBWKD-QEJZJMRPSA-N 0 3 289.375 2.698 10 10 CFCEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1[O-] ZINC000179202230 380520189 /nfs/dbraw/zinc/52/01/89/380520189.db2.gz NIIPJYOZHMBWKD-QEJZJMRPSA-N 0 3 289.375 2.698 10 10 CFCEHN CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179572683 380558826 /nfs/dbraw/zinc/55/88/26/380558826.db2.gz AVHKPOWXKHNVFQ-OAHLLOKOSA-N 0 3 285.391 2.988 10 10 CFCEHN CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179572683 380558831 /nfs/dbraw/zinc/55/88/31/380558831.db2.gz AVHKPOWXKHNVFQ-OAHLLOKOSA-N 0 3 285.391 2.988 10 10 CFCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000180184946 380630481 /nfs/dbraw/zinc/63/04/81/380630481.db2.gz FSPCDAKWMVGWDJ-CZUORRHYSA-N 0 3 279.355 2.658 10 10 CFCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000180184946 380630486 /nfs/dbraw/zinc/63/04/86/380630486.db2.gz FSPCDAKWMVGWDJ-CZUORRHYSA-N 0 3 279.355 2.658 10 10 CFCEHN CCCC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2O)C1 ZINC000179932146 380600376 /nfs/dbraw/zinc/60/03/76/380600376.db2.gz SXGMMRNABXHABJ-OAHLLOKOSA-N 0 3 290.407 2.581 10 10 CFCEHN CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179932146 380600382 /nfs/dbraw/zinc/60/03/82/380600382.db2.gz SXGMMRNABXHABJ-OAHLLOKOSA-N 0 3 290.407 2.581 10 10 CFCEHN CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179932146 380600391 /nfs/dbraw/zinc/60/03/91/380600391.db2.gz SXGMMRNABXHABJ-OAHLLOKOSA-N 0 3 290.407 2.581 10 10 CFCEHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000180116051 380622627 /nfs/dbraw/zinc/62/26/27/380622627.db2.gz HUPPEJJVINLONE-UHFFFAOYSA-N 0 3 289.354 2.640 10 10 CFCEHN Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000180614518 380683426 /nfs/dbraw/zinc/68/34/26/380683426.db2.gz RQWOYMFMWYRLBT-MRXNPFEDSA-N 0 3 285.391 2.870 10 10 CFCEHN Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000180614518 380683431 /nfs/dbraw/zinc/68/34/31/380683431.db2.gz RQWOYMFMWYRLBT-MRXNPFEDSA-N 0 3 285.391 2.870 10 10 CFCEHN C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccccc1[O-] ZINC000183606420 381293625 /nfs/dbraw/zinc/29/36/25/381293625.db2.gz VZSNHXTXAJVFBY-UONOGXRCSA-N 0 3 298.390 2.502 10 10 CFCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000185506975 381653613 /nfs/dbraw/zinc/65/36/13/381653613.db2.gz NQKKTWBYPNNDPD-GZBFAFLISA-N 0 3 263.381 2.902 10 10 CFCEHN COc1cccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000282247645 385259187 /nfs/dbraw/zinc/25/91/87/385259187.db2.gz OKKZQFLJEQOLAJ-RYUDHWBXSA-N 0 3 279.380 2.694 10 10 CFCEHN CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N(C)C ZINC000020145616 171030868 /nfs/dbraw/zinc/03/08/68/171030868.db2.gz PYVUGHXVRVMIMP-OCCSQVGLSA-N 0 3 250.386 2.629 10 10 CFCEHN C=COCCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000020197390 171061286 /nfs/dbraw/zinc/06/12/86/171061286.db2.gz BAGDDQMRZAFMRA-LLVKDONJSA-N 0 3 251.326 2.602 10 10 CFCEHN CN1CC[C@@H](C[N@H+](C)Cc2c([O-])ccc3ccccc32)C1 ZINC000156018370 523157580 /nfs/dbraw/zinc/15/75/80/523157580.db2.gz RVEATGFBFFIHGV-CQSZACIVSA-N 0 3 284.403 2.929 10 10 CFCEHN CN1CC[C@@H](C[N@@H+](C)Cc2c([O-])ccc3ccccc32)C1 ZINC000156018370 523157588 /nfs/dbraw/zinc/15/75/88/523157588.db2.gz RVEATGFBFFIHGV-CQSZACIVSA-N 0 3 284.403 2.929 10 10 CFCEHN Cc1cccc(CC[NH2+]Cc2ccc(O)cc2[O-])c1 ZINC000051668890 524363818 /nfs/dbraw/zinc/36/38/18/524363818.db2.gz FRLPLLISUWHJSQ-UHFFFAOYSA-N 0 3 257.333 2.739 10 10 CFCEHN CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000040502519 649984875 /nfs/dbraw/zinc/98/48/75/649984875.db2.gz WSAZNLFKKRHREV-KBPBESRZSA-N 0 3 262.397 2.836 10 10 CFCEHN CCCC(=O)N[C@H]1CCCN(Cc2cc(C)ccc2O)C1 ZINC000092708587 375142259 /nfs/dbraw/zinc/14/22/59/375142259.db2.gz FPMWMKJBUQHRMX-HNNXBMFYSA-N 0 3 290.407 2.581 10 10 CFCEHN CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092708587 375142266 /nfs/dbraw/zinc/14/22/66/375142266.db2.gz FPMWMKJBUQHRMX-HNNXBMFYSA-N 0 3 290.407 2.581 10 10 CFCEHN CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092708587 375142274 /nfs/dbraw/zinc/14/22/74/375142274.db2.gz FPMWMKJBUQHRMX-HNNXBMFYSA-N 0 3 290.407 2.581 10 10 CFCEHN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000179575676 380561223 /nfs/dbraw/zinc/56/12/23/380561223.db2.gz YHVZJYKAWYSTLS-CQSZACIVSA-N 0 3 257.337 2.843 10 10 CFCEHN [O-]c1ccccc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000179575676 380561229 /nfs/dbraw/zinc/56/12/29/380561229.db2.gz YHVZJYKAWYSTLS-CQSZACIVSA-N 0 3 257.337 2.843 10 10 CFCEHN Cn1cc([C@@H]2CCCN2Cc2cc(F)ccc2O)cn1 ZINC000180074356 380618580 /nfs/dbraw/zinc/61/85/80/380618580.db2.gz GUFNXHZIRFNNMO-AWEZNQCLSA-N 0 3 275.327 2.602 10 10 CFCEHN COc1cc(Br)cc([C@@H]([NH3+])CCF)c1[O-] ZINC000575437854 382771182 /nfs/dbraw/zinc/77/11/82/382771182.db2.gz BLABDRDRHQVLAM-QMMMGPOBSA-N 0 3 278.121 2.523 10 10 CFCEHN CN1Cc2ccccc2N[C@@H](c2ccc(O)c(O)c2)C1 ZINC000199561033 382772057 /nfs/dbraw/zinc/77/20/57/382772057.db2.gz MCVVDPDRJKBMRV-CQSZACIVSA-N 0 3 270.332 2.696 10 10 CFCEHN Cc1ccccc1CN1CCN(c2ccc(N)cc2)CC1 ZINC000008030950 393467382 /nfs/dbraw/zinc/46/73/82/393467382.db2.gz VXWZZULIAGMJJJ-UHFFFAOYSA-N 0 3 281.403 2.899 10 10 CFCEHN C[C@@H](N[C@@H](C)c1ccncc1)c1cc(O)ccc1O ZINC000020121348 171000105 /nfs/dbraw/zinc/00/01/05/171000105.db2.gz RHNFWECFBZOVFT-WDEREUQCSA-N 0 3 258.321 2.905 10 10 CFCEHN [O-]c1cc(O)ccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000020122481 171002605 /nfs/dbraw/zinc/00/26/05/171002605.db2.gz DSXDMOUKXDXIGO-UHFFFAOYSA-N 0 3 282.343 2.911 10 10 CFCEHN C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(O)cc1[O-] ZINC000020127620 171012877 /nfs/dbraw/zinc/01/28/77/171012877.db2.gz YCSPHRVHNLKWGI-WDEREUQCSA-N 0 3 258.321 2.905 10 10 CFCEHN Oc1ccc(CN[C@@H]2CCc3ccccc32)cc1O ZINC000020129690 171018135 /nfs/dbraw/zinc/01/81/35/171018135.db2.gz YFIAXGZCGFPWTM-CQSZACIVSA-N 0 3 255.317 2.875 10 10 CFCEHN C=COCCC[NH2+][C@H](C)c1ccc(OC)cc1[O-] ZINC000020197807 171061988 /nfs/dbraw/zinc/06/19/88/171061988.db2.gz KFZNFEBEVFDDDH-LLVKDONJSA-N 0 3 251.326 2.602 10 10 CFCEHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCCC[C@H]1CO)CC2 ZINC000297685668 280411460 /nfs/dbraw/zinc/41/14/60/280411460.db2.gz LSAHDHHLWYKCIP-MJBXVCDLSA-N 0 3 261.365 2.520 10 10 CFCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC(C)(C)C ZINC000076074447 521690205 /nfs/dbraw/zinc/69/02/05/521690205.db2.gz ZADNXARCZSYAMR-OAHLLOKOSA-N 0 3 295.423 2.780 10 10 CFCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC(C)(C)C ZINC000076074447 521690206 /nfs/dbraw/zinc/69/02/06/521690206.db2.gz ZADNXARCZSYAMR-OAHLLOKOSA-N 0 3 295.423 2.780 10 10 CFCEHN CN(C)CC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000211512379 521748175 /nfs/dbraw/zinc/74/81/75/521748175.db2.gz QKXDLOWAKTYXOO-UHFFFAOYSA-N 0 3 258.365 2.539 10 10 CFCEHN CN(C)CC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000211512379 521748177 /nfs/dbraw/zinc/74/81/77/521748177.db2.gz QKXDLOWAKTYXOO-UHFFFAOYSA-N 0 3 258.365 2.539 10 10 CFCEHN COc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000245687398 525952380 /nfs/dbraw/zinc/95/23/80/525952380.db2.gz AWOVAXRUPXRDRI-YOEHRIQHSA-N 0 3 291.391 2.528 10 10 CFCEHN COc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000245687398 525952372 /nfs/dbraw/zinc/95/23/72/525952372.db2.gz AWOVAXRUPXRDRI-YOEHRIQHSA-N 0 3 291.391 2.528 10 10 CFCEHN CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1ccccc1[O-] ZINC000040502300 618195997 /nfs/dbraw/zinc/19/59/97/618195997.db2.gz ZTGCISKXTILPDG-DZGCQCFKSA-N 0 3 262.397 2.917 10 10 CFCEHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000042880462 621544630 /nfs/dbraw/zinc/54/46/30/621544630.db2.gz PLYIOFUGKAOGLA-LLVKDONJSA-N 0 3 251.326 2.645 10 10 CFCEHN Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)no1 ZINC000179570398 380558654 /nfs/dbraw/zinc/55/86/54/380558654.db2.gz GJZNRHOKMVGHNM-ZDUSSCGKSA-N 0 3 287.363 2.538 10 10 CFCEHN Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)no1 ZINC000179570398 380558662 /nfs/dbraw/zinc/55/86/62/380558662.db2.gz GJZNRHOKMVGHNM-ZDUSSCGKSA-N 0 3 287.363 2.538 10 10 CFCEHN CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1[O-] ZINC000248403515 383236322 /nfs/dbraw/zinc/23/63/22/383236322.db2.gz YMUXIZLXVNDCFA-GJZGRUSLSA-N 0 3 278.371 2.590 10 10 CFCEHN CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1[O-] ZINC000248403515 383236324 /nfs/dbraw/zinc/23/63/24/383236324.db2.gz YMUXIZLXVNDCFA-GJZGRUSLSA-N 0 3 278.371 2.590 10 10 CFCEHN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000281337900 385189489 /nfs/dbraw/zinc/18/94/89/385189489.db2.gz SKHCVSPZOALXLS-ZSBIGDGJSA-N 0 3 267.344 2.825 10 10 CFCEHN C[C@@H](N[C@@H](C)c1cc(O)ccc1O)c1cccnc1 ZINC000020127681 171013313 /nfs/dbraw/zinc/01/33/13/171013313.db2.gz GEBISASRXFQNQR-MNOVXSKESA-N 0 3 258.321 2.905 10 10 CFCEHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000020129710 171018013 /nfs/dbraw/zinc/01/80/13/171018013.db2.gz BBHORAKBMYCNDR-OAHLLOKOSA-N 0 3 255.317 2.875 10 10 CFCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000273609594 525358921 /nfs/dbraw/zinc/35/89/21/525358921.db2.gz VHSWNXUTZUURAY-RISCZKNCSA-N 0 3 251.370 2.758 10 10 CFCEHN C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000273621318 525405689 /nfs/dbraw/zinc/40/56/89/525405689.db2.gz ZBKCQIAXRXFZGC-ZANVPECISA-N 0 3 255.333 2.589 10 10 CFCEHN COCCc1ccc([O-])c([C@@H]([NH3+])c2ccccc2)c1 ZINC000757147864 617825010 /nfs/dbraw/zinc/82/50/10/617825010.db2.gz ZVMXWHGTJIILPO-INIZCTEOSA-N 0 3 257.333 2.629 10 10 CFCEHN Fc1cc(N2CCNCC2)ccc1OCc1ccccc1 ZINC000059569854 346657289 /nfs/dbraw/zinc/65/72/89/346657289.db2.gz LATGJLANZVOFHA-UHFFFAOYSA-N 0 3 286.350 2.814 10 10 CFCEHN N#[N+]C=C([O-])c1ccnc2c3ccc(Cl)cc3ncc12 ZINC000584603536 348686522 /nfs/dbraw/zinc/68/65/22/348686522.db2.gz AOEXNFLUKUIMLZ-UHFFFAOYSA-N 0 3 282.690 2.920 10 10 CFCEHN C[C@@H](NCCO)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000020569993 372240157 /nfs/dbraw/zinc/24/01/57/372240157.db2.gz WIARLQSLBTVGFI-QWHCGFSZSA-N 0 3 280.387 2.705 10 10 CFCEHN CCOc1ccc(O)c(CN2CCS[C@@H](C)C2)c1 ZINC000131409025 377707148 /nfs/dbraw/zinc/70/71/48/377707148.db2.gz FVBLGXMRDGOUDS-NSHDSACASA-N 0 3 267.394 2.728 10 10 CFCEHN COc1cc(Br)cc([C@@H]([NH3+])CC(F)F)c1[O-] ZINC000575437630 382770960 /nfs/dbraw/zinc/77/09/60/382770960.db2.gz KUFYAIKLRBGCAC-ZETCQYMHSA-N 0 3 296.111 2.818 10 10 CFCEHN C[C@H](C[NH2+]Cc1ccc(O)cc1[O-])c1ccccc1 ZINC000020137078 171024663 /nfs/dbraw/zinc/02/46/63/171024663.db2.gz LLBKOWZBKMAVBZ-GFCCVEGCSA-N 0 3 257.333 2.991 10 10 CFCEHN C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1cc(O)ccc1[O-] ZINC000038028428 174017537 /nfs/dbraw/zinc/01/75/37/174017537.db2.gz WKXOJOVXMBIBJZ-QWHCGFSZSA-N 0 3 278.396 2.623 10 10 CFCEHN C[C@H](C[NH2+][C@H](C)c1cc(O)ccc1[O-])N1CCCCC1 ZINC000038028429 174017644 /nfs/dbraw/zinc/01/76/44/174017644.db2.gz WKXOJOVXMBIBJZ-CHWSQXEVSA-N 0 3 278.396 2.623 10 10 CFCEHN CC[C@H](c1cc(Br)ccc1[O-])N1CC[NH2+]CC1 ZINC000038086710 174097845 /nfs/dbraw/zinc/09/78/45/174097845.db2.gz KQXJXSAUHMVUGU-GFCCVEGCSA-N 0 3 299.212 2.511 10 10 CFCEHN Cc1cnn(CC[NH2+][C@@H](C)c2cc(C)ccc2[O-])c1 ZINC000185842744 262309880 /nfs/dbraw/zinc/30/98/80/262309880.db2.gz CZBOCCCUYAFPKF-ZDUSSCGKSA-N 0 3 259.353 2.556 10 10 CFCEHN CC[C@H](C)N(C)c1ccc(CNCCOC)cc1 ZINC000062735404 523924319 /nfs/dbraw/zinc/92/43/19/523924319.db2.gz TTYOHCQWDFNJQP-ZDUSSCGKSA-N 0 3 250.386 2.657 10 10 CFCEHN Cc1cccc(CN2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000228174452 524403046 /nfs/dbraw/zinc/40/30/46/524403046.db2.gz RGGZQQILVNXGJS-HUUCEWRRSA-N 0 3 261.365 2.844 10 10 CFCEHN Cc1cc(Br)cc([C@@H]([NH3+])C2CC2)c1[O-] ZINC000095706892 650975695 /nfs/dbraw/zinc/97/56/95/650975695.db2.gz FWBQXONZZJWACK-JTQLQIEISA-N 0 3 256.143 2.873 10 10 CFCEHN CC(=O)Nc1ccc([O-])c(C[NH2+]C2CCCCC2)c1 ZINC000584591254 348682216 /nfs/dbraw/zinc/68/22/16/348682216.db2.gz ZWFVMJXMEAGRFT-UHFFFAOYSA-N 0 3 262.353 2.773 10 10 CFCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)CC2 ZINC000297631832 200247548 /nfs/dbraw/zinc/24/75/48/200247548.db2.gz JIQFVWWKOOVWBM-MGPQQGTHSA-N 0 3 261.365 2.520 10 10 CFCEHN C[C@H](NCCO)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572058 372240373 /nfs/dbraw/zinc/24/03/73/372240373.db2.gz JPNTZEBEGONSIR-ZDUSSCGKSA-N 0 3 280.387 2.705 10 10 CFCEHN COc1cccc(CN2CCCC[C@H]2c2cn[nH]c2)c1O ZINC000093438319 375235481 /nfs/dbraw/zinc/23/54/81/375235481.db2.gz WWPRPQXYTUATMO-AWEZNQCLSA-N 0 3 287.363 2.851 10 10 CFCEHN Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000180614539 380683518 /nfs/dbraw/zinc/68/35/18/380683518.db2.gz RQWOYMFMWYRLBT-INIZCTEOSA-N 0 3 285.391 2.870 10 10 CFCEHN Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000180614539 380683521 /nfs/dbraw/zinc/68/35/21/380683521.db2.gz RQWOYMFMWYRLBT-INIZCTEOSA-N 0 3 285.391 2.870 10 10 CFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000185507229 381653737 /nfs/dbraw/zinc/65/37/37/381653737.db2.gz KZAVLKPBLNVYCZ-ZOWXZIJZSA-N 0 3 279.380 2.603 10 10 CFCEHN COc1cc(Br)cc([C@H]([NH3+])CCF)c1[O-] ZINC000575438003 382771066 /nfs/dbraw/zinc/77/10/66/382771066.db2.gz BLABDRDRHQVLAM-MRVPVSSYSA-N 0 3 278.121 2.523 10 10 CFCEHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1N(C)C ZINC000251671071 383392891 /nfs/dbraw/zinc/39/28/91/383392891.db2.gz HJPJXSRDNBLFNK-SUMWQHHRSA-N 0 3 284.403 2.927 10 10 CFCEHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@H]1N(C)C ZINC000251671071 383392893 /nfs/dbraw/zinc/39/28/93/383392893.db2.gz HJPJXSRDNBLFNK-SUMWQHHRSA-N 0 3 284.403 2.927 10 10 CFCEHN Cc1cccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000281416493 385193718 /nfs/dbraw/zinc/19/37/18/385193718.db2.gz YRVWLUJGDGDTCQ-BTTYYORXSA-N 0 3 263.381 2.994 10 10 CFCEHN Cc1ccc([O-])c(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000120321713 393933163 /nfs/dbraw/zinc/93/31/63/393933163.db2.gz FATXWWFMMSULOJ-UHFFFAOYSA-N 0 3 298.390 2.567 10 10 CFCEHN CN(C)C[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000020129301 171016991 /nfs/dbraw/zinc/01/69/91/171016991.db2.gz QHYXOICRVAWYNW-INIZCTEOSA-N 0 3 270.376 2.785 10 10 CFCEHN C[C@H](C[NH2+][C@@H](C)c1ccc(O)cc1[O-])CN1CCCCC1 ZINC000038041801 174043332 /nfs/dbraw/zinc/04/33/32/174043332.db2.gz VKYHHUHCIFZQAL-KGLIPLIRSA-N 0 3 292.423 2.870 10 10 CFCEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1[O-] ZINC000246207847 277369209 /nfs/dbraw/zinc/36/92/09/277369209.db2.gz NIIPJYOZHMBWKD-CFVMTHIKSA-N 0 3 289.375 2.698 10 10 CFCEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1[O-] ZINC000246207847 277369211 /nfs/dbraw/zinc/36/92/11/277369211.db2.gz NIIPJYOZHMBWKD-CFVMTHIKSA-N 0 3 289.375 2.698 10 10 CFCEHN CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000049195655 519814787 /nfs/dbraw/zinc/81/47/87/519814787.db2.gz PFCHXTUZAGPKDK-OCCSQVGLSA-N 0 3 250.386 2.629 10 10 CFCEHN COCCNCc1ccc(N(C)C(C)C)c(C)c1 ZINC000062734557 523951637 /nfs/dbraw/zinc/95/16/37/523951637.db2.gz HTJDNJLSQKEWAA-UHFFFAOYSA-N 0 3 250.386 2.576 10 10 CFCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000245861586 524746984 /nfs/dbraw/zinc/74/69/84/524746984.db2.gz OYXAZPFMKXYLSE-YOEHRIQHSA-N 0 3 291.391 2.528 10 10 CFCEHN COc1ccc([O-])c(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000245861586 524746995 /nfs/dbraw/zinc/74/69/95/524746995.db2.gz OYXAZPFMKXYLSE-YOEHRIQHSA-N 0 3 291.391 2.528 10 10 CFCEHN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000094617009 525523649 /nfs/dbraw/zinc/52/36/49/525523649.db2.gz HBDNJSJOIQIDRO-BHDSKKPTSA-N 0 3 253.317 2.749 10 10 CFCEHN C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000094617791 619132423 /nfs/dbraw/zinc/13/24/23/619132423.db2.gz BFQLZGXQAHJPHL-JQWIXIFHSA-N 0 3 253.317 2.751 10 10 CFCEHN COc1cc(Br)cc([C@H]([NH3+])C(C)C)c1[O-] ZINC000095660184 619164945 /nfs/dbraw/zinc/16/49/45/619164945.db2.gz LOAANITWUYVLQY-SNVBAGLBSA-N 0 3 274.158 2.819 10 10 CFCEHN Nc1ccc(Br)c([C@H]2CCCC[NH2+]2)c1[O-] ZINC000308774955 348405243 /nfs/dbraw/zinc/40/52/43/348405243.db2.gz YNRVKOGWRNVOND-SECBINFHSA-N 0 3 271.158 2.552 10 10 CFCEHN CCN(C)c1ccc([C@@H](C)NCCn2cc(C)cn2)cc1 ZINC000124096267 377016324 /nfs/dbraw/zinc/01/63/24/377016324.db2.gz HZGMOJRBYNVOFG-OAHLLOKOSA-N 0 3 286.423 2.998 10 10 CFCEHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000131939698 377781190 /nfs/dbraw/zinc/78/11/90/377781190.db2.gz OUBALTNSWQDZQI-OAHLLOKOSA-N 0 3 271.364 2.771 10 10 CFCEHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000131939698 377781198 /nfs/dbraw/zinc/78/11/98/377781198.db2.gz OUBALTNSWQDZQI-OAHLLOKOSA-N 0 3 271.364 2.771 10 10 CFCEHN Cc1ccc(O)c(CN2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000131939698 377781206 /nfs/dbraw/zinc/78/12/06/377781206.db2.gz OUBALTNSWQDZQI-OAHLLOKOSA-N 0 3 271.364 2.771 10 10 CFCEHN Cc1cccc(C[N@H+]2C[C@@H]3CCCCN3C[C@@H]2C)c1[O-] ZINC000158034112 378663218 /nfs/dbraw/zinc/66/32/18/378663218.db2.gz NCFFDXXULYWNOM-HOCLYGCPSA-N 0 3 274.408 2.759 10 10 CFCEHN Cc1cccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@@H]2C)c1[O-] ZINC000158034112 378663222 /nfs/dbraw/zinc/66/32/22/378663222.db2.gz NCFFDXXULYWNOM-HOCLYGCPSA-N 0 3 274.408 2.759 10 10 CFCEHN CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccccc1[O-] ZINC000185211990 381567048 /nfs/dbraw/zinc/56/70/48/381567048.db2.gz XEWVSSUIGVOUCT-VHDGCEQUSA-N 0 3 263.381 2.984 10 10 CFCEHN Cc1cnn(CC[NH2+][C@H](C)c2cc(C)ccc2[O-])c1 ZINC000185842725 262310002 /nfs/dbraw/zinc/31/00/02/262310002.db2.gz CZBOCCCUYAFPKF-CYBMUJFWSA-N 0 3 259.353 2.556 10 10 CFCEHN CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000049195648 519793872 /nfs/dbraw/zinc/79/38/72/519793872.db2.gz PFCHXTUZAGPKDK-GXTWGEPZSA-N 0 3 250.386 2.629 10 10 CFCEHN COc1cccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000282247655 526012862 /nfs/dbraw/zinc/01/28/62/526012862.db2.gz OKKZQFLJEQOLAJ-VXGBXAGGSA-N 0 3 279.380 2.694 10 10 CFCEHN CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(Cl)ccc1[O-] ZINC000156081885 650042885 /nfs/dbraw/zinc/04/28/85/650042885.db2.gz BXCBLURGCDAADR-CQSZACIVSA-N 0 3 282.815 2.962 10 10 CFCEHN CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(Cl)ccc1[O-] ZINC000156081885 650042888 /nfs/dbraw/zinc/04/28/88/650042888.db2.gz BXCBLURGCDAADR-CQSZACIVSA-N 0 3 282.815 2.962 10 10 CFCEHN Cc1cccc(CN2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000124552877 377063214 /nfs/dbraw/zinc/06/32/14/377063214.db2.gz RGGZQQILVNXGJS-LSDHHAIUSA-N 0 3 261.365 2.844 10 10 CFCEHN Cc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000124552643 377063506 /nfs/dbraw/zinc/06/35/06/377063506.db2.gz RGGZQQILVNXGJS-GJZGRUSLSA-N 0 3 261.365 2.844 10 10 CFCEHN Cn1nccc1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179567606 380558412 /nfs/dbraw/zinc/55/84/12/380558412.db2.gz QSGXFFVFNQSKNJ-UHFFFAOYSA-N 0 3 271.364 2.505 10 10 CFCEHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCC[C@H]1CO)CC2 ZINC000297685657 381569560 /nfs/dbraw/zinc/56/95/60/381569560.db2.gz LSAHDHHLWYKCIP-IHRRRGAJSA-N 0 3 261.365 2.520 10 10 CFCEHN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000378498240 382473986 /nfs/dbraw/zinc/47/39/86/382473986.db2.gz PUTDFGAGCHXUFI-AWEZNQCLSA-N 0 3 278.371 2.592 10 10 CFCEHN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000378498240 382473989 /nfs/dbraw/zinc/47/39/89/382473989.db2.gz PUTDFGAGCHXUFI-AWEZNQCLSA-N 0 3 278.371 2.592 10 10 CFCEHN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000378498242 285380468 /nfs/dbraw/zinc/38/04/68/285380468.db2.gz PUTDFGAGCHXUFI-CQSZACIVSA-N 0 3 278.371 2.592 10 10 CFCEHN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000378498242 285380470 /nfs/dbraw/zinc/38/04/70/285380470.db2.gz PUTDFGAGCHXUFI-CQSZACIVSA-N 0 3 278.371 2.592 10 10 CFCEHN Cc1nn(-c2ccccc2)c2c1C(=O)C(=[N+]=[N-])C(C)(C)C2 ZINC000096298987 393818717 /nfs/dbraw/zinc/81/87/17/393818717.db2.gz KKMVBVNIZXLZJX-UHFFFAOYSA-N 0 3 281.339 2.626 10 10 CFCEHN C[C@H](N[C@@H](C)c1ccc(O)cc1O)c1ccccn1 ZINC000020123396 171004045 /nfs/dbraw/zinc/00/40/45/171004045.db2.gz BNNNYGALCCNGCW-QWRGUYRKSA-N 0 3 258.321 2.905 10 10 CFCEHN C[C@@H](N[C@@H](C)c1ccc(O)cc1O)c1ccccn1 ZINC000020123395 171004336 /nfs/dbraw/zinc/00/43/36/171004336.db2.gz BNNNYGALCCNGCW-WDEREUQCSA-N 0 3 258.321 2.905 10 10 CFCEHN [O-]c1ccc2ccccc2c1C[NH2+]CCN1CCCC1 ZINC000020126797 171010983 /nfs/dbraw/zinc/01/09/83/171010983.db2.gz AXKGHEYYMAPXPT-UHFFFAOYSA-N 0 3 270.376 2.731 10 10 CFCEHN Cc1cnn(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185843536 262309891 /nfs/dbraw/zinc/30/98/91/262309891.db2.gz JHNWHUSGZJSQHP-ZDUSSCGKSA-N 0 3 259.353 2.556 10 10 CFCEHN CCN1CCC/C1=C/C=C1\SC(=S)N(CC)C1=O ZINC000100326590 276152313 /nfs/dbraw/zinc/15/23/13/276152313.db2.gz KKACEFKPAJPBRW-DEFDFUCDSA-N 0 3 282.434 2.750 10 10 CFCEHN C[C@@H](C[NH2+]Cc1cccc(F)c1[O-])CN1CCCCC1 ZINC000165032001 524742308 /nfs/dbraw/zinc/74/23/08/524742308.db2.gz LEAGKOWZBCUPDW-ZDUSSCGKSA-N 0 3 280.387 2.743 10 10 CFCEHN Cc1ccc([C@@H](C)NCc2cc3c(cc2O)OCO3)o1 ZINC000042879869 525730483 /nfs/dbraw/zinc/73/04/83/525730483.db2.gz JIGPVUVNDXDKIE-SNVBAGLBSA-N 0 3 275.304 2.873 10 10 CFCEHN CN(C)c1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810634 375159329 /nfs/dbraw/zinc/15/93/29/375159329.db2.gz DVHRCXDZDUKHDG-UHFFFAOYSA-N 0 3 284.407 2.855 10 10 CFCEHN Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179583363 380560036 /nfs/dbraw/zinc/56/00/36/380560036.db2.gz IFRHSAJQABQXSA-OAHLLOKOSA-N 0 3 271.364 2.562 10 10 CFCEHN Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179583363 380560044 /nfs/dbraw/zinc/56/00/44/380560044.db2.gz IFRHSAJQABQXSA-OAHLLOKOSA-N 0 3 271.364 2.562 10 10 CFCEHN Cc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1[O-] ZINC000179981680 380605066 /nfs/dbraw/zinc/60/50/66/380605066.db2.gz IEBKCVUMDHAWQC-UHFFFAOYSA-N 0 3 271.364 2.803 10 10 CFCEHN C[C@@H]1CC(C[NH2+]Cc2cc(F)ccc2[O-])C[C@@H](C)O1 ZINC000281337895 385188980 /nfs/dbraw/zinc/18/89/80/385188980.db2.gz SKHCVSPZOALXLS-GHMZBOCLSA-N 0 3 267.344 2.825 10 10 CFCEHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c([O-])c1 ZINC000273359522 385678463 /nfs/dbraw/zinc/67/84/63/385678463.db2.gz AFALEOOXLVRLJU-BXUZGUMPSA-N 0 3 251.370 2.758 10 10 CFCEHN Cc1cccc(CN2CCN(c3ccc(N)cc3)CC2)c1 ZINC000008030953 393468386 /nfs/dbraw/zinc/46/83/86/393468386.db2.gz ZQANTFYHBKPXCL-UHFFFAOYSA-N 0 3 281.403 2.899 10 10 CFCEHN COc1cc(OC)cc([C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000011737564 170438157 /nfs/dbraw/zinc/43/81/57/170438157.db2.gz OYEKTWUDRHQREY-QGZVFWFLSA-N 0 3 286.375 2.818 10 10 CFCEHN [O-]c1cc(O)ccc1C[NH2+]CCCc1ccccc1 ZINC000020122704 171003756 /nfs/dbraw/zinc/00/37/56/171003756.db2.gz RUXWOKASXQVKMV-UHFFFAOYSA-N 0 3 257.333 2.820 10 10 CFCEHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000020129711 171017861 /nfs/dbraw/zinc/01/78/61/171017861.db2.gz BBHORAKBMYCNDR-HNNXBMFYSA-N 0 3 255.317 2.875 10 10 CFCEHN C[C@H](C[NH2+][C@H](C)c1ccc(O)cc1[O-])N1CCCCC1 ZINC000038028559 174017472 /nfs/dbraw/zinc/01/74/72/174017472.db2.gz DTKLTVSWRDSXKD-CHWSQXEVSA-N 0 3 278.396 2.623 10 10 CFCEHN COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c([O-])c1 ZINC000038095961 174110034 /nfs/dbraw/zinc/11/00/34/174110034.db2.gz QMBGUXLQQWNHKC-NEPJUHHUSA-N 0 3 265.353 2.621 10 10 CFCEHN C[C@H](CC[NH2+]Cc1ccccc1[O-])NC(=O)OC(C)(C)C ZINC000222081957 524194087 /nfs/dbraw/zinc/19/40/87/524194087.db2.gz XFQBYSCYCGYSFR-GFCCVEGCSA-N 0 3 294.395 2.785 10 10 CFCEHN C[C@H](C[NH2+]Cc1cccc(F)c1[O-])CN1CCCCC1 ZINC000165032108 524487646 /nfs/dbraw/zinc/48/76/46/524487646.db2.gz LEAGKOWZBCUPDW-CYBMUJFWSA-N 0 3 280.387 2.743 10 10 CFCEHN C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000273621314 525494172 /nfs/dbraw/zinc/49/41/72/525494172.db2.gz ZBKCQIAXRXFZGC-RNCFNFMXSA-N 0 3 255.333 2.589 10 10 CFCEHN Oc1ccc(F)cc1CN[C@@H]1COc2ccccc21 ZINC000226607616 526352020 /nfs/dbraw/zinc/35/20/20/526352020.db2.gz BMFKHQABBWITMS-CYBMUJFWSA-N 0 3 259.280 2.755 10 10 CFCEHN c1cc(CNCc2ccc3c(c2)CCO3)cc2c1OCC2 ZINC000390824382 382618895 /nfs/dbraw/zinc/61/88/95/382618895.db2.gz LYHOPKWSCHSGTN-UHFFFAOYSA-N 0 3 281.355 2.846 10 10 CFCEHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)c([O-])c1 ZINC000273359531 385679648 /nfs/dbraw/zinc/67/96/48/385679648.db2.gz AFALEOOXLVRLJU-FZMZJTMJSA-N 0 3 251.370 2.758 10 10 CFCEHN COc1ccc(O)c(CN[C@@H](C)c2ccncc2)c1 ZINC000020121839 171001361 /nfs/dbraw/zinc/00/13/61/171001361.db2.gz QRKYCFXGHFEFRQ-NSHDSACASA-N 0 3 258.321 2.647 10 10 CFCEHN COc1ccc([C@H](C)[NH2+]Cc2ccncc2)c([O-])c1 ZINC000020140527 171026892 /nfs/dbraw/zinc/02/68/92/171026892.db2.gz TXOCPSQHZASXQE-NSHDSACASA-N 0 3 258.321 2.647 10 10 CFCEHN COc1ccc(O)c(CN2CCc3c(N)cccc3C2)c1 ZINC000038032713 174029464 /nfs/dbraw/zinc/02/94/64/174029464.db2.gz GKVYIHYYAAJDTL-UHFFFAOYSA-N 0 3 284.359 2.541 10 10 CFCEHN Cc1nccc(C[NH2+]Cc2c([O-])ccc3ccccc32)n1 ZINC000038037415 174037693 /nfs/dbraw/zinc/03/76/93/174037693.db2.gz NXPQIAGGOLIVMD-UHFFFAOYSA-N 0 3 279.343 2.934 10 10 CFCEHN CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000049195652 519793997 /nfs/dbraw/zinc/79/39/97/519793997.db2.gz PFCHXTUZAGPKDK-TZMCWYRMSA-N 0 3 250.386 2.629 10 10 CFCEHN COCCNCc1ccc(N2CC[C@H](C)C2)cc1C ZINC000062736655 523951579 /nfs/dbraw/zinc/95/15/79/523951579.db2.gz XZMRDIXOKLWKCB-ZDUSSCGKSA-N 0 3 262.397 2.577 10 10 CFCEHN C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(O)c1[O-] ZINC000049157387 524938773 /nfs/dbraw/zinc/93/87/73/524938773.db2.gz KWFCHXWHSSPALR-JTQLQIEISA-N 0 3 263.362 2.880 10 10 CFCEHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000085965352 525365103 /nfs/dbraw/zinc/36/51/03/525365103.db2.gz HXMYDZCWDGYCKC-YDHLFZDLSA-N 0 3 263.381 2.902 10 10 CFCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245909872 526347996 /nfs/dbraw/zinc/34/79/96/526347996.db2.gz FSPCDAKWMVGWDJ-XJKSGUPXSA-N 0 3 279.355 2.658 10 10 CFCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245909872 526348001 /nfs/dbraw/zinc/34/80/01/526348001.db2.gz FSPCDAKWMVGWDJ-XJKSGUPXSA-N 0 3 279.355 2.658 10 10 CFCEHN N#[N+]C=C([O-])c1ccc(OCc2ccccc2)cc1 ZINC000100996784 534975174 /nfs/dbraw/zinc/97/51/74/534975174.db2.gz OGNMCLDBFLMCBT-UHFFFAOYSA-N 0 3 252.273 2.749 10 10 CFCEHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000042880459 621543915 /nfs/dbraw/zinc/54/39/15/621543915.db2.gz PLYIOFUGKAOGLA-NSHDSACASA-N 0 3 251.326 2.645 10 10 CFCEHN CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccccc1[O-] ZINC000040502298 649984892 /nfs/dbraw/zinc/98/48/92/649984892.db2.gz ZTGCISKXTILPDG-UKRRQHHQSA-N 0 3 262.397 2.917 10 10 CFCEHN CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(Cl)ccc1[O-] ZINC000156081999 650042780 /nfs/dbraw/zinc/04/27/80/650042780.db2.gz BXCBLURGCDAADR-AWEZNQCLSA-N 0 3 282.815 2.962 10 10 CFCEHN CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(Cl)ccc1[O-] ZINC000156081999 650042785 /nfs/dbraw/zinc/04/27/85/650042785.db2.gz BXCBLURGCDAADR-AWEZNQCLSA-N 0 3 282.815 2.962 10 10 CFCEHN COc1ccc2c(c1[O-])[C@@H](Cc1ccc(O)cc1)[NH2+]CC2 ZINC000085954099 179203789 /nfs/dbraw/zinc/20/37/89/179203789.db2.gz BXWMZVREXWPYKF-CQSZACIVSA-N 0 3 285.343 2.536 10 10 biogenic,in-vitro CFCEHN Cc1cc(Br)cc([C@H]2CCC[NH2+]2)c1[O-] ZINC000238532222 348246696 /nfs/dbraw/zinc/24/66/96/348246696.db2.gz LFYAUHRJESDAPO-SNVBAGLBSA-N 0 3 256.143 2.888 10 10 CFCEHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CC2 ZINC000297631836 200247571 /nfs/dbraw/zinc/24/75/71/200247571.db2.gz JIQFVWWKOOVWBM-MJBXVCDLSA-N 0 3 261.365 2.520 10 10 CFCEHN Cc1cccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000180052533 380616547 /nfs/dbraw/zinc/61/65/47/380616547.db2.gz HHBJEFBWRLHLHV-OAHLLOKOSA-N 0 3 271.364 2.771 10 10 CFCEHN Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000180052533 380616552 /nfs/dbraw/zinc/61/65/52/380616552.db2.gz HHBJEFBWRLHLHV-OAHLLOKOSA-N 0 3 271.364 2.771 10 10 CFCEHN Cc1cccc(CN2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000180052533 380616557 /nfs/dbraw/zinc/61/65/57/380616557.db2.gz HHBJEFBWRLHLHV-OAHLLOKOSA-N 0 3 271.364 2.771 10 10 CFCEHN CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])[C@@H](C)C1 ZINC000183616887 381295635 /nfs/dbraw/zinc/29/56/35/381295635.db2.gz JKHRJHPVJSTXSL-YDHLFZDLSA-N 0 3 262.397 2.772 10 10 CFCEHN C[C@H](NCCO)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000253495336 383461767 /nfs/dbraw/zinc/46/17/67/383461767.db2.gz WIARLQSLBTVGFI-STQMWFEESA-N 0 3 280.387 2.705 10 10 CFCEHN Cc1ccc(CN2CCN(c3ccc(N)cc3)CC2)cc1 ZINC000008030956 393467456 /nfs/dbraw/zinc/46/74/56/393467456.db2.gz HGJDRXBLYWVBLD-UHFFFAOYSA-N 0 3 281.403 2.899 10 10 CFCEHN Cc1ccc(COc2ccc(N3CCNCC3)cc2)cc1 ZINC000019688485 134702626 /nfs/dbraw/zinc/70/26/26/134702626.db2.gz QSPUNPMUUXVYHX-UHFFFAOYSA-N 0 3 282.387 2.984 10 10 CFCEHN COc1ccc([C@H](C)[NH2+]Cc2cccnc2)c([O-])c1 ZINC000020141415 171027823 /nfs/dbraw/zinc/02/78/23/171027823.db2.gz DPHRQUQMWYOASO-NSHDSACASA-N 0 3 258.321 2.647 10 10 CFCEHN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N(C)C ZINC000020145613 171030792 /nfs/dbraw/zinc/03/07/92/171030792.db2.gz PYVUGHXVRVMIMP-GXTWGEPZSA-N 0 3 250.386 2.629 10 10 CFCEHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCCc2occc21 ZINC000020204128 171069475 /nfs/dbraw/zinc/06/94/75/171069475.db2.gz XUERJYDXLMGRHU-ZDUSSCGKSA-N 0 3 259.305 2.858 10 10 CFCEHN Cc1ccc([O-])c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C)N(C)C ZINC000038088313 174101311 /nfs/dbraw/zinc/10/13/11/174101311.db2.gz GJTSYEHOEYDXCN-UPJWGTAASA-N 0 3 262.397 2.789 10 10 CFCEHN CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000049195651 519814729 /nfs/dbraw/zinc/81/47/29/519814729.db2.gz PFCHXTUZAGPKDK-JSGCOSHPSA-N 0 3 250.386 2.629 10 10 CFCEHN COCCNCc1ccc(N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000062734634 523952107 /nfs/dbraw/zinc/95/21/07/523952107.db2.gz XPVYVPFYLACMBR-GJZGRUSLSA-N 0 3 276.424 2.905 10 10 CFCEHN Cc1cc([O-])c(C[N@@H+]2CCS[C@@H](C)C2)cc1C ZINC000171606499 525318316 /nfs/dbraw/zinc/31/83/16/525318316.db2.gz LKDNNQKJUCZLKS-LBPRGKRZSA-N 0 3 251.395 2.946 10 10 CFCEHN Cc1cc([O-])c(C[N@H+]2CCS[C@@H](C)C2)cc1C ZINC000171606499 525318325 /nfs/dbraw/zinc/31/83/25/525318325.db2.gz LKDNNQKJUCZLKS-LBPRGKRZSA-N 0 3 251.395 2.946 10 10 CFCEHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H]1CCCO1 ZINC000245873136 525604466 /nfs/dbraw/zinc/60/44/66/525604466.db2.gz HBDNJSJOIQIDRO-IMSIIYSGSA-N 0 3 253.317 2.749 10 10 CFCEHN C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000094617792 619133023 /nfs/dbraw/zinc/13/30/23/619133023.db2.gz BFQLZGXQAHJPHL-PWSUYJOCSA-N 0 3 253.317 2.751 10 10 CFCEHN CCN1CCC[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228671993 620072930 /nfs/dbraw/zinc/07/29/30/620072930.db2.gz BYUXGSVXSZYPQN-ZDUSSCGKSA-N 0 3 298.814 2.628 10 10 CFCEHN [O-]c1c(C[NH2+]C2CCCCCC2)ccc(O)c1O ZINC000083385048 178392999 /nfs/dbraw/zinc/39/29/99/178392999.db2.gz XJVBJXQLKFRGHH-UHFFFAOYSA-N 0 3 251.326 2.616 10 10 CFCEHN CCCCOCCC[NH2+]Cc1ccc(OC)cc1[O-] ZINC000083495522 178524711 /nfs/dbraw/zinc/52/47/11/178524711.db2.gz ZMGQCDMSCCBYAE-UHFFFAOYSA-N 0 3 267.369 2.697 10 10 CFCEHN COc1cccc(CN2CCCC[C@@H]2c2cn[nH]c2)c1O ZINC000093438318 375237074 /nfs/dbraw/zinc/23/70/74/375237074.db2.gz WWPRPQXYTUATMO-CQSZACIVSA-N 0 3 287.363 2.851 10 10 CFCEHN Cc1ccc([O-])c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000122110792 376922163 /nfs/dbraw/zinc/92/21/63/376922163.db2.gz AOBHJHVFIIEHOK-UHFFFAOYSA-N 0 3 285.391 2.809 10 10 CFCEHN Cc1cnn([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC000179572771 380559360 /nfs/dbraw/zinc/55/93/60/380559360.db2.gz DPFKKHMTTBYMLV-HNNXBMFYSA-N 0 3 271.364 2.734 10 10 CFCEHN Cc1cnn([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC000179572771 380559363 /nfs/dbraw/zinc/55/93/63/380559363.db2.gz DPFKKHMTTBYMLV-HNNXBMFYSA-N 0 3 271.364 2.734 10 10 CFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000186101666 381823179 /nfs/dbraw/zinc/82/31/79/381823179.db2.gz XDEQILXFLDUTNJ-XEZPLFJOSA-N 0 3 292.423 2.780 10 10 CFCEHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)CC2 ZINC000297685652 296551236 /nfs/dbraw/zinc/55/12/36/296551236.db2.gz LSAHDHHLWYKCIP-BFHYXJOUSA-N 0 3 261.365 2.520 10 10 CFCEHN C[C@@H]([NH2+][C@H](C)c1ccc(O)cc1[O-])c1ccncc1 ZINC000020121264 171000193 /nfs/dbraw/zinc/00/01/93/171000193.db2.gz LPIFARRHWKWHEE-GHMZBOCLSA-N 0 3 258.321 2.905 10 10 CFCEHN C=COCCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000020197392 171061144 /nfs/dbraw/zinc/06/11/44/171061144.db2.gz BAGDDQMRZAFMRA-NSHDSACASA-N 0 3 251.326 2.602 10 10 CFCEHN COc1cccc(CN2CCc3c(N)cccc3C2)c1O ZINC000038032480 174028159 /nfs/dbraw/zinc/02/81/59/174028159.db2.gz KWDHJBZTBITXNZ-UHFFFAOYSA-N 0 3 284.359 2.541 10 10 CFCEHN CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000221046057 518826177 /nfs/dbraw/zinc/82/61/77/518826177.db2.gz SXJUNQJENVHHRX-UHFFFAOYSA-N 0 3 294.395 2.785 10 10 CFCEHN CC[C@@H](C)N(C)c1ccc(CNCCOC)c(C)c1 ZINC000062735383 522066262 /nfs/dbraw/zinc/06/62/62/522066262.db2.gz HUFXYPIGCIRBRY-CQSZACIVSA-N 0 3 264.413 2.966 10 10 CFCEHN CC[C@H](C)CN(C)c1ccc(CNCCOC)cc1 ZINC000062735508 523871926 /nfs/dbraw/zinc/87/19/26/523871926.db2.gz FDCJTRXOJKVXPW-AWEZNQCLSA-N 0 3 264.413 2.905 10 10 CFCEHN C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000273621317 525379446 /nfs/dbraw/zinc/37/94/46/525379446.db2.gz ZBKCQIAXRXFZGC-TVQRCGJNSA-N 0 3 255.333 2.589 10 10 CFCEHN CCC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)CC ZINC000161328214 283297526 /nfs/dbraw/zinc/29/75/26/283297526.db2.gz GGFJSITWAUHEGH-OAHLLOKOSA-N 0 3 251.370 2.765 10 10 CFCEHN CCC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)CC ZINC000161328214 283297528 /nfs/dbraw/zinc/29/75/28/283297528.db2.gz GGFJSITWAUHEGH-OAHLLOKOSA-N 0 3 251.370 2.765 10 10 CFCEHN COCCN[C@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020550913 372239509 /nfs/dbraw/zinc/23/95/09/372239509.db2.gz ROWFWWFZUVWCCX-GFCCVEGCSA-N 0 3 266.360 2.723 10 10 CFCEHN COc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000093585804 375270261 /nfs/dbraw/zinc/27/02/61/375270261.db2.gz AWOVAXRUPXRDRI-RHSMWYFYSA-N 0 3 291.391 2.528 10 10 CFCEHN COc1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000093585804 375270264 /nfs/dbraw/zinc/27/02/64/375270264.db2.gz AWOVAXRUPXRDRI-RHSMWYFYSA-N 0 3 291.391 2.528 10 10 CFCEHN CN(C)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000112590107 375931888 /nfs/dbraw/zinc/93/18/88/375931888.db2.gz YAELEGXUDQSAGB-CQSZACIVSA-N 0 3 270.376 2.681 10 10 CFCEHN CN(C)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000112590107 375931894 /nfs/dbraw/zinc/93/18/94/375931894.db2.gz YAELEGXUDQSAGB-CQSZACIVSA-N 0 3 270.376 2.681 10 10 CFCEHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1C ZINC000116259522 376173437 /nfs/dbraw/zinc/17/34/37/376173437.db2.gz WRBKRLGZGZPBRI-CQSZACIVSA-N 0 3 285.391 2.732 10 10 CFCEHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1C ZINC000116259522 376173442 /nfs/dbraw/zinc/17/34/42/376173442.db2.gz WRBKRLGZGZPBRI-CQSZACIVSA-N 0 3 285.391 2.732 10 10 CFCEHN CCOc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1[O-] ZINC000135646300 378153731 /nfs/dbraw/zinc/15/37/31/378153731.db2.gz KOAUNECMJFRUNK-ZIAGYGMSSA-N 0 3 279.380 2.574 10 10 CFCEHN [O-]c1ccccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000179567663 380558088 /nfs/dbraw/zinc/55/80/88/380558088.db2.gz DKZXAXHLSQIHPP-CQSZACIVSA-N 0 3 283.375 2.721 10 10 CFCEHN [O-]c1ccccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000179567663 380558095 /nfs/dbraw/zinc/55/80/95/380558095.db2.gz DKZXAXHLSQIHPP-CQSZACIVSA-N 0 3 283.375 2.721 10 10 CFCEHN Cc1nc(C[C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)no1 ZINC000179570413 380558320 /nfs/dbraw/zinc/55/83/20/380558320.db2.gz GJZNRHOKMVGHNM-CYBMUJFWSA-N 0 3 287.363 2.538 10 10 CFCEHN Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)no1 ZINC000179570413 380558326 /nfs/dbraw/zinc/55/83/26/380558326.db2.gz GJZNRHOKMVGHNM-CYBMUJFWSA-N 0 3 287.363 2.538 10 10 CFCEHN [O-]c1ccccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000179575693 380560947 /nfs/dbraw/zinc/56/09/47/380560947.db2.gz YHVZJYKAWYSTLS-AWEZNQCLSA-N 0 3 257.337 2.843 10 10 CFCEHN [O-]c1ccccc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000179575693 380560949 /nfs/dbraw/zinc/56/09/49/380560949.db2.gz YHVZJYKAWYSTLS-AWEZNQCLSA-N 0 3 257.337 2.843 10 10 CFCEHN Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179583355 380561202 /nfs/dbraw/zinc/56/12/02/380561202.db2.gz IFRHSAJQABQXSA-HNNXBMFYSA-N 0 3 271.364 2.562 10 10 CFCEHN Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179583355 380561204 /nfs/dbraw/zinc/56/12/04/380561204.db2.gz IFRHSAJQABQXSA-HNNXBMFYSA-N 0 3 271.364 2.562 10 10 CFCEHN COc1ccc(O)c(CN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000180262795 380640383 /nfs/dbraw/zinc/64/03/83/380640383.db2.gz RSECCCCCNOLDDX-HNNXBMFYSA-N 0 3 287.363 2.851 10 10 CFCEHN Cc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1[O-] ZINC000180125338 380622054 /nfs/dbraw/zinc/62/20/54/380622054.db2.gz NCUFLNCKWXIOSJ-UHFFFAOYSA-N 0 3 285.391 2.809 10 10 CFCEHN Cc1cnn([C@H]2CCC[N@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC000180121042 380622736 /nfs/dbraw/zinc/62/27/36/380622736.db2.gz AYGZERPJDVHEGD-HNNXBMFYSA-N 0 3 289.354 2.873 10 10 CFCEHN Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC000180121042 380622739 /nfs/dbraw/zinc/62/27/39/380622739.db2.gz AYGZERPJDVHEGD-HNNXBMFYSA-N 0 3 289.354 2.873 10 10 CFCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000185507194 286339224 /nfs/dbraw/zinc/33/92/24/286339224.db2.gz KZAVLKPBLNVYCZ-YWPYICTPSA-N 0 3 279.380 2.603 10 10 CFCEHN COc1ccc2c(c1[O-])C[NH2+]C[C@H]2c1ccc(O)c(C)c1 ZINC000004963093 170045633 /nfs/dbraw/zinc/04/56/33/170045633.db2.gz BZDLZILJDIZOMM-ZDUSSCGKSA-N 0 3 285.343 2.650 10 10 CFCEHN C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(O)cc1[O-] ZINC000038028558 174017245 /nfs/dbraw/zinc/01/72/45/174017245.db2.gz DTKLTVSWRDSXKD-QWHCGFSZSA-N 0 3 278.396 2.623 10 10 CFCEHN CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC000272254616 521722586 /nfs/dbraw/zinc/72/25/86/521722586.db2.gz CMDFPJDCUSPKCV-KGLIPLIRSA-N 0 3 278.371 2.590 10 10 CFCEHN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC000272254616 521722587 /nfs/dbraw/zinc/72/25/87/521722587.db2.gz CMDFPJDCUSPKCV-KGLIPLIRSA-N 0 3 278.371 2.590 10 10 CFCEHN C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000273621312 525473919 /nfs/dbraw/zinc/47/39/19/525473919.db2.gz ZBKCQIAXRXFZGC-NOZJJQNGSA-N 0 3 255.333 2.589 10 10 CFCEHN COC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000151634343 623545298 /nfs/dbraw/zinc/54/52/98/623545298.db2.gz RLZYGCBAVWKIJE-CQSZACIVSA-N 0 3 299.370 2.930 10 10 CFCEHN COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000151634343 623545300 /nfs/dbraw/zinc/54/53/00/623545300.db2.gz RLZYGCBAVWKIJE-CQSZACIVSA-N 0 3 299.370 2.930 10 10 CFCEHN CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1ccccc1[O-] ZINC000040502299 649985077 /nfs/dbraw/zinc/98/50/77/649985077.db2.gz ZTGCISKXTILPDG-ZFWWWQNUSA-N 0 3 262.397 2.917 10 10 CFCEHN CCN1CCC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000245918597 650843744 /nfs/dbraw/zinc/84/37/44/650843744.db2.gz ZGDXVCASVABOAG-YPMHNXCESA-N 0 3 266.360 2.666 10 10 CFCEHN [O-]c1c(O)cc2c(c1F)CC[NH2+]C[C@H]2c1ccccc1 ZINC000026386737 372318313 /nfs/dbraw/zinc/31/83/13/372318313.db2.gz LXZIBTPIJYEOGH-ZDUSSCGKSA-N 0 3 273.307 2.515 10 10 CFCEHN Cc1cc([O-])c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000116259519 376173603 /nfs/dbraw/zinc/17/36/03/376173603.db2.gz WRBKRLGZGZPBRI-AWEZNQCLSA-N 0 3 285.391 2.732 10 10 CFCEHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000116259519 376173609 /nfs/dbraw/zinc/17/36/09/376173609.db2.gz WRBKRLGZGZPBRI-AWEZNQCLSA-N 0 3 285.391 2.732 10 10 CFCEHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000179567676 380558764 /nfs/dbraw/zinc/55/87/64/380558764.db2.gz DKZXAXHLSQIHPP-AWEZNQCLSA-N 0 3 283.375 2.721 10 10 CFCEHN [O-]c1ccccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000179567676 380558770 /nfs/dbraw/zinc/55/87/70/380558770.db2.gz DKZXAXHLSQIHPP-AWEZNQCLSA-N 0 3 283.375 2.721 10 10 CFCEHN COc1cccc(CN[C@@H](C)c2ccncc2)c1O ZINC000020121244 171000490 /nfs/dbraw/zinc/00/04/90/171000490.db2.gz RTQHQBQSGMUWFP-NSHDSACASA-N 0 3 258.321 2.647 10 10 CFCEHN C[C@@H](N[C@H](C)c1cc(O)ccc1O)c1ccncc1 ZINC000020121347 171000545 /nfs/dbraw/zinc/00/05/45/171000545.db2.gz RHNFWECFBZOVFT-GHMZBOCLSA-N 0 3 258.321 2.905 10 10 CFCEHN COc1ccc([C@@H](C)[NH2+]Cc2cccnc2)c([O-])c1 ZINC000020141413 171027984 /nfs/dbraw/zinc/02/79/84/171027984.db2.gz DPHRQUQMWYOASO-LLVKDONJSA-N 0 3 258.321 2.647 10 10 CFCEHN C[C@H](C[NH2+][C@H](C)c1ccc(O)cc1[O-])CN1CCCCC1 ZINC000038041803 174043374 /nfs/dbraw/zinc/04/33/74/174043374.db2.gz VKYHHUHCIFZQAL-ZIAGYGMSSA-N 0 3 292.423 2.870 10 10 CFCEHN Cc1cc(Cl)cc(CN2CC[N@H+]3CCC[C@H]3C2)c1[O-] ZINC000245856546 524866161 /nfs/dbraw/zinc/86/61/61/524866161.db2.gz NQRZGSAHRYIUPU-AWEZNQCLSA-N 0 3 280.799 2.634 10 10 CFCEHN Cc1cc(Cl)cc(CN2CC[N@@H+]3CCC[C@H]3C2)c1[O-] ZINC000245856546 524866149 /nfs/dbraw/zinc/86/61/49/524866149.db2.gz NQRZGSAHRYIUPU-AWEZNQCLSA-N 0 3 280.799 2.634 10 10 CFCEHN Cc1ccc([O-])c(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000282290906 525345893 /nfs/dbraw/zinc/34/58/93/525345893.db2.gz RCYRSJHWSJCWKW-STQMWFEESA-N 0 3 263.381 2.994 10 10 CFCEHN C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000245866184 525413700 /nfs/dbraw/zinc/41/37/00/525413700.db2.gz FDEQAEWHGDNXAK-MISXGVKJSA-N 0 3 267.344 2.733 10 10 CFCEHN [O-]c1ccc2ccccc2c1C[NH2+][C@H]1CCCOC1 ZINC000109543617 526356052 /nfs/dbraw/zinc/35/60/52/526356052.db2.gz BQWNBNIZVUXGMC-ZDUSSCGKSA-N 0 3 257.333 2.814 10 10 CFCEHN CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000249615218 650964493 /nfs/dbraw/zinc/96/44/93/650964493.db2.gz WSAZNLFKKRHREV-KGLIPLIRSA-N 0 3 262.397 2.836 10 10 CFCEHN COc1ccc(C([O-])=C[N+]#N)c(-c2ccccc2)c1 ZINC000584603895 348687272 /nfs/dbraw/zinc/68/72/72/348687272.db2.gz VPIQORHZROINPM-UHFFFAOYSA-N 0 3 252.273 2.846 10 10 CFCEHN Cc1cccc(CN[C@@H]2COc3ccccc32)c1O ZINC000124808773 377089989 /nfs/dbraw/zinc/08/99/89/377089989.db2.gz JZAWOLCJWXTRCQ-CQSZACIVSA-N 0 3 255.317 2.924 10 10 CFCEHN CCOc1cccc(CN2CCS[C@@H](C)C2)c1O ZINC000131355411 377700653 /nfs/dbraw/zinc/70/06/53/377700653.db2.gz TZQAFJXVWUNDGL-NSHDSACASA-N 0 3 267.394 2.728 10 10 CFCEHN [O-]c1ccccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000179572459 380559085 /nfs/dbraw/zinc/55/90/85/380559085.db2.gz XCOLTCAJFWINNY-UHFFFAOYSA-N 0 3 271.364 2.501 10 10 CFCEHN C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1[O-] ZINC000183606455 381293840 /nfs/dbraw/zinc/29/38/40/381293840.db2.gz VZSNHXTXAJVFBY-KBPBESRZSA-N 0 3 298.390 2.502 10 10 CFCEHN Cc1cccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1[O-] ZINC000281416495 385193703 /nfs/dbraw/zinc/19/37/03/385193703.db2.gz YRVWLUJGDGDTCQ-CHWSQXEVSA-N 0 3 263.381 2.994 10 10 CFCEHN Cc1cccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1[O-] ZINC000281416497 385194051 /nfs/dbraw/zinc/19/40/51/385194051.db2.gz YRVWLUJGDGDTCQ-STQMWFEESA-N 0 3 263.381 2.994 10 10 CFCEHN C[C@H](C[NH2+]Cc1ccccc1[O-])N(C)C(=O)OC(C)(C)C ZINC000282821692 385394321 /nfs/dbraw/zinc/39/43/21/385394321.db2.gz NIHZDPNKFUUNSS-GFCCVEGCSA-N 0 3 294.395 2.737 10 10 CFCEHN Nc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 ZINC000008030979 393467130 /nfs/dbraw/zinc/46/71/30/393467130.db2.gz FEFYCXTXTLNRTM-UHFFFAOYSA-N 0 3 281.403 2.634 10 10 CFCEHN Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+]CCCN(C)C ZINC000019959112 170942331 /nfs/dbraw/zinc/94/23/31/170942331.db2.gz XXVRHNJRHBRQRF-QWHCGFSZSA-N 0 3 262.397 2.790 10 10 CFCEHN CN(C)C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000020129300 171017276 /nfs/dbraw/zinc/01/72/76/171017276.db2.gz QHYXOICRVAWYNW-MRXNPFEDSA-N 0 3 270.376 2.785 10 10 CFCEHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1[O-] ZINC000228671048 522541727 /nfs/dbraw/zinc/54/17/27/522541727.db2.gz DJJGRQJBUPDBNI-CABZTGNLSA-N 0 3 285.771 2.711 10 10 CFCEHN C[C@H]1CC(C[NH2+]Cc2cc(F)ccc2[O-])C[C@H](C)O1 ZINC000281337898 526227231 /nfs/dbraw/zinc/22/72/31/526227231.db2.gz SKHCVSPZOALXLS-QWRGUYRKSA-N 0 3 267.344 2.825 10 10 CFCEHN CC[C@@H]([NH3+])c1cc(Br)cc(OC)c1[O-] ZINC000095660183 619164928 /nfs/dbraw/zinc/16/49/28/619164928.db2.gz JNSUZFJDSWYZPJ-MRVPVSSYSA-N 0 3 260.131 2.573 10 10 CFCEHN CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000094617801 619164981 /nfs/dbraw/zinc/16/49/81/619164981.db2.gz ZGDXVCASVABOAG-AAEUAGOBSA-N 0 3 266.360 2.666 10 10 CFCEHN Cc1cc([O-])c([C@@H]([NH3+])CF)c(C)c1Br ZINC000238474019 348246535 /nfs/dbraw/zinc/24/65/35/348246535.db2.gz ZRMQEQKXEDHCAQ-ZETCQYMHSA-N 0 3 262.122 2.741 10 10 CFCEHN COc1ccc(C2=NCCCN2c2ccc(N)cc2)cc1 ZINC000011847816 371931366 /nfs/dbraw/zinc/93/13/66/371931366.db2.gz JTYPRZLFVKJBIS-UHFFFAOYSA-N 0 3 281.359 2.934 10 10 CFCEHN Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000180130942 380621644 /nfs/dbraw/zinc/62/16/44/380621644.db2.gz MADKAYRSOQJSKO-INIZCTEOSA-N 0 3 285.391 2.870 10 10 CFCEHN Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000180130942 380621649 /nfs/dbraw/zinc/62/16/49/380621649.db2.gz MADKAYRSOQJSKO-INIZCTEOSA-N 0 3 285.391 2.870 10 10 CFCEHN CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297634826 381567759 /nfs/dbraw/zinc/56/77/59/381567759.db2.gz JNADMNMUNCYYAK-CABCVRRESA-N 0 3 276.424 2.945 10 10 CFCEHN [O-]c1ccccc1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190283212 382660689 /nfs/dbraw/zinc/66/06/89/382660689.db2.gz JYUULGVYJYUVBU-GJZGRUSLSA-N 0 3 289.400 2.662 10 10 CFCEHN [O-]c1ccccc1C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000190283212 382660690 /nfs/dbraw/zinc/66/06/90/382660690.db2.gz JYUULGVYJYUVBU-GJZGRUSLSA-N 0 3 289.400 2.662 10 10 CFCEHN Oc1ccc(CN[C@H]2CCc3ccccc32)cc1O ZINC000020129691 171018034 /nfs/dbraw/zinc/01/80/34/171018034.db2.gz YFIAXGZCGFPWTM-AWEZNQCLSA-N 0 3 255.317 2.875 10 10 CFCEHN CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N(C)C ZINC000020145614 171030758 /nfs/dbraw/zinc/03/07/58/171030758.db2.gz PYVUGHXVRVMIMP-JSGCOSHPSA-N 0 3 250.386 2.629 10 10 CFCEHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000020204125 171069352 /nfs/dbraw/zinc/06/93/52/171069352.db2.gz XUERJYDXLMGRHU-CYBMUJFWSA-N 0 3 259.305 2.858 10 10 CFCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000020207098 171071272 /nfs/dbraw/zinc/07/12/72/171071272.db2.gz JSWAZCLCWIIPLE-ZETOZRRWSA-N 0 3 265.353 2.619 10 10 CFCEHN Cc1cnn(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185843518 262309699 /nfs/dbraw/zinc/30/96/99/262309699.db2.gz JHNWHUSGZJSQHP-CYBMUJFWSA-N 0 3 259.353 2.556 10 10 CFCEHN CC(C)(C)N1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000165028697 518708141 /nfs/dbraw/zinc/70/81/41/518708141.db2.gz GDOWCCPPUQJBSO-UHFFFAOYSA-N 0 3 280.387 2.884 10 10 CFCEHN CC(C)(C)[NH+]1CCC(NCc2cccc(F)c2[O-])CC1 ZINC000165028697 518708145 /nfs/dbraw/zinc/70/81/45/518708145.db2.gz GDOWCCPPUQJBSO-UHFFFAOYSA-N 0 3 280.387 2.884 10 10 CFCEHN Cc1ccc([O-])c(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000071406350 525350458 /nfs/dbraw/zinc/35/04/58/525350458.db2.gz XQCVUULOCOAVAO-AWEZNQCLSA-N 0 3 274.364 2.686 10 10 CFCEHN COc1cccc(CN[C@@H]2COc3ccccc32)c1O ZINC000070070135 526034655 /nfs/dbraw/zinc/03/46/55/526034655.db2.gz VFLQTOKOBNEURP-CYBMUJFWSA-N 0 3 271.316 2.624 10 10 CFCEHN CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000245918595 625010939 /nfs/dbraw/zinc/01/09/39/625010939.db2.gz ZGDXVCASVABOAG-DGCLKSJQSA-N 0 3 266.360 2.666 10 10 CFCEHN Cc1cc(Br)cc([C@@H]2CCC[NH2+]2)c1[O-] ZINC000238531730 348246666 /nfs/dbraw/zinc/24/66/66/348246666.db2.gz LFYAUHRJESDAPO-JTQLQIEISA-N 0 3 256.143 2.888 10 10 CFCEHN [O-]c1c(O)cc2c(c1F)CC[NH2+]C[C@@H]2c1ccccc1 ZINC000026386733 372318491 /nfs/dbraw/zinc/31/84/91/372318491.db2.gz LXZIBTPIJYEOGH-CYBMUJFWSA-N 0 3 273.307 2.515 10 10 CFCEHN COc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000093585805 375270025 /nfs/dbraw/zinc/27/00/25/375270025.db2.gz AWOVAXRUPXRDRI-PBHICJAKSA-N 0 3 291.391 2.528 10 10 CFCEHN COc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000093585805 375270031 /nfs/dbraw/zinc/27/00/31/375270031.db2.gz AWOVAXRUPXRDRI-PBHICJAKSA-N 0 3 291.391 2.528 10 10 CFCEHN Cn1cc([C@H]2CCCN2Cc2cc(F)ccc2O)cn1 ZINC000180074371 380618492 /nfs/dbraw/zinc/61/84/92/380618492.db2.gz GUFNXHZIRFNNMO-CQSZACIVSA-N 0 3 275.327 2.602 10 10 CFCEHN Cc1cc(Cl)cc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1[O-] ZINC000180147647 380625044 /nfs/dbraw/zinc/62/50/44/380625044.db2.gz NQRZGSAHRYIUPU-CQSZACIVSA-N 0 3 280.799 2.634 10 10 CFCEHN Cc1cc(Cl)cc(CN2CC[N@H+]3CCC[C@@H]3C2)c1[O-] ZINC000180147647 380625049 /nfs/dbraw/zinc/62/50/49/380625049.db2.gz NQRZGSAHRYIUPU-CQSZACIVSA-N 0 3 280.799 2.634 10 10 CFCEHN CC(C)OCCC[NH2+][C@H](C)c1cc(O)ccc1[O-] ZINC000020198114 171062048 /nfs/dbraw/zinc/06/20/48/171062048.db2.gz NSOWZAHLDAEHHB-LLVKDONJSA-N 0 3 253.342 2.564 10 10 CFCEHN COc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c([O-])c1 ZINC000038028713 174016954 /nfs/dbraw/zinc/01/69/54/174016954.db2.gz RAHJZNHRAOIVME-KGLIPLIRSA-N 0 3 292.423 2.926 10 10 CFCEHN COc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)c([O-])c1 ZINC000038095960 174110111 /nfs/dbraw/zinc/11/01/11/174110111.db2.gz QMBGUXLQQWNHKC-RYUDHWBXSA-N 0 3 265.353 2.621 10 10 CFCEHN C[C@@H](c1cc(O)ccc1O)N1CCc2c(N)cccc2C1 ZINC000038032450 274275989 /nfs/dbraw/zinc/27/59/89/274275989.db2.gz QSBHFERXDXPAFL-NSHDSACASA-N 0 3 284.359 2.799 10 10 CFCEHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2CCCO2)c1[O-] ZINC000228671080 522541879 /nfs/dbraw/zinc/54/18/79/522541879.db2.gz DJJGRQJBUPDBNI-BXKDBHETSA-N 0 3 285.771 2.711 10 10 CFCEHN Cc1ccc([O-])c(C[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000071406351 525350660 /nfs/dbraw/zinc/35/06/60/525350660.db2.gz XQCVUULOCOAVAO-CQSZACIVSA-N 0 3 274.364 2.686 10 10 CFCEHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)c([O-])c1 ZINC000273359537 525732122 /nfs/dbraw/zinc/73/21/22/525732122.db2.gz AFALEOOXLVRLJU-RISCZKNCSA-N 0 3 251.370 2.758 10 10 CFCEHN Cc1ccc([C@H](C)NCc2cc3c(cc2O)OCO3)o1 ZINC000042879872 525927456 /nfs/dbraw/zinc/92/74/56/525927456.db2.gz JIGPVUVNDXDKIE-JTQLQIEISA-N 0 3 275.304 2.873 10 10 CFCEHN CC[C@H]([NH3+])c1cc(Br)cc(OC)c1[O-] ZINC000095673401 619165355 /nfs/dbraw/zinc/16/53/55/619165355.db2.gz JNSUZFJDSWYZPJ-QMMMGPOBSA-N 0 3 260.131 2.573 10 10 CFCEHN CCC[C@@H]([NH3+])c1cc(Br)cc(OC)c1[O-] ZINC000095779715 619167814 /nfs/dbraw/zinc/16/78/14/619167814.db2.gz VIRJTSFTAIIGLQ-SECBINFHSA-N 0 3 274.158 2.963 10 10 CFCEHN CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000249615219 650964609 /nfs/dbraw/zinc/96/46/09/650964609.db2.gz WSAZNLFKKRHREV-ZIAGYGMSSA-N 0 3 262.397 2.836 10 10 CFCEHN CCc1nccn1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179572702 380558900 /nfs/dbraw/zinc/55/89/00/380558900.db2.gz AVHKPOWXKHNVFQ-HNNXBMFYSA-N 0 3 285.391 2.988 10 10 CFCEHN CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179572702 380558904 /nfs/dbraw/zinc/55/89/04/380558904.db2.gz AVHKPOWXKHNVFQ-HNNXBMFYSA-N 0 3 285.391 2.988 10 10 CFCEHN COc1ccc(O)c(CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000180262774 380640318 /nfs/dbraw/zinc/64/03/18/380640318.db2.gz RSECCCCCNOLDDX-OAHLLOKOSA-N 0 3 287.363 2.851 10 10 CFCEHN [O-]c1ccc(F)cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000180040002 380613694 /nfs/dbraw/zinc/61/36/94/380613694.db2.gz CPINRFJMOLEEHH-UHFFFAOYSA-N 0 3 275.327 2.634 10 10 CFCEHN Cc1cccc(C[NH+]2CCC(Nc3cccnn3)CC2)c1[O-] ZINC000180079532 380617648 /nfs/dbraw/zinc/61/76/48/380617648.db2.gz PFNGUYWFJHQANC-UHFFFAOYSA-N 0 3 298.390 2.567 10 10 CFCEHN CC(C)N1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])[C@@H](C)C1 ZINC000186101869 381823036 /nfs/dbraw/zinc/82/30/36/381823036.db2.gz MWGRAKQFRWRWJN-HUBLWGQQSA-N 0 3 280.387 2.911 10 10 CFCEHN CC[C@@H](c1cc(Br)ccc1[O-])N1CC[NH2+]CC1 ZINC000038086709 174097710 /nfs/dbraw/zinc/09/77/10/174097710.db2.gz KQXJXSAUHMVUGU-LBPRGKRZSA-N 0 3 299.212 2.511 10 10 CFCEHN COc1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)c([O-])c1 ZINC000038095962 174110078 /nfs/dbraw/zinc/11/00/78/174110078.db2.gz QMBGUXLQQWNHKC-NWDGAFQWSA-N 0 3 265.353 2.621 10 10 CFCEHN C[C@@H](c1ccc(O)cc1[O-])[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032501 274276935 /nfs/dbraw/zinc/27/69/35/274276935.db2.gz VYJJHSGBDUSRTG-NSHDSACASA-N 0 3 284.359 2.799 10 10 CFCEHN C[C@@H](c1ccc(O)cc1[O-])[N@H+]1CCc2c(N)cccc2C1 ZINC000038032501 274276936 /nfs/dbraw/zinc/27/69/36/274276936.db2.gz VYJJHSGBDUSRTG-NSHDSACASA-N 0 3 284.359 2.799 10 10 CFCEHN CCCN(C)c1ccc(CNCCOC)c(C)c1 ZINC000062735309 521520507 /nfs/dbraw/zinc/52/05/07/521520507.db2.gz ROFYNLJTENTDAH-UHFFFAOYSA-N 0 3 250.386 2.577 10 10 CFCEHN CCN1CC[C@H](C[NH2+]Cc2c([O-])ccc3ccccc32)C1 ZINC000037644061 521717311 /nfs/dbraw/zinc/71/73/11/521717311.db2.gz UAIPZORXMNLEDT-CQSZACIVSA-N 0 3 284.403 2.977 10 10 CFCEHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1[O-] ZINC000229054018 522539904 /nfs/dbraw/zinc/53/99/04/522539904.db2.gz RBXVTCFBAHDCMZ-CHWSQXEVSA-N 0 3 299.798 2.837 10 10 CFCEHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000085972905 525922023 /nfs/dbraw/zinc/92/20/23/525922023.db2.gz QXQUJISCGIZCNG-YDHLFZDLSA-N 0 3 263.381 2.902 10 10 CFCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)c([O-])c1 ZINC000185507613 525945649 /nfs/dbraw/zinc/94/56/49/525945649.db2.gz IXDPHZYUZYBRQI-GUTXKFCHSA-N 0 3 263.381 2.902 10 10 CFCEHN COc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000245687394 525952256 /nfs/dbraw/zinc/95/22/56/525952256.db2.gz AWOVAXRUPXRDRI-WMLDXEAASA-N 0 3 291.391 2.528 10 10 CFCEHN COc1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000245687394 525952263 /nfs/dbraw/zinc/95/22/63/525952263.db2.gz AWOVAXRUPXRDRI-WMLDXEAASA-N 0 3 291.391 2.528 10 10 CFCEHN Fc1cc(CNC2CC2)cc(F)c1N1CCSCC1 ZINC000062709927 526296452 /nfs/dbraw/zinc/29/64/52/526296452.db2.gz JNDVOTPBOWPOFY-UHFFFAOYSA-N 0 3 284.375 2.770 10 10 CFCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245909864 526348220 /nfs/dbraw/zinc/34/82/20/526348220.db2.gz FSPCDAKWMVGWDJ-BBRMVZONSA-N 0 3 279.355 2.658 10 10 CFCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245909864 526348222 /nfs/dbraw/zinc/34/82/22/526348222.db2.gz FSPCDAKWMVGWDJ-BBRMVZONSA-N 0 3 279.355 2.658 10 10 CFCEHN [O-]c1ccc2ccccc2c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000156684342 526355968 /nfs/dbraw/zinc/35/59/68/526355968.db2.gz QTKNTKBPQWUOOD-VMGRFDJRSA-N 0 3 269.344 2.955 10 10 CFCEHN [O-]c1cc(O)ccc1C[NH2+]CCOC1CCCCC1 ZINC000104447268 186005290 /nfs/dbraw/zinc/00/52/90/186005290.db2.gz VVWCMGQLZVJWOF-UHFFFAOYSA-N 0 3 265.353 2.537 10 10 CFCEHN Cc1cccc(C[NH2+][C@H](CC(C)C)CN(C)C)c1[O-] ZINC000124800792 377090078 /nfs/dbraw/zinc/09/00/78/377090078.db2.gz NAZLFLVTDAXTTF-OAHLLOKOSA-N 0 3 264.413 2.767 10 10 CFCEHN CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000186101851 381822723 /nfs/dbraw/zinc/82/27/23/381822723.db2.gz MWGRAKQFRWRWJN-XUJVJEKNSA-N 0 3 280.387 2.911 10 10 CFCEHN COc1ccc([O-])c(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000281311024 385189071 /nfs/dbraw/zinc/18/90/71/385189071.db2.gz QJWUVDCBTYPRLA-VXGBXAGGSA-N 0 3 279.380 2.694 10 10 CFCEHN C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1[O-])c1cccnc1 ZINC000020127617 171012667 /nfs/dbraw/zinc/01/26/67/171012667.db2.gz YCSPHRVHNLKWGI-MNOVXSKESA-N 0 3 258.321 2.905 10 10 CFCEHN CC(C)OCCC[NH2+][C@H](C)c1ccc(O)cc1[O-] ZINC000020198054 171061892 /nfs/dbraw/zinc/06/18/92/171061892.db2.gz QWGOLYORUVAKJT-LLVKDONJSA-N 0 3 253.342 2.564 10 10 CFCEHN CCN1CCC[C@H](Nc2c(N)cccc2Cl)C1 ZINC000049193379 521649485 /nfs/dbraw/zinc/64/94/85/521649485.db2.gz NEQTVVOYFFFCAY-JTQLQIEISA-N 0 3 253.777 2.818 10 10 CFCEHN Cc1cccc(C[N@H+]2C[C@H]3CCCCN3C[C@H]2C)c1[O-] ZINC000228177395 524409887 /nfs/dbraw/zinc/40/98/87/524409887.db2.gz NCFFDXXULYWNOM-GDBMZVCRSA-N 0 3 274.408 2.759 10 10 CFCEHN Cc1cccc(C[N@@H+]2C[C@H]3CCCCN3C[C@H]2C)c1[O-] ZINC000228177395 524409893 /nfs/dbraw/zinc/40/98/93/524409893.db2.gz NCFFDXXULYWNOM-GDBMZVCRSA-N 0 3 274.408 2.759 10 10 CFCEHN Cc1ccc([O-])c(C[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000071407976 525355046 /nfs/dbraw/zinc/35/50/46/525355046.db2.gz QVTOTXVQRPWIRB-OAHLLOKOSA-N 0 3 264.413 2.767 10 10 CFCEHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCc3ccccc31)OCO2 ZINC000042879465 526336277 /nfs/dbraw/zinc/33/62/77/526336277.db2.gz HOGNKKSNGVFDHP-AWEZNQCLSA-N 0 3 283.327 2.898 10 10 CFCEHN COc1cc(Br)cc([C@H]([NH3+])C2CC2)c1[O-] ZINC000095660192 619164996 /nfs/dbraw/zinc/16/49/96/619164996.db2.gz AJVZJBRNQXPKOL-SNVBAGLBSA-N 0 3 272.142 2.573 10 10 CFCEHN Nc1ccc(Br)c([C@@H]2CCCC[NH2+]2)c1[O-] ZINC000308773853 348405408 /nfs/dbraw/zinc/40/54/08/348405408.db2.gz YNRVKOGWRNVOND-VIFPVBQESA-N 0 3 271.158 2.552 10 10 CFCEHN CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183616869 381294753 /nfs/dbraw/zinc/29/47/53/381294753.db2.gz JKHRJHPVJSTXSL-IPYPFGDCSA-N 0 3 262.397 2.772 10 10 CFCEHN CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297634831 381566830 /nfs/dbraw/zinc/56/68/30/381566830.db2.gz JNADMNMUNCYYAK-HUUCEWRRSA-N 0 3 276.424 2.945 10 10 CFCEHN COc1ccc([O-])c(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000281311020 385189667 /nfs/dbraw/zinc/18/96/67/385189667.db2.gz QJWUVDCBTYPRLA-RYUDHWBXSA-N 0 3 279.380 2.694 10 10 CFCEHN CCCCN1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000165017318 520577557 /nfs/dbraw/zinc/57/75/57/520577557.db2.gz VMRVWKPKGMAFLO-UHFFFAOYSA-N 0 3 280.387 2.885 10 10 CFCEHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1[O-] ZINC000228671070 522539561 /nfs/dbraw/zinc/53/95/61/522539561.db2.gz DJJGRQJBUPDBNI-JOYOIKCWSA-N 0 3 285.771 2.711 10 10 CFCEHN C[C@@H]1CCCCN1CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000164928376 524104856 /nfs/dbraw/zinc/10/48/56/524104856.db2.gz AKKMRBSTWBPZRH-CYBMUJFWSA-N 0 3 280.387 2.885 10 10 CFCEHN C[C@@H]1CCCC[N@@H+]1CCCNCc1cccc(F)c1[O-] ZINC000164928376 524104860 /nfs/dbraw/zinc/10/48/60/524104860.db2.gz AKKMRBSTWBPZRH-CYBMUJFWSA-N 0 3 280.387 2.885 10 10 CFCEHN C[C@@H]1CCCC[N@H+]1CCCNCc1cccc(F)c1[O-] ZINC000164928376 524104864 /nfs/dbraw/zinc/10/48/64/524104864.db2.gz AKKMRBSTWBPZRH-CYBMUJFWSA-N 0 3 280.387 2.885 10 10 CFCEHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000273609592 525359841 /nfs/dbraw/zinc/35/98/41/525359841.db2.gz VHSWNXUTZUURAY-BXUZGUMPSA-N 0 3 251.370 2.758 10 10 CFCEHN COc1cc(Br)cc([C@@H]([NH3+])C2CC2)c1[O-] ZINC000095673410 619165321 /nfs/dbraw/zinc/16/53/21/619165321.db2.gz AJVZJBRNQXPKOL-JTQLQIEISA-N 0 3 272.142 2.573 10 10 CFCEHN CCCCOCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000083385381 178393896 /nfs/dbraw/zinc/39/38/96/178393896.db2.gz SVZMUYISBZWSTC-UHFFFAOYSA-N 0 3 251.370 2.997 10 10 CFCEHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1N(C)C ZINC000147943069 378253240 /nfs/dbraw/zinc/25/32/40/378253240.db2.gz HJPJXSRDNBLFNK-GUYCJALGSA-N 0 3 284.403 2.927 10 10 CFCEHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1N(C)C ZINC000147943069 378253245 /nfs/dbraw/zinc/25/32/45/378253245.db2.gz HJPJXSRDNBLFNK-GUYCJALGSA-N 0 3 284.403 2.927 10 10 CFCEHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1N(C)C ZINC000147942888 378253306 /nfs/dbraw/zinc/25/33/06/378253306.db2.gz HJPJXSRDNBLFNK-DYVFJYSZSA-N 0 3 284.403 2.927 10 10 CFCEHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1N(C)C ZINC000147942888 378253307 /nfs/dbraw/zinc/25/33/07/378253307.db2.gz HJPJXSRDNBLFNK-DYVFJYSZSA-N 0 3 284.403 2.927 10 10 CFCEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1[O-] ZINC000179202254 380519418 /nfs/dbraw/zinc/51/94/18/380519418.db2.gz NIIPJYOZHMBWKD-SNPRPXQTSA-N 0 3 289.375 2.698 10 10 CFCEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1[O-] ZINC000179202254 380519426 /nfs/dbraw/zinc/51/94/26/380519426.db2.gz NIIPJYOZHMBWKD-SNPRPXQTSA-N 0 3 289.375 2.698 10 10 CFCEHN Cc1ccc([O-])c(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000282290903 385273320 /nfs/dbraw/zinc/27/33/20/385273320.db2.gz RCYRSJHWSJCWKW-CHWSQXEVSA-N 0 3 263.381 2.994 10 10 CFCEHN C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1[O-])c1ccncc1 ZINC000020121263 171000625 /nfs/dbraw/zinc/00/06/25/171000625.db2.gz LPIFARRHWKWHEE-QWRGUYRKSA-N 0 3 258.321 2.905 10 10 CFCEHN CCCC(=O)Nc1ccc([O-])c([C@@H](C)[NH2+]C2CC2)c1 ZINC000021957157 171341971 /nfs/dbraw/zinc/34/19/71/171341971.db2.gz NPCBEOQNIOMEEK-SNVBAGLBSA-N 0 3 262.353 2.944 10 10 CFCEHN CCCN(CCC)[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000022156179 171362422 /nfs/dbraw/zinc/36/24/22/171362422.db2.gz SWEGPAKSEHLQSU-GFCCVEGCSA-N 0 3 263.385 2.718 10 10 CFCEHN CCN(CC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000022176458 171370784 /nfs/dbraw/zinc/37/07/84/171370784.db2.gz WPGLMWDMPBJYBG-UHFFFAOYSA-N 0 3 275.396 2.862 10 10 CFCEHN Cc1ccc([O-])c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCOC1 ZINC000037738237 173658489 /nfs/dbraw/zinc/65/84/89/173658489.db2.gz SSBJPKVXPROCLF-FRRDWIJNSA-N 0 3 261.365 2.875 10 10 CFCEHN C[C@@H](C[NH2+][C@@H](C)c1cc(O)ccc1[O-])N1CCCCC1 ZINC000038028426 174016984 /nfs/dbraw/zinc/01/69/84/174016984.db2.gz WKXOJOVXMBIBJZ-STQMWFEESA-N 0 3 278.396 2.623 10 10 CFCEHN COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)c([O-])c1 ZINC000038028714 174017698 /nfs/dbraw/zinc/01/76/98/174017698.db2.gz RAHJZNHRAOIVME-UONOGXRCSA-N 0 3 292.423 2.926 10 10 CFCEHN C[C@H](C[NH2+][C@@H](C)c1ccc(O)cc1[O-])N1CCCCC1 ZINC000038028557 174017790 /nfs/dbraw/zinc/01/77/90/174017790.db2.gz DTKLTVSWRDSXKD-OLZOCXBDSA-N 0 3 278.396 2.623 10 10 CFCEHN Cc1ccc([O-])c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](C)N(C)C ZINC000038088315 174101701 /nfs/dbraw/zinc/10/17/01/174101701.db2.gz GJTSYEHOEYDXCN-JHJVBQTASA-N 0 3 262.397 2.789 10 10 CFCEHN