smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001183780855 743909423 /nfs/dbraw/zinc/90/94/23/743909423.db2.gz ZDROGHPBDLVHIW-CYBMUJFWSA-N 0 1 310.781 1.430 20 10 DDCDMN COc1cc(C(=O)NC2CN(CC3CCCC3)C2)cc(OC)n1 ZINC001030612359 744325045 /nfs/dbraw/zinc/32/50/45/744325045.db2.gz MENVPKLOHGCGQA-UHFFFAOYSA-N 0 1 319.405 1.703 20 10 DDCDMN Cn1ccc(CNC(=O)c2cc(O)c(O)c(Cl)c2)cc1=O ZINC001193626235 746153784 /nfs/dbraw/zinc/15/37/84/746153784.db2.gz SSWARSIYLUIOAY-UHFFFAOYSA-N 0 1 308.721 1.380 20 10 DDCDMN CN1CCN(c2ccc(C[NH2+][C@@H](CC(=O)[O-])C3CC3)cc2)CC1 ZINC001116762735 780554381 /nfs/dbraw/zinc/55/43/81/780554381.db2.gz GTTFZQBPNOPUGT-KRWDZBQOSA-N 0 1 317.433 1.781 20 10 DDCDMN CCc1nncn1CCNCc1cc(F)c(N(C)C)cc1F ZINC001118799741 781241843 /nfs/dbraw/zinc/24/18/43/781241843.db2.gz VWKSBQWNGFALCP-UHFFFAOYSA-N 0 1 309.364 1.975 20 10 DDCDMN CC(C)NC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1ccc(O)c(O)c1 ZINC001275821541 853818692 /nfs/dbraw/zinc/81/86/92/853818692.db2.gz SUFBSUZMZWXBSH-KBPBESRZSA-N 0 1 319.405 1.864 20 10 DDCDMN CN1CCO[C@@]2(CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3O)C2)C1 ZINC001276009498 854148838 /nfs/dbraw/zinc/14/88/38/854148838.db2.gz WLEAOLRAJSQOTK-KRWDZBQOSA-N 0 1 320.389 1.387 20 10 DDCDMN CCN(CC)c1ccc(CN2C[C@H]3CN(C)C[C@@H](C2)O3)c(O)c1 ZINC001276133333 854811785 /nfs/dbraw/zinc/81/17/85/854811785.db2.gz TWQPUKVPPJJQBR-CALCHBBNSA-N 0 1 319.449 1.753 20 10 DDCDMN CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686877 860451183 /nfs/dbraw/zinc/45/11/83/860451183.db2.gz HRUVTBROAKHKFT-SNVBAGLBSA-N 0 1 313.348 1.906 20 10 DDCDMN CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686877 860451187 /nfs/dbraw/zinc/45/11/87/860451187.db2.gz HRUVTBROAKHKFT-SNVBAGLBSA-N 0 1 313.348 1.906 20 10 DDCDMN O=C1[C@H]2C[N@@H+](Cc3c([O-])cc(F)cc3F)C[C@H]2CN1CC1CC1 ZINC001140581609 860657365 /nfs/dbraw/zinc/65/73/65/860657365.db2.gz VGMHOSDXNBRYIK-AAEUAGOBSA-N 0 1 322.355 1.971 20 10 DDCDMN COC[C@H]1CN(Cc2ccc(O)c(C)c2O)Cc2cn(C)nc21 ZINC001140744620 860690396 /nfs/dbraw/zinc/69/03/96/860690396.db2.gz DRQYMQULYJTDHT-CQSZACIVSA-N 0 1 317.389 1.886 20 10 DDCDMN CN1CCN(c2ccc(C[NH2+][C@@H](CCF)C(=O)[O-])cc2)CC1 ZINC001328996564 863407368 /nfs/dbraw/zinc/40/73/68/863407368.db2.gz AZKMUEDYDQITGD-HNNXBMFYSA-N 0 1 309.385 1.341 20 10 DDCDMN COc1ccc(N(C)CCN(C)C[C@H]2CN(C)C(=O)O2)cc1 ZINC001346128020 873618298 /nfs/dbraw/zinc/61/82/98/873618298.db2.gz SRQXNMKCQFUJOM-HNNXBMFYSA-N 0 1 307.394 1.514 20 10 DDCDMN CC(C)(C)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC001348559935 874633530 /nfs/dbraw/zinc/63/35/30/874633530.db2.gz ABSICPPRMLATRN-UHFFFAOYSA-N 0 1 304.438 1.937 20 10 DDCDMN O=C([O-])C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001353896263 877635772 /nfs/dbraw/zinc/63/57/72/877635772.db2.gz CJGDCGCFPBLPAL-MRXNPFEDSA-N 0 1 320.389 1.199 20 10 DDCDMN O=C([O-])C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC001353896263 877635778 /nfs/dbraw/zinc/63/57/78/877635778.db2.gz CJGDCGCFPBLPAL-MRXNPFEDSA-N 0 1 320.389 1.199 20 10 DDCDMN CN(C)C(=O)C[C@H]1C[C@@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@@H]2O1 ZINC001277490012 885273240 /nfs/dbraw/zinc/27/32/40/885273240.db2.gz ZKSBFCXQEUCIIC-HSMVNMDESA-N 0 1 322.380 1.599 20 10 DDCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC001231565433 885736172 /nfs/dbraw/zinc/73/61/72/885736172.db2.gz WDVJIKJVWAYVJX-CYBMUJFWSA-N 0 1 302.334 1.519 20 10 DDCDMN C[C@@]1(CO)C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC[C@@H]1O ZINC001233452416 886999138 /nfs/dbraw/zinc/99/91/38/886999138.db2.gz VQGLLKJWFKKWLV-KBPBESRZSA-N 0 1 319.323 1.976 20 10 DDCDMN C[C@@]1(CO)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC[C@@H]1O ZINC001233452416 886999158 /nfs/dbraw/zinc/99/91/58/886999158.db2.gz VQGLLKJWFKKWLV-KBPBESRZSA-N 0 1 319.323 1.976 20 10 DDCDMN [O-]c1cc(Cl)c(Cl)cc1CN1CCN2CC[NH2+]C[C@@H]2C1 ZINC001234976692 888287665 /nfs/dbraw/zinc/28/76/65/888287665.db2.gz DJRZWGSOKGJVGY-LLVKDONJSA-N 0 1 316.232 1.788 20 10 DDCDMN COc1cc(O)c(CN2CC(N(C)[C@@H]3CCOC3)C2)cc1OC ZINC001236751435 889332119 /nfs/dbraw/zinc/33/21/19/889332119.db2.gz DBJYQEFGSQYOMA-CYBMUJFWSA-N 0 1 322.405 1.314 20 10 DDCDMN COc1cc([O-])c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c(Cl)c1 ZINC001236800224 889358703 /nfs/dbraw/zinc/35/87/03/889358703.db2.gz XCHMQJHZIQCMFK-YMTOWFKASA-N 0 1 301.770 1.229 20 10 DDCDMN COc1cc([O-])c(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c(Cl)c1 ZINC001236800224 889358719 /nfs/dbraw/zinc/35/87/19/889358719.db2.gz XCHMQJHZIQCMFK-YMTOWFKASA-N 0 1 301.770 1.229 20 10 DDCDMN COc1cc(O)c(CN2CC[C@H](CO)[C@H](O)C2)c(Cl)c1 ZINC001236800224 889358727 /nfs/dbraw/zinc/35/87/27/889358727.db2.gz XCHMQJHZIQCMFK-YMTOWFKASA-N 0 1 301.770 1.229 20 10 DDCDMN CN1CCN(c2ccc(CN3CCCC34COC4)c(F)c2)CC1 ZINC001236935272 889430601 /nfs/dbraw/zinc/43/06/01/889430601.db2.gz GGZNSEJZSHWLGI-UHFFFAOYSA-N 0 1 319.424 1.942 20 10 DDCDMN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001237808985 889863757 /nfs/dbraw/zinc/86/37/57/889863757.db2.gz XTTGMVKUGAKHGR-LBPRGKRZSA-N 0 1 300.761 1.701 20 10 DDCDMN [O-]c1c(Cl)cc(F)cc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001237808985 889863766 /nfs/dbraw/zinc/86/37/66/889863766.db2.gz XTTGMVKUGAKHGR-LBPRGKRZSA-N 0 1 300.761 1.701 20 10 DDCDMN Cc1cc(F)cc(CN2CCN(c3cncnc3)CC2)c1O ZINC001238071123 890015528 /nfs/dbraw/zinc/01/55/28/890015528.db2.gz SAXLOWMMSFTCPM-UHFFFAOYSA-N 0 1 302.353 1.952 20 10 DDCDMN COC(=O)Cc1ccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC001249208171 893866375 /nfs/dbraw/zinc/86/63/75/893866375.db2.gz OGYTXMQEBBQCRP-DZGCQCFKSA-N 0 1 304.390 1.244 20 10 DDCDMN COC(=O)Cc1ccc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c(O)c1 ZINC001249208171 893866392 /nfs/dbraw/zinc/86/63/92/893866392.db2.gz OGYTXMQEBBQCRP-DZGCQCFKSA-N 0 1 304.390 1.244 20 10 DDCDMN CCN(CC)c1ccc(CN2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000091865513 193120257 /nfs/dbraw/zinc/12/02/57/193120257.db2.gz NPRGSVSDMWHPIB-INIZCTEOSA-N 0 1 302.422 1.742 20 10 DDCDMN Oc1cc2c(cc1CN1CC[C@@](O)(C(F)(F)F)C1)OCO2 ZINC000093612158 193273646 /nfs/dbraw/zinc/27/36/46/193273646.db2.gz JNYZEEGIZODMCW-LBPRGKRZSA-N 0 1 305.252 1.620 20 10 DDCDMN C[C@H](NCc1cnnn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000287250417 131271031 /nfs/dbraw/zinc/27/10/31/131271031.db2.gz HVYGPHJMSOXEMR-LBPRGKRZSA-N 0 1 319.384 1.642 20 10 DDCDMN CCN1CCN(c2ccc(CNS(C)(=O)=O)cc2F)CC1 ZINC000106896022 407365777 /nfs/dbraw/zinc/36/57/77/407365777.db2.gz FDOJQLPKWMHXRI-UHFFFAOYSA-N 0 1 315.414 1.017 20 10 DDCDMN COc1c([O-])c(CN2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000278265522 409078090 /nfs/dbraw/zinc/07/80/90/409078090.db2.gz RARJZSOXMVWAFG-UHFFFAOYSA-N 0 1 321.377 1.979 20 10 DDCDMN COc1cc(O)c(CN2C[C@H](C)O[C@]3(CCOC3)C2)cc1OC ZINC000280211555 409270303 /nfs/dbraw/zinc/27/03/03/409270303.db2.gz IPMRURXNUDLKCB-YVEFUNNKSA-N 0 1 323.389 1.789 20 10 DDCDMN O=C(c1c([O-])c(O)ccc1F)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000295243350 409393613 /nfs/dbraw/zinc/39/36/13/409393613.db2.gz LXCUTCQHSVSJAE-NSHDSACASA-N 0 1 308.353 1.937 20 10 DDCDMN COC1CCN(c2ccc(CN3CCNC(=O)CC3)cc2)CC1 ZINC000296963299 409727947 /nfs/dbraw/zinc/72/79/47/409727947.db2.gz CROVYEVRPIFHPA-UHFFFAOYSA-N 0 1 317.433 1.624 20 10 DDCDMN COC(=O)[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H](C)O1 ZINC000191445223 222101921 /nfs/dbraw/zinc/10/19/21/222101921.db2.gz CUAMFHAEWSOAEW-PRHODGIISA-N 0 1 317.744 1.947 20 10 DDCDMN C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226651729 222205657 /nfs/dbraw/zinc/20/56/57/222205657.db2.gz WWCPVTCMURVAHI-QMMMGPOBSA-N 0 1 322.224 1.677 20 10 DDCDMN O=C1NC(=O)[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]12 ZINC000367780949 418634215 /nfs/dbraw/zinc/63/42/15/418634215.db2.gz RKVYSJZXQBZAKH-HIFRSBDPSA-N 0 1 310.353 1.640 20 10 DDCDMN NC(=O)C[C@H]1CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000368135823 418693951 /nfs/dbraw/zinc/69/39/51/418693951.db2.gz RSTQTXMGLHVODX-SECBINFHSA-N 0 1 313.195 1.852 20 10 DDCDMN NC(=O)C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000368135823 418693952 /nfs/dbraw/zinc/69/39/52/418693952.db2.gz RSTQTXMGLHVODX-SECBINFHSA-N 0 1 313.195 1.852 20 10 DDCDMN CN1C(=O)[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCN2C1=O ZINC000378440554 418723025 /nfs/dbraw/zinc/72/30/25/418723025.db2.gz BXEABAMNWKNDLA-NSHDSACASA-N 0 1 309.753 1.124 20 10 DDCDMN COc1ccc(N2CCN(C[C@@H](O)CSC)CC2)cc1F ZINC000187938018 524426547 /nfs/dbraw/zinc/42/65/47/524426547.db2.gz GBQAHGQRTDJSFG-CYBMUJFWSA-N 0 1 314.426 1.680 20 10 DDCDMN COc1ccc(O)c(CN2CCCN(C(=O)C3CC3)CC2)c1 ZINC000188700501 524739026 /nfs/dbraw/zinc/73/90/26/524739026.db2.gz NBHMJOSYLFZHEZ-UHFFFAOYSA-N 0 1 304.390 1.845 20 10 DDCDMN O=C([O-])[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000821510677 598132845 /nfs/dbraw/zinc/13/28/45/598132845.db2.gz XVYUZDKAAFFBIZ-MRXNPFEDSA-N 0 1 304.390 1.962 20 10 DDCDMN CCN1CCN(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000088360175 696569899 /nfs/dbraw/zinc/56/98/99/696569899.db2.gz XZSRVJXZEUPINB-ZDUSSCGKSA-N 0 1 321.421 1.216 20 10 DDCDMN Cc1cc(Br)cc(CN(C)[C@@H]2CCNC2=O)c1O ZINC000775745496 698028929 /nfs/dbraw/zinc/02/89/29/698028929.db2.gz WSTOKMVISBGOHY-LLVKDONJSA-N 0 1 313.195 1.783 20 10 DDCDMN CNS(=O)(=O)C[C@H]1CCCN1Cc1cc(F)ccc1O ZINC000779030067 698391516 /nfs/dbraw/zinc/39/15/16/698391516.db2.gz LCBFQLDCUIUCMU-GFCCVEGCSA-N 0 1 302.371 1.045 20 10 DDCDMN CCOC(=O)c1cnn2c1[nH]c(CN1[C@H](C)C[C@H]1C)cc2=O ZINC000791578222 699641931 /nfs/dbraw/zinc/64/19/31/699641931.db2.gz RGOOPWBYFOFJBU-NXEZZACHSA-N 0 1 304.350 1.594 20 10 DDCDMN COc1cc(C)cc(CN2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000793698553 699773037 /nfs/dbraw/zinc/77/30/37/699773037.db2.gz NOMYMQRPCNJGSU-GFCCVEGCSA-N 0 1 313.419 1.576 20 10 DDCDMN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H](C2CC2)O1 ZINC000794653001 699821663 /nfs/dbraw/zinc/82/16/63/699821663.db2.gz KOZUJYMVTZWODS-FNDUUJAJSA-N 0 1 305.374 1.817 20 10 DDCDMN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cn[nH]c1 ZINC000763140993 700926997 /nfs/dbraw/zinc/92/69/97/700926997.db2.gz KWMPYXNPBBNVDA-CYBMUJFWSA-N 0 1 315.421 1.785 20 10 DDCDMN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000763280620 700932859 /nfs/dbraw/zinc/93/28/59/700932859.db2.gz SHAMGUDTAGEIBU-ZYHUDNBSSA-N 0 1 315.373 1.988 20 10 DDCDMN CC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768307289 701168070 /nfs/dbraw/zinc/16/80/70/701168070.db2.gz IUJRWDXHKOQTBN-UHFFFAOYSA-N 0 1 315.757 1.864 20 10 DDCDMN CC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768307289 701168073 /nfs/dbraw/zinc/16/80/73/701168073.db2.gz IUJRWDXHKOQTBN-UHFFFAOYSA-N 0 1 315.757 1.864 20 10 DDCDMN COc1ccc(N2CCC(NCc3cnn(C)n3)CC2)cc1 ZINC000806167442 701428564 /nfs/dbraw/zinc/42/85/64/701428564.db2.gz WFBOVMZDNYSKRO-UHFFFAOYSA-N 0 1 301.394 1.582 20 10 DDCDMN O=C1N[C@@H](c2cc(Cl)c(F)cc2O)N2CCSC[C@H]12 ZINC000840821316 702249403 /nfs/dbraw/zinc/24/94/03/702249403.db2.gz WCUGYFFWIGXFSG-MWLCHTKSSA-N 0 1 302.758 1.731 20 10 DDCDMN C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc(Br)ccc1[O-] ZINC000840832382 702253924 /nfs/dbraw/zinc/25/39/24/702253924.db2.gz CEXWTHHFMIWJQF-DTWKUNHWSA-N 0 1 313.195 1.941 20 10 DDCDMN CCOc1ccc(CN2CC[C@@H](CS(C)(=O)=O)C2)c(O)c1 ZINC000814174481 702491456 /nfs/dbraw/zinc/49/14/56/702491456.db2.gz CZTQJCQNVMQGBG-GFCCVEGCSA-N 0 1 313.419 1.657 20 10 DDCDMN O=C1CNCCN1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843066033 702812166 /nfs/dbraw/zinc/81/21/66/702812166.db2.gz RIRJAZPUXMJCEJ-ZDUSSCGKSA-N 0 1 323.824 1.442 20 10 DDCDMN CC(=O)NCCN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000843428156 702879483 /nfs/dbraw/zinc/87/94/83/702879483.db2.gz PLBANZLAMDKYLB-UHFFFAOYSA-N 0 1 309.385 1.230 20 10 DDCDMN COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843433752 702880975 /nfs/dbraw/zinc/88/09/75/702880975.db2.gz JNTCCEHIRIWWAJ-BDAKNGLRSA-N 0 1 317.744 1.541 20 10 DDCDMN COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843434526 702881461 /nfs/dbraw/zinc/88/14/61/702881461.db2.gz ZHLVVKGKUAPFEU-ZJUUUORDSA-N 0 1 317.744 1.541 20 10 DDCDMN 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CN(Cc1cc(Cl)ccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000769468566 701246472 /nfs/dbraw/zinc/24/64/72/701246472.db2.gz LFWGURKWEDVETM-SNVBAGLBSA-N 0 1 303.811 1.912 20 10 DDCDMN C[C@@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccc1O ZINC000868217711 702005574 /nfs/dbraw/zinc/00/55/74/702005574.db2.gz VDMMSFDLRKPYBZ-HZSPNIEDSA-N 0 1 319.405 1.616 20 10 DDCDMN CC[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1cc(Cl)ccc1[O-] ZINC000840805499 702244550 /nfs/dbraw/zinc/24/45/50/702244550.db2.gz QCSPOSORELJGQD-AAEUAGOBSA-N 0 1 310.785 1.739 20 10 DDCDMN O=C1N[C@H](c2cc(Cl)c(F)cc2O)N2CCSC[C@@H]12 ZINC000840821319 702249370 /nfs/dbraw/zinc/24/93/70/702249370.db2.gz WCUGYFFWIGXFSG-ONGXEEELSA-N 0 1 302.758 1.731 20 10 DDCDMN Cc1cc(N(C)C)ccc1CN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000840916720 702278941 /nfs/dbraw/zinc/27/89/41/702278941.db2.gz DNNKWMFVUPTDDP-AWEZNQCLSA-N 0 1 310.463 1.928 20 10 DDCDMN Cc1cc(O)c(CN2CCC[C@]3(C2)NC(=O)NC3=O)c(Cl)c1 ZINC000840941107 702287993 /nfs/dbraw/zinc/28/79/93/702287993.db2.gz SBZVPAABTZFJRJ-OAHLLOKOSA-N 0 1 323.780 1.528 20 10 DDCDMN COc1c([O-])c(C[NH2+][C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000840975620 702299449 /nfs/dbraw/zinc/29/94/49/702299449.db2.gz ZRKWXFOSYONWAE-VIFPVBQESA-N 0 1 311.338 1.312 20 10 DDCDMN O=C1NCC2(CN(Cc3cccc(Br)c3O)C2)O1 ZINC000817417052 702375311 /nfs/dbraw/zinc/37/53/11/702375311.db2.gz UXPXZBANEHUBDU-UHFFFAOYSA-N 0 1 313.151 1.449 20 10 DDCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCc3nnnn3CC2)c(Cl)c1 ZINC000817420182 702377221 /nfs/dbraw/zinc/37/72/21/702377221.db2.gz PDBUZLYLCIENAJ-JTQLQIEISA-N 0 1 307.785 1.835 20 10 DDCDMN COc1ccc(N2CC[C@H](CNCc3cnn(C)n3)C2)cc1 ZINC000818220257 702610016 /nfs/dbraw/zinc/61/00/16/702610016.db2.gz GUNWHFURPDSHCZ-CYBMUJFWSA-N 0 1 301.394 1.440 20 10 DDCDMN COc1ccc(CNC(=O)[C@@H]2CCCc3n[nH]nc32)c(O)c1 ZINC000846950610 703356376 /nfs/dbraw/zinc/35/63/76/703356376.db2.gz PTMIOKKQUPEYTJ-LLVKDONJSA-N 0 1 302.334 1.255 20 10 DDCDMN Cc1cc([O-])c(C[NH2+]C[C@@]2(OCCO)CCOC2)c(Cl)c1 ZINC000850358246 703727117 /nfs/dbraw/zinc/72/71/17/703727117.db2.gz MDFJRCWLVYMEDL-HNNXBMFYSA-N 0 1 315.797 1.612 20 10 DDCDMN COc1cccc(CNC(=O)C(C)(C)CN2CCOCC2)c1O ZINC000821064699 704366701 /nfs/dbraw/zinc/36/67/01/704366701.db2.gz GAFURNFBIYOOTL-UHFFFAOYSA-N 0 1 322.405 1.375 20 10 DDCDMN COc1ccc(N(C)CCN(C)C(=O)C2=NC(=O)N(C)C2)cc1 ZINC000855021089 704466466 /nfs/dbraw/zinc/46/64/66/704466466.db2.gz YZBOTJJUXYGDFH-UHFFFAOYSA-N 0 1 318.377 1.343 20 10 DDCDMN CCn1nncc1CNCc1ccc(N2CCOCC2)cc1 ZINC000858202784 704677736 /nfs/dbraw/zinc/67/77/36/704677736.db2.gz JDZLQIKHVRVKRR-UHFFFAOYSA-N 0 1 301.394 1.424 20 10 DDCDMN Cc1ccc(O)c(CNC(=O)N[C@H](C)CN2CCN(C)CC2)c1 ZINC000858283219 704689544 /nfs/dbraw/zinc/68/95/44/704689544.db2.gz DLPUVJUTBBJVOM-CQSZACIVSA-N 0 1 320.437 1.136 20 10 DDCDMN CN(C)c1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])nn2C)cc1 ZINC000874037124 704923322 /nfs/dbraw/zinc/92/33/22/704923322.db2.gz RAYAYVNFJBCOSY-UHFFFAOYSA-N 0 1 302.378 1.816 20 10 DDCDMN CN(C)c1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])nn2C)cc1 ZINC000874037124 704923324 /nfs/dbraw/zinc/92/33/24/704923324.db2.gz RAYAYVNFJBCOSY-UHFFFAOYSA-N 0 1 302.378 1.816 20 10 DDCDMN CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000874044536 704925205 /nfs/dbraw/zinc/92/52/05/704925205.db2.gz DXQVMECNKNIEPC-INIZCTEOSA-N 0 1 317.433 1.735 20 10 DDCDMN CN1CCN(c2ccc(C[N@H+]3CCC[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000874044536 704925211 /nfs/dbraw/zinc/92/52/11/704925211.db2.gz DXQVMECNKNIEPC-INIZCTEOSA-N 0 1 317.433 1.735 20 10 DDCDMN C[C@@H](NC(=O)NC[C@@H]1COCCN1)c1ccc(N(C)C)cc1 ZINC000861620892 705522678 /nfs/dbraw/zinc/52/26/78/705522678.db2.gz QBUJYZUVAAMETQ-TZMCWYRMSA-N 0 1 306.410 1.101 20 10 DDCDMN CC(C)[N@@H+](CCS(C)(=O)=O)Cc1ccc(F)c(F)c1[O-] ZINC000876773734 705869880 /nfs/dbraw/zinc/86/98/80/705869880.db2.gz WRVSMWHSBREMPW-UHFFFAOYSA-N 0 1 307.362 1.925 20 10 DDCDMN [O-]c1c(C[NH2+]CCCCN2CCOCC2)ccc(F)c1F ZINC000876937618 705930797 /nfs/dbraw/zinc/93/07/97/705930797.db2.gz YBFUKCBTLBYXEU-UHFFFAOYSA-N 0 1 300.349 1.872 20 10 DDCDMN CN(Cc1cn(C)nn1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000827304808 705972323 /nfs/dbraw/zinc/97/23/23/705972323.db2.gz GGPGOTCITDVFFU-UHFFFAOYSA-N 0 1 314.437 1.199 20 10 DDCDMN COCCOCC[N@@H+](CCO)Cc1ccc(F)c(F)c1[O-] ZINC000877652070 706170676 /nfs/dbraw/zinc/17/06/76/706170676.db2.gz RGXTZGXBZVECNQ-UHFFFAOYSA-N 0 1 305.321 1.128 20 10 DDCDMN CN(C)c1ccc(/C=C\CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 ZINC000835057728 707164174 /nfs/dbraw/zinc/16/41/74/707164174.db2.gz YJOHVQIXXNDCLF-QCDWVSHVSA-N 0 1 315.417 1.355 20 10 DDCDMN CC[C@@H]([NH2+]C[C@@H](O)CS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000927023904 712931921 /nfs/dbraw/zinc/93/19/21/712931921.db2.gz JEVDOHPFAQPSPS-ZYHUDNBSSA-N 0 1 321.826 1.492 20 10 DDCDMN CC[C@@H](C)OCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881852479 707393582 /nfs/dbraw/zinc/39/35/82/707393582.db2.gz ROQKZERUGBROFA-OAHLLOKOSA-N 0 1 319.449 1.870 20 10 DDCDMN COC(=O)CC[N@@H+](CC(=O)[O-])Cc1c(O)cccc1Cl ZINC000883519797 708020503 /nfs/dbraw/zinc/02/05/03/708020503.db2.gz CEPLALYWTNZTSG-UHFFFAOYSA-N 0 1 301.726 1.495 20 10 DDCDMN NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000897058137 708218946 /nfs/dbraw/zinc/21/89/46/708218946.db2.gz MIZYQLRPTHKICQ-SECBINFHSA-N 0 1 304.799 1.156 20 10 DDCDMN NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000897058137 708218948 /nfs/dbraw/zinc/21/89/48/708218948.db2.gz MIZYQLRPTHKICQ-SECBINFHSA-N 0 1 304.799 1.156 20 10 DDCDMN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(Cl)c1 ZINC000897617894 708394898 /nfs/dbraw/zinc/39/48/98/708394898.db2.gz GVDFOLOXLBFPRG-PHIMTYICSA-N 0 1 315.822 1.830 20 10 DDCDMN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(Cl)c1 ZINC000897617894 708394901 /nfs/dbraw/zinc/39/49/01/708394901.db2.gz GVDFOLOXLBFPRG-PHIMTYICSA-N 0 1 315.822 1.830 20 10 DDCDMN NC(=O)N=Nc1ccc(C(=O)N2CC(N3CCCC3)C2)cc1 ZINC000898599535 708805092 /nfs/dbraw/zinc/80/50/92/708805092.db2.gz PMNVPNARYQRUBR-UHFFFAOYSA-N 0 1 301.350 1.769 20 10 DDCDMN C[C@H](O)CCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000889660677 709575927 /nfs/dbraw/zinc/57/59/27/709575927.db2.gz FKWADODLXURHKF-AWEZNQCLSA-N 0 1 320.437 1.009 20 10 DDCDMN CN(C(=O)NCc1ccc(N2CCN(C)CC2)cc1)C1CC1 ZINC000889670202 709577763 /nfs/dbraw/zinc/57/77/63/709577763.db2.gz YXQFUWOVQMXUMK-UHFFFAOYSA-N 0 1 302.422 1.742 20 10 DDCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000900399320 709577814 /nfs/dbraw/zinc/57/78/14/709577814.db2.gz DEKADZQJWBIAQD-SJLPKXTDSA-N 0 1 319.449 1.556 20 10 DDCDMN COC(=O)C[C@@H]1COCCN1Cc1cc(F)cc(F)c1O ZINC000894782322 711269744 /nfs/dbraw/zinc/26/97/44/711269744.db2.gz XCUQDEPBRCIVNQ-LLVKDONJSA-N 0 1 301.289 1.434 20 10 DDCDMN COC(=O)c1c(CNC/C=C/CO)c2cc(F)ccc2n1C ZINC000895248920 711465831 /nfs/dbraw/zinc/46/58/31/711465831.db2.gz VUWBANYXPJKISW-ONEGZZNKSA-N 0 1 306.337 1.742 20 10 DDCDMN CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1cc(Br)ccc1[O-] ZINC000895316034 711481957 /nfs/dbraw/zinc/48/19/57/711481957.db2.gz GQQHQAMMWRGSQP-NSHDSACASA-N 0 1 313.195 1.769 20 10 DDCDMN C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000895328947 711486185 /nfs/dbraw/zinc/48/61/85/711486185.db2.gz HYTKSDRZTGRDAD-ZWNOBZJWSA-N 0 1 316.195 1.472 20 10 DDCDMN COc1ccc(CN2CCNC(=O)CC23CCC3)c(O)c1OC ZINC000896076728 711672717 /nfs/dbraw/zinc/67/27/17/711672717.db2.gz UKTIYRYKPYIRTD-UHFFFAOYSA-N 0 1 320.389 1.654 20 10 DDCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001184364849 744034602 /nfs/dbraw/zinc/03/46/02/744034602.db2.gz YLSUZQOZUBHCIE-UWVGGRQHSA-N 0 1 303.761 1.607 20 10 DDCDMN COc1cc(C(=O)N2CCN(C(C)(C)C)CC2)cc(O)c1O ZINC001193096228 745987704 /nfs/dbraw/zinc/98/77/04/745987704.db2.gz MEPQQHCQWBJWDU-UHFFFAOYSA-N 0 1 308.378 1.663 20 10 DDCDMN O=C(Nc1ncccc1CCO)c1cc(O)c(O)c(Cl)c1 ZINC001193606137 746165495 /nfs/dbraw/zinc/16/54/95/746165495.db2.gz UEACGFOYJKFXMX-UHFFFAOYSA-N 0 1 308.721 1.933 20 10 DDCDMN COc1cc(CN2CCN(c3nccnn3)CC2)c(O)cc1C ZINC000863272158 749076973 /nfs/dbraw/zinc/07/69/73/749076973.db2.gz MYAHLIYYRKOOAY-UHFFFAOYSA-N 0 1 315.377 1.216 20 10 DDCDMN COC[C@@H](O)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691427705 762651221 /nfs/dbraw/zinc/65/12/21/762651221.db2.gz FSBIVFQEQJHVPA-NSHDSACASA-N 0 1 304.184 1.642 20 10 DDCDMN C[C@@H]1CN(C2CN(Cc3c(O)cc(O)cc3O)C2)C[C@H](C)O1 ZINC001144519978 772556022 /nfs/dbraw/zinc/55/60/22/772556022.db2.gz FWVLYTRDHUWYKZ-PHIMTYICSA-N 0 1 308.378 1.097 20 10 DDCDMN C[C@]1(CO)CC[N@H+](Cc2c([O-])ccc(F)c2Cl)C[C@@H]1O ZINC001237123702 846662785 /nfs/dbraw/zinc/66/27/85/846662785.db2.gz KPFDRTFCVVJYRL-GXTWGEPZSA-N 0 1 303.761 1.750 20 10 DDCDMN C[C@]1(CO)CC[N@@H+](Cc2c([O-])ccc(F)c2Cl)C[C@@H]1O ZINC001237123702 846662787 /nfs/dbraw/zinc/66/27/87/846662787.db2.gz KPFDRTFCVVJYRL-GXTWGEPZSA-N 0 1 303.761 1.750 20 10 DDCDMN CC[C@H](C)N1C(=O)COCC12CN(Cc1c(C)cccc1O)C2 ZINC001274300927 852140970 /nfs/dbraw/zinc/14/09/70/852140970.db2.gz KXTRBXRAUKDKGG-AWEZNQCLSA-N 0 1 318.417 1.912 20 10 DDCDMN COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139124587 860297086 /nfs/dbraw/zinc/29/70/86/860297086.db2.gz CMOSYFPKTLHZJJ-NSHDSACASA-N 0 1 317.341 1.802 20 10 DDCDMN [O-]c1cc(F)cc(F)c1CN1CCC([NH+]2CCOCC2)CC1 ZINC001140580054 860657471 /nfs/dbraw/zinc/65/74/71/860657471.db2.gz PWCXHXUYOUDTKE-UHFFFAOYSA-N 0 1 312.360 1.967 20 10 DDCDMN O=C(NCc1c(O)cccc1O)c1cn[nH]c1-c1ccccn1 ZINC001156886068 863416327 /nfs/dbraw/zinc/41/63/27/863416327.db2.gz SICBIMAGZDEQKI-UHFFFAOYSA-N 0 1 310.313 1.813 20 10 DDCDMN CCN(OC)C(=O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC001333946295 867180833 /nfs/dbraw/zinc/18/08/33/867180833.db2.gz URABVNLSZOLNLY-UHFFFAOYSA-N 0 1 317.183 1.654 20 10 DDCDMN C[C@@H]1CN(CCCNC(=O)NCc2ccc(N)cc2)C[C@@H](C)O1 ZINC001335917505 868618294 /nfs/dbraw/zinc/61/82/94/868618294.db2.gz NFZDMLIFCZCKTQ-ZIAGYGMSSA-N 0 1 320.437 1.567 20 10 DDCDMN NOCCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001336242339 868812242 /nfs/dbraw/zinc/81/22/42/868812242.db2.gz ZNWZNDZKIFCWFJ-UHFFFAOYSA-N 0 1 308.165 1.779 20 10 DDCDMN COC[C@H]1Cn2nccc2CN(Cc2cc(OC)ccc2O)C1 ZINC001203675286 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/nfs/dbraw/zinc/02/91/90/708029190.db2.gz IWETVAYJLLRXHN-UHFFFAOYSA-N 0 1 316.760 1.474 20 10 DDCDMN Cc1ccc([C@H](C)NCc2nnc3c(=O)[nH]ccn23)c(O)c1C ZINC000886704489 708818201 /nfs/dbraw/zinc/81/82/01/708818201.db2.gz HDQGOWOASDKIQX-NSHDSACASA-N 0 1 313.361 1.591 20 10 DDCDMN COc1ccc(CNCc2ccnc(N(C)C)n2)c(O)c1OC ZINC000893302066 710590144 /nfs/dbraw/zinc/59/01/44/710590144.db2.gz ALWWUELUYFYUMV-UHFFFAOYSA-N 0 1 318.377 1.555 20 10 DDCDMN CC(=O)NC[C@H]1CN(Cc2cc(F)cc(F)c2O)CCO1 ZINC000894031296 710936411 /nfs/dbraw/zinc/93/64/11/710936411.db2.gz ULDHDRRAQMFNMH-LBPRGKRZSA-N 0 1 300.305 1.007 20 10 DDCDMN COc1ccc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c1OC ZINC000894142654 710983891 /nfs/dbraw/zinc/98/38/91/710983891.db2.gz OPDDDHZEKAHUIO-SJKOYZFVSA-N 0 1 323.389 1.789 20 10 DDCDMN C[NH+](C)CCOCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894367843 711090391 /nfs/dbraw/zinc/09/03/91/711090391.db2.gz WTQSLZQMAFSMHU-UHFFFAOYSA-N 0 1 315.801 1.423 20 10 DDCDMN COc1ccc(N2CCN(C[C@@H]3CCC4(COC4)O3)CC2)cc1 ZINC000929152946 713557554 /nfs/dbraw/zinc/55/75/54/713557554.db2.gz KCJBCJVWWJWDKO-KRWDZBQOSA-N 0 1 318.417 1.765 20 10 DDCDMN Cn1nccc1[C@@H](CO)NCc1ccc(N2CCOCC2)cc1 ZINC000930699441 713898955 /nfs/dbraw/zinc/89/89/55/713898955.db2.gz HEAGNLAKRWAXAB-MRXNPFEDSA-N 0 1 316.405 1.080 20 10 DDCDMN CC[C@@H]1C(=O)NCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000933219746 714539995 /nfs/dbraw/zinc/53/99/95/714539995.db2.gz TZSRGXWYPJEHHL-QGZVFWFLSA-N 0 1 317.433 1.624 20 10 DDCDMN CC(C)(O)CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588405167 733575343 /nfs/dbraw/zinc/57/53/43/733575343.db2.gz RFCUZFFZCPHJHJ-XQRVVYSFSA-N 0 1 320.389 1.026 20 10 DDCDMN CCOC(=O)CC(=N)NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193625506 746153354 /nfs/dbraw/zinc/15/33/54/746153354.db2.gz JJIVRGQDTHWIBT-UHFFFAOYSA-N 0 1 300.698 1.411 20 10 DDCDMN COc1ccc(CNC(=O)c2cc(O)c(O)c(Cl)c2)nn1 ZINC001193626650 746154115 /nfs/dbraw/zinc/15/41/15/746154115.db2.gz YLZQLPMCJWGYMT-UHFFFAOYSA-N 0 1 309.709 1.480 20 10 DDCDMN C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691440225 762938187 /nfs/dbraw/zinc/93/81/87/762938187.db2.gz OHAZYUSUTFFDTH-QMMMGPOBSA-N 0 1 322.224 1.677 20 10 DDCDMN CCCCN1C[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)OCC1=O ZINC001272618087 846414660 /nfs/dbraw/zinc/41/46/60/846414660.db2.gz BAZTVPJZFYYBAX-SFHVURJKSA-N 0 1 318.417 1.996 20 10 DDCDMN Cc1cc(O)c(CN2C[C@H](CO)[C@H](O)C2)cc1Br ZINC001237678509 846693532 /nfs/dbraw/zinc/69/35/32/846693532.db2.gz ZYVDXYVIWARCMM-ZWNOBZJWSA-N 0 1 316.195 1.248 20 10 DDCDMN NC(=O)[C@@H]1CC12CCN(C(=O)c1cc(O)c(O)c(Cl)c1)CC2 ZINC001276216511 855004872 /nfs/dbraw/zinc/00/48/72/855004872.db2.gz WWLNHCYQMVVFFQ-VIFPVBQESA-N 0 1 324.764 1.479 20 10 DDCDMN COC(=O)[C@H](C)N(C)Cc1c(O)ccc2c(C)cc(=O)oc21 ZINC001139127071 860295028 /nfs/dbraw/zinc/29/50/28/860295028.db2.gz DMWHOEDGODPMCY-JTQLQIEISA-N 0 1 305.330 1.800 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCCC[C@H]1C(N)=O ZINC001139129113 860298035 /nfs/dbraw/zinc/29/80/35/860298035.db2.gz 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/nfs/dbraw/zinc/93/12/15/876931215.db2.gz JQNLTNMCUOHCJI-UHFFFAOYSA-N 0 1 313.350 1.333 20 10 DDCDMN CN(C)C(=O)c1[nH]nc2c1CN(Cc1cc(Cl)ccc1O)C2 ZINC001277456616 884507619 /nfs/dbraw/zinc/50/76/19/884507619.db2.gz BGZXJPVNXSKCPC-UHFFFAOYSA-N 0 1 320.780 1.986 20 10 DDCDMN CN(C)C(=O)C[C@@H]1C[C@@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@@H]2O1 ZINC001277490013 885274395 /nfs/dbraw/zinc/27/43/95/885274395.db2.gz ZKSBFCXQEUCIIC-WQGACYEGSA-N 0 1 322.380 1.599 20 10 DDCDMN COC[C@H]1c2nnn(C)c2CCN1Cc1cccc(Cl)c1O ZINC001231910257 885940890 /nfs/dbraw/zinc/94/08/90/885940890.db2.gz LWIPITKMGHNPEK-ZDUSSCGKSA-N 0 1 322.796 1.920 20 10 DDCDMN COC[C@@H]1CN(Cc2cccc(Cl)c2O)Cc2nnn(C)c21 ZINC001231909717 885941355 /nfs/dbraw/zinc/94/13/55/885941355.db2.gz HTAJLPYTJDOKGX-NSHDSACASA-N 0 1 322.796 1.920 20 10 DDCDMN COC[C@H]1CN(Cc2cccc(Cl)c2O)Cc2nnn(C)c21 ZINC001231909674 885941966 /nfs/dbraw/zinc/94/19/66/885941966.db2.gz HTAJLPYTJDOKGX-LLVKDONJSA-N 0 1 322.796 1.920 20 10 DDCDMN COc1cc(O)c(CN2CCN(CCCO)CC2)cc1Cl ZINC001232265794 886198340 /nfs/dbraw/zinc/19/83/40/886198340.db2.gz FTJUWNSHAFQZMG-UHFFFAOYSA-N 0 1 314.813 1.554 20 10 DDCDMN COCCN(C)C(=O)[C@H]1CC12CN(Cc1cc(O)ccc1O)C2 ZINC001277660249 886335342 /nfs/dbraw/zinc/33/53/42/886335342.db2.gz RKFNLYYKUFEEGJ-CQSZACIVSA-N 0 1 320.389 1.025 20 10 DDCDMN COc1cc(Cl)cc(CN2CC[C@@H](O)[C@@](C)(CO)C2)c1O ZINC001233287859 886898552 /nfs/dbraw/zinc/89/85/52/886898552.db2.gz KIVAVCJSUVEYHP-UKRRQHHQSA-N 0 1 315.797 1.619 20 10 DDCDMN C[C@]1(CO)C[N@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC[C@H]1O ZINC001233452419 886999933 /nfs/dbraw/zinc/99/99/33/886999933.db2.gz VQGLLKJWFKKWLV-ZIAGYGMSSA-N 0 1 319.323 1.976 20 10 DDCDMN C[C@]1(CO)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[O-])CC[C@H]1O ZINC001233452419 886999937 /nfs/dbraw/zinc/99/99/37/886999937.db2.gz VQGLLKJWFKKWLV-ZIAGYGMSSA-N 0 1 319.323 1.976 20 10 DDCDMN CCc1ccc(C[N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)c(O)c1 ZINC001236782883 889353031 /nfs/dbraw/zinc/35/30/31/889353031.db2.gz GKSTULDAFCMODX-JSGCOSHPSA-N 0 1 319.323 1.815 20 10 DDCDMN CCOc1ccc(CN2CCN(c3ncncn3)CC2)c(O)c1 ZINC001237048857 889482350 /nfs/dbraw/zinc/48/23/50/889482350.db2.gz XSXPORYNIXNFBD-UHFFFAOYSA-N 0 1 315.377 1.298 20 10 DDCDMN COC(=O)CN(CC(=O)OC)Cc1cc(F)cc(Cl)c1O ZINC001237798470 889850676 /nfs/dbraw/zinc/85/06/76/889850676.db2.gz GHINXXDQABAMBF-UHFFFAOYSA-N 0 1 319.716 1.333 20 10 DDCDMN COC(=O)[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2[O-])CCCO1 ZINC001237803148 889853939 /nfs/dbraw/zinc/85/39/39/889853939.db2.gz QVAXAVAMZSRMLX-GFCCVEGCSA-N 0 1 317.744 1.949 20 10 DDCDMN COC(=O)[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CCCO1 ZINC001237803148 889853955 /nfs/dbraw/zinc/85/39/55/889853955.db2.gz QVAXAVAMZSRMLX-GFCCVEGCSA-N 0 1 317.744 1.949 20 10 DDCDMN COC(=O)Cc1ccc(CN2CCC(=O)[C@@H](C)CC2)c(O)c1 ZINC001249177845 893852782 /nfs/dbraw/zinc/85/27/82/893852782.db2.gz KCHWNOQLRKCBSP-LBPRGKRZSA-N 0 1 305.374 1.909 20 10 DDCDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(O)c2O)cc1 ZINC001251834838 894835000 /nfs/dbraw/zinc/83/50/00/894835000.db2.gz XNJILHPSHZLBGG-UHFFFAOYSA-N 0 1 322.342 1.857 20 10 DDCDMN O=S(=O)(Nc1ccc(O)cc1O)c1ccc2c(c1)OCCO2 ZINC001259338974 898614516 /nfs/dbraw/zinc/61/45/16/898614516.db2.gz QCYZWFRAMBDEJD-UHFFFAOYSA-N 0 1 323.326 1.670 20 10 DDCDMN C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc2ccccc2c1[O-] ZINC000185205115 299296198 /nfs/dbraw/zinc/29/61/98/299296198.db2.gz DJMVQNULDHGYQP-NSHDSACASA-N 0 1 313.357 1.748 20 10 DDCDMN CC(=O)c1cc(F)cc(C[N@H+](CCO)C2CCOCC2)c1[O-] ZINC000275455997 130323382 /nfs/dbraw/zinc/32/33/82/130323382.db2.gz BJSSOFRPUSLWFV-UHFFFAOYSA-N 0 1 311.353 1.707 20 10 DDCDMN CC(=O)c1cc(F)cc(C[N@@H+](CCO)C2CCOCC2)c1[O-] ZINC000275455997 130323386 /nfs/dbraw/zinc/32/33/86/130323386.db2.gz BJSSOFRPUSLWFV-UHFFFAOYSA-N 0 1 311.353 1.707 20 10 DDCDMN C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000186077522 407570057 /nfs/dbraw/zinc/57/00/57/407570057.db2.gz MBEBVUWRSJPOOS-JTQLQIEISA-N 0 1 321.826 1.757 20 10 DDCDMN CCOc1cccc(CN2CCN(c3cnn(C)c3)CC2)c1O ZINC000126078512 407405156 /nfs/dbraw/zinc/40/51/56/407405156.db2.gz PTIGBZXAWUTGSD-UHFFFAOYSA-N 0 1 316.405 1.847 20 10 DDCDMN C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(F)ccc1[O-] ZINC000186167329 407592601 /nfs/dbraw/zinc/59/26/01/407592601.db2.gz IITOPYLVBMEQCT-GHMZBOCLSA-N 0 1 316.398 1.463 20 10 DDCDMN C[C@H]([NH2+]CCCNS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000184920945 408717255 /nfs/dbraw/zinc/71/72/55/408717255.db2.gz PJTJWGHZOORMST-VIFPVBQESA-N 0 1 306.815 1.636 20 10 DDCDMN C[C@H]1C[C@@H](O)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000292468028 409031056 /nfs/dbraw/zinc/03/10/56/409031056.db2.gz RBADTNGUINVMKQ-YOEHRIQHSA-N 0 1 319.449 1.556 20 10 DDCDMN C[C@H](O)[C@@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299238098 410577697 /nfs/dbraw/zinc/57/76/97/410577697.db2.gz JVIBZOBVKHVVLI-YOEHRIQHSA-N 0 1 319.449 1.604 20 10 DDCDMN COc1ccc(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)c(O)c1 ZINC000378120882 418718991 /nfs/dbraw/zinc/71/89/91/418718991.db2.gz TXQRCFOQBUISEA-NSHDSACASA-N 0 1 316.361 1.481 20 10 DDCDMN COc1c([O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000375731083 418678073 /nfs/dbraw/zinc/67/80/73/418678073.db2.gz MTTVTGDBUVIZQF-HNNXBMFYSA-N 0 1 308.334 1.921 20 10 DDCDMN COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc(F)c3[O-])C2)nn1 ZINC000363931386 418771538 /nfs/dbraw/zinc/77/15/38/418771538.db2.gz RRLBDTLFASDLFE-LLVKDONJSA-N 0 1 320.324 1.356 20 10 DDCDMN COCC[N@@H+](C)CCNC(=O)NCc1ccc2c(c1)CCN2C ZINC000372491350 418876497 /nfs/dbraw/zinc/87/64/97/418876497.db2.gz BFFGMHKZSDZEJW-UHFFFAOYSA-N 0 1 320.437 1.056 20 10 DDCDMN CC1(N2CCOCC2)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000529909587 421567692 /nfs/dbraw/zinc/56/76/92/421567692.db2.gz KQUDGSCYNMXMRU-UHFFFAOYSA-N 0 1 320.389 1.425 20 10 DDCDMN CCOC(=O)C1(O)CCN(Cc2cccc(OCC)c2O)CC1 ZINC000271198069 520472144 /nfs/dbraw/zinc/47/21/44/520472144.db2.gz OPEPSEINHVKPNC-UHFFFAOYSA-N 0 1 323.389 1.681 20 10 DDCDMN C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C(=O)[O-] ZINC000833695979 604628672 /nfs/dbraw/zinc/62/86/72/604628672.db2.gz 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/nfs/dbraw/zinc/55/69/39/707556939.db2.gz ONWWFSHIAJXUNX-QWHCGFSZSA-N 0 1 315.316 1.674 20 10 DDCDMN C[C@H]1CCc2n[nH]c(C(=O)NCCc3ccc(O)c(O)c3)c2C1 ZINC000897069156 708222335 /nfs/dbraw/zinc/22/23/35/708222335.db2.gz UHBDHEONNKRPQO-JTQLQIEISA-N 0 1 315.373 1.918 20 10 DDCDMN Cc1cc([O-])c(C[NH2+]CCCn2ccc(=O)[nH]c2=O)c(Cl)c1 ZINC000898330383 708611774 /nfs/dbraw/zinc/61/17/74/708611774.db2.gz UVTGLNNTZSVWKN-UHFFFAOYSA-N 0 1 323.780 1.796 20 10 DDCDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000901129953 709938185 /nfs/dbraw/zinc/93/81/85/709938185.db2.gz BNGDNKCYALVRFM-RFAUZJTJSA-N 0 1 301.346 1.803 20 10 DDCDMN CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894085283 710958269 /nfs/dbraw/zinc/95/82/69/710958269.db2.gz SLPLTANJRNPPOH-LLVKDONJSA-N 0 1 320.361 1.184 20 10 DDCDMN COc1ccc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c1OC ZINC000894181249 711002951 /nfs/dbraw/zinc/00/29/51/711002951.db2.gz KXIQOSXAWZETGZ-SJKOYZFVSA-N 0 1 323.389 1.789 20 10 DDCDMN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cn(C)nn3)C2)cc1 ZINC000903047357 711015011 /nfs/dbraw/zinc/01/50/11/711015011.db2.gz MEGCXGJMJVMFJP-QWHCGFSZSA-N 0 1 301.394 1.753 20 10 DDCDMN COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(F)cc(F)c1O ZINC000894531127 711166543 /nfs/dbraw/zinc/16/65/43/711166543.db2.gz WJZLZXODSQTYHC-VXGBXAGGSA-N 0 1 301.289 1.169 20 10 DDCDMN Cn1nccc1[C@H]1COCCN1Cc1cc(F)cc(F)c1O ZINC000895149069 711433450 /nfs/dbraw/zinc/43/34/50/711433450.db2.gz BPXMLNAZWIJTBX-CQSZACIVSA-N 0 1 309.316 1.977 20 10 DDCDMN C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000895326367 711484858 /nfs/dbraw/zinc/48/48/58/711484858.db2.gz XAFBHUUVEIKNKI-DGCLKSJQSA-N 0 1 316.195 1.472 20 10 DDCDMN C[C@]1(CO)C[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000895326367 711484860 /nfs/dbraw/zinc/48/48/60/711484860.db2.gz XAFBHUUVEIKNKI-DGCLKSJQSA-N 0 1 316.195 1.472 20 10 DDCDMN C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(Br)cc1O ZINC000895326367 711484862 /nfs/dbraw/zinc/48/48/62/711484862.db2.gz XAFBHUUVEIKNKI-DGCLKSJQSA-N 0 1 316.195 1.472 20 10 DDCDMN CN(CC[NH2+]Cc1ccc2ccccc2c1[O-])CCOCCO ZINC000895665177 711572554 /nfs/dbraw/zinc/57/25/54/711572554.db2.gz GBWFZYDZVPMKQZ-UHFFFAOYSA-N 0 1 318.417 1.576 20 10 DDCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C3OCCO3)C2)c1O ZINC000932003792 714230882 /nfs/dbraw/zinc/23/08/82/714230882.db2.gz BPUSMYRMBPLYGJ-NSHDSACASA-N 0 1 309.337 1.929 20 10 DDCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1[O-] ZINC000932003792 714230883 /nfs/dbraw/zinc/23/08/83/714230883.db2.gz BPUSMYRMBPLYGJ-NSHDSACASA-N 0 1 309.337 1.929 20 10 DDCDMN CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C3OCCO3)C2)c1[O-] ZINC000932003792 714230884 /nfs/dbraw/zinc/23/08/84/714230884.db2.gz BPUSMYRMBPLYGJ-NSHDSACASA-N 0 1 309.337 1.929 20 10 DDCDMN CO[C@@H]1CC[C@H]1N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000934119535 714746747 /nfs/dbraw/zinc/74/67/47/714746747.db2.gz PULFLMDITLQRFO-HZPDHXFCSA-N 0 1 305.422 1.478 20 10 DDCDMN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCN2C)cc1 ZINC000925428638 714853852 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772555163 /nfs/dbraw/zinc/55/51/63/772555163.db2.gz MTEBOJJXWRDAHW-UHFFFAOYSA-N 0 1 320.345 1.886 20 10 DDCDMN N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)Cc1nn[nH]n1 ZINC001176838318 778269316 /nfs/dbraw/zinc/26/93/16/778269316.db2.gz UMISULGDBKFRNW-VRCGZAIDSA-N 0 1 323.320 1.361 20 10 DDCDMN [O-]c1cccc(Br)c1C[NH2+]CCCn1ccnn1 ZINC000706829103 836663984 /nfs/dbraw/zinc/66/39/84/836663984.db2.gz JVSMTSMKWCSRCI-UHFFFAOYSA-N 0 1 311.183 1.926 20 10 DDCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@]1(O)CCOC1 ZINC000706868931 836682686 /nfs/dbraw/zinc/68/26/86/836682686.db2.gz WIIONOXTEDOUPL-GFCCVEGCSA-N 0 1 302.168 1.396 20 10 DDCDMN COCCOCN1CC2(C1)CN(Cc1cccc(OC)c1O)C2 ZINC001275273621 852946217 /nfs/dbraw/zinc/94/62/17/852946217.db2.gz SXSKUPLCTGLSQK-UHFFFAOYSA-N 0 1 322.405 1.139 20 10 DDCDMN Cc1c(CN2CCN3C(=O)COC[C@@H]3C2)c2ccccc2n1C ZINC001138257905 860046832 /nfs/dbraw/zinc/04/68/32/860046832.db2.gz CMIPYBHHMPLKLL-AWEZNQCLSA-N 0 1 313.401 1.530 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCN(C)[C@H](C)C1 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1.753 20 10 DDCDMN CCNC(=O)[C@@H]1CCCN1Cc1c(O)cc(OC)cc1OC ZINC001141032441 860768989 /nfs/dbraw/zinc/76/89/89/860768989.db2.gz CCENKTOKGZKUGR-ZDUSSCGKSA-N 0 1 308.378 1.510 20 10 DDCDMN Oc1ccc(O)c(CN2CCN(CCc3ccccn3)CC2)c1 ZINC001141159019 860797930 /nfs/dbraw/zinc/79/79/30/860797930.db2.gz WADXKDYXUVGGQK-UHFFFAOYSA-N 0 1 313.401 1.853 20 10 DDCDMN CN(Cc1ccc(N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001334753953 867815220 /nfs/dbraw/zinc/81/52/20/867815220.db2.gz KDOKHYNNVNZPAJ-GFCCVEGCSA-N 0 1 301.312 1.864 20 10 DDCDMN CC(C)(C)NC(=O)[C@@H]1CC12CN(Cc1ccc(O)cc1O)C2 ZINC001277193076 882932102 /nfs/dbraw/zinc/93/21/02/882932102.db2.gz XTSQNTZUPAAKCY-ZDUSSCGKSA-N 0 1 304.390 1.834 20 10 DDCDMN CCc1ccc(CN2CC3(CCN3COCCOC)C2)c(O)c1 ZINC001276805347 878265313 /nfs/dbraw/zinc/26/53/13/878265313.db2.gz UKNVKYNTDLCGBQ-UHFFFAOYSA-N 0 1 320.433 1.835 20 10 DDCDMN N[C@@H](Cc1ccsc1)C(=O)NCCc1cc(O)c(O)cc1O ZINC001220115208 878714592 /nfs/dbraw/zinc/71/45/92/878714592.db2.gz JTOCHMKBVUIPSB-NSHDSACASA-N 0 1 322.386 1.094 20 10 DDCDMN O=C([O-])c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c(O)c1 ZINC001231451770 885669346 /nfs/dbraw/zinc/66/93/46/885669346.db2.gz USIOGWACLCBGLS-HNNXBMFYSA-N 0 1 320.389 1.387 20 10 DDCDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)[C@@H]1C ZINC001231565327 885736007 /nfs/dbraw/zinc/73/60/07/885736007.db2.gz SBKSXHFEGLWJFR-ZWNOBZJWSA-N 0 1 307.346 1.864 20 10 DDCDMN COc1cc(CN2CC[C@](O)(C(F)(F)F)C2)c(O)cc1O ZINC001231635443 885772794 /nfs/dbraw/zinc/77/27/94/885772794.db2.gz ZBUQWHIIUNJIRP-GFCCVEGCSA-N 0 1 307.268 1.606 20 10 DDCDMN Cc1ccc(CN2Cc3n[nH]c(C(=O)N(C)C)c3C2)c(O)c1 ZINC001277567749 885875940 /nfs/dbraw/zinc/87/59/40/885875940.db2.gz HTIQZGUDLGJEKK-UHFFFAOYSA-N 0 1 300.362 1.641 20 10 DDCDMN Cc1cc(C)c(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c(O)c1 ZINC001231841751 885899900 /nfs/dbraw/zinc/89/99/00/885899900.db2.gz HWYQVZDQJICGJR-KRWDZBQOSA-N 0 1 318.417 1.832 20 10 DDCDMN CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231857401 885911024 /nfs/dbraw/zinc/91/10/24/885911024.db2.gz IQTLYQVFECZMFY-AWEZNQCLSA-N 0 1 320.437 1.655 20 10 DDCDMN CNC(=O)N[C@H]1CCCN(Cc2ccc(N(C)C)cc2OC)C1 ZINC001231857401 885911042 /nfs/dbraw/zinc/91/10/42/885911042.db2.gz IQTLYQVFECZMFY-AWEZNQCLSA-N 0 1 320.437 1.655 20 10 DDCDMN [O-]c1c(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cccc1C(F)(F)F ZINC001233415966 886986245 /nfs/dbraw/zinc/98/62/45/886986245.db2.gz QCNRWFJMSVOTKB-ZYHUDNBSSA-N 0 1 305.296 1.586 20 10 DDCDMN COC(=O)[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])C[C@@H]1[NH3+] ZINC001236358149 889215763 /nfs/dbraw/zinc/21/57/63/889215763.db2.gz UBDBRZHLFGVQDD-KCJUWKMLSA-N 0 1 302.733 1.117 20 10 DDCDMN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001236794645 889358812 /nfs/dbraw/zinc/35/88/12/889358812.db2.gz TZLBZZIZRWGUGF-AMIZOPFISA-N 0 1 306.189 1.874 20 10 DDCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)c(Cl)c1 ZINC001236798848 889360538 /nfs/dbraw/zinc/36/05/38/889360538.db2.gz PSUHKNXRYMXYFP-NOZJJQNGSA-N 0 1 301.770 1.229 20 10 DDCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c(Cl)c1 ZINC001236798848 889360550 /nfs/dbraw/zinc/36/05/50/889360550.db2.gz PSUHKNXRYMXYFP-NOZJJQNGSA-N 0 1 301.770 1.229 20 10 DDCDMN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c(Cl)c1 ZINC001236798859 889361611 /nfs/dbraw/zinc/36/16/11/889361611.db2.gz PSUHKNXRYMXYFP-TVQRCGJNSA-N 0 1 301.770 1.229 20 10 DDCDMN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c(Cl)c1 ZINC001236798859 889361625 /nfs/dbraw/zinc/36/16/25/889361625.db2.gz PSUHKNXRYMXYFP-TVQRCGJNSA-N 0 1 301.770 1.229 20 10 DDCDMN C[C@]1(CO)C[N@@H+](Cc2cc(F)cc(Cl)c2[O-])CC[C@H]1O ZINC001237807446 889863377 /nfs/dbraw/zinc/86/33/77/889863377.db2.gz IVWWHEARELHZOQ-TZMCWYRMSA-N 0 1 303.761 1.750 20 10 DDCDMN CNC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000053492788 407169600 /nfs/dbraw/zinc/16/96/00/407169600.db2.gz GAIVCCFPFNJMLG-UHFFFAOYSA-N 0 1 306.410 1.136 20 10 DDCDMN C[C@]1(C(N)=O)CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000235742441 407722659 /nfs/dbraw/zinc/72/26/59/407722659.db2.gz 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CS(=O)(=O)CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000163760900 525125719 /nfs/dbraw/zinc/12/57/19/525125719.db2.gz SSYZNLKHQSQIQV-UHFFFAOYSA-N 0 1 308.197 1.289 20 10 DDCDMN C[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccc(F)c(F)c1[O-] ZINC000191188523 525338371 /nfs/dbraw/zinc/33/83/71/525338371.db2.gz LQNJUJARZBTLRJ-LBPRGKRZSA-N 0 1 313.392 1.959 20 10 DDCDMN O=C(NC[C@H]1CCC[C@H]1N1CCOCC1)c1cccc(O)c1O ZINC000364831784 526610914 /nfs/dbraw/zinc/61/09/14/526610914.db2.gz VXEMYHYJTRVMKR-TZMCWYRMSA-N 0 1 320.389 1.329 20 10 DDCDMN COc1cc(O)c(C[N@@H+]2C[C@H](C)N(C(=O)[O-])C[C@@H]2C)cc1OC ZINC000833888019 605763111 /nfs/dbraw/zinc/76/31/11/605763111.db2.gz QOHJEBIOISNFPB-QWRGUYRKSA-N 0 1 324.377 1.982 20 10 DDCDMN COc1cc(O)c(C[N@H+]2C[C@H](C)N(C(=O)[O-])C[C@@H]2C)cc1OC ZINC000833888019 605763113 /nfs/dbraw/zinc/76/31/13/605763113.db2.gz QOHJEBIOISNFPB-QWRGUYRKSA-N 0 1 324.377 1.982 20 10 DDCDMN C[C@@H]1[C@H](C)N(C(=O)[O-])CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000833830710 606014034 /nfs/dbraw/zinc/01/40/34/606014034.db2.gz WVJRWRYJXFAAPJ-BFVZDQMLSA-N 0 1 322.361 1.391 20 10 DDCDMN CNC(=O)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000092097951 696592572 /nfs/dbraw/zinc/59/25/72/696592572.db2.gz WABJHDUANJNDIO-INIZCTEOSA-N 0 1 303.406 1.234 20 10 DDCDMN COC(=O)[C@@H]1CN(Cc2c(O)ccc3ccccc32)CCO1 ZINC000103134722 696612796 /nfs/dbraw/zinc/61/27/96/696612796.db2.gz HDDQMWDHYWLBSM-INIZCTEOSA-N 0 1 301.342 1.919 20 10 DDCDMN CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775739689 698028177 /nfs/dbraw/zinc/02/81/77/698028177.db2.gz QJFUBROFZOGHSX-JTQLQIEISA-N 0 1 322.789 1.308 20 10 DDCDMN CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775739689 698028183 /nfs/dbraw/zinc/02/81/83/698028183.db2.gz QJFUBROFZOGHSX-JTQLQIEISA-N 0 1 322.789 1.308 20 10 DDCDMN CNS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000775739689 698028186 /nfs/dbraw/zinc/02/81/86/698028186.db2.gz QJFUBROFZOGHSX-JTQLQIEISA-N 0 1 322.789 1.308 20 10 DDCDMN [O-]c1ccc(Br)cc1C[NH2+]CCCn1cncn1 ZINC000381645586 699065668 /nfs/dbraw/zinc/06/56/68/699065668.db2.gz WADNBRZYEWCAGO-UHFFFAOYSA-N 0 1 311.183 1.926 20 10 DDCDMN [O-]c1cccc(Br)c1C[NH2+]CC1(CO)COC1 ZINC000717573236 699289419 /nfs/dbraw/zinc/28/94/19/699289419.db2.gz DTFLRDSHDVYIKD-UHFFFAOYSA-N 0 1 302.168 1.253 20 10 DDCDMN CO[C@]1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCS(=O)(=O)C1 ZINC000721267166 699312232 /nfs/dbraw/zinc/31/22/32/699312232.db2.gz NGNKUMIWODYIPD-ZDUSSCGKSA-N 0 1 319.810 1.339 20 10 DDCDMN COC(=O)CN(CC(=O)OC)Cc1c(O)ccc(Cl)c1F ZINC000792167671 699679732 /nfs/dbraw/zinc/67/97/32/699679732.db2.gz XXVQOWLHMQLFKP-UHFFFAOYSA-N 0 1 319.716 1.333 20 10 DDCDMN CN(C)c1ccc(CN(C)C(=O)CN(C)CC2(O)CCC2)cc1 ZINC000759876324 700779108 /nfs/dbraw/zinc/77/91/08/700779108.db2.gz KDFFBTBFDRBDAM-UHFFFAOYSA-N 0 1 319.449 1.558 20 10 DDCDMN CCN(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)cc1 ZINC000830864976 706593746 /nfs/dbraw/zinc/59/37/46/706593746.db2.gz IOGPBEBZKZLJKV-HOCLYGCPSA-N 0 1 306.406 1.499 20 10 DDCDMN C[C@H](CN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868371810 702093283 /nfs/dbraw/zinc/09/32/83/702093283.db2.gz HIKBKFBGMXUMRH-KGLIPLIRSA-N 0 1 320.437 1.388 20 10 DDCDMN CO[C@@H]1CC[C@@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000879323975 706649996 /nfs/dbraw/zinc/64/99/96/706649996.db2.gz ZXYQSKNECNSXMZ-RHSMWYFYSA-N 0 1 319.449 1.868 20 10 DDCDMN C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(Br)cc1[O-] ZINC000840834599 702254572 /nfs/dbraw/zinc/25/45/72/702254572.db2.gz WVSXKDRLLVDLFW-IUCAKERBSA-N 0 1 313.195 1.941 20 10 DDCDMN Cc1cc(N(C)C)ccc1CNC(=O)N1CCNC(C)(C)C1 ZINC000841824995 702573345 /nfs/dbraw/zinc/57/33/45/702573345.db2.gz VTNNUGOPDVXEBJ-UHFFFAOYSA-N 0 1 304.438 1.954 20 10 DDCDMN C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000842002156 702652108 /nfs/dbraw/zinc/65/21/08/702652108.db2.gz FEVCWFVVTNXXSA-SFYZADRCSA-N 0 1 316.199 1.690 20 10 DDCDMN COC(=O)[C@H](NCc1cccc(Cl)c1O)c1ccnn1C ZINC000843429385 702879777 /nfs/dbraw/zinc/87/97/77/702879777.db2.gz 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C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000866419459 706694326 /nfs/dbraw/zinc/69/43/26/706694326.db2.gz DFFCGMHCEJRDGG-KOLSJAJHSA-N 0 1 302.168 1.565 20 10 DDCDMN COc1ccc(N(C)CCN(C)C[C@H](O)C(F)(F)F)cc1 ZINC000844400679 703026016 /nfs/dbraw/zinc/02/60/16/703026016.db2.gz GCLFDCKUHUYJOE-ZDUSSCGKSA-N 0 1 306.328 1.986 20 10 DDCDMN CC[N@@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C1CCCC1 ZINC000846238607 703255117 /nfs/dbraw/zinc/25/51/17/703255117.db2.gz MZNDRPKXJZWCPK-UHFFFAOYSA-N 0 1 304.350 1.898 20 10 DDCDMN C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(Cl)cc1[O-] ZINC000850510970 703734734 /nfs/dbraw/zinc/73/47/34/703734734.db2.gz YVCCCVYZBYBNCL-NHYWBVRUSA-N 0 1 315.797 1.864 20 10 DDCDMN CC(C)COc1ccccc1NC[C@H](O)CN1CCN(C)CC1 ZINC000819417334 704122687 /nfs/dbraw/zinc/12/26/87/704122687.db2.gz XVOHQOOBHXQAMH-INIZCTEOSA-N 0 1 321.465 1.742 20 10 DDCDMN O=C(c1cccc(O)c1O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000819968132 704194247 /nfs/dbraw/zinc/19/42/47/704194247.db2.gz 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[O-]c1cccc(Br)c1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764144 706201535 /nfs/dbraw/zinc/20/15/35/706201535.db2.gz VFIIFIVDCBGIMX-AOOOYVTPSA-N 0 1 316.195 1.187 20 10 DDCDMN C[S@@](=N)(=O)N1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000877789662 706214298 /nfs/dbraw/zinc/21/42/98/706214298.db2.gz OGKVVDYNNYDBEE-FQEVSTJZSA-N 0 1 321.805 1.894 20 10 DDCDMN CN(C)c1ccc(Cn2cc([C@@H](N)[C@H]3CCCO3)nn2)cc1 ZINC000881272088 707176170 /nfs/dbraw/zinc/17/61/70/707176170.db2.gz LWUYWLGBFGAHQS-HZPDHXFCSA-N 0 1 301.394 1.571 20 10 DDCDMN CN1CCN(c2ccc(CNC(=O)C3=COCCC3)cc2)CC1 ZINC000881851765 707392409 /nfs/dbraw/zinc/39/24/09/707392409.db2.gz QELPSJPKFCUWRQ-UHFFFAOYSA-N 0 1 315.417 1.749 20 10 DDCDMN COC(C)(C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881851943 707393494 /nfs/dbraw/zinc/39/34/94/707393494.db2.gz UGXVXSVZLZQMCE-UHFFFAOYSA-N 0 1 305.422 1.480 20 10 DDCDMN CN1CCN(c2ccc(CNS(=O)(=O)C3(C)CC3)cc2)CC1 ZINC000882663232 707737878 /nfs/dbraw/zinc/73/78/78/707737878.db2.gz SHMWJNWCCVTFML-UHFFFAOYSA-N 0 1 323.462 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CC(=O)NCC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000308253288 733723106 /nfs/dbraw/zinc/72/31/06/733723106.db2.gz CLEIUYNXDDLVSR-UHFFFAOYSA-N 0 1 301.184 1.723 20 10 DDCDMN CSc1ncc(O)c(C(=O)N2CCc3cccc(O)c3C2)n1 ZINC001185177530 744171953 /nfs/dbraw/zinc/17/19/53/744171953.db2.gz YFSIIRACOMMGMZ-UHFFFAOYSA-N 0 1 317.370 1.808 20 10 DDCDMN COC(=O)c1ccc(O)c(C(=O)NCc2ccccc2O)c1 ZINC001192397630 745784395 /nfs/dbraw/zinc/78/43/95/745784395.db2.gz VXMDRTOIRBPZHU-UHFFFAOYSA-N 0 1 301.298 1.814 20 10 DDCDMN COC(=O)C1(C)CCC([NH2+]CC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001168764684 755510801 /nfs/dbraw/zinc/51/08/01/755510801.db2.gz OKHHDKMIWYTYHK-UHFFFAOYSA-N 0 1 321.373 1.992 20 10 DDCDMN O=C(C[NH2+][C@@H]1CCCC2(C1)OCCO2)c1ccc([O-])c(O)c1 ZINC001169915375 762752267 /nfs/dbraw/zinc/75/22/67/762752267.db2.gz DRBOJDBFVFXLKK-GFCCVEGCSA-N 0 1 307.346 1.556 20 10 DDCDMN C[NH+]1CCC(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001143360262 772278947 /nfs/dbraw/zinc/27/89/47/772278947.db2.gz FYXNVKOQKKJAKH-UHFFFAOYSA-N 0 1 306.362 1.129 20 10 DDCDMN O=C1CN(Cc2cc(Br)c(F)cc2O)CCO1 ZINC001144307752 772476301 /nfs/dbraw/zinc/47/63/01/772476301.db2.gz HJYHZYCNDGRPDX-UHFFFAOYSA-N 0 1 304.115 1.653 20 10 DDCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@]1(O)CCOC1 ZINC000706868934 836682837 /nfs/dbraw/zinc/68/28/37/836682837.db2.gz WIIONOXTEDOUPL-LBPRGKRZSA-N 0 1 302.168 1.396 20 10 DDCDMN Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cn[nH]c2)cc1O ZINC001275821549 853818649 /nfs/dbraw/zinc/81/86/49/853818649.db2.gz TWMBYCHFZFUGDD-GJZGRUSLSA-N 0 1 314.389 1.670 20 10 DDCDMN CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3c([O-])cccc3F)C[C@H]21 ZINC001137834747 859984174 /nfs/dbraw/zinc/98/41/74/859984174.db2.gz RINKOKGTERHQDS-BFQNTYOBSA-N 0 1 322.380 1.504 20 10 DDCDMN COCCN1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138355234 860071472 /nfs/dbraw/zinc/07/14/72/860071472.db2.gz LYEZSKPTANZBPN-UHFFFAOYSA-N 0 1 303.450 1.833 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)CC(=O)N(C)C ZINC001139129339 860298384 /nfs/dbraw/zinc/29/83/84/860298384.db2.gz 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Nc1ccc(CC(=O)N2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000852896798 704165205 /nfs/dbraw/zinc/16/52/05/704165205.db2.gz ILNDGIIZQMCEID-KRWDZBQOSA-N 0 1 317.433 1.525 20 10 DDCDMN C[C@]1(C2CC2)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000853529168 704260542 /nfs/dbraw/zinc/26/05/42/704260542.db2.gz QQAYVBUSLCWSNZ-DOTOQJQBSA-N 0 1 305.374 1.819 20 10 DDCDMN COc1ccc(N(C)CCN(C)C(=O)C2(N(C)C)CC2)cc1 ZINC000855019858 704466365 /nfs/dbraw/zinc/46/63/65/704466365.db2.gz AGCUWJLBYAUGRE-UHFFFAOYSA-N 0 1 305.422 1.684 20 10 DDCDMN COc1ccc(N2CC[C@H](NC(=O)C3(N(C)C)CC3)C2)cc1 ZINC000855223292 704473910 /nfs/dbraw/zinc/47/39/10/704473910.db2.gz GJQZEONEVDNWFC-ZDUSSCGKSA-N 0 1 303.406 1.484 20 10 DDCDMN CCON(C)C(=O)CNCc1c(O)cccc1Br ZINC000858184655 704675112 /nfs/dbraw/zinc/67/51/12/704675112.db2.gz VDKJAMTWZJUVHR-UHFFFAOYSA-N 0 1 317.183 1.654 20 10 DDCDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000874043670 704925178 /nfs/dbraw/zinc/92/51/78/704925178.db2.gz WIDOLEZCLFXLOV-MRXNPFEDSA-N 0 1 310.369 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CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C(=O)[O-])ccc1O ZINC001231564457 885736307 /nfs/dbraw/zinc/73/63/07/885736307.db2.gz VHBXESBBIOMBPE-CHWSQXEVSA-N 0 1 304.346 1.286 20 10 DDCDMN COc1cc(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)cc1O ZINC001231635444 885772408 /nfs/dbraw/zinc/77/24/08/885772408.db2.gz ZBUQWHIIUNJIRP-LBPRGKRZSA-N 0 1 307.268 1.606 20 10 DDCDMN COCCN1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1=O ZINC001231911176 885941006 /nfs/dbraw/zinc/94/10/06/885941006.db2.gz FHPLRTLUQYMUFL-STQMWFEESA-N 0 1 324.808 1.582 20 10 DDCDMN COC(=O)[C@@]1(C)COCCN1Cc1ccc(F)c(F)c1O ZINC001233080650 886776798 /nfs/dbraw/zinc/77/67/98/886776798.db2.gz ZEQBLWKJYSPVCL-CQSZACIVSA-N 0 1 301.289 1.434 20 10 DDCDMN Oc1cc(O)c(CN2CC[C@@H](Oc3cnccn3)C2)cc1O ZINC001233487645 887023820 /nfs/dbraw/zinc/02/38/20/887023820.db2.gz MODJDJIMMGWZMN-LLVKDONJSA-N 0 1 303.318 1.247 20 10 DDCDMN O=C1CN(Cc2cc(F)cc(Br)c2O)CCO1 ZINC001235306200 888540748 /nfs/dbraw/zinc/54/07/48/888540748.db2.gz RZOMXSRVFCGBEI-UHFFFAOYSA-N 0 1 304.115 1.653 20 10 DDCDMN COc1cc([O-])c(C[NH+]2CCC(NC(N)=O)CC2)c(Cl)c1 ZINC001236800231 889361567 /nfs/dbraw/zinc/36/15/67/889361567.db2.gz XEEBQCIMGLYFNC-UHFFFAOYSA-N 0 1 313.785 1.687 20 10 DDCDMN Cc1cccc(O)c1C[N@H+]1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001237485328 889662432 /nfs/dbraw/zinc/66/24/32/889662432.db2.gz OCULVHZDUTVBMI-CYBMUJFWSA-N 0 1 305.296 1.826 20 10 DDCDMN Cc1cccc(O)c1CN1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001237485328 889662440 /nfs/dbraw/zinc/66/24/40/889662440.db2.gz OCULVHZDUTVBMI-CYBMUJFWSA-N 0 1 305.296 1.826 20 10 DDCDMN C[C@](O)(CNCC(=O)c1ccc(O)c(O)c1)c1ccccc1 ZINC001253117615 895644199 /nfs/dbraw/zinc/64/41/99/895644199.db2.gz FIWKDBQKTKVXII-KRWDZBQOSA-N 0 1 301.342 1.778 20 10 DDCDMN CCN(CCC[NH2+]Cc1c([O-])cccc1Cl)S(C)(=O)=O ZINC000083552068 192372042 /nfs/dbraw/zinc/37/20/42/192372042.db2.gz GZZUBZMUIHYLKK-UHFFFAOYSA-N 0 1 320.842 1.807 20 10 DDCDMN CC(C)CN1CCO[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000236777669 202003926 /nfs/dbraw/zinc/00/39/26/202003926.db2.gz 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Nc1ccc(CC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 ZINC000195153058 222191590 /nfs/dbraw/zinc/19/15/90/222191590.db2.gz KQZDBGFZWISNIC-UHFFFAOYSA-N 0 1 324.428 1.987 20 10 DDCDMN O=S1(=O)CC[C@H]2CN(Cc3c(O)ccc(Cl)c3F)C[C@H]21 ZINC000377701539 418713418 /nfs/dbraw/zinc/71/34/18/418713418.db2.gz TZGCAWOXXCZLNL-QPUJVOFHSA-N 0 1 319.785 1.804 20 10 DDCDMN COc1ccc(O)c(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)c1 ZINC000378109446 418719001 /nfs/dbraw/zinc/71/90/01/418719001.db2.gz JEAVXBCQYSOFQB-NSHDSACASA-N 0 1 316.361 1.481 20 10 DDCDMN COc1ccc(CNC(=O)[C@@]2(N(C)C)CCCSC2)c(O)c1 ZINC000365584869 418878780 /nfs/dbraw/zinc/87/87/80/418878780.db2.gz GDHPDMDFNIXFIO-MRXNPFEDSA-N 0 1 324.446 1.844 20 10 DDCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000278468583 274090164 /nfs/dbraw/zinc/09/01/64/274090164.db2.gz GTCLSRDLGVYLKC-AOUSDQRYSA-N 0 1 316.379 1.508 20 10 DDCDMN COc1cc(O)c(CN(C)[C@@H](C)C[S@](C)=O)cc1OC ZINC000131133681 522772705 /nfs/dbraw/zinc/77/27/05/522772705.db2.gz 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/nfs/dbraw/zinc/24/48/15/699244815.db2.gz JHOXMAJUQOAOTD-UHFFFAOYSA-N 0 1 313.195 1.771 20 10 DDCDMN CCNC(=O)[C@H](C)NCc1c(O)cccc1Br ZINC000706863799 699244833 /nfs/dbraw/zinc/24/48/33/699244833.db2.gz NPQJJZMRANVJJD-QMMMGPOBSA-N 0 1 301.184 1.769 20 10 DDCDMN CCNC(=O)[C@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706863799 699244836 /nfs/dbraw/zinc/24/48/36/699244836.db2.gz NPQJJZMRANVJJD-QMMMGPOBSA-N 0 1 301.184 1.769 20 10 DDCDMN COc1ccc(N2CCC(NC(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000726627082 699371408 /nfs/dbraw/zinc/37/14/08/699371408.db2.gz DMIAPNQZCGKIIA-QGZVFWFLSA-N 0 1 317.433 1.874 20 10 DDCDMN Cc1cc(C(=O)NCc2nn[nH]n2)c(C)n1-c1ccccc1C ZINC000731873109 699539369 /nfs/dbraw/zinc/53/93/69/699539369.db2.gz LKAVSTRAORYGRD-UHFFFAOYSA-N 0 1 310.361 1.846 20 10 DDCDMN CN(CC(=O)N1CCOCC1)Cc1c(O)ccc2ccncc21 ZINC000732179018 699548857 /nfs/dbraw/zinc/54/88/57/699548857.db2.gz LLFKNMXPRSLKDJ-UHFFFAOYSA-N 0 1 315.373 1.231 20 10 DDCDMN C[C@@H]1CCCCC[N@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 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COC(=O)[C@@H](NC(=O)CN(C)Cc1ccccc1O)C(C)C ZINC000809961060 701706211 /nfs/dbraw/zinc/70/62/11/701706211.db2.gz MEWJYGJNYXPXAS-HNNXBMFYSA-N 0 1 308.378 1.138 20 10 DDCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1[O-] ZINC000839652686 701766616 /nfs/dbraw/zinc/76/66/16/701766616.db2.gz ZKZCTKRPCRIGMS-XHDPSFHLSA-N 0 1 311.353 1.611 20 10 DDCDMN C[C@@H](NC(=O)NCCCCN1CCOCC1)c1ccccc1O ZINC000868102024 701941282 /nfs/dbraw/zinc/94/12/82/701941282.db2.gz HHHAZMRYLPJXRP-CQSZACIVSA-N 0 1 321.421 1.865 20 10 DDCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1CS(=O)(=O)C1 ZINC000868357631 702081370 /nfs/dbraw/zinc/08/13/70/702081370.db2.gz CKLLKQMRYKJABT-UHFFFAOYSA-N 0 1 324.185 1.360 20 10 DDCDMN CC(C)(C[NH2+]Cc1ccc2ccccc2c1[O-])NS(C)(=O)=O ZINC000816547409 702111243 /nfs/dbraw/zinc/11/12/43/702111243.db2.gz VEXVLVKCMVUKMC-UHFFFAOYSA-N 0 1 322.430 1.963 20 10 DDCDMN C[C@@H]1C[C@@H](CO)CN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000817278468 702325729 /nfs/dbraw/zinc/32/57/29/702325729.db2.gz 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ZINC000854568742 704419172 /nfs/dbraw/zinc/41/91/72/704419172.db2.gz FFNZOLNJHXNRAC-GFCCVEGCSA-N 0 1 320.389 1.423 20 10 DDCDMN Cc1cc(Br)c(O)c(C[NH2+]CCOCC(=O)[O-])c1 ZINC000874042290 704924462 /nfs/dbraw/zinc/92/44/62/704924462.db2.gz BESMNCGNEZZXTM-UHFFFAOYSA-N 0 1 318.167 1.654 20 10 DDCDMN CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000824677709 705504368 /nfs/dbraw/zinc/50/43/68/705504368.db2.gz IFCGGOUBGWCEDG-NSHDSACASA-N 0 1 306.815 1.463 20 10 DDCDMN COCC[N@H+]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000825755792 705726778 /nfs/dbraw/zinc/72/67/78/705726778.db2.gz AQVQBUYTCWQORR-JTQLQIEISA-N 0 1 312.341 1.078 20 10 DDCDMN COCC[N@H+]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000825755792 705726781 /nfs/dbraw/zinc/72/67/81/705726781.db2.gz AQVQBUYTCWQORR-JTQLQIEISA-N 0 1 312.341 1.078 20 10 DDCDMN Cc1nc(CN2CCN(Cc3c(C)cccc3O)CC2)no1 ZINC000876715204 705834783 /nfs/dbraw/zinc/83/47/83/705834783.db2.gz LJGWCEKOCDRUBH-UHFFFAOYSA-N 0 1 302.378 1.710 20 10 DDCDMN 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JJIOOIHQCVSSJY-HNNXBMFYSA-N 0 1 303.362 1.492 20 10 DDCDMN Cc1cc(CNCc2ccc(N3CCOCC3)c(F)c2)n(C)n1 ZINC000790601854 699468627 /nfs/dbraw/zinc/46/86/27/699468627.db2.gz PXDGBYVFGBYTOH-UHFFFAOYSA-N 0 1 318.396 1.994 20 10 DDCDMN CCC[N@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)CC1CC1 ZINC000737828762 699745589 /nfs/dbraw/zinc/74/55/89/699745589.db2.gz UYRQYUDVGXBUQI-UHFFFAOYSA-N 0 1 304.350 1.755 20 10 DDCDMN CCN1CCN(CC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000742247358 699870131 /nfs/dbraw/zinc/87/01/31/699870131.db2.gz AIMTZYDCFPDHNP-UHFFFAOYSA-N 0 1 322.428 1.145 20 10 DDCDMN COC(=O)C[C@H]1COCCN1Cc1cc(Cl)cc(F)c1O ZINC000809772864 701688710 /nfs/dbraw/zinc/68/87/10/701688710.db2.gz BOUQBDTWQIVLPW-NSHDSACASA-N 0 1 317.744 1.949 20 10 DDCDMN CN(C)c1ccc(CN2CCC(NS(C)(=O)=O)CC2)cc1 ZINC000768229850 701164561 /nfs/dbraw/zinc/16/45/61/701164561.db2.gz NNKAIJISKNWOIH-UHFFFAOYSA-N 0 1 311.451 1.266 20 10 DDCDMN C[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc(Br)ccc1[O-] ZINC000840832379 702254288 /nfs/dbraw/zinc/25/42/88/702254288.db2.gz CEXWTHHFMIWJQF-BDAKNGLRSA-N 0 1 313.195 1.941 20 10 DDCDMN CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000840921043 702280450 /nfs/dbraw/zinc/28/04/50/702280450.db2.gz MJOSHPOYSGYSAH-OAHLLOKOSA-N 0 1 311.451 1.185 20 10 DDCDMN CC(C)NC(=O)[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000840974793 702297646 /nfs/dbraw/zinc/29/76/46/702297646.db2.gz OOYJXWMXCPTSSJ-CYBMUJFWSA-N 0 1 323.412 1.665 20 10 DDCDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841295768 702416863 /nfs/dbraw/zinc/41/68/63/702416863.db2.gz FUKXPBHUNIZWBM-LBPRGKRZSA-N 0 1 306.410 1.578 20 10 DDCDMN C[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccc(Br)cc1[O-] ZINC000817982578 702542810 /nfs/dbraw/zinc/54/28/10/702542810.db2.gz GJTNLFGJZNVAME-MWLCHTKSSA-N 0 1 315.211 1.794 20 10 DDCDMN CCC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCN1CCOC ZINC000844205505 702991697 /nfs/dbraw/zinc/99/16/97/702991697.db2.gz YZXVTZYOMUZGSB-QGZVFWFLSA-N 0 1 319.449 1.771 20 10 DDCDMN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844839766 703078071 /nfs/dbraw/zinc/07/80/71/703078071.db2.gz VHUAMKMDVLXSJN-AWEZNQCLSA-N 0 1 307.394 1.164 20 10 DDCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000844839766 703078073 /nfs/dbraw/zinc/07/80/73/703078073.db2.gz VHUAMKMDVLXSJN-AWEZNQCLSA-N 0 1 307.394 1.164 20 10 DDCDMN C[C@H](CN1CCOCC1)C(=O)NCc1cc(Cl)ccc1O ZINC000846473948 703280906 /nfs/dbraw/zinc/28/09/06/703280906.db2.gz OPXHLUMTCKQGNU-LLVKDONJSA-N 0 1 312.797 1.630 20 10 DDCDMN C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(Cl)ccc1[O-] ZINC000850508791 703734401 /nfs/dbraw/zinc/73/44/01/703734401.db2.gz OHTOJJGOQGGTAP-ABAIWWIYSA-N 0 1 315.797 1.864 20 10 DDCDMN COc1ccc(N2CCN(C(=O)c3ccn[nH]3)CC2)c(OC)c1 ZINC000870164134 703939578 /nfs/dbraw/zinc/93/95/78/703939578.db2.gz OVHOSKCDEJMDRO-UHFFFAOYSA-N 0 1 316.361 1.389 20 10 DDCDMN C[N@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)C[C@H]1CC1(C)C ZINC000853084947 704193481 /nfs/dbraw/zinc/19/34/81/704193481.db2.gz PLVASLKGKZVUBH-SECBINFHSA-N 0 1 304.350 1.611 20 10 DDCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCc1nn[nH]n1 ZINC000874231258 704973415 /nfs/dbraw/zinc/97/34/15/704973415.db2.gz ILPKGYUCWJKHON-UHFFFAOYSA-N 0 1 316.409 1.637 20 10 DDCDMN CCN(CC)c1ccc(CNC(=O)C2=NC(=O)N(C)C2)cc1 ZINC000822601629 704984887 /nfs/dbraw/zinc/98/48/87/704984887.db2.gz BCNDWBKQGSQGIV-UHFFFAOYSA-N 0 1 302.378 1.902 20 10 DDCDMN C[C@H](NC(=O)NCCN1CC[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000875507884 705413257 /nfs/dbraw/zinc/41/32/57/705413257.db2.gz MOEMXPNIEHZJFG-XJKSGUPXSA-N 0 1 320.437 1.179 20 10 DDCDMN C[C@H](O)CN1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862238594 705685401 /nfs/dbraw/zinc/68/54/01/705685401.db2.gz BKRKZFXWFANDCA-LBPRGKRZSA-N 0 1 313.392 1.529 20 10 DDCDMN C[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCN1CCO ZINC000862334094 705697880 /nfs/dbraw/zinc/69/78/80/705697880.db2.gz YTNFXYOBVOLKFW-GFCCVEGCSA-N 0 1 313.392 1.529 20 10 DDCDMN CCN(CC)C(=O)CN1CCN(Cc2ccc(C)cc2O)CC1 ZINC000876552786 705755344 /nfs/dbraw/zinc/75/53/44/705755344.db2.gz FEPDZIJFCKERQD-UHFFFAOYSA-N 0 1 319.449 1.687 20 10 DDCDMN CCN(CC)c1ccc(CN(C)C(=O)[C@]2(C)CNCCO2)cc1 ZINC000876714430 705834756 /nfs/dbraw/zinc/83/47/56/705834756.db2.gz XTWWJDRFVSDNKJ-SFHVURJKSA-N 0 1 319.449 1.870 20 10 DDCDMN CN1CCCc2cc(CNC(=O)[C@@]3(C)CNCCO3)ccc21 ZINC000876741376 705852051 /nfs/dbraw/zinc/85/20/51/705852051.db2.gz UAUDVFDXRJLMNU-QGZVFWFLSA-N 0 1 303.406 1.064 20 10 DDCDMN CN1C(=O)[C@H]2C[N@@H+](Cc3c([O-])ccc(Cl)c3F)C[C@H]2C1=O ZINC000877719742 706188241 /nfs/dbraw/zinc/18/82/41/706188241.db2.gz GUMRBIMWBRNAID-OCAPTIKFSA-N 0 1 312.728 1.231 20 10 DDCDMN [O-]c1c(Br)cccc1C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764404 706201283 /nfs/dbraw/zinc/20/12/83/706201283.db2.gz DEYQAPHLEMEBRX-PHIMTYICSA-N 0 1 316.195 1.187 20 10 DDCDMN CN(C)c1ccc(/C=C/CNCCS(=O)(=O)N(C)C)cc1 ZINC000835055479 707162955 /nfs/dbraw/zinc/16/29/55/707162955.db2.gz KSKOHYAONHMUBI-AATRIKPKSA-N 0 1 311.451 1.247 20 10 DDCDMN Cc1cc(Cn2cc([C@H](N)[C@@H]3CCCO3)nn2)ccc1N(C)C ZINC000881377702 707223405 /nfs/dbraw/zinc/22/34/05/707223405.db2.gz SPVIMDKJXUTTGZ-IRXDYDNUSA-N 0 1 315.421 1.880 20 10 DDCDMN CS(=O)(=O)C[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 ZINC000897596601 708387412 /nfs/dbraw/zinc/38/74/12/708387412.db2.gz XMWRHKVMVVOQKA-NSHDSACASA-N 0 1 319.810 1.291 20 10 DDCDMN CCN1CC(=O)N[C@@H]1c1cc(Br)cc(F)c1O ZINC000887329665 709019138 /nfs/dbraw/zinc/01/91/38/709019138.db2.gz LYYYFFZAYMRAQS-NSHDSACASA-N 0 1 303.131 1.744 20 10 DDCDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910957089 710130154 /nfs/dbraw/zinc/13/01/54/710130154.db2.gz PMRXVURQTNGBFQ-PSLIRLAXSA-N 0 1 301.346 1.803 20 10 DDCDMN CCC(=O)N1CCCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891744211 710281169 /nfs/dbraw/zinc/28/11/69/710281169.db2.gz OMYDIRPSLDZSFL-UHFFFAOYSA-N 0 1 322.405 1.854 20 10 DDCDMN Cc1nc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000894283265 711051586 /nfs/dbraw/zinc/05/15/86/711051586.db2.gz BQKBXSDBGWFVHV-SNVBAGLBSA-N 0 1 302.382 1.740 20 10 DDCDMN C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)CN1C)c1ccc(N(C)C)cc1 ZINC000907494031 712585522 /nfs/dbraw/zinc/58/55/22/712585522.db2.gz WWSFHTBZWGCFKN-XGWLTEMNSA-N 0 1 305.422 1.385 20 10 DDCDMN CCC[C@@H](O)CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000918857088 713569194 /nfs/dbraw/zinc/56/91/94/713569194.db2.gz IRNNGQJMECXEAR-QGZVFWFLSA-N 0 1 319.449 1.606 20 10 DDCDMN CCN1CC[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000925095356 714747477 /nfs/dbraw/zinc/74/74/77/714747477.db2.gz HSYUYQOOYCUWCE-ZDUSSCGKSA-N 0 1 303.362 1.251 20 10 DDCDMN Cc1ccc(C)n1-c1ccc(-c2noc(C3(N)CNC3)n2)cc1 ZINC001212127226 743245843 /nfs/dbraw/zinc/24/58/43/743245843.db2.gz YKIGICXCENNDST-UHFFFAOYSA-N 0 1 309.373 1.901 20 10 DDCDMN CSCC[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)C(N)=O ZINC001193633631 746156583 /nfs/dbraw/zinc/15/65/83/746156583.db2.gz CFLYJSPGUKCKQY-QMMMGPOBSA-N 0 1 318.782 1.088 20 10 DDCDMN COc1ccc(N(CC(=O)N2CCNCC2)CC2CC2)cc1 ZINC001118994748 756884341 /nfs/dbraw/zinc/88/43/41/756884341.db2.gz ZDCAAVAWPQWGLH-UHFFFAOYSA-N 0 1 303.406 1.343 20 10 DDCDMN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCN2CCCO)cc1 ZINC001039061609 761701952 /nfs/dbraw/zinc/70/19/52/761701952.db2.gz SGRWPOXWEKEMGV-CYBMUJFWSA-N 0 1 319.365 1.036 20 10 DDCDMN O=C([C@H]1CC2CCN1CC2)N1CCCc2cc(O)c(O)cc2C1 ZINC001142629729 861204356 /nfs/dbraw/zinc/20/43/56/861204356.db2.gz QDNAMKYRUXJODZ-OAHLLOKOSA-N 0 1 316.401 1.857 20 10 DDCDMN O=C1N(C2COC2)CC[C@]12CCC[N@@H+]2Cc1cc(O)ccc1O ZINC001272385761 846089873 /nfs/dbraw/zinc/08/98/73/846089873.db2.gz DUCSFEJMZDXPCE-QGZVFWFLSA-N 0 1 318.373 1.064 20 10 DDCDMN O=C1N(C2COC2)CC[C@]12CCCN2Cc1cc(O)ccc1O ZINC001272385761 846089878 /nfs/dbraw/zinc/08/98/78/846089878.db2.gz DUCSFEJMZDXPCE-QGZVFWFLSA-N 0 1 318.373 1.064 20 10 DDCDMN C[C@@]1(CO)CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C[C@H]1O ZINC001237933677 846713923 /nfs/dbraw/zinc/71/39/23/846713923.db2.gz FWDZVRCZKFTLGF-KGLIPLIRSA-N 0 1 303.761 1.750 20 10 DDCDMN CN1CC2(CN(Cc3cc(F)cc(Cl)c3O)C2)OCC1=O ZINC001274441624 852270216 /nfs/dbraw/zinc/27/02/16/852270216.db2.gz FRNOQCRDXQHYCM-UHFFFAOYSA-N 0 1 314.744 1.228 20 10 DDCDMN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CN2CCN1C[C@H]2C ZINC001123762047 859401447 /nfs/dbraw/zinc/40/14/47/859401447.db2.gz XQMYOPMQHPBLEK-ZBFHGGJFSA-N 0 1 317.433 1.519 20 10 DDCDMN CC(=O)NC1CN(Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129007 860298398 /nfs/dbraw/zinc/29/83/98/860298398.db2.gz KMNNSSXKJUFLQP-UHFFFAOYSA-N 0 1 302.330 1.127 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001139130433 860298980 /nfs/dbraw/zinc/29/89/80/860298980.db2.gz FCEUYXPOVSKFDP-BETUJISGSA-N 0 1 314.385 1.800 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001139130433 860298989 /nfs/dbraw/zinc/29/89/89/860298989.db2.gz FCEUYXPOVSKFDP-BETUJISGSA-N 0 1 314.385 1.800 20 10 DDCDMN CC(=O)N(C)C1C[NH+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C1 ZINC001139129257 860299180 /nfs/dbraw/zinc/29/91/80/860299180.db2.gz SOYGUIRYHRYVHH-UHFFFAOYSA-N 0 1 316.357 1.470 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)[C@H]1CCN(C)C1 ZINC001139129337 860299354 /nfs/dbraw/zinc/29/93/54/860299354.db2.gz WGXSAOZQTFWXEQ-LBPRGKRZSA-N 0 1 302.374 1.943 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN(C)[C@H]1CC[N@H+](C)C1 ZINC001139129337 860299359 /nfs/dbraw/zinc/29/93/59/860299359.db2.gz WGXSAOZQTFWXEQ-LBPRGKRZSA-N 0 1 302.374 1.943 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN(C)[C@H]1CC[N@@H+](C)C1 ZINC001139129337 860299363 /nfs/dbraw/zinc/29/93/63/860299363.db2.gz WGXSAOZQTFWXEQ-LBPRGKRZSA-N 0 1 302.374 1.943 20 10 DDCDMN CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC001331551649 865150304 /nfs/dbraw/zinc/15/03/04/865150304.db2.gz DWHDSEOCKAMRTN-LLVKDONJSA-N 0 1 320.361 1.184 20 10 DDCDMN CCOC[C@@H]1Cn2nccc2CN(Cc2ccc(O)cc2O)C1 ZINC001204273679 871032383 /nfs/dbraw/zinc/03/23/83/871032383.db2.gz FEVIZJXZKNIVKO-ZDUSSCGKSA-N 0 1 317.389 1.963 20 10 DDCDMN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cc(O)c(O)c(OC)c1)C2 ZINC001204345168 871066371 /nfs/dbraw/zinc/06/63/71/871066371.db2.gz IOSOGEVWUQSOTG-UHTWSYAYSA-N 0 1 321.373 1.880 20 10 DDCDMN CN1CCO[C@@]2(CCC[N@@H+](Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001276471422 871135114 /nfs/dbraw/zinc/13/51/14/871135114.db2.gz WRNWUHWTFWWEOK-INIZCTEOSA-N 0 1 312.360 1.967 20 10 DDCDMN Cc1c([O-])cc2c(c1OC1C[NH2+]C1)C(=O)c1ccccc1C2=O ZINC001218052260 877384573 /nfs/dbraw/zinc/38/45/73/877384573.db2.gz GCJUDUKBNVDLIK-UHFFFAOYSA-N 0 1 309.321 1.827 20 10 DDCDMN CN1CCO[C@]2(CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC001276856808 880786408 /nfs/dbraw/zinc/78/64/08/880786408.db2.gz JLHYXNZLBWLEKC-MRXNPFEDSA-N 0 1 312.360 1.967 20 10 DDCDMN O=C1OCC[C@@H]1Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229191500 883864491 /nfs/dbraw/zinc/86/44/91/883864491.db2.gz BGMPZNMDKQEWDU-HNNXBMFYSA-N 0 1 324.288 1.862 20 10 DDCDMN CC[C@H]1N(Cc2cc(O)c(O)c(O)c2)CCC[C@]12CCC(=O)N2 ZINC001233011449 886725925 /nfs/dbraw/zinc/72/59/25/886725925.db2.gz HOYAUUPVMGTMIA-PBHICJAKSA-N 0 1 320.389 1.827 20 10 DDCDMN COC(=O)[C@@]12COC[C@@H]1C[N@@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001233332226 886929499 /nfs/dbraw/zinc/92/94/99/886929499.db2.gz CYLMROQUWOKMNX-VFZGTOFNSA-N 0 1 313.300 1.292 20 10 DDCDMN C[C@]1(O)COCC[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416123 886985410 /nfs/dbraw/zinc/98/54/10/886985410.db2.gz WVSBGWUVKQTJCP-CYBMUJFWSA-N 0 1 305.296 1.994 20 10 DDCDMN CN1C[C@@]2(CC1=O)CCCCN2Cc1cc(O)c(O)cc1O ZINC001233483659 887015514 /nfs/dbraw/zinc/01/55/14/887015514.db2.gz HIKHNXCWPOPHEE-INIZCTEOSA-N 0 1 306.362 1.390 20 10 DDCDMN C[N@H+](Cc1cc(F)cc(Br)c1[O-])C[C@H](O)CO ZINC001235294039 888533114 /nfs/dbraw/zinc/53/31/14/888533114.db2.gz LTZZJOOHGWCJFI-VIFPVBQESA-N 0 1 308.147 1.079 20 10 DDCDMN CC(C)c1ccc(CN2CCN(CC(=O)N(C)C)CC2)c(O)c1 ZINC001237053916 889485001 /nfs/dbraw/zinc/48/50/01/889485001.db2.gz RADGTKVFRBPQIT-UHFFFAOYSA-N 0 1 319.449 1.721 20 10 DDCDMN COC(=O)CO[C@H]1CC[N@@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237944795 889948658 /nfs/dbraw/zinc/94/86/58/889948658.db2.gz WKOGWTSZXBIBQO-JTQLQIEISA-N 0 1 317.744 1.949 20 10 DDCDMN O=S(=O)(NCc1ccc(O)c(O)c1)c1c(F)cccc1F ZINC001259071525 898450692 /nfs/dbraw/zinc/45/06/92/898450692.db2.gz AVEHNIXWARLMBO-UHFFFAOYSA-N 0 1 315.297 1.855 20 10 DDCDMN O=S(=O)(Nc1ccc(O)cc1O)c1ccc2c(c1)OCO2 ZINC001259843348 898858869 /nfs/dbraw/zinc/85/88/69/898858869.db2.gz LNCUPPHJHKAWBX-UHFFFAOYSA-N 0 1 309.299 1.627 20 10 DDCDMN COc1ccc(O)c(CN2CCN(c3ncc(F)cn3)CC2)c1 ZINC000273693038 130153658 /nfs/dbraw/zinc/15/36/58/130153658.db2.gz BRDJMRWCLQDRDX-UHFFFAOYSA-N 0 1 318.352 1.652 20 10 DDCDMN CC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@H](C)C1 ZINC000289534844 131393348 /nfs/dbraw/zinc/39/33/48/131393348.db2.gz HVKNRQOZDIGTMI-LLVKDONJSA-N 0 1 309.366 1.835 20 10 DDCDMN CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])[C@H](C)C1 ZINC000289534844 131393349 /nfs/dbraw/zinc/39/33/49/131393349.db2.gz HVKNRQOZDIGTMI-LLVKDONJSA-N 0 1 309.366 1.835 20 10 DDCDMN COC[C@H]1CNCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001120529970 782006254 /nfs/dbraw/zinc/00/62/54/782006254.db2.gz UKRXYVIZMFBHJI-XJKSGUPXSA-N 0 1 320.437 1.443 20 10 DDCDMN CCC(=O)N1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000128727959 407565964 /nfs/dbraw/zinc/56/59/64/407565964.db2.gz ACDKSHMNUPPVDM-UHFFFAOYSA-N 0 1 306.362 1.565 20 10 DDCDMN NC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000271407191 407674478 /nfs/dbraw/zinc/67/44/78/407674478.db2.gz WXARIULHJKVUIO-VIFPVBQESA-N 0 1 314.729 1.196 20 10 DDCDMN NC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000271407191 407674479 /nfs/dbraw/zinc/67/44/79/407674479.db2.gz WXARIULHJKVUIO-VIFPVBQESA-N 0 1 314.729 1.196 20 10 DDCDMN CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000138263473 408165526 /nfs/dbraw/zinc/16/55/26/408165526.db2.gz FCAXPHSTEQMXTE-CYBMUJFWSA-N 0 1 320.414 1.669 20 10 DDCDMN C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H](C(N)=O)O1 ZINC000191444412 222102064 /nfs/dbraw/zinc/10/20/64/222102064.db2.gz COTBRHICXHFRMP-HQJQHLMTSA-N 0 1 302.733 1.259 20 10 DDCDMN CC[C@@H](CO)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 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CC(C)N1CCO[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000376780569 418700592 /nfs/dbraw/zinc/70/05/92/418700592.db2.gz XSMFCRWBVONAOP-MRXNPFEDSA-N 0 1 323.412 1.617 20 10 DDCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1COCCN1 ZINC000530182373 421584072 /nfs/dbraw/zinc/58/40/72/421584072.db2.gz VDNRDUKXGXUQGB-NSHDSACASA-N 0 1 301.184 1.233 20 10 DDCDMN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ncc[nH]1 ZINC000632051320 422050774 /nfs/dbraw/zinc/05/07/74/422050774.db2.gz JGDXSIPCTGLDTQ-UHFFFAOYSA-N 0 1 308.363 1.063 20 10 DDCDMN Nc1ccc(CC(=O)NC2CCN(Cc3ccccn3)CC2)cc1 ZINC000263253207 527476667 /nfs/dbraw/zinc/47/66/67/527476667.db2.gz KAYVLXLRUDXNLA-UHFFFAOYSA-N 0 1 324.428 1.987 20 10 DDCDMN COc1ccc(O)c(C[NH2+]Cc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821837321 599440846 /nfs/dbraw/zinc/44/08/46/599440846.db2.gz CKOPZGUEENSCGG-UHFFFAOYSA-N 0 1 301.306 1.464 20 10 DDCDMN CN(C)c1ccc(C[N@H+](C)CN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000833695362 605170020 /nfs/dbraw/zinc/17/00/20/605170020.db2.gz MVCCEEGZWXWUGW-ZDUSSCGKSA-N 0 1 305.378 1.075 20 10 DDCDMN CN(C)c1ccc(C[N@@H+](C)CN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000833695362 605170024 /nfs/dbraw/zinc/17/00/24/605170024.db2.gz MVCCEEGZWXWUGW-ZDUSSCGKSA-N 0 1 305.378 1.075 20 10 DDCDMN O=C([O-])N1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000834111123 605501091 /nfs/dbraw/zinc/50/10/91/605501091.db2.gz ZJCWDAVYVOVMQU-CYBMUJFWSA-N 0 1 308.334 1.004 20 10 DDCDMN CNC(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000122710875 696724312 /nfs/dbraw/zinc/72/43/12/696724312.db2.gz RZYGFNYGVFLUMT-UHFFFAOYSA-N 0 1 308.353 1.692 20 10 DDCDMN CCN(CC)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000049740671 696226146 /nfs/dbraw/zinc/22/61/46/696226146.db2.gz BJUAULRRRCVMJU-UHFFFAOYSA-N 0 1 304.438 1.990 20 10 DDCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@](C)(O)C2)cc1 ZINC000124511594 696743720 /nfs/dbraw/zinc/74/37/20/696743720.db2.gz ZCRZSZSOPMDVKQ-SFHVURJKSA-N 0 1 319.449 1.558 20 10 DDCDMN CN(C)c1ccc(CNC[C@@H]2CCCS2(=O)=O)cc1F ZINC000131811545 696809029 /nfs/dbraw/zinc/80/90/29/696809029.db2.gz ZYCOEMGPWCLECS-LBPRGKRZSA-N 0 1 300.399 1.559 20 10 DDCDMN NC(=O)[C@@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000162030391 697325972 /nfs/dbraw/zinc/32/59/72/697325972.db2.gz RRAGRBBBKPUDMN-INIZCTEOSA-N 0 1 303.406 1.363 20 10 DDCDMN CS(=O)(=O)[C@@H]1CCN(Cc2c(O)ccc3ccncc32)C1 ZINC000799947664 700176469 /nfs/dbraw/zinc/17/64/69/700176469.db2.gz IKTKLNJALUUBHG-GFCCVEGCSA-N 0 1 306.387 1.559 20 10 DDCDMN CCOC(=O)c1cc(NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000779546469 698433341 /nfs/dbraw/zinc/43/33/41/698433341.db2.gz YFMAVBPDAYISDF-XQRVVYSFSA-N 0 1 317.301 1.650 20 10 DDCDMN O=C1NCCCC[C@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000706852017 699245106 /nfs/dbraw/zinc/24/51/06/699245106.db2.gz IZRTVZNXJJBEQL-LLVKDONJSA-N 0 1 313.195 1.913 20 10 DDCDMN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000787994673 699265142 /nfs/dbraw/zinc/26/51/42/699265142.db2.gz DZKKBBNDAHNRLT-TZMCWYRMSA-N 0 1 308.353 1.738 20 10 DDCDMN O=C1OCC[C@@H]2CN(Cc3cc4c(cc3O)CCC4)CCN12 ZINC000763322252 700934203 /nfs/dbraw/zinc/93/42/03/700934203.db2.gz RWTRKLMDYXIFPP-OAHLLOKOSA-N 0 1 302.374 1.907 20 10 DDCDMN CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000764620982 700978957 /nfs/dbraw/zinc/97/89/57/700978957.db2.gz RJNHMNHPMLPVQL-QWHCGFSZSA-N 0 1 323.412 1.838 20 10 DDCDMN CCS(=O)(=O)NCCC[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840886687 702271154 /nfs/dbraw/zinc/27/11/54/702271154.db2.gz MJYYJQWSAGESES-UHFFFAOYSA-N 0 1 320.842 1.773 20 10 DDCDMN COCC(COC)N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000840954173 702292302 /nfs/dbraw/zinc/29/23/02/702292302.db2.gz IAYLLTZCHWSVSZ-UHFFFAOYSA-N 0 1 324.421 1.180 20 10 DDCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000840957145 702293675 /nfs/dbraw/zinc/29/36/75/702293675.db2.gz GBFAOMLBMNFEBK-NSHDSACASA-N 0 1 323.349 1.219 20 10 DDCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000840957145 702293678 /nfs/dbraw/zinc/29/36/78/702293678.db2.gz GBFAOMLBMNFEBK-NSHDSACASA-N 0 1 323.349 1.219 20 10 DDCDMN CCN1C[C@@H](C)N(C(=O)NCCc2ccc(N)cc2)C[C@@H]1C ZINC000841958423 702635651 /nfs/dbraw/zinc/63/56/51/702635651.db2.gz FUSOJAZAUMTBOS-UONOGXRCSA-N 0 1 304.438 1.935 20 10 DDCDMN CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ncccc2[O-])cc1 ZINC000843296566 702855710 /nfs/dbraw/zinc/85/57/10/702855710.db2.gz BCLKCUIZBFZXJS-ZDUSSCGKSA-N 0 1 300.362 1.283 20 10 DDCDMN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844838876 703077960 /nfs/dbraw/zinc/07/79/60/703077960.db2.gz JBGJBLDNHHIGCR-HNNXBMFYSA-N 0 1 321.421 1.506 20 10 DDCDMN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844838876 703077962 /nfs/dbraw/zinc/07/79/62/703077962.db2.gz JBGJBLDNHHIGCR-HNNXBMFYSA-N 0 1 321.421 1.506 20 10 DDCDMN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000847695904 703454022 /nfs/dbraw/zinc/45/40/22/703454022.db2.gz IREVISUQXMCXHE-QWRGUYRKSA-N 0 1 303.362 1.747 20 10 DDCDMN COc1c([O-])c(CN[C@@H](C[NH3+])C(F)(F)F)ccc1[N+](=O)[O-] ZINC000848714399 703579464 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C[C@H]1COCCN1C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000854568743 704419226 /nfs/dbraw/zinc/41/92/26/704419226.db2.gz FFNZOLNJHXNRAC-LBPRGKRZSA-N 0 1 320.389 1.423 20 10 DDCDMN COc1ccc(N2CC[C@@H](NC(=O)Cc3n[nH]c(C)n3)C2)cc1 ZINC000855225208 704474032 /nfs/dbraw/zinc/47/40/32/704474032.db2.gz PBXZQXOUEZRVJW-GFCCVEGCSA-N 0 1 315.377 1.059 20 10 DDCDMN CCC[C@@H](O)[C@H](CO)[NH2+]Cc1c([O-])cccc1Br ZINC000858176716 704673882 /nfs/dbraw/zinc/67/38/82/704673882.db2.gz FXRRIWCCLJEGDP-WCQYABFASA-N 0 1 318.211 1.766 20 10 DDCDMN C[C@H](C(=O)NCc1cc(Br)ccc1O)N(C)C ZINC000822898353 705077317 /nfs/dbraw/zinc/07/73/17/705077317.db2.gz GAQUHIXOIQFHKE-MRVPVSSYSA-N 0 1 301.184 1.721 20 10 DDCDMN CN(C)c1ccc(CNC(=O)[C@H]2CCCc3n[nH]nc32)cc1F ZINC000824669876 705503013 /nfs/dbraw/zinc/50/30/13/705503013.db2.gz RPXZFBUVHYPRNZ-NSHDSACASA-N 0 1 317.368 1.746 20 10 DDCDMN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCc2n[nH]nc21 ZINC000862026328 705636741 /nfs/dbraw/zinc/63/67/41/705636741.db2.gz KKEICBSMUICOEE-GFCCVEGCSA-N 0 1 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222041989 /nfs/dbraw/zinc/04/19/89/222041989.db2.gz IMTPGWGSPZCBKE-UHFFFAOYSA-N 0 1 306.406 1.690 20 10 DDCDMN CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000361069259 418577611 /nfs/dbraw/zinc/57/76/11/418577611.db2.gz SIXJICIPJYFWNN-GFCCVEGCSA-N 0 1 316.398 1.433 20 10 DDCDMN COc1ccc(CNC(=O)[C@@H]2CN(C(C)C)CCO2)c(O)c1 ZINC000377147650 418706141 /nfs/dbraw/zinc/70/61/41/418706141.db2.gz AJKJBTUKJLGFBB-HNNXBMFYSA-N 0 1 308.378 1.126 20 10 DDCDMN COc1ccc(O)c([C@H](C)N2CCC[C@@H](S(N)(=O)=O)C2)c1 ZINC000377633405 418711485 /nfs/dbraw/zinc/71/14/85/418711485.db2.gz ZARUIPIPMZRPCD-CMPLNLGQSA-N 0 1 314.407 1.215 20 10 DDCDMN Cc1ccc(C(=O)N2CCC(c3nc[nH]n3)CC2)c(O)c1O ZINC000364701814 418801754 /nfs/dbraw/zinc/80/17/54/418801754.db2.gz DKYYWGIEFUYBPW-UHFFFAOYSA-N 0 1 302.334 1.544 20 10 DDCDMN Nc1cc2c(nn1)CCN(Cc1c(O)ccc(Cl)c1F)C2 ZINC000365268498 418847832 /nfs/dbraw/zinc/84/78/32/418847832.db2.gz PQQRGRHSELHEGM-UHFFFAOYSA-N 0 1 308.744 2.115 20 10 DDCDMN O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000530277504 421590885 /nfs/dbraw/zinc/59/08/85/421590885.db2.gz VPZJDOJFWUMAKI-LLVKDONJSA-N 0 1 308.353 1.984 20 10 DDCDMN O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000530277504 421590887 /nfs/dbraw/zinc/59/08/87/421590887.db2.gz VPZJDOJFWUMAKI-LLVKDONJSA-N 0 1 308.353 1.984 20 10 DDCDMN CC[C@H](C)NC(=O)CN1CCN(Cc2cc(C)ccc2O)CC1 ZINC000129125327 523971583 /nfs/dbraw/zinc/97/15/83/523971583.db2.gz OPHNFEMEJYUNCG-HNNXBMFYSA-N 0 1 319.449 1.733 20 10 DDCDMN NC(=O)c1noc([C@H]2CCCN2Cc2cccc(Cl)c2O)n1 ZINC000364237048 527105269 /nfs/dbraw/zinc/10/52/69/527105269.db2.gz XXVPFFMSCJLUJY-SNVBAGLBSA-N 0 1 322.752 1.865 20 10 DDCDMN C[N@@H+](CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccccc1O ZINC000737392633 600312672 /nfs/dbraw/zinc/31/26/72/600312672.db2.gz AWMNMQRQEKKLDW-UHFFFAOYSA-N 0 1 320.389 1.728 20 10 DDCDMN COC[C@@](C)(CO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000716863577 699284802 /nfs/dbraw/zinc/28/48/02/699284802.db2.gz 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698557646 /nfs/dbraw/zinc/55/76/46/698557646.db2.gz WNDSRAAJABLNRN-OAHLLOKOSA-N 0 1 303.406 1.282 20 10 DDCDMN CCOc1cccc(C[N@H+]2CC[C@@](COC)(C(=O)[O-])C2)c1O ZINC000319216078 698710837 /nfs/dbraw/zinc/71/08/37/698710837.db2.gz RFGNKYIYGODQON-MRXNPFEDSA-N 0 1 309.362 1.714 20 10 DDCDMN CC(=O)NCCC[NH2+]Cc1c([O-])cccc1Br ZINC000706843656 699244906 /nfs/dbraw/zinc/24/49/06/699244906.db2.gz AYQQYCVJIJBNTF-UHFFFAOYSA-N 0 1 301.184 1.771 20 10 DDCDMN NC(=O)C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707164729 699245853 /nfs/dbraw/zinc/24/58/53/699245853.db2.gz ZOIJRZVHFUCWTH-VIFPVBQESA-N 0 1 313.195 1.852 20 10 DDCDMN NC(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707164729 699245856 /nfs/dbraw/zinc/24/58/56/699245856.db2.gz ZOIJRZVHFUCWTH-VIFPVBQESA-N 0 1 313.195 1.852 20 10 DDCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1C1CCC1)cc2=O ZINC000738702371 699765105 /nfs/dbraw/zinc/76/51/05/699765105.db2.gz ITTINDPYOKVWDH-ZDUSSCGKSA-N 0 1 316.361 1.898 20 10 DDCDMN Oc1cc2c(cc1CN1CC[C@](O)(C(F)(F)F)C1)[C@@H](O)CO2 ZINC000762184942 700884109 /nfs/dbraw/zinc/88/41/09/700884109.db2.gz PFZCSJATXGORRM-WCQYABFASA-N 0 1 319.279 1.317 20 10 DDCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1[O-] ZINC000840975917 702298905 /nfs/dbraw/zinc/29/89/05/702298905.db2.gz SOJVBSCSZSWUHD-SKDRFNHKSA-N 0 1 316.741 1.129 20 10 DDCDMN COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])nn1 ZINC000841750735 702556912 /nfs/dbraw/zinc/55/69/12/702556912.db2.gz AMSQQUPXICPVBT-VIFPVBQESA-N 0 1 324.768 1.775 20 10 DDCDMN CCc1nc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)n[nH]1 ZINC000841960441 702636544 /nfs/dbraw/zinc/63/65/44/702636544.db2.gz QEZWIVVOZIOODE-SNVBAGLBSA-N 0 1 302.382 1.552 20 10 DDCDMN COc1c([O-])c(CN2CCC[C@@H](C)[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000843051778 702808807 /nfs/dbraw/zinc/80/88/07/702808807.db2.gz LPHIFFUHBXGFES-ZWNOBZJWSA-N 0 1 309.366 1.868 20 10 DDCDMN COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843433755 702881173 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DDCDMN COCCN(Cc1n[nH]c(C)n1)c1ccc(OC)c(OC)c1 ZINC000293377691 536850547 /nfs/dbraw/zinc/85/05/47/536850547.db2.gz ZMYKRUJCYLICOQ-UHFFFAOYSA-N 0 1 306.366 1.783 20 10 DDCDMN C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C(=O)[O-] ZINC000833629007 605246827 /nfs/dbraw/zinc/24/68/27/605246827.db2.gz DELLMHXGALLOCT-PBHICJAKSA-N 0 1 317.433 1.591 20 10 DDCDMN C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C(=O)[O-] ZINC000833629007 605246829 /nfs/dbraw/zinc/24/68/29/605246829.db2.gz DELLMHXGALLOCT-PBHICJAKSA-N 0 1 317.433 1.591 20 10 DDCDMN CN(C)c1ccc(CN2CCN(Cc3nccn3C)CC2)cc1 ZINC000093108032 696599196 /nfs/dbraw/zinc/59/91/96/696599196.db2.gz HCLITGNOMGZPAG-UHFFFAOYSA-N 0 1 313.449 1.804 20 10 DDCDMN COc1cc(CN2CCN(c3ncccn3)CC2)c(O)cc1C ZINC000159472555 697310093 /nfs/dbraw/zinc/31/00/93/697310093.db2.gz CQFGRFZRSRWSSK-UHFFFAOYSA-N 0 1 314.389 1.821 20 10 DDCDMN CCCN(Cc1cc(OC)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179574308 697439436 /nfs/dbraw/zinc/43/94/36/697439436.db2.gz 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COC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000273465348 408210670 /nfs/dbraw/zinc/21/06/70/408210670.db2.gz DRBJLZUTXVDNCI-SCZZXKLOSA-N 0 1 304.184 1.813 20 10 DDCDMN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCC(C)CC1 ZINC000183418567 408407047 /nfs/dbraw/zinc/40/70/47/408407047.db2.gz ANRMMFKFTGVAFL-CYBMUJFWSA-N 0 1 306.406 1.877 20 10 DDCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2CO)cc1 ZINC000264301977 408435211 /nfs/dbraw/zinc/43/52/11/408435211.db2.gz VXUJYGXHHGSPLR-INIZCTEOSA-N 0 1 305.422 1.168 20 10 DDCDMN CC1(C)CN(Cc2cc3c(cc2O)OCO3)C[C@]2(CCOC2)O1 ZINC000280264419 409280151 /nfs/dbraw/zinc/28/01/51/409280151.db2.gz MAQYYLVEEORZHH-KRWDZBQOSA-N 0 1 321.373 1.891 20 10 DDCDMN C[C@H]1CN(CCCNC(=O)NCc2ccccc2O)C[C@H](C)O1 ZINC000299484137 410593912 /nfs/dbraw/zinc/59/39/12/410593912.db2.gz HUZLUJZKOJLNBW-KBPBESRZSA-N 0 1 321.421 1.691 20 10 DDCDMN CN(C)c1ccc(CNC(=O)c2[nH]nc3c2CNCC3)cc1F ZINC000188747278 222023967 /nfs/dbraw/zinc/02/39/67/222023967.db2.gz JQWLABMHJWNMFT-UHFFFAOYSA-N 0 1 317.368 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698392421 /nfs/dbraw/zinc/39/24/21/698392421.db2.gz JFUHALNBSGKKHC-NSHDSACASA-N 0 1 311.769 1.638 20 10 DDCDMN O=C1NC(=O)C2(CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)N1 ZINC000780891841 698568513 /nfs/dbraw/zinc/56/85/13/698568513.db2.gz AGBQOIZJABVFCR-UHFFFAOYSA-N 0 1 309.753 1.220 20 10 DDCDMN C[N@H+]1CCCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000314113044 698686699 /nfs/dbraw/zinc/68/66/99/698686699.db2.gz NUOHQQROUCTVCO-XQRVVYSFSA-N 0 1 305.334 1.835 20 10 DDCDMN COC[C@H](C[NH2+]Cc1c([O-])cccc1Br)OC ZINC000706805347 699244948 /nfs/dbraw/zinc/24/49/48/699244948.db2.gz ZFDDPOUEGWCRSV-VIFPVBQESA-N 0 1 304.184 1.906 20 10 DDCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1COCCO1 ZINC000706871607 699245430 /nfs/dbraw/zinc/24/54/30/699245430.db2.gz MHDXUOVGCZMNSM-SECBINFHSA-N 0 1 302.168 1.660 20 10 DDCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1c[nH]nn1 ZINC000868890792 702372042 /nfs/dbraw/zinc/37/20/42/702372042.db2.gz XEGKDKDOHOTICI-CYBMUJFWSA-N 0 1 315.421 1.859 20 10 DDCDMN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCc1cnn[nH]1 ZINC000868890792 702372050 /nfs/dbraw/zinc/37/20/50/702372050.db2.gz XEGKDKDOHOTICI-CYBMUJFWSA-N 0 1 315.421 1.859 20 10 DDCDMN CC(C)[N@@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)CO ZINC000817417906 702376348 /nfs/dbraw/zinc/37/63/48/702376348.db2.gz SUZMZNHSCPYLJY-GFCCVEGCSA-N 0 1 318.211 1.718 20 10 DDCDMN CC(C)[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H](O)CO ZINC000817417906 702376353 /nfs/dbraw/zinc/37/63/53/702376353.db2.gz SUZMZNHSCPYLJY-GFCCVEGCSA-N 0 1 318.211 1.718 20 10 DDCDMN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)CN1CCO ZINC000841456021 702455706 /nfs/dbraw/zinc/45/57/06/702455706.db2.gz BYNRTANCRIUNLM-PBYRWIMMSA-N 0 1 320.389 1.025 20 10 DDCDMN CN1CCCc2cc(CNC(=O)N3CCNC(C)(C)C3)ccc21 ZINC000841759468 702557561 /nfs/dbraw/zinc/55/75/61/702557561.db2.gz ODJHSODBBATBTD-UHFFFAOYSA-N 0 1 316.449 1.962 20 10 DDCDMN [NH3+]CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000841931410 702624215 /nfs/dbraw/zinc/62/42/15/702624215.db2.gz BRMYPYALKGPCGG-UHFFFAOYSA-N 0 1 302.172 1.303 20 10 DDCDMN CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000842637712 702747311 /nfs/dbraw/zinc/74/73/11/702747311.db2.gz DFTXOGTZSVXUFS-JTQLQIEISA-N 0 1 324.362 1.238 20 10 DDCDMN CCOc1cccc(C[NH2+][C@@H](C(=O)[O-])c2ccnn2C)c1O ZINC000843039713 702806772 /nfs/dbraw/zinc/80/67/72/702806772.db2.gz QNWGZSOUVONBRZ-CYBMUJFWSA-N 0 1 305.334 1.440 20 10 DDCDMN COC(=O)[C@H]1C[C@H](O)CN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843435560 702881534 /nfs/dbraw/zinc/88/15/34/702881534.db2.gz VWJLFGMMUSHBHX-STQMWFEESA-N 0 1 310.369 1.248 20 10 DDCDMN CCN(CC)c1ccc(CNC(=O)[C@@H](N)COC(C)C)cc1 ZINC000851630140 703818705 /nfs/dbraw/zinc/81/87/05/703818705.db2.gz GVZLGUXGPOYXQK-INIZCTEOSA-N 0 1 307.438 1.901 20 10 DDCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)COC(C)C ZINC000852883576 704159853 /nfs/dbraw/zinc/15/98/53/704159853.db2.gz ZTBLJHBOZCBGMO-INIZCTEOSA-N 0 1 307.438 1.853 20 10 DDCDMN O=C(CCc1c[nH]nn1)NCc1c(O)ccc2c1CCCC2 ZINC000866770910 706795148 /nfs/dbraw/zinc/79/51/48/706795148.db2.gz IRNARSGXXFSSIJ-UHFFFAOYSA-N 0 1 300.362 1.638 20 10 DDCDMN O=C(CCc1cnn[nH]1)NCc1c(O)ccc2c1CCCC2 ZINC000866770910 706795151 /nfs/dbraw/zinc/79/51/51/706795151.db2.gz IRNARSGXXFSSIJ-UHFFFAOYSA-N 0 1 300.362 1.638 20 10 DDCDMN O=C1CCC2=C(CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)N1 ZINC000853519637 704257896 /nfs/dbraw/zinc/25/78/96/704257896.db2.gz GZSKUFZDIYBJEZ-HNNXBMFYSA-N 0 1 316.357 1.188 20 10 DDCDMN CN1CCN(c2ccc(CNc3ccc(F)nn3)cc2)CC1 ZINC000857224822 704565993 /nfs/dbraw/zinc/56/59/93/704565993.db2.gz CTWHQIJMZDWJHK-UHFFFAOYSA-N 0 1 301.369 1.980 20 10 DDCDMN C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(Br)cc1[O-] ZINC000858552318 704726409 /nfs/dbraw/zinc/72/64/09/704726409.db2.gz FVXPAUIDFSKFNK-RLCGTCKNSA-N 0 1 316.195 1.955 20 10 DDCDMN CC(C)OC(=O)[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000825117768 705603083 /nfs/dbraw/zinc/60/30/83/705603083.db2.gz KVNMCAWMWXOWCX-HNNXBMFYSA-N 0 1 319.449 1.868 20 10 DDCDMN OC[C@@H]1C[C@H](O)CN1Cc1ccc(Br)cc1O 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CO[C@H](C)CCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881851916 707392596 /nfs/dbraw/zinc/39/25/96/707392596.db2.gz DHUDCXXSSXZLEV-OAHLLOKOSA-N 0 1 319.449 1.870 20 10 DDCDMN OC[C@@]1(O)CCCN(Cc2cc(Br)ccc2O)C1 ZINC000839159723 708031491 /nfs/dbraw/zinc/03/14/91/708031491.db2.gz OZWTWOXKKUKXFB-CYBMUJFWSA-N 0 1 316.195 1.474 20 10 DDCDMN O=C1NCCN1CC[NH2+]Cc1c([O-])cccc1Br ZINC000886323331 708742889 /nfs/dbraw/zinc/74/28/89/708742889.db2.gz VPABHJIOYSRSMW-UHFFFAOYSA-N 0 1 314.183 1.270 20 10 DDCDMN Cc1ccc(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)c(O)c1O ZINC000928089891 713125638 /nfs/dbraw/zinc/12/56/38/713125638.db2.gz LWRLWXPGIZHBNI-OLZOCXBDSA-N 0 1 322.430 1.716 20 10 DDCDMN C[NH+](C)CCn1cc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000890760860 709979800 /nfs/dbraw/zinc/97/98/00/709979800.db2.gz BNRBUWGHSYYJRV-UHFFFAOYSA-N 0 1 322.796 1.734 20 10 DDCDMN O=C1NCCN1[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000893967400 710903553 /nfs/dbraw/zinc/90/35/53/710903553.db2.gz KUDJCBWNSTZJTH-GFCCVEGCSA-N 0 1 311.332 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308.422 1.929 20 10 DDCDMN CC(=O)C(=O)COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000923847969 714479557 /nfs/dbraw/zinc/47/95/57/714479557.db2.gz ULKRXYGPDKXAQI-SWLSCSKDSA-N 0 1 303.358 1.456 20 10 DDCDMN CO[C@H]1CC[C@H]1N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000934119530 714746951 /nfs/dbraw/zinc/74/69/51/714746951.db2.gz PULFLMDITLQRFO-CVEARBPZSA-N 0 1 305.422 1.478 20 10 DDCDMN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cnnn1C ZINC000926726104 715118844 /nfs/dbraw/zinc/11/88/44/715118844.db2.gz XEDUYSVAYOLGMT-ZDUSSCGKSA-N 0 1 315.421 1.627 20 10 DDCDMN COCCOC1CN(C(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001193612954 746149247 /nfs/dbraw/zinc/14/92/47/746149247.db2.gz VEULWJNPMFKNNH-UHFFFAOYSA-N 0 1 301.726 1.239 20 10 DDCDMN O=C(C1CCN(Cc2ccc(O)c(O)c2)CC1)N1CCCC1 ZINC001203882155 747236286 /nfs/dbraw/zinc/23/62/86/747236286.db2.gz FEVKSTPNOUCLJS-UHFFFAOYSA-N 0 1 304.390 1.932 20 10 DDCDMN C[N@H+]1CCC[C@@H]1CCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889865 773271946 /nfs/dbraw/zinc/27/19/46/773271946.db2.gz 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ZINC001275908662 853928371 /nfs/dbraw/zinc/92/83/71/853928371.db2.gz GLMURYZYANUDMD-GASCZTMLSA-N 0 1 321.396 1.268 20 10 DDCDMN Oc1ccc(CN2CC3(CN(Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001275952497 854006389 /nfs/dbraw/zinc/00/63/89/854006389.db2.gz GEMHLRXFBNZTRU-UHFFFAOYSA-N 0 1 300.362 1.139 20 10 DDCDMN O=C(NCc1cccc(O)c1O)c1cccc2nc(CO)[nH]c21 ZINC001153798951 864110696 /nfs/dbraw/zinc/11/06/96/864110696.db2.gz YQXCSOZDECAOKR-UHFFFAOYSA-N 0 1 313.313 1.396 20 10 DDCDMN CC(C)(C)OC[C@H](N)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924649 866189847 /nfs/dbraw/zinc/18/98/47/866189847.db2.gz NFGIJJVFDLQHRI-ZDUSSCGKSA-N 0 1 322.405 1.515 20 10 DDCDMN CCOc1ccc(N2CCN(C(=O)Cc3ncn[nH]3)CC2)cc1 ZINC001335530773 868366361 /nfs/dbraw/zinc/36/63/61/868366361.db2.gz PCOCSUJLYNJLDM-UHFFFAOYSA-N 0 1 315.377 1.095 20 10 DDCDMN CN(C)c1ccc(CN2CCO[C@H](C(N)=O)C2)c2ccccc21 ZINC001204240326 871010645 /nfs/dbraw/zinc/01/06/45/871010645.db2.gz OTPHMMHOHWCCCY-KRWDZBQOSA-N 0 1 313.401 1.592 20 10 DDCDMN 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NUEZYHUEKCMWMK-INIZCTEOSA-N 0 1 321.421 1.018 20 10 DDCDMN COC(=O)c1sc(C(=O)OC)c(O[C@@H]2COC[C@H]2F)c1O ZINC001227620635 883108492 /nfs/dbraw/zinc/10/84/92/883108492.db2.gz NNGMBHHZVPRQRM-PHDIDXHHSA-N 0 1 320.294 1.143 20 10 DDCDMN COc1ccc(C[N@H+]2C[C@@H]3OCCN(C)[C@H]3C2)c([O-])c1Cl ZINC001276805966 878331108 /nfs/dbraw/zinc/33/11/08/878331108.db2.gz DPTPJPAWKFGLIP-AAEUAGOBSA-N 0 1 312.797 1.569 20 10 DDCDMN [NH3+]CCCCCCCC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001220489862 879056212 /nfs/dbraw/zinc/05/62/12/879056212.db2.gz JSMQTGMHULWWPA-UHFFFAOYSA-N 0 1 308.378 1.696 20 10 DDCDMN O=C([O-])c1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)c1 ZINC001231560201 885731449 /nfs/dbraw/zinc/73/14/49/885731449.db2.gz BRGPDESKVMWZEY-RIEGTJTDSA-N 0 1 307.346 1.062 20 10 DDCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC001231560765 885733350 /nfs/dbraw/zinc/73/33/50/885733350.db2.gz LXIVPDUHPNIYKX-GFCCVEGCSA-N 0 1 305.252 1.590 20 10 DDCDMN CN(C)C(=O)[C@H]1CCSC12CN(Cc1cc(O)ccc1O)C2 ZINC001277660106 886330275 /nfs/dbraw/zinc/33/02/75/886330275.db2.gz PCAOYDGYUUVVGB-CYBMUJFWSA-N 0 1 322.430 1.494 20 10 DDCDMN CCOC(=O)c1c(CN(C)C[C@H](O)CO)c2ccccc2n1C ZINC001233271030 886887566 /nfs/dbraw/zinc/88/75/66/886887566.db2.gz KBQZWKALPDXBSD-LBPRGKRZSA-N 0 1 320.389 1.140 20 10 DDCDMN CN(CCNC(=O)OC(C)(C)C)Cc1cc(O)c(O)cc1O ZINC001233482168 887014096 /nfs/dbraw/zinc/01/40/96/887014096.db2.gz CCELZGAEYYMJEA-UHFFFAOYSA-N 0 1 312.366 1.760 20 10 DDCDMN COC(=O)[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])C[C@@H]1[NH3+] ZINC001236358156 889214361 /nfs/dbraw/zinc/21/43/61/889214361.db2.gz UBDBRZHLFGVQDD-KWQFWETISA-N 0 1 302.733 1.117 20 10 DDCDMN O=C(CNC[C@@H](O)c1ccc(F)cc1)c1ccc(O)c(O)c1 ZINC001252865143 895500190 /nfs/dbraw/zinc/50/01/90/895500190.db2.gz UTROFPWYPLSPFV-OAHLLOKOSA-N 0 1 305.305 1.743 20 10 DDCDMN COc1ccc(N2CCN(CCc3cnn(C)c3)CC2)cc1 ZINC000077247137 353460817 /nfs/dbraw/zinc/46/08/17/353460817.db2.gz GEXWCRDDTDRNMS-UHFFFAOYSA-N 0 1 300.406 1.793 20 10 DDCDMN COC(=O)[C@@H]1[C@@H](O)CCCN1Cc1cc(Cl)c(F)cc1O ZINC000294525997 284201206 /nfs/dbraw/zinc/20/12/06/284201206.db2.gz CWIKOKLHMRZYPY-AAEUAGOBSA-N 0 1 317.744 1.683 20 10 DDCDMN C[C@@H](CN1CCOCC1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000273095394 130089624 /nfs/dbraw/zinc/08/96/24/130089624.db2.gz OOLFSOLAHBECFL-HNNXBMFYSA-N 0 1 319.449 1.679 20 10 DDCDMN CO[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298521536 132067210 /nfs/dbraw/zinc/06/72/10/132067210.db2.gz LLVZJUFNVVHJAP-YOEHRIQHSA-N 0 1 319.449 1.868 20 10 DDCDMN COC[C@H](CCO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000219131575 407527525 /nfs/dbraw/zinc/52/75/25/407527525.db2.gz PBFPIAUQIQCXFJ-NSHDSACASA-N 0 1 304.184 1.642 20 10 DDCDMN CC(C)NC(=O)C[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000120253901 408126532 /nfs/dbraw/zinc/12/65/32/408126532.db2.gz GKFQPHDBSMJHEG-UHFFFAOYSA-N 0 1 315.757 1.910 20 10 DDCDMN CC(C)NC(=O)C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000120253901 408126540 /nfs/dbraw/zinc/12/65/40/408126540.db2.gz GKFQPHDBSMJHEG-UHFFFAOYSA-N 0 1 315.757 1.910 20 10 DDCDMN Oc1cc2c(cc1C[N@H+]1CCC[C@H](Cn3ccnn3)C1)OCO2 ZINC000154946153 408108413 /nfs/dbraw/zinc/10/84/13/408108413.db2.gz SADQYNUMSNGKGK-LBPRGKRZSA-N 0 1 316.361 1.625 20 10 DDCDMN COC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000273465351 408209822 /nfs/dbraw/zinc/20/98/22/408209822.db2.gz DRBJLZUTXVDNCI-WCBMZHEXSA-N 0 1 304.184 1.813 20 10 DDCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](CO)C2)cc1 ZINC000263866133 408292484 /nfs/dbraw/zinc/29/24/84/408292484.db2.gz KQYHYTDBVQMXFW-OAHLLOKOSA-N 0 1 305.422 1.073 20 10 DDCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC(C)(O)CC2)cc1 ZINC000177297057 408574385 /nfs/dbraw/zinc/57/43/85/408574385.db2.gz DATKDPMWFXAHLX-UHFFFAOYSA-N 0 1 319.449 1.558 20 10 DDCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@@](C)(O)CC2)cc1 ZINC000280096590 409256123 /nfs/dbraw/zinc/25/61/23/409256123.db2.gz OUMYJJXWAXGLKK-GOSISDBHSA-N 0 1 319.449 1.606 20 10 DDCDMN Oc1ccc(Cl)c(F)c1CN1CCN2CCOC[C@H]2C1 ZINC000366787146 418517231 /nfs/dbraw/zinc/51/72/31/418517231.db2.gz FKDOQAPESQCMJF-SNVBAGLBSA-N 0 1 300.761 1.701 20 10 DDCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(CN)c1 ZINC000361630278 418693482 /nfs/dbraw/zinc/69/34/82/418693482.db2.gz DAGVMZVLRCMWBQ-UHFFFAOYSA-N 0 1 312.373 1.646 20 10 DDCDMN CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000376830562 418701732 /nfs/dbraw/zinc/70/17/32/418701732.db2.gz DQPZDVWDYPBQJY-JTQLQIEISA-N 0 1 304.799 1.169 20 10 DDCDMN Cc1cccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1O ZINC000370162772 418741225 /nfs/dbraw/zinc/74/12/25/418741225.db2.gz PISUROMWZYUEAQ-UHFFFAOYSA-N 0 1 324.446 1.701 20 10 DDCDMN CN1CCCc2cc(CNC(=O)[C@H]3C[C@@H]3c3nc[nH]n3)ccc21 ZINC000370339706 418743426 /nfs/dbraw/zinc/74/34/26/418743426.db2.gz AISQUTQABCFLND-KBPBESRZSA-N 0 1 311.389 1.607 20 10 DDCDMN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2nc[nH]n2)cc1F ZINC000371655709 418807506 /nfs/dbraw/zinc/80/75/06/418807506.db2.gz NBSIKDKIISXRFZ-QWRGUYRKSA-N 0 1 303.341 1.430 20 10 DDCDMN CCN1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000298611882 535660664 /nfs/dbraw/zinc/66/06/64/535660664.db2.gz UADVCDSGEHUHPA-OAHLLOKOSA-N 0 1 318.465 1.395 20 10 DDCDMN C[C@H](C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000736571599 600364213 /nfs/dbraw/zinc/36/42/13/600364213.db2.gz LHQNQLVXWHASOX-GFCCVEGCSA-N 0 1 307.394 1.021 20 10 DDCDMN CN(C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2)C(=O)[O-] ZINC000828229848 603608391 /nfs/dbraw/zinc/60/83/91/603608391.db2.gz IPHGWOKZDHHOEZ-NSHDSACASA-N 0 1 308.334 1.695 20 10 DDCDMN C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C(=O)[O-] ZINC000833629008 605247004 /nfs/dbraw/zinc/24/70/04/605247004.db2.gz DELLMHXGALLOCT-RHSMWYFYSA-N 0 1 317.433 1.591 20 10 DDCDMN C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C(=O)[O-] ZINC000833629008 605247005 /nfs/dbraw/zinc/24/70/05/605247005.db2.gz DELLMHXGALLOCT-RHSMWYFYSA-N 0 1 317.433 1.591 20 10 DDCDMN COc1cc(O)c(C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)cc1OC ZINC000833888056 605499133 /nfs/dbraw/zinc/49/91/33/605499133.db2.gz RRYKTSQWSFAQJP-JTQLQIEISA-N 0 1 310.350 1.499 20 10 DDCDMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000131094164 696804189 /nfs/dbraw/zinc/80/41/89/696804189.db2.gz ZKDZMVDUOGNFGZ-QKKBWIMNSA-N 0 1 310.463 1.722 20 10 DDCDMN COC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000188381449 697558100 /nfs/dbraw/zinc/55/81/00/697558100.db2.gz REWPXNGSRPPYGF-MAUKXSAKSA-N 0 1 320.433 1.759 20 10 DDCDMN CCN(Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCNC1=O ZINC000799737874 700163777 /nfs/dbraw/zinc/16/37/77/700163777.db2.gz PDNVVSNVJIMKOQ-MRXNPFEDSA-N 0 1 321.396 1.373 20 10 DDCDMN COC[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])OC ZINC000227707366 697771535 /nfs/dbraw/zinc/77/15/35/697771535.db2.gz GESAGAFOFVTBNM-LLVKDONJSA-N 0 1 304.184 1.906 20 10 DDCDMN CNS(=O)(=O)C[C@@H]1CCCN1Cc1cc(F)ccc1O ZINC000779030068 698391487 /nfs/dbraw/zinc/39/14/87/698391487.db2.gz LCBFQLDCUIUCMU-LBPRGKRZSA-N 0 1 302.371 1.045 20 10 DDCDMN Cc1ccc(C(=O)NC2(c3nn[nH]n3)CCCC2)c(O)c1O ZINC000780944479 698575289 /nfs/dbraw/zinc/57/52/89/698575289.db2.gz AXIJYDMMQJRSDQ-UHFFFAOYSA-N 0 1 303.322 1.119 20 10 DDCDMN CN(C)c1ccc(CN2CCC3(CNC(=O)O3)CC2)cc1F ZINC000783721547 698870035 /nfs/dbraw/zinc/87/00/35/698870035.db2.gz DILWHHSWQXMYLZ-UHFFFAOYSA-N 0 1 307.369 1.966 20 10 DDCDMN CS(=O)(=O)NC1CCN(Cc2cc(F)ccc2O)CC1 ZINC000703117479 699235069 /nfs/dbraw/zinc/23/50/69/699235069.db2.gz BJWJTNYGWOHVFB-UHFFFAOYSA-N 0 1 302.371 1.045 20 10 DDCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000706808765 699244983 /nfs/dbraw/zinc/24/49/83/699244983.db2.gz ZIZNVDKMYIUBLT-ZYHUDNBSSA-N 0 1 302.168 1.394 20 10 DDCDMN C[C@H]1C[C@@H](O)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000761104927 700843907 /nfs/dbraw/zinc/84/39/07/700843907.db2.gz JWHZRVZHNULXIC-XJKSGUPXSA-N 0 1 305.422 1.166 20 10 DDCDMN Oc1cc2c(cc1CN1CCCC[C@@H]1C1OCCO1)[C@@H](O)CO2 ZINC000768445018 701177529 /nfs/dbraw/zinc/17/75/29/701177529.db2.gz DKOVGFKVQCSVCK-HIFRSBDPSA-N 0 1 321.373 1.545 20 10 DDCDMN COCC(=O)NC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000768885450 701213937 /nfs/dbraw/zinc/21/39/37/701213937.db2.gz VYWQTPXZVRQPSR-UHFFFAOYSA-N 0 1 312.797 1.773 20 10 DDCDMN Cc1ccc(O)c(CN2CCN(c3nccn(C)c3=O)CC2)c1 ZINC000769467306 701246239 /nfs/dbraw/zinc/24/62/39/701246239.db2.gz SQLNBAKWXLKYIC-UHFFFAOYSA-N 0 1 314.389 1.117 20 10 DDCDMN C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000839578599 701744024 /nfs/dbraw/zinc/74/40/24/701744024.db2.gz GFYYNPRDAZRTBO-NILFDRSVSA-N 0 1 319.361 1.366 20 10 DDCDMN Nc1nc(NCCc2ccc(O)c(O)c2)cc(-n2cccn2)n1 ZINC000811810885 702065840 /nfs/dbraw/zinc/06/58/40/702065840.db2.gz HEFFVVLBEPMDMH-UHFFFAOYSA-N 0 1 312.333 1.310 20 10 DDCDMN CN(C)c1noc(CNCc2cc(Cl)c(F)cc2O)n1 ZINC000816573272 702115874 /nfs/dbraw/zinc/11/58/74/702115874.db2.gz TZVQKYQNRXAQGK-UHFFFAOYSA-N 0 1 300.721 1.924 20 10 DDCDMN NC(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000813684402 702397585 /nfs/dbraw/zinc/39/75/85/702397585.db2.gz IHHUKROFJVRZLI-UHFFFAOYSA-N 0 1 317.172 1.971 20 10 DDCDMN CCOC(=O)[C@@H]1NCC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000817898822 702512448 /nfs/dbraw/zinc/51/24/48/702512448.db2.gz BIZATGFBZUDAQS-UKRRQHHQSA-N 0 1 309.385 1.275 20 10 DDCDMN CN(C)c1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1F ZINC000841759963 702558293 /nfs/dbraw/zinc/55/82/93/702558293.db2.gz IZLPXAKZSHVMAS-OKILXGFUSA-N 0 1 320.412 1.928 20 10 DDCDMN CO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1C(C)=O)C1CC1 ZINC000842589188 702737379 /nfs/dbraw/zinc/73/73/79/702737379.db2.gz RTEDEUVSSBJHQG-AWEZNQCLSA-N 0 1 313.375 1.762 20 10 DDCDMN COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000843433927 702880824 /nfs/dbraw/zinc/88/08/24/702880824.db2.gz MZMMDZWGUPYUCI-CABCVRRESA-N 0 1 315.369 1.901 20 10 DDCDMN COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000843433927 702880827 /nfs/dbraw/zinc/88/08/27/702880827.db2.gz MZMMDZWGUPYUCI-CABCVRRESA-N 0 1 315.369 1.901 20 10 DDCDMN CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844838877 703077902 /nfs/dbraw/zinc/07/79/02/703077902.db2.gz JBGJBLDNHHIGCR-OAHLLOKOSA-N 0 1 321.421 1.506 20 10 DDCDMN CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844838877 703077905 /nfs/dbraw/zinc/07/79/05/703077905.db2.gz JBGJBLDNHHIGCR-OAHLLOKOSA-N 0 1 321.421 1.506 20 10 DDCDMN CO[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000831527162 706725179 /nfs/dbraw/zinc/72/51/79/706725179.db2.gz CMPUFWXJOPGHRZ-WMLDXEAASA-N 0 1 319.449 1.726 20 10 DDCDMN O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]3CCC[C@H]31)cc2=O ZINC000846240662 703255433 /nfs/dbraw/zinc/25/54/33/703255433.db2.gz CHFHYXYRVXUCNX-ZWNOBZJWSA-N 0 1 316.361 1.898 20 10 DDCDMN COc1ccc(N(C)CCN(C)C(=O)c2cnccc2N)cc1 ZINC000846697887 703319714 /nfs/dbraw/zinc/31/97/14/703319714.db2.gz XSQAFFQOMAEIBG-UHFFFAOYSA-N 0 1 314.389 1.711 20 10 DDCDMN C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Cl)ccc1[O-] ZINC000850508794 703734413 /nfs/dbraw/zinc/73/44/13/703734413.db2.gz OHTOJJGOQGGTAP-XHDPSFHLSA-N 0 1 315.797 1.864 20 10 DDCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1COCCN1 ZINC000818608249 703939118 /nfs/dbraw/zinc/93/91/18/703939118.db2.gz WJMPPXVSRJUCIM-INIZCTEOSA-N 0 1 319.449 1.868 20 10 DDCDMN CN(CC1CN(C)C1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000852137925 703940694 /nfs/dbraw/zinc/94/06/94/703940694.db2.gz AZHKHMMOCNNKFA-UHFFFAOYSA-N 0 1 314.433 1.766 20 10 DDCDMN CN1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)NC1=O ZINC000854473966 704403790 /nfs/dbraw/zinc/40/37/90/704403790.db2.gz GYKHFYVOHRPVSW-SECBINFHSA-N 0 1 318.160 1.339 20 10 DDCDMN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000855224018 704473904 /nfs/dbraw/zinc/47/39/04/704473904.db2.gz JVAOWJCWLRAASC-LERXQTSPSA-N 0 1 305.334 1.055 20 10 DDCDMN C[C@H](Cn1cncn1)[NH2+]Cc1c([O-])cccc1Br ZINC000858115902 704667497 /nfs/dbraw/zinc/66/74/97/704667497.db2.gz PXRSVQGKKQNERM-SECBINFHSA-N 0 1 311.183 1.925 20 10 DDCDMN NC(=O)C[C@H]1CN(Cc2c(O)ccc3ccncc32)CCO1 ZINC000863326424 705902444 /nfs/dbraw/zinc/90/24/44/705902444.db2.gz NSXNLRLDZDAPKO-LBPRGKRZSA-N 0 1 301.346 1.017 20 10 DDCDMN NC(=O)C[C@@H]1CN(Cc2c(O)ccc3ccncc32)CCO1 ZINC000863326423 705902738 /nfs/dbraw/zinc/90/27/38/705902738.db2.gz NSXNLRLDZDAPKO-GFCCVEGCSA-N 0 1 301.346 1.017 20 10 DDCDMN CN(Cc1cn(C)nn1)Cc1cccc(Br)c1O ZINC000827305157 705972208 /nfs/dbraw/zinc/97/22/08/705972208.db2.gz OGOKVQXULYYEIM-UHFFFAOYSA-N 0 1 311.183 1.915 20 10 DDCDMN CCNC(=O)C1CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877580564 706148171 /nfs/dbraw/zinc/14/81/71/706148171.db2.gz NHDLNZRFNCMUMS-UHFFFAOYSA-N 0 1 317.433 1.216 20 10 DDCDMN CCn1ncnc1CN[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000877620714 706162043 /nfs/dbraw/zinc/16/20/43/706162043.db2.gz LYTJCNGNQSRWTJ-ZDUSSCGKSA-N 0 1 301.394 1.675 20 10 DDCDMN CN1C(=O)[C@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])C[C@H]2C1=O ZINC000877719489 706188146 /nfs/dbraw/zinc/18/81/46/706188146.db2.gz DTRVYVLFNDZXQQ-GASCZTMLSA-N 0 1 310.353 1.592 20 10 DDCDMN CN1C(=O)[C@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@H]2C1=O ZINC000877719489 706188147 /nfs/dbraw/zinc/18/81/47/706188147.db2.gz DTRVYVLFNDZXQQ-GASCZTMLSA-N 0 1 310.353 1.592 20 10 DDCDMN CO[C@@H](C)CCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881851915 707392520 /nfs/dbraw/zinc/39/25/20/707392520.db2.gz DHUDCXXSSXZLEV-HNNXBMFYSA-N 0 1 319.449 1.870 20 10 DDCDMN COCCCCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881852231 707393677 /nfs/dbraw/zinc/39/36/77/707393677.db2.gz ZONXAZDSSAGZRW-UHFFFAOYSA-N 0 1 319.449 1.871 20 10 DDCDMN Cc1cc(O)c(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1C ZINC000872794198 707605143 /nfs/dbraw/zinc/60/51/43/707605143.db2.gz HETHJDYTOMQPKF-DZGCQCFKSA-N 0 1 309.431 1.876 20 10 DDCDMN Cc1cc(O)c(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1C ZINC000872794198 707605147 /nfs/dbraw/zinc/60/51/47/707605147.db2.gz HETHJDYTOMQPKF-DZGCQCFKSA-N 0 1 309.431 1.876 20 10 DDCDMN O=C1NCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1[O-] ZINC000839196216 708035143 /nfs/dbraw/zinc/03/51/43/708035143.db2.gz SWNPROKVEZKCAK-VIFPVBQESA-N 0 1 313.195 1.771 20 10 DDCDMN CN1CCN(c2ccc(CNC(=O)N[C@@H]3CC34CC4)cc2)CC1 ZINC000889661419 709575952 /nfs/dbraw/zinc/57/59/52/709575952.db2.gz ZYCYNYLCHKTBGJ-MRXNPFEDSA-N 0 1 314.433 1.790 20 10 DDCDMN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCc2n[nH]nc21 ZINC000890759999 709980099 /nfs/dbraw/zinc/98/00/99/709980099.db2.gz YHYLNUDCAHCXKI-SECBINFHSA-N 0 1 306.753 1.900 20 10 DDCDMN C[N@H+]1CCCC[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911489205 710819242 /nfs/dbraw/zinc/81/92/42/710819242.db2.gz RBBICGYYRLERTH-ZDUSSCGKSA-N 0 1 306.362 1.290 20 10 DDCDMN OC1CCN(c2ccc(CNCc3c[nH]cn3)cc2F)CC1 ZINC000894203394 711015693 /nfs/dbraw/zinc/01/56/93/711015693.db2.gz RLBSNDIJWAVFFR-UHFFFAOYSA-N 0 1 304.369 1.800 20 10 DDCDMN O=CN1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000894431970 711118792 /nfs/dbraw/zinc/11/87/92/711118792.db2.gz LSMHITPFAQAEQM-UHFFFAOYSA-N 0 1 313.195 1.865 20 10 DDCDMN Cc1nnc(CN2CCN(Cc3ccc(C)cc3O)CC2)[nH]1 ZINC000895263440 711470351 /nfs/dbraw/zinc/47/03/51/711470351.db2.gz UCJQTFODFXSOOT-UHFFFAOYSA-N 0 1 301.394 1.445 20 10 DDCDMN COC[C@]1(C(=O)OC)CCCN1Cc1cc(F)cc(F)c1O ZINC000895314707 711481610 /nfs/dbraw/zinc/48/16/10/711481610.db2.gz PGTXSQIQCVSQNR-HNNXBMFYSA-N 0 1 315.316 1.824 20 10 DDCDMN CCCN(Cc1ccccc1O)C(=O)C1CN([C@@H]2CCOC2)C1 ZINC000896058551 711670191 /nfs/dbraw/zinc/67/01/91/711670191.db2.gz QAYGAYGYONQYKL-MRXNPFEDSA-N 0 1 318.417 1.852 20 10 DDCDMN CCC[N@H+](Cc1ccccc1O)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929753690 713683167 /nfs/dbraw/zinc/68/31/67/713683167.db2.gz UTVDXPUSNCBJDC-NVXWUHKLSA-N 0 1 309.406 1.507 20 10 DDCDMN C[C@H]1CN(C(=O)CN(C)Cc2ccccc2O)CC(C)(C)O1 ZINC000929976506 713726421 /nfs/dbraw/zinc/72/64/21/713726421.db2.gz OZZAIPQBGTYJMX-ZDUSSCGKSA-N 0 1 306.406 1.850 20 10 DDCDMN Cc1cc(CN[C@@](C)(Cn2cccn2)C(N)=O)ccc1N(C)C ZINC000934223794 714770763 /nfs/dbraw/zinc/77/07/63/714770763.db2.gz ZYZBZFQPRHANLO-KRWDZBQOSA-N 0 1 315.421 1.291 20 10 DDCDMN CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ncc[nH]1 ZINC001190708343 745290073 /nfs/dbraw/zinc/29/00/73/745290073.db2.gz LYDHQCNJBMBOKI-UHFFFAOYSA-N 0 1 320.418 1.831 20 10 DDCDMN O=S(=O)(NCc1ccc(O)cc1O)c1cc(O)cc(F)c1 ZINC001191530489 745534833 /nfs/dbraw/zinc/53/48/33/745534833.db2.gz MNCGBBIAUXDFAX-UHFFFAOYSA-N 0 1 313.306 1.421 20 10 DDCDMN O=C(c1ccc(O)c([O-])c1Cl)N(c1ncccn1)C1C[NH2+]C1 ZINC001193233127 746024794 /nfs/dbraw/zinc/02/47/94/746024794.db2.gz UYLFXHRDCLVYOA-UHFFFAOYSA-N 0 1 320.736 1.160 20 10 DDCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1CC(N2CC(F)C2)C1 ZINC001193589109 746140099 /nfs/dbraw/zinc/14/00/99/746140099.db2.gz DADILQDHLABZEW-UHFFFAOYSA-N 0 1 300.717 1.229 20 10 DDCDMN CN(OCC(F)(F)F)C(=O)CNCc1ccc2c(c1)CCO2 ZINC001204021694 762231396 /nfs/dbraw/zinc/23/13/96/762231396.db2.gz ZYPKUTSDTJNLCG-UHFFFAOYSA-N 0 1 318.295 1.663 20 10 DDCDMN C[C@@H](O)CN1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039062200 761701280 /nfs/dbraw/zinc/70/12/80/761701280.db2.gz VNJOPCKNHGFCON-ZWNOBZJWSA-N 0 1 319.365 1.034 20 10 DDCDMN CC(=O)OC1CN(Cc2c(O)ccc3c(C)cc(=O)oc32)C1 ZINC001139129031 770850185 /nfs/dbraw/zinc/85/01/85/770850185.db2.gz LJWRSECGSXLUCF-UHFFFAOYSA-N 0 1 303.314 1.554 20 10 DDCDMN COC[C@@H]1CN(Cc2ccc(O)cc2O)Cc2cn(C)nc21 ZINC001204273966 779798943 /nfs/dbraw/zinc/79/89/43/779798943.db2.gz WQTBVZLQDONPTB-ZDUSSCGKSA-N 0 1 303.362 1.577 20 10 DDCDMN CN1CCN(c2ccc(C[NH2+][C@@H](C(=O)[O-])C3CC3)cc2)CC1 ZINC001119597864 781530968 /nfs/dbraw/zinc/53/09/68/781530968.db2.gz UGZRBWYXZGUSBU-MRXNPFEDSA-N 0 1 303.406 1.391 20 10 DDCDMN O=C1C[C@]2(CN1C1COC1)CCCC[N@@H+]2Cc1ccccc1O ZINC001272618830 846416743 /nfs/dbraw/zinc/41/67/43/846416743.db2.gz OYYBMERDXDIMNH-SFHVURJKSA-N 0 1 316.401 1.748 20 10 DDCDMN C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1cccc(Cl)c1[O-] ZINC001124069894 859560720 /nfs/dbraw/zinc/56/07/20/859560720.db2.gz FWALTKBEFLEJDK-MFKMUULPSA-N 0 1 309.797 1.050 20 10 DDCDMN C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCc1cccc(Cl)c1[O-] ZINC001124069894 859560727 /nfs/dbraw/zinc/56/07/27/859560727.db2.gz FWALTKBEFLEJDK-MFKMUULPSA-N 0 1 309.797 1.050 20 10 DDCDMN O=C(N1CCN(Cc2c(O)cc(F)cc2F)CC1)C(F)(F)F ZINC001140582838 860657741 /nfs/dbraw/zinc/65/77/41/860657741.db2.gz NNUXJSPOPHGZCE-UHFFFAOYSA-N 0 1 324.249 1.877 20 10 DDCDMN OCC1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140660242 860669680 /nfs/dbraw/zinc/66/96/80/860669680.db2.gz LHFHWAAOCZJVGB-UHFFFAOYSA-N 0 1 308.397 1.867 20 10 DDCDMN COC(=O)[C@]1(C)CC[N@@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141033006 860769086 /nfs/dbraw/zinc/76/90/86/860769086.db2.gz WSNQVEHEAFHMSE-MRXNPFEDSA-N 0 1 309.362 1.794 20 10 DDCDMN COC(=O)[C@@H]1C[N@@H+](Cc2c(O)cc(OC)cc2OC)CC12CC2 ZINC001141032975 860769131 /nfs/dbraw/zinc/76/91/31/860769131.db2.gz VKCHAOBLCVUXTG-ZDUSSCGKSA-N 0 1 321.373 1.794 20 10 DDCDMN COc1cc(CN2CCCC[C@@]23CC(=O)N(C)C3)cc(O)c1O ZINC001204348209 871069160 /nfs/dbraw/zinc/06/91/60/871069160.db2.gz LIVABMGEVZQHNQ-KRWDZBQOSA-N 0 1 320.389 1.693 20 10 DDCDMN Cc1cc(Br)c([O-])c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205973258 871966434 /nfs/dbraw/zinc/96/64/34/871966434.db2.gz MNAWYSBAENNIEU-VXGBXAGGSA-N 0 1 315.211 1.357 20 10 DDCDMN 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/nfs/dbraw/zinc/47/18/80/772471880.db2.gz NZBOKCMXUGMAID-PRHODGIISA-N 0 1 320.158 1.079 20 10 DDCDMN C[NH+](C)C[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)CCO1 ZINC001237125400 846662818 /nfs/dbraw/zinc/66/28/18/846662818.db2.gz YURHGGDKIMJAML-SNVBAGLBSA-N 0 1 302.777 1.947 20 10 DDCDMN CN1C[C@]2(CC[N@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001273107552 847922222 /nfs/dbraw/zinc/92/22/22/847922222.db2.gz BGDYAQXQDOVEFT-HNNXBMFYSA-N 0 1 310.781 1.479 20 10 DDCDMN CN1C[C@]2(CC[N@@H+](Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001273107552 847922235 /nfs/dbraw/zinc/92/22/35/847922235.db2.gz BGDYAQXQDOVEFT-HNNXBMFYSA-N 0 1 310.781 1.479 20 10 DDCDMN CC[NH+](CC)CCNC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155217943 861850643 /nfs/dbraw/zinc/85/06/43/861850643.db2.gz AUMVADCRQPZBBN-UHFFFAOYSA-N 0 1 320.345 1.276 20 10 DDCDMN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N(Cc1ccc(O)c(O)c1)C2 ZINC001275821287 853817160 /nfs/dbraw/zinc/81/71/60/853817160.db2.gz NEEDROOGLBNQRR-KBPBESRZSA-N 0 1 319.405 1.722 20 10 DDCDMN CC(=O)N1CCO[C@@H]2CC[N@@H+](Cc3c([O-])cccc3F)CC[C@@H]21 ZINC001137834585 859982720 /nfs/dbraw/zinc/98/27/20/859982720.db2.gz LYNLITIDPXBFRF-DOTOQJQBSA-N 0 1 322.380 1.743 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001139126462 860297040 /nfs/dbraw/zinc/29/70/40/860297040.db2.gz IHAUMEPUEGSVGB-TZMCWYRMSA-N 0 1 307.321 1.712 20 10 DDCDMN O=C(N[C@@H]1CCCN(Cc2cc(O)ccc2O)C1)C1CCC1 ZINC001141162464 860799482 /nfs/dbraw/zinc/79/94/82/860799482.db2.gz SLUWZBSGHHEZHO-CQSZACIVSA-N 0 1 304.390 1.979 20 10 DDCDMN CN(C)c1ccc(/C=C\C[NH2+][C@H](Cc2ccn[nH]2)C(=O)[O-])cc1 ZINC001333893276 867127308 /nfs/dbraw/zinc/12/73/08/867127308.db2.gz MCZAFDXDZQQJRP-MJSXRHKHSA-N 0 1 314.389 1.774 20 10 DDCDMN Nc1ccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1 ZINC001335286395 868203877 /nfs/dbraw/zinc/20/38/77/868203877.db2.gz YONSDUAVSWISBP-INIZCTEOSA-N 0 1 303.406 1.482 20 10 DDCDMN CCOc1ccc(N2CCN(C(COC)COC)CC2)cc1 ZINC001335455370 868311995 /nfs/dbraw/zinc/31/19/95/868311995.db2.gz 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876432787 /nfs/dbraw/zinc/43/27/87/876432787.db2.gz YMRDPQMNDYZKPP-DZGCQCFKSA-N 0 1 320.437 1.168 20 10 DDCDMN CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000400122031 876490191 /nfs/dbraw/zinc/49/01/91/876490191.db2.gz AOIMTUFWOATGAJ-SECBINFHSA-N 0 1 304.799 1.169 20 10 DDCDMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCc1ccc(N)cc1 ZINC001357791783 880198498 /nfs/dbraw/zinc/19/84/98/880198498.db2.gz PKYCKMARZFRVRV-CYBMUJFWSA-N 0 1 320.437 1.255 20 10 DDCDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(O)c1 ZINC001231455279 885675755 /nfs/dbraw/zinc/67/57/55/885675755.db2.gz MGFJVDGFWIRKPU-OAHLLOKOSA-N 0 1 306.318 1.165 20 10 DDCDMN O=C([O-])c1ccc(O)c(C[NH+]2CC(N3CCC(F)CC3)C2)c1 ZINC001231565328 885736750 /nfs/dbraw/zinc/73/67/50/885736750.db2.gz SBRRWLJTPVTCKE-UHFFFAOYSA-N 0 1 308.353 1.709 20 10 DDCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCC(=O)N3CCC[C@H]3C2)c1 ZINC001231568573 885738999 /nfs/dbraw/zinc/73/89/99/885738999.db2.gz NBWJNTKUTDLCMY-ZDUSSCGKSA-N 0 1 304.346 1.287 20 10 DDCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)CC12CC2 ZINC001231567434 885739189 /nfs/dbraw/zinc/73/91/89/885739189.db2.gz FVXUVJVLKAWMBG-LBPRGKRZSA-N 0 1 305.330 1.475 20 10 DDCDMN CN(C)C(=O)[C@]12C[C@H]1CCN2Cc1ccc2c(c1)OCCN2C ZINC001277652771 886278002 /nfs/dbraw/zinc/27/80/02/886278002.db2.gz JTQSPFYJMLZOCQ-KDOFPFPSSA-N 0 1 315.417 1.568 20 10 DDCDMN O=C(N1CC=CC1)[C@]12C[C@H]1CCN2Cc1cc(O)ccc1O ZINC001277659783 886332471 /nfs/dbraw/zinc/33/24/71/886332471.db2.gz HOUWHLZLZLAZKJ-DYVFJYSZSA-N 0 1 300.358 1.461 20 10 DDCDMN CC(=O)N1CCCC[C@@]12CCN(Cc1cc(O)c(O)c(O)c1)C2 ZINC001233013773 886724677 /nfs/dbraw/zinc/72/46/77/886724677.db2.gz TZJUZJYNGOOKKP-KRWDZBQOSA-N 0 1 320.389 1.780 20 10 DDCDMN Oc1c(Br)cc(F)cc1CN1C[C@@H](O)[C@@H](F)C1 ZINC001235296505 888537925 /nfs/dbraw/zinc/53/79/25/888537925.db2.gz JBHLAPQWZRDAOC-VHSXEESVSA-N 0 1 308.122 1.808 20 10 DDCDMN O=C([C@H]1CC12CN(Cc1cc(F)ccc1O)C2)N1CCCCO1 ZINC001278257343 890291232 /nfs/dbraw/zinc/29/12/32/890291232.db2.gz TWUDISKQFISZBU-CQSZACIVSA-N 0 1 320.364 1.907 20 10 DDCDMN CCN(C)C(=O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000186810901 407776899 /nfs/dbraw/zinc/77/68/99/407776899.db2.gz PLMMVKRFKPBHNA-CYBMUJFWSA-N 0 1 323.412 1.791 20 10 DDCDMN CNC(=O)[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1O ZINC000179701362 407824616 /nfs/dbraw/zinc/82/46/16/407824616.db2.gz RSOSZHWQQFBFHP-GFCCVEGCSA-N 0 1 308.378 1.510 20 10 DDCDMN O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000276546471 408880953 /nfs/dbraw/zinc/88/09/53/408880953.db2.gz JWDKWDNFWYMGLQ-LLVKDONJSA-N 0 1 308.353 1.795 20 10 DDCDMN COC[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000281002299 408869682 /nfs/dbraw/zinc/86/96/82/408869682.db2.gz NQSVLVAUGUXCHO-SCZZXKLOSA-N 0 1 304.184 1.813 20 10 DDCDMN CCCC[N@@H+](CCC(=O)NC(=O)NC)Cc1ccccc1O ZINC000282503530 409056967 /nfs/dbraw/zinc/05/69/67/409056967.db2.gz RCDOBISUZYJFEN-UHFFFAOYSA-N 0 1 307.394 1.840 20 10 DDCDMN CCCN(Cc1cccc(OC)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000282926952 409070711 /nfs/dbraw/zinc/07/07/11/409070711.db2.gz FOPURGPYPPRPEV-GFCCVEGCSA-N 0 1 306.362 1.370 20 10 DDCDMN COc1c([O-])c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000280175800 409263631 /nfs/dbraw/zinc/26/36/31/409263631.db2.gz GKVDATSKXXFGDC-CQSZACIVSA-N 0 1 309.322 1.006 20 10 DDCDMN COc1c([O-])c(C[NH+]2CC([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000376132859 418692881 /nfs/dbraw/zinc/69/28/81/418692881.db2.gz MPAUIJJNZCGNNQ-NSHDSACASA-N 0 1 308.334 1.777 20 10 DDCDMN CNS(=O)(=O)[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000372404363 418865640 /nfs/dbraw/zinc/86/56/40/418865640.db2.gz LLHLLFJUSHULCS-HNNXBMFYSA-N 0 1 311.451 1.266 20 10 DDCDMN COc1cccc(CNC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1O ZINC000158107878 525991642 /nfs/dbraw/zinc/99/16/42/525991642.db2.gz IESSVBZSPIVCEF-SNVBAGLBSA-N 0 1 318.377 1.863 20 10 DDCDMN C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1NC(=O)[O-] ZINC000739183345 603397166 /nfs/dbraw/zinc/39/71/66/603397166.db2.gz GSMINAKLCAHZPU-GXSJLCMTSA-N 0 1 308.334 1.599 20 10 DDCDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000833829086 605499254 /nfs/dbraw/zinc/49/92/54/605499254.db2.gz FKLPNTYUQDDLBL-BFVZDQMLSA-N 0 1 322.361 1.296 20 10 DDCDMN COc1cc(O)c(C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)cc1OC ZINC000833888210 605500614 /nfs/dbraw/zinc/50/06/14/605500614.db2.gz XFWOESOFKRCARG-NSHDSACASA-N 0 1 324.377 1.841 20 10 DDCDMN CCN1CCN(Cc2cccc(Br)c2O)CC1=O ZINC000758015944 700680980 /nfs/dbraw/zinc/68/09/80/700680980.db2.gz QWJJBUZMAWWCSH-UHFFFAOYSA-N 0 1 313.195 1.819 20 10 DDCDMN CCC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000028064707 696102289 /nfs/dbraw/zinc/10/22/89/696102289.db2.gz LDZAQFZEXQUTRJ-UHFFFAOYSA-N 0 1 305.422 1.734 20 10 DDCDMN CNC(=O)[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000092097952 696592506 /nfs/dbraw/zinc/59/25/06/696592506.db2.gz WABJHDUANJNDIO-MRXNPFEDSA-N 0 1 303.406 1.234 20 10 DDCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c1[O-] ZINC000131302622 696805673 /nfs/dbraw/zinc/80/56/73/696805673.db2.gz VZFKWJQNOGDMPN-JSGCOSHPSA-N 0 1 308.353 1.868 20 10 DDCDMN COc1ccc(N2CCN(C(=O)CCc3nc[nH]n3)CC2)cc1 ZINC000177098381 697409168 /nfs/dbraw/zinc/40/91/68/697409168.db2.gz QQJKTIVVTWNPJY-UHFFFAOYSA-N 0 1 315.377 1.095 20 10 DDCDMN COc1cc(N2CCN(Cc3cccc(C)c3O)CC2)ncn1 ZINC000184436705 697503179 /nfs/dbraw/zinc/50/31/79/697503179.db2.gz IQJBVBKXYDRVCH-UHFFFAOYSA-N 0 1 314.389 1.821 20 10 DDCDMN C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000186817990 697538271 /nfs/dbraw/zinc/53/82/71/697538271.db2.gz QSDHDQWXQABXAN-PBHICJAKSA-N 0 1 319.449 1.414 20 10 DDCDMN C[C@@H]1CCN(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000775289672 697978665 /nfs/dbraw/zinc/97/86/65/697978665.db2.gz YNHXAVQJHXHBAW-MRVPVSSYSA-N 0 1 301.324 1.299 20 10 DDCDMN NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000775697297 698023463 /nfs/dbraw/zinc/02/34/63/698023463.db2.gz YOEVJOORWBPEPC-JTQLQIEISA-N 0 1 304.799 1.299 20 10 DDCDMN CNC(=O)CCC[NH2+]Cc1c([O-])cccc1Br ZINC000706842544 699245079 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ZINC000876738966 705851064 /nfs/dbraw/zinc/85/10/64/705851064.db2.gz MOQZSLLOVSDINS-RKDXNWHRSA-N 0 1 307.362 1.924 20 10 DDCDMN CCOc1cccc(CN2CCN([C@H]3CCOC3)CC2)c1O ZINC000827120214 705933272 /nfs/dbraw/zinc/93/32/72/705933272.db2.gz QKOJXIKGSSGJCP-HNNXBMFYSA-N 0 1 306.406 1.697 20 10 DDCDMN COc1c([O-])c(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000827692266 706050932 /nfs/dbraw/zinc/05/09/32/706050932.db2.gz HCBAZNSYNGGUEW-ZUZCIYMTSA-N 0 1 310.350 1.759 20 10 DDCDMN Cc1cc(C(=O)N2CCN(Cc3ccccc3O)[C@H](C)C2)[nH]n1 ZINC000835072505 707167170 /nfs/dbraw/zinc/16/71/70/707167170.db2.gz BOZFWDPXZBDIGY-CYBMUJFWSA-N 0 1 314.389 1.770 20 10 DDCDMN Cc1cc(C(=O)N2CCN(Cc3ccccc3O)[C@H](C)C2)n[nH]1 ZINC000835072505 707167171 /nfs/dbraw/zinc/16/71/71/707167171.db2.gz BOZFWDPXZBDIGY-CYBMUJFWSA-N 0 1 314.389 1.770 20 10 DDCDMN CC[C@@H](OC)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881851684 707392758 /nfs/dbraw/zinc/39/27/58/707392758.db2.gz OOSWNKASMSMPLF-MRXNPFEDSA-N 0 1 305.422 1.480 20 10 DDCDMN Cc1cc(Br)cc(CN2C[C@H](CO)[C@H](O)C2)c1O ZINC000839167271 708032623 /nfs/dbraw/zinc/03/26/23/708032623.db2.gz WIPRTENDTXRAJE-ZYHUDNBSSA-N 0 1 316.195 1.248 20 10 DDCDMN O=C1C[C@H](CC[NH2+]Cc2ccc(Br)cc2[O-])CN1 ZINC000896897531 708175907 /nfs/dbraw/zinc/17/59/07/708175907.db2.gz SUBPZEZPCVTYAU-VIFPVBQESA-N 0 1 313.195 1.771 20 10 DDCDMN CN(C)c1ccc(CN(C)C(=O)[C@]2(C)C[C@@H](O)CN2C)cc1 ZINC000900028052 709271283 /nfs/dbraw/zinc/27/12/83/709271283.db2.gz YQUJEDDADHAYCO-WBVHZDCISA-N 0 1 305.422 1.166 20 10 DDCDMN C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cc(Cl)ccc1[O-] ZINC000903283937 711088682 /nfs/dbraw/zinc/08/86/82/711088682.db2.gz YIHCUNRWAORFGY-XHDPSFHLSA-N 0 1 314.813 1.389 20 10 DDCDMN C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894747402 711257225 /nfs/dbraw/zinc/25/72/25/711257225.db2.gz KTPNDFGZIUAVAK-FZMZJTMJSA-N 0 1 312.360 1.965 20 10 DDCDMN COc1ccc(N2CCN(C[C@@H](O)C3(O)CCCC3)CC2)cc1 ZINC000905873565 712171273 /nfs/dbraw/zinc/17/12/73/712171273.db2.gz BSXKGHAEUSDSMP-QGZVFWFLSA-N 0 1 320.433 1.483 20 10 DDCDMN CC(=O)NCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](C)C(=O)[O-] ZINC000923249377 714284570 /nfs/dbraw/zinc/28/45/70/714284570.db2.gz VTYRMGRLRCMNHO-ZDUSSCGKSA-N 0 1 321.421 1.472 20 10 DDCDMN CC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001193625617 746153162 /nfs/dbraw/zinc/15/31/62/746153162.db2.gz KYXZQKUKCZUJOL-YMTOWFKASA-N 0 1 310.737 1.102 20 10 DDCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1N ZINC001193923701 746238626 /nfs/dbraw/zinc/23/86/26/746238626.db2.gz GYYCEERGVOLXDI-UHFFFAOYSA-N 0 1 322.342 1.562 20 10 DDCDMN CC(C)C(=O)NCCC1=CCN(c2ncnc3[nH]cnc32)CC1 ZINC001089807000 747896746 /nfs/dbraw/zinc/89/67/46/747896746.db2.gz CVSGOTRRCLZUGL-UHFFFAOYSA-N 0 1 314.393 1.652 20 10 DDCDMN CC(C)CC(=O)N1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144514776 772558358 /nfs/dbraw/zinc/55/83/58/772558358.db2.gz RQBFESGWWHAFIV-UHFFFAOYSA-N 0 1 308.378 1.494 20 10 DDCDMN CC[NH+]1CCC(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001146788239 772949790 /nfs/dbraw/zinc/94/97/90/772949790.db2.gz POULUHUTFRHWJC-UHFFFAOYSA-N 0 1 306.362 1.129 20 10 DDCDMN C[C@H]1OCC[C@]1(O)C[NH2+]Cc1c([O-])cccc1Br ZINC000706821746 836661849 /nfs/dbraw/zinc/66/18/49/836661849.db2.gz OJGHBBFGMSRGJY-RNCFNFMXSA-N 0 1 316.195 1.784 20 10 DDCDMN CNC(=O)[C@@H]1CC12CCN(Cc1cc(O)c(O)c(OC)c1)CC2 ZINC001272988783 847750437 /nfs/dbraw/zinc/75/04/37/847750437.db2.gz WZTYXJICGUPJBR-LBPRGKRZSA-N 0 1 320.389 1.455 20 10 DDCDMN COc1cc(CN2CCC[C@@]23CCN(C)C3=O)c(O)c(OC)c1 ZINC001274393736 852228382 /nfs/dbraw/zinc/22/83/82/852228382.db2.gz DESBSHYEPLJZIN-KRWDZBQOSA-N 0 1 320.389 1.606 20 10 DDCDMN CO[C@H]1C[N@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C[C@@H]1F ZINC001139126403 860297071 /nfs/dbraw/zinc/29/70/71/860297071.db2.gz FTGVNCHVVARHHM-JSGCOSHPSA-N 0 1 307.321 1.976 20 10 DDCDMN CO[C@H]1C[N@@H+](Cc2c([O-])ccc3c(C)cc(=O)oc32)C[C@@H]1F ZINC001139126403 860297074 /nfs/dbraw/zinc/29/70/74/860297074.db2.gz FTGVNCHVVARHHM-JSGCOSHPSA-N 0 1 307.321 1.976 20 10 DDCDMN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CC[C@@H]1O ZINC001140660340 860669445 /nfs/dbraw/zinc/66/94/45/860669445.db2.gz ONEKEZIBRJXQJV-GUYCJALGSA-N 0 1 308.397 1.865 20 10 DDCDMN CN(C)c1ccc(CN2CC[C@@](C)(CO)[C@@H](O)C2)c(Cl)c1 ZINC001140922207 860732320 /nfs/dbraw/zinc/73/23/20/860732320.db2.gz KNGZVWISXLLUHG-HOTGVXAUSA-N 0 1 312.841 1.971 20 10 DDCDMN CN1CCOc2cc(CN3CCC[C@@]4(CNC(=O)O4)C3)ccc21 ZINC001141143668 860793898 /nfs/dbraw/zinc/79/38/98/860793898.db2.gz FJAWUTUMMPVIDK-QGZVFWFLSA-N 0 1 317.389 1.590 20 10 DDCDMN CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1cc(C(C)C)ccc1O ZINC001308861158 871534420 /nfs/dbraw/zinc/53/44/20/871534420.db2.gz VHZKAWAWDRPJEJ-ZFWWWQNUSA-N 0 1 313.419 1.417 20 10 DDCDMN COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(F)c1[O-] ZINC001276537855 873342738 /nfs/dbraw/zinc/34/27/38/873342738.db2.gz NYCMFQWBAHRGDR-HOTGVXAUSA-N 0 1 324.396 1.800 20 10 DDCDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1cccc(O)c1O ZINC001347234006 874067340 /nfs/dbraw/zinc/06/73/40/874067340.db2.gz LRWRXFYSAMSNNS-OTYXRUKQSA-N 0 1 301.346 1.803 20 10 DDCDMN CN(C)C(=O)c1[nH]nc2c1CN(Cc1ccc(O)c(O)c1)C2 ZINC001276913385 881067612 /nfs/dbraw/zinc/06/76/12/881067612.db2.gz CDKSHUSVGKEFDW-UHFFFAOYSA-N 0 1 302.334 1.039 20 10 DDCDMN CCOc1cccc(CN2CC[C@H]3C[C@]32C(=O)N(C)C)c1O ZINC001277454447 884450227 /nfs/dbraw/zinc/45/02/27/884450227.db2.gz RSEAJXLFOIJOII-SUMWQHHRSA-N 0 1 304.390 1.844 20 10 DDCDMN O=C([O-])c1ccc(O)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC001231561787 885731944 /nfs/dbraw/zinc/73/19/44/885731944.db2.gz ZMHSKRKKXSMTOP-ZDUSSCGKSA-N 0 1 319.279 1.837 20 10 DDCDMN COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001231858069 885911757 /nfs/dbraw/zinc/91/17/57/885911757.db2.gz QTZBVPTYTQMUKC-MRXNPFEDSA-N 0 1 305.422 1.814 20 10 DDCDMN COc1cc(N(C)C)ccc1CN1CC[C@@H](N(C)C(C)=O)C1 ZINC001231858069 885911763 /nfs/dbraw/zinc/91/17/63/885911763.db2.gz QTZBVPTYTQMUKC-MRXNPFEDSA-N 0 1 305.422 1.814 20 10 DDCDMN CN(C)C(=O)[C@@H]1CCSC12CN(Cc1cc(O)ccc1O)C2 ZINC001277660108 886330196 /nfs/dbraw/zinc/33/01/96/886330196.db2.gz PCAOYDGYUUVVGB-ZDUSSCGKSA-N 0 1 322.430 1.494 20 10 DDCDMN C[C@@H]1CN(Cc2cc(O)c(O)cc2O)CC[C@]1(O)C(F)(F)F ZINC001233483134 887015382 /nfs/dbraw/zinc/01/53/82/887015382.db2.gz OSYCVXFIRCNYBX-AMIZOPFISA-N 0 1 321.295 1.939 20 10 DDCDMN CN1CCN(Cc2cccc(OC(F)(F)F)c2O)CCC1=O ZINC001233760538 887288076 /nfs/dbraw/zinc/28/80/76/887288076.db2.gz GWPBZVZMLZKRMS-UHFFFAOYSA-N 0 1 318.295 1.955 20 10 DDCDMN COc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c([O-])c1Cl ZINC001236801179 889360287 /nfs/dbraw/zinc/36/02/87/889360287.db2.gz HBOIYMBXHUZPGZ-GHMZBOCLSA-N 0 1 301.770 1.229 20 10 DDCDMN CO[C@@H]1CCN(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC001237209722 889545770 /nfs/dbraw/zinc/54/57/70/889545770.db2.gz XCKRPWVIAQJLJK-MRXNPFEDSA-N 0 1 324.446 1.142 20 10 DDCDMN COc1cc(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)c(O)c(OC)c1 ZINC001237679019 889799408 /nfs/dbraw/zinc/79/94/08/889799408.db2.gz SQELJKDHXQCWLO-CYBMUJFWSA-N 0 1 322.405 1.314 20 10 DDCDMN COc1cc(CN2CC(N(C)[C@@H]3CCOC3)C2)c(O)c(OC)c1 ZINC001237679019 889799418 /nfs/dbraw/zinc/79/94/18/889799418.db2.gz SQELJKDHXQCWLO-CYBMUJFWSA-N 0 1 322.405 1.314 20 10 DDCDMN C[C@@H]1CN(C(=O)c2cccc(O)c2O)CCN1CC(C)(C)O ZINC000275555547 130336817 /nfs/dbraw/zinc/33/68/17/130336817.db2.gz IIEGAPKTQXWRSL-LLVKDONJSA-N 0 1 308.378 1.015 20 10 DDCDMN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](CO)C2)cc1 ZINC000072817147 406885109 /nfs/dbraw/zinc/88/51/09/406885109.db2.gz IYDJJRJWNQAHNL-INIZCTEOSA-N 0 1 319.449 1.415 20 10 DDCDMN C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(Br)cc1[O-] ZINC000186178545 407594775 /nfs/dbraw/zinc/59/47/75/407594775.db2.gz SUKRJZPNESMXEI-NOZJJQNGSA-N 0 1 316.195 1.957 20 10 DDCDMN Cc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)c(O)c1O ZINC000186893799 407790946 /nfs/dbraw/zinc/79/09/46/407790946.db2.gz CEYUIGGCCRODGF-GFCCVEGCSA-N 0 1 322.405 1.323 20 10 DDCDMN Cc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c(O)c1O ZINC000186893774 407791184 /nfs/dbraw/zinc/79/11/84/407791184.db2.gz CEYUIGGCCRODGF-LBPRGKRZSA-N 0 1 322.405 1.323 20 10 DDCDMN C[C@H]1CN(C2CCN(C(=O)c3cccc(O)c3O)CC2)CCO1 ZINC000187025049 407812474 /nfs/dbraw/zinc/81/24/74/407812474.db2.gz CBZRFCSOIPXFLR-LBPRGKRZSA-N 0 1 320.389 1.423 20 10 DDCDMN CCN(CC)c1ccc(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 ZINC000366763681 418514948 /nfs/dbraw/zinc/51/49/48/418514948.db2.gz CFTMAMOMQCIAPH-IAGOWNOFSA-N 0 1 317.433 1.622 20 10 DDCDMN c1cc(N2CCOCC2)ccc1CN1CCN2CCOC[C@H]2C1 ZINC000368285312 418714372 /nfs/dbraw/zinc/71/43/72/418714372.db2.gz URLCMLRLQSVQCE-GOSISDBHSA-N 0 1 317.433 1.040 20 10 DDCDMN Cc1cc(O)c(CN2CCN3C(=O)N(C)C(=O)[C@H]3C2)cc1C ZINC000369416226 418733174 /nfs/dbraw/zinc/73/31/74/418733174.db2.gz FHXDQWUMRSYZJV-CYBMUJFWSA-N 0 1 303.362 1.087 20 10 DDCDMN CN(C)c1ccc(CN(C)C(=O)CN2C[C@H](O)C3(CC3)C2)cc1 ZINC000372289810 418851772 /nfs/dbraw/zinc/85/17/72/418851772.db2.gz RUTOZZALQJLLEW-INIZCTEOSA-N 0 1 317.433 1.168 20 10 DDCDMN CCN(CC)c1ccc(C[NH2+]Cc2cn(CC(=O)[O-])nn2)cc1 ZINC000833654499 605120888 /nfs/dbraw/zinc/12/08/88/605120888.db2.gz SEMYUNLCQDXDJU-UHFFFAOYSA-N 0 1 317.393 1.499 20 10 DDCDMN CCOc1ccc(O)c(C[N@H+]2CC[C@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000833662889 605488969 /nfs/dbraw/zinc/48/89/69/605488969.db2.gz LOERWLMIDLHHOI-GXTWGEPZSA-N 0 1 309.362 1.855 20 10 DDCDMN C[C@H](NC(=O)c1ncn[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000746151162 700007825 /nfs/dbraw/zinc/00/78/25/700007825.db2.gz FKRKWSIHPHSOJW-NSHDSACASA-N 0 1 301.350 1.132 20 10 DDCDMN C[C@H](NC(=O)c1nc[nH]n1)c1ccc(N2CCOCC2)cc1 ZINC000746151162 700007828 /nfs/dbraw/zinc/00/78/28/700007828.db2.gz FKRKWSIHPHSOJW-NSHDSACASA-N 0 1 301.350 1.132 20 10 DDCDMN CCN(CCC[NH2+]Cc1cc(Cl)ccc1[O-])S(C)(=O)=O ZINC000038035419 696135252 /nfs/dbraw/zinc/13/52/52/696135252.db2.gz HHSUXVRCWASDTA-UHFFFAOYSA-N 0 1 320.842 1.807 20 10 DDCDMN CNC(=S)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000747766073 700085528 /nfs/dbraw/zinc/08/55/28/700085528.db2.gz PPWZTRSYZNFXOO-UHFFFAOYSA-N 0 1 322.478 1.301 20 10 DDCDMN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1 ZINC000115068108 696664120 /nfs/dbraw/zinc/66/41/20/696664120.db2.gz SGZBTBAWNZBZMP-UHFFFAOYSA-N 0 1 307.327 1.980 20 10 DDCDMN C[C@H](NC(=O)c1cnn[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000148497494 696874811 /nfs/dbraw/zinc/87/48/11/696874811.db2.gz SIKUWTISAPKZNR-NSHDSACASA-N 0 1 301.350 1.132 20 10 DDCDMN CN(C)c1ccc(CN2CCC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000154042104 696925713 /nfs/dbraw/zinc/92/57/13/696925713.db2.gz WKQJGXPYHPCKMP-CQSZACIVSA-N 0 1 311.451 1.266 20 10 DDCDMN COc1cccc(O)c1CN1CCN(c2nccnc2C)CC1 ZINC000799735849 700163626 /nfs/dbraw/zinc/16/36/26/700163626.db2.gz MHKFYNZAACVHJU-UHFFFAOYSA-N 0 1 314.389 1.821 20 10 DDCDMN C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1nnnn1C1CC1 ZINC000191824975 697614713 /nfs/dbraw/zinc/61/47/13/697614713.db2.gz XUJYSKNQUZEBTH-MRVPVSSYSA-N 0 1 304.310 1.473 20 10 DDCDMN C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1O ZINC000249596378 698395242 /nfs/dbraw/zinc/39/52/42/698395242.db2.gz WYMDAKJIQVITSO-CZUORRHYSA-N 0 1 305.422 1.072 20 10 DDCDMN CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000398503937 699120817 /nfs/dbraw/zinc/12/08/17/699120817.db2.gz NDIVAQMZMUUGTO-SNVBAGLBSA-N 0 1 310.781 1.816 20 10 DDCDMN CNC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000398503937 699120819 /nfs/dbraw/zinc/12/08/19/699120819.db2.gz NDIVAQMZMUUGTO-SNVBAGLBSA-N 0 1 310.781 1.816 20 10 DDCDMN CNC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000398503937 699120821 /nfs/dbraw/zinc/12/08/21/699120821.db2.gz NDIVAQMZMUUGTO-SNVBAGLBSA-N 0 1 310.781 1.816 20 10 DDCDMN COC[C@@H](CCO)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701061331 699225496 /nfs/dbraw/zinc/22/54/96/699225496.db2.gz WWICEVZLGGUXEN-LLVKDONJSA-N 0 1 304.184 1.642 20 10 DDCDMN C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c([O-])cccc1Br ZINC000706833710 699244846 /nfs/dbraw/zinc/24/48/46/699244846.db2.gz BUIXCFSEMULDBD-QMMMGPOBSA-N 0 1 322.224 1.677 20 10 DDCDMN C[C@@H](CS(C)(=O)=O)NCc1c(O)cccc1Br ZINC000706833710 699244849 /nfs/dbraw/zinc/24/48/49/699244849.db2.gz BUIXCFSEMULDBD-QMMMGPOBSA-N 0 1 322.224 1.677 20 10 DDCDMN COC[C@@](C)(CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000716856484 699284929 /nfs/dbraw/zinc/28/49/29/699284929.db2.gz SWUKVZSYDSNFQG-GFCCVEGCSA-N 0 1 304.184 1.642 20 10 DDCDMN CCOCc1cc(CNC[C@H](C)S(C)(=O)=O)ccc1OC ZINC000754085727 700482207 /nfs/dbraw/zinc/48/22/07/700482207.db2.gz OXFUDZTWMUSMLK-LBPRGKRZSA-N 0 1 315.435 1.754 20 10 DDCDMN CS(=O)(=O)[C@H]1CCCN(Cc2c(O)ccc3ccncc32)C1 ZINC000763380708 700936141 /nfs/dbraw/zinc/93/61/41/700936141.db2.gz BRGWIIHFWLTBDV-ZDUSSCGKSA-N 0 1 320.414 1.949 20 10 DDCDMN C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)CN1C ZINC000839537355 701729989 /nfs/dbraw/zinc/72/99/89/701729989.db2.gz VAFMJNQJBYKODD-GJZGRUSLSA-N 0 1 318.465 1.393 20 10 DDCDMN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](C)N1C ZINC000814928823 701772864 /nfs/dbraw/zinc/77/28/64/701772864.db2.gz MAHHCNNICOVWSW-AOOOYVTPSA-N 0 1 320.349 1.455 20 10 DDCDMN COc1ccc(O)c(CNc2cc(-n3cccn3)nc(N)n2)c1 ZINC000811806072 702064030 /nfs/dbraw/zinc/06/40/30/702064030.db2.gz IYLIQANJYQIRRI-UHFFFAOYSA-N 0 1 312.333 1.571 20 10 DDCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCS1(=O)=O ZINC000816512966 702102843 /nfs/dbraw/zinc/10/28/43/702102843.db2.gz ASMSFXYAUDXLHA-MRVPVSSYSA-N 0 1 307.774 1.804 20 10 DDCDMN C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc2ccccc2c1[O-] ZINC000840805640 702245187 /nfs/dbraw/zinc/24/51/87/702245187.db2.gz SFDMTPMOJNLLOB-JSGCOSHPSA-N 0 1 312.373 1.849 20 10 DDCDMN C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000841436058 702449865 /nfs/dbraw/zinc/44/98/65/702449865.db2.gz HBPXWVTUKQLYGJ-ANLVUFKYSA-N 0 1 319.144 1.812 20 10 DDCDMN CCS(=O)(=O)C1CN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000841886352 702606337 /nfs/dbraw/zinc/60/63/37/702606337.db2.gz OGHRLKFQQXTXCZ-UHFFFAOYSA-N 0 1 307.774 1.804 20 10 DDCDMN C[C@H](C[NH3+])NC(=O)NCc1cccc(Br)c1[O-] ZINC000841968942 702639763 /nfs/dbraw/zinc/63/97/63/702639763.db2.gz GQERKJCTLZUFMG-SSDOTTSWSA-N 0 1 302.172 1.301 20 10 DDCDMN CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ncccc2[O-])cc1 ZINC000843296564 702855568 /nfs/dbraw/zinc/85/55/68/702855568.db2.gz BCLKCUIZBFZXJS-CYBMUJFWSA-N 0 1 300.362 1.283 20 10 DDCDMN COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843434524 702881310 /nfs/dbraw/zinc/88/13/10/702881310.db2.gz ZHLVVKGKUAPFEU-UWVGGRQHSA-N 0 1 317.744 1.541 20 10 DDCDMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846254072 703256843 /nfs/dbraw/zinc/25/68/43/703256843.db2.gz CMNYCLXEHLMAAE-KOLCDFICSA-N 0 1 304.350 1.896 20 10 DDCDMN COc1cc(C)cc(CN2CCN(c3nncn3C)CC2)c1O ZINC000848496788 703557895 /nfs/dbraw/zinc/55/78/95/703557895.db2.gz FESROXKZCSIILT-UHFFFAOYSA-N 0 1 317.393 1.160 20 10 DDCDMN COc1ccc(N2CC[C@@H](NCc3cncnc3OC)C2)cc1 ZINC000850347173 703725801 /nfs/dbraw/zinc/72/58/01/703725801.db2.gz PCRNLMRPUARKHS-CQSZACIVSA-N 0 1 314.389 1.862 20 10 DDCDMN C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)C1O ZINC000852503908 704064321 /nfs/dbraw/zinc/06/43/21/704064321.db2.gz VDOSNPUOQXMOBS-ZIAGYGMSSA-N 0 1 319.449 1.318 20 10 DDCDMN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3CCCN3C)C2)cc1 ZINC000819582359 704145196 /nfs/dbraw/zinc/14/51/96/704145196.db2.gz KTMPTGFYAOQQFC-RHSMWYFYSA-N 0 1 317.433 1.732 20 10 DDCDMN COC[C@@H](OC)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854474403 704403662 /nfs/dbraw/zinc/40/36/62/704403662.db2.gz KKWNZJLKOUMZAH-SNVBAGLBSA-N 0 1 308.161 1.977 20 10 DDCDMN CCOc1ccc(C[N@H+]2CC[C@](COC)(C(=O)[O-])C2)c(O)c1 ZINC000874042308 704924504 /nfs/dbraw/zinc/92/45/04/704924504.db2.gz BWQMLHOCEMTBBN-INIZCTEOSA-N 0 1 309.362 1.714 20 10 DDCDMN CN(CCOCCO)Cc1c(O)cccc1Br ZINC000862357433 705699949 /nfs/dbraw/zinc/69/99/49/705699949.db2.gz YYLQGQLUGUKLNV-UHFFFAOYSA-N 0 1 304.184 1.595 20 10 DDCDMN Oc1c(F)cc(Cl)cc1CN1CCN(c2nccnn2)CC1 ZINC000862442572 705718411 /nfs/dbraw/zinc/71/84/11/705718411.db2.gz IODWXNUWYVYTJF-UHFFFAOYSA-N 0 1 323.759 1.692 20 10 DDCDMN CN(Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCN(C)C1=O ZINC000876754156 705858167 /nfs/dbraw/zinc/85/81/67/705858167.db2.gz PUBIFGNFLOTIGP-KRWDZBQOSA-N 0 1 317.433 1.310 20 10 DDCDMN COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877608701 706157875 /nfs/dbraw/zinc/15/78/75/706157875.db2.gz VCCSRCAOABPJJE-UWVGGRQHSA-N 0 1 301.289 1.026 20 10 DDCDMN C[C@]12C[NH+](Cc3cc(Cl)ccc3[O-])C[C@]1(C)C(=O)NC2=O ZINC000877668262 706174875 /nfs/dbraw/zinc/17/48/75/706174875.db2.gz ININVDYGPZFNEX-HUUCEWRRSA-N 0 1 308.765 1.530 20 10 DDCDMN Cc1cc([O-])c(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c(Cl)c1 ZINC000877668522 706175568 /nfs/dbraw/zinc/17/55/68/706175568.db2.gz QNWNFVSSVHWJMO-HZPDHXFCSA-N 0 1 322.792 1.839 20 10 DDCDMN COC(=O)C1=NO[C@]2(CCN(Cc3cccc(OC)c3O)C2)C1 ZINC000877714147 706186615 /nfs/dbraw/zinc/18/66/15/706186615.db2.gz LZROWTCONWHSII-MRXNPFEDSA-N 0 1 320.345 1.295 20 10 DDCDMN C[C@H](NCc1cn(C[C@H]2CCOC2)nn1)c1ccccc1O ZINC000877758201 706199990 /nfs/dbraw/zinc/19/99/90/706199990.db2.gz MQPFCYOMCFITLH-QWHCGFSZSA-N 0 1 302.378 1.871 20 10 DDCDMN CN(C)c1ccc(CN(C(=O)[C@@H](O)c2c[nH]cn2)C2CC2)cc1 ZINC000864785525 706262765 /nfs/dbraw/zinc/26/27/65/706262765.db2.gz FLHDGSKASXKTLI-INIZCTEOSA-N 0 1 314.389 1.700 20 10 DDCDMN NCc1cc(C(=O)NCCCSc2nccs2)ccn1 ZINC000829527785 706350821 /nfs/dbraw/zinc/35/08/21/706350821.db2.gz FWTOARZAJSPXMD-UHFFFAOYSA-N 0 1 308.432 1.909 20 10 DDCDMN Cc1nonc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881850860 707392375 /nfs/dbraw/zinc/39/23/75/707392375.db2.gz IZCWCTQLFLGHGB-UHFFFAOYSA-N 0 1 315.377 1.060 20 10 DDCDMN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000839152747 708031160 /nfs/dbraw/zinc/03/11/60/708031160.db2.gz BNUJJMNIBJIBQJ-CYBMUJFWSA-N 0 1 316.195 1.474 20 10 DDCDMN [O-]c1ccc2ccncc2c1C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000902626850 710825742 /nfs/dbraw/zinc/82/57/42/710825742.db2.gz NWFJPSIYPWCYAG-DOTOQJQBSA-N 0 1 300.358 1.930 20 10 DDCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000902626850 710825748 /nfs/dbraw/zinc/82/57/48/710825748.db2.gz NWFJPSIYPWCYAG-DOTOQJQBSA-N 0 1 300.358 1.930 20 10 DDCDMN CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1c([O-])cccc1Br ZINC000895320712 711483458 /nfs/dbraw/zinc/48/34/58/711483458.db2.gz IPQGXXSHIVXGQY-NSHDSACASA-N 0 1 313.195 1.769 20 10 DDCDMN CC1(C)CNC(=O)[C@@H]1NCc1c(O)cccc1Br ZINC000895320712 711483461 /nfs/dbraw/zinc/48/34/61/711483461.db2.gz IPQGXXSHIVXGQY-NSHDSACASA-N 0 1 313.195 1.769 20 10 DDCDMN COc1cccc(O)c1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895722628 711588185 /nfs/dbraw/zinc/58/81/85/711588185.db2.gz YBFNBNYFGYLTBP-ZDUSSCGKSA-N 0 1 307.390 1.764 20 10 DDCDMN CCCNC(=S)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000905531028 712066784 /nfs/dbraw/zinc/06/67/84/712066784.db2.gz SPZBZEDSNMKTQS-UHFFFAOYSA-N 0 1 306.479 1.813 20 10 DDCDMN O=C(NCc1c(O)cccc1F)N[C@H]1CCc2[nH]cnc2C1 ZINC000922532261 714080116 /nfs/dbraw/zinc/08/01/16/714080116.db2.gz DSPZCWCDCNMREJ-VIFPVBQESA-N 0 1 304.325 1.611 20 10 DDCDMN O=C1C[C@H](CC[NH2+]Cc2cc(Br)ccc2[O-])CN1 ZINC000922782211 714146428 /nfs/dbraw/zinc/14/64/28/714146428.db2.gz PKFWUVWETMYEEC-VIFPVBQESA-N 0 1 313.195 1.771 20 10 DDCDMN COC1(OC)CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000924712541 714647365 /nfs/dbraw/zinc/64/73/65/714647365.db2.gz ZKTQQNWXOORLAM-MRXNPFEDSA-N 0 1 324.396 1.903 20 10 DDCDMN CC(C)(O)CC[NH+]1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142530354 742147819 /nfs/dbraw/zinc/14/78/19/742147819.db2.gz FTYCFJYRCJRXQA-UHFFFAOYSA-N 0 1 314.376 1.949 20 10 DDCDMN CC(C)N1CC[C@H]1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001182848404 743727647 /nfs/dbraw/zinc/72/76/47/743727647.db2.gz HQKYSVSMJKTYNR-AWEZNQCLSA-N 0 1 304.390 1.855 20 10 DDCDMN NS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001183345854 743828116 /nfs/dbraw/zinc/82/81/16/743828116.db2.gz QCICDIANQYCDNG-NSHDSACASA-N 0 1 318.826 1.689 20 10 DDCDMN O=C(Nc1cccc2c1OCC(=O)N2)c1c(F)ccc(O)c1O ZINC001183648170 743871798 /nfs/dbraw/zinc/87/17/98/743871798.db2.gz VIXQALTZDSONPD-UHFFFAOYSA-N 0 1 318.260 1.820 20 10 DDCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001184363726 744019946 /nfs/dbraw/zinc/01/99/46/744019946.db2.gz AZVANJUDGAZPKM-GXSJLCMTSA-N 0 1 303.761 1.607 20 10 DDCDMN COC(=O)[C@@H]1CC[C@@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001193625318 746153418 /nfs/dbraw/zinc/15/34/18/746153418.db2.gz GWZVLAQHXFXTGG-VXNVDRBHSA-N 0 1 313.737 1.823 20 10 DDCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1C[C@@H](F)C[C@H](CO)C1 ZINC001193606216 746165433 /nfs/dbraw/zinc/16/54/33/746165433.db2.gz WOFCZHGJJBUOJB-CBAPKCEASA-N 0 1 303.717 1.544 20 10 DDCDMN COc1ccc(N2CCN([C@H]3CCN(C(C)=O)C3)CC2)cc1 ZINC001169535318 762492347 /nfs/dbraw/zinc/49/23/47/762492347.db2.gz SDUZMVAXIJOWAB-INIZCTEOSA-N 0 1 303.406 1.438 20 10 DDCDMN CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc2cccnc2c1O ZINC000828635768 759713987 /nfs/dbraw/zinc/71/39/87/759713987.db2.gz KGBNDAKSHGQMBI-DYVFJYSZSA-N 0 1 315.373 1.012 20 10 DDCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001144298990 772471620 /nfs/dbraw/zinc/47/16/20/772471620.db2.gz NZBOKCMXUGMAID-UFBFGSQYSA-N 0 1 320.158 1.079 20 10 DDCDMN C[N@H+]1CCC[C@H]1CCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889867 773271919 /nfs/dbraw/zinc/27/19/19/773271919.db2.gz UUCJMXUJOSORLZ-ZDUSSCGKSA-N 0 1 314.389 1.380 20 10 DDCDMN O=C(C[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)c1ccc([O-])c(O)c1 ZINC001172153700 776675215 /nfs/dbraw/zinc/67/52/15/776675215.db2.gz GIJADBNZXYKTAO-VXGBXAGGSA-N 0 1 304.346 1.024 20 10 DDCDMN COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)cc(F)c1O ZINC001116754345 780553170 /nfs/dbraw/zinc/55/31/70/780553170.db2.gz PYIKOZFAQUBEIF-GXSJLCMTSA-N 0 1 303.717 1.293 20 10 DDCDMN CN1CC[C@]2(CCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1=O ZINC001271794425 844113402 /nfs/dbraw/zinc/11/34/02/844113402.db2.gz VDBAOVYXNJIFRO-OAHLLOKOSA-N 0 1 324.764 1.446 20 10 DDCDMN [O-]c1c(Br)cc(F)cc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001235299954 846406557 /nfs/dbraw/zinc/40/65/57/846406557.db2.gz WIEWAWNLLIIMPG-GZMMTYOYSA-N 0 1 320.158 1.079 20 10 DDCDMN CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C(=O)[O-])cc2F)CC1 ZINC001327409457 862151065 /nfs/dbraw/zinc/15/10/65/862151065.db2.gz GTXDUOPGZKSALU-MRXNPFEDSA-N 0 1 321.396 1.627 20 10 DDCDMN COc1cc(N(C)C)ccc1CN1CCC[C@]12CCN(C)C2=O ZINC001274215844 852046589 /nfs/dbraw/zinc/04/65/89/852046589.db2.gz OXETUCBGOPKOAT-GOSISDBHSA-N 0 1 317.433 1.958 20 10 DDCDMN CCNC(=O)C[N@H+](C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139126734 860296986 /nfs/dbraw/zinc/29/69/86/860296986.db2.gz OLQQHSZUPRLQPE-UHFFFAOYSA-N 0 1 304.346 1.375 20 10 DDCDMN CCNC(=O)C[N@@H+](C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139126734 860296992 /nfs/dbraw/zinc/29/69/92/860296992.db2.gz OLQQHSZUPRLQPE-UHFFFAOYSA-N 0 1 304.346 1.375 20 10 DDCDMN CCO[C@@H]1C[C@H]2CN(Cc3c([O-])cc(F)cc3F)CC[N@H+]2C1 ZINC001140581562 860657395 /nfs/dbraw/zinc/65/73/95/860657395.db2.gz ZDMJYCFYAAGLBM-QWHCGFSZSA-N 0 1 312.360 1.965 20 10 DDCDMN CO[C@H](C)[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(=O)[O-] ZINC001334406345 867545649 /nfs/dbraw/zinc/54/56/49/867545649.db2.gz CIQYIYOUBLAROI-CJNGLKHVSA-N 0 1 321.421 1.016 20 10 DDCDMN COC(=O)C1CC2(C1)C[N@@H+](Cc1ccccc1O)C[C@@H]2C(=O)[O-] ZINC001339207468 870404123 /nfs/dbraw/zinc/40/41/23/870404123.db2.gz QOXBDVIPOVJSSJ-UIORMTCPSA-N 0 1 319.357 1.478 20 10 DDCDMN O=C1CC2(CCN(Cc3ccc(O)c(O)c3)CC2)CC(=O)N1 ZINC001203880251 870816325 /nfs/dbraw/zinc/81/63/25/870816325.db2.gz NBDTWRXWEVJZFS-UHFFFAOYSA-N 0 1 304.346 1.117 20 10 DDCDMN CCOCc1cc(CNCC(=O)N2CCCO2)ccc1OC ZINC001308546769 871508092 /nfs/dbraw/zinc/50/80/92/871508092.db2.gz PWFWMSULOFFUOC-UHFFFAOYSA-N 0 1 308.378 1.485 20 10 DDCDMN Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c1 ZINC001347185445 874048051 /nfs/dbraw/zinc/04/80/51/874048051.db2.gz JRJCJYRYTBWCJY-DZGCQCFKSA-N 0 1 320.437 1.134 20 10 DDCDMN COCOCCCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC001209032236 874621984 /nfs/dbraw/zinc/62/19/84/874621984.db2.gz RCPYXKAANXQKJF-UHFFFAOYSA-N 0 1 324.421 1.836 20 10 DDCDMN CCN(Cc1cc(O)c(Br)cc1O)C1CN(C)C1 ZINC001236762422 889325108 /nfs/dbraw/zinc/32/51/08/889325108.db2.gz OZAAHOPSLAVYAE-UHFFFAOYSA-N 0 1 315.211 1.996 20 10 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[O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001237077484 889494797 /nfs/dbraw/zinc/49/47/97/889494797.db2.gz IBZIIUWIYBUVMW-QPUJVOFHSA-N 0 1 306.189 1.874 20 10 DDCDMN COC(=O)C[C@@H]1CN(Cc2cc(F)cc(Cl)c2O)CCO1 ZINC001237798475 889850777 /nfs/dbraw/zinc/85/07/77/889850777.db2.gz GJOZANNXJMCFNP-LLVKDONJSA-N 0 1 317.744 1.949 20 10 DDCDMN COC(=O)Cc1ccc(CN2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC001249177742 893855532 /nfs/dbraw/zinc/85/55/32/893855532.db2.gz IPTGIJYSWZCTIW-QGZVFWFLSA-N 0 1 321.373 1.099 20 10 DDCDMN COC(=O)Cc1ccc(CN2CCN(C(C)=O)[C@H](C)C2)c(O)c1 ZINC001249215292 893873501 /nfs/dbraw/zinc/87/35/01/893873501.db2.gz ZOLRTAPWSRZQRF-GFCCVEGCSA-N 0 1 320.389 1.160 20 10 DDCDMN CCc1nc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000297765033 132032393 /nfs/dbraw/zinc/03/23/93/132032393.db2.gz VYOYJGPOTGFNAW-UHFFFAOYSA-N 0 1 316.409 1.775 20 10 DDCDMN Cn1nc2c(cc1=O)CN(Cc1cc(Cl)ccc1O)CC2 ZINC000093756304 407201952 /nfs/dbraw/zinc/20/19/52/407201952.db2.gz QYXRTTRVICNKJO-UHFFFAOYSA-N 0 1 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597390201 /nfs/dbraw/zinc/39/02/01/597390201.db2.gz QCPZHTRGOATVDK-AWEZNQCLSA-N 0 1 323.389 1.984 20 10 DDCDMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000821511656 598129867 /nfs/dbraw/zinc/12/98/67/598129867.db2.gz OOFRWCVUCPHLAM-ZDUSSCGKSA-N 0 1 308.353 1.569 20 10 DDCDMN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000739656959 600705159 /nfs/dbraw/zinc/70/51/59/600705159.db2.gz ADSFSLSGZHBKRM-JTQLQIEISA-N 0 1 311.359 1.513 20 10 DDCDMN COc1cc(O)c(C[N@H+]2C[C@@H](CNC(=O)[O-])C[C@@H]2C)cc1OC ZINC000833887600 605499162 /nfs/dbraw/zinc/49/91/62/605499162.db2.gz ITTKFVROPNPAPY-WDEREUQCSA-N 0 1 324.377 1.887 20 10 DDCDMN C[C@@H]1[C@@H](C)[N@H+](Cc2cc3c(cc2O)OCO3)CCN1C(=O)[O-] ZINC000833826049 606013292 /nfs/dbraw/zinc/01/32/92/606013292.db2.gz FOGLKDGBSHZLGA-NXEZZACHSA-N 0 1 308.334 1.694 20 10 DDCDMN C[C@@H]1[C@@H](C)[N@@H+](Cc2cc3c(cc2O)OCO3)CCN1C(=O)[O-] ZINC000833826049 606013296 /nfs/dbraw/zinc/01/32/96/606013296.db2.gz FOGLKDGBSHZLGA-NXEZZACHSA-N 0 1 308.334 1.694 20 10 DDCDMN O=C(CN1CCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000051126425 696237086 /nfs/dbraw/zinc/23/70/86/696237086.db2.gz WOAGZJBUYSBRQA-UHFFFAOYSA-N 0 1 321.396 1.374 20 10 DDCDMN CN(CC(=O)N(C)Cc1cnn(C)c1)Cc1ccccc1O ZINC000109771159 696638302 /nfs/dbraw/zinc/63/83/02/696638302.db2.gz NMFCVUJWHNAKGB-UHFFFAOYSA-N 0 1 302.378 1.216 20 10 DDCDMN CN1CCCc2cc(CNC(=O)C[C@H]3COCCN3)ccc21 ZINC000285782022 698557186 /nfs/dbraw/zinc/55/71/86/698557186.db2.gz NIAIWAPIZILPMN-HNNXBMFYSA-N 0 1 303.406 1.064 20 10 DDCDMN NS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000785986521 699115832 /nfs/dbraw/zinc/11/58/32/699115832.db2.gz VBUMNLMJKAXIJW-VIFPVBQESA-N 0 1 308.762 1.048 20 10 DDCDMN NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000785986521 699115834 /nfs/dbraw/zinc/11/58/34/699115834.db2.gz VBUMNLMJKAXIJW-VIFPVBQESA-N 0 1 308.762 1.048 20 10 DDCDMN NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000785986521 699115836 /nfs/dbraw/zinc/11/58/36/699115836.db2.gz VBUMNLMJKAXIJW-VIFPVBQESA-N 0 1 308.762 1.048 20 10 DDCDMN CN1C[C@@H]([NH2+]Cc2c([O-])cccc2Br)CCC1=O ZINC000706852062 699244811 /nfs/dbraw/zinc/24/48/11/699244811.db2.gz KXRDVLFZRQAPSZ-VIFPVBQESA-N 0 1 313.195 1.865 20 10 DDCDMN CS(=O)(=O)[C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000708386820 699249944 /nfs/dbraw/zinc/24/99/44/699249944.db2.gz XDFDDHRUNWBSNA-NSHDSACASA-N 0 1 305.346 1.679 20 10 DDCDMN CSc1cc(O)ccc1NS(=O)(=O)c1c(C)cnn1C ZINC000795352727 699860958 /nfs/dbraw/zinc/86/09/58/699860958.db2.gz JJZCPHDQTOXOGZ-UHFFFAOYSA-N 0 1 313.404 1.957 20 10 DDCDMN Oc1cc2c(cc1CN1CCCC[C@H]1C1OCCO1)[C@@H](O)CO2 ZINC000768445029 701177504 /nfs/dbraw/zinc/17/75/04/701177504.db2.gz DKOVGFKVQCSVCK-ZFWWWQNUSA-N 0 1 321.373 1.545 20 10 DDCDMN Oc1cc2c(cc1CN1CCOC3(CCOCC3)C1)[C@H](O)CO2 ZINC000768462118 701179600 /nfs/dbraw/zinc/17/96/00/701179600.db2.gz JPGKGIZQKHEACZ-OAHLLOKOSA-N 0 1 321.373 1.199 20 10 DDCDMN COc1cc(CN2CCN3C(=O)OCC[C@@H]3C2)c(O)cc1C ZINC000768465915 701180632 /nfs/dbraw/zinc/18/06/32/701180632.db2.gz SITIVQWSEDQAEO-CYBMUJFWSA-N 0 1 306.362 1.736 20 10 DDCDMN Cn1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1N ZINC000807836624 701487857 /nfs/dbraw/zinc/48/78/57/701487857.db2.gz HPRSGUMQBHPWCY-UHFFFAOYSA-N 0 1 315.160 1.945 20 10 DDCDMN NS(=O)(=O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000816569214 702114953 /nfs/dbraw/zinc/11/49/53/702114953.db2.gz COZZOYPQRXYVFY-VIFPVBQESA-N 0 1 322.789 1.438 20 10 DDCDMN C[C@@H]1CN(CCCNC(=O)Nc2ccc(N)cc2)C[C@@H](C)O1 ZINC000841301612 702417685 /nfs/dbraw/zinc/41/76/85/702417685.db2.gz ARFURVDJDBCFLD-CHWSQXEVSA-N 0 1 306.410 1.890 20 10 DDCDMN COc1ccc(N2CCN(CCc3cn[nH]c3)CC2)c(OC)c1 ZINC000879461652 706686035 /nfs/dbraw/zinc/68/60/35/706686035.db2.gz DRSGDYYMHRCLTD-UHFFFAOYSA-N 0 1 316.405 1.792 20 10 DDCDMN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000844855890 703078777 /nfs/dbraw/zinc/07/87/77/703078777.db2.gz CSVMKVMCIHNZCD-ZIAGYGMSSA-N 0 1 307.350 1.255 20 10 DDCDMN [O-]c1ccc(Cl)cc1C[NH2+]C[C@]1(OCCO)CCOC1 ZINC000850358544 703726950 /nfs/dbraw/zinc/72/69/50/703726950.db2.gz RTNREDVVVVFKOR-CQSZACIVSA-N 0 1 301.770 1.303 20 10 DDCDMN CN(Cc1ccccc1O)C(=O)C(C)(C)CN1CCOCC1 ZINC000820877997 704341566 /nfs/dbraw/zinc/34/15/66/704341566.db2.gz GQTAKVPPWBFCBL-UHFFFAOYSA-N 0 1 306.406 1.709 20 10 DDCDMN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N(C)C ZINC000821196147 704380053 /nfs/dbraw/zinc/38/00/53/704380053.db2.gz ZLQFFOQLTZADDA-HIFRSBDPSA-N 0 1 306.406 1.850 20 10 DDCDMN C[C@@H]1CCN(S(=O)(=O)NN=c2[nH]c3cccnc3s2)C1 ZINC000857225348 704565936 /nfs/dbraw/zinc/56/59/36/704565936.db2.gz KFGPXFKDTPDIFH-MRVPVSSYSA-N 0 1 313.408 1.194 20 10 DDCDMN O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c(F)ccc(O)c1[O-] ZINC000857328560 704579571 /nfs/dbraw/zinc/57/95/71/704579571.db2.gz DFKSDZFJHJQGNX-NSHDSACASA-N 0 1 324.352 1.220 20 10 DDCDMN COc1ccc(N2CCN(C[C@@H](O)CC3(O)CCC3)CC2)cc1 ZINC000859056283 704792025 /nfs/dbraw/zinc/79/20/25/704792025.db2.gz WDYIVCHKNSBXKZ-INIZCTEOSA-N 0 1 320.433 1.483 20 10 DDCDMN NC(=O)N=Nc1ccc(C(=O)N2CCN3CCC2CC3)cc1 ZINC000822339635 704922547 /nfs/dbraw/zinc/92/25/47/704922547.db2.gz HYBSWNPQETXZMQ-UHFFFAOYSA-N 0 1 301.350 1.769 20 10 DDCDMN CCc1nc(CNCc2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000824446543 705454097 /nfs/dbraw/zinc/45/40/97/705454097.db2.gz YUGCLDMRLVDKBV-UHFFFAOYSA-N 0 1 319.384 1.633 20 10 DDCDMN CCCN(Cc1ccccc1O)C(=O)NC[C@H]1COCCN1 ZINC000861681977 705539208 /nfs/dbraw/zinc/53/92/08/705539208.db2.gz NJRGDJMTNDNWET-AWEZNQCLSA-N 0 1 307.394 1.302 20 10 DDCDMN COCCC[N@H+](CCO)Cc1c([O-])cccc1Br ZINC000862337875 705698365 /nfs/dbraw/zinc/69/83/65/705698365.db2.gz YDHRIUBIMZVIPY-UHFFFAOYSA-N 0 1 318.211 1.986 20 10 DDCDMN COCCC[N@@H+](CCO)Cc1c([O-])cccc1Br ZINC000862337875 705698367 /nfs/dbraw/zinc/69/83/67/705698367.db2.gz YDHRIUBIMZVIPY-UHFFFAOYSA-N 0 1 318.211 1.986 20 10 DDCDMN CCOc1ccc(O)c(CN2CCN(c3nccnn3)CC2)c1 ZINC000862437376 705717897 /nfs/dbraw/zinc/71/78/97/705717897.db2.gz RCNHXKOXPDKFPJ-UHFFFAOYSA-N 0 1 315.377 1.298 20 10 DDCDMN NC(=O)C[C@H]1CN(Cc2ccc3ccccc3c2O)CCO1 ZINC000862534517 705728084 /nfs/dbraw/zinc/72/80/84/705728084.db2.gz DKEYWWVSRJVDPU-AWEZNQCLSA-N 0 1 300.358 1.622 20 10 DDCDMN Cc1cccc(O)c1CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000876546545 705753477 /nfs/dbraw/zinc/75/34/77/705753477.db2.gz MRJRMXISXUDPHQ-UHFFFAOYSA-N 0 1 317.433 1.441 20 10 DDCDMN Cc1cccc(O)c1CN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000876556434 705757066 /nfs/dbraw/zinc/75/70/66/705757066.db2.gz RRXRCTBFKQRDBQ-CQSZACIVSA-N 0 1 317.433 1.485 20 10 DDCDMN CCS(=O)(=O)N1CCN(Cc2ccc(F)c(F)c2O)CC1 ZINC000876563978 705759743 /nfs/dbraw/zinc/75/97/43/705759743.db2.gz HGWSCUFPWOYPAC-UHFFFAOYSA-N 0 1 320.361 1.138 20 10 DDCDMN Cc1cc([O-])c(C[NH2+]C[C@]2(OCCO)CCOC2)cc1Cl ZINC000826943685 705895934 /nfs/dbraw/zinc/89/59/34/705895934.db2.gz YGAMEPQQIHUBNI-OAHLLOKOSA-N 0 1 315.797 1.612 20 10 DDCDMN C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877484499 706119447 /nfs/dbraw/zinc/11/94/47/706119447.db2.gz CBSQITAMCWTVHZ-NSHDSACASA-N 0 1 300.349 1.823 20 10 DDCDMN C[C@@H]1CCCN1S(=O)(=O)NN=c1[nH]c2ccncc2s1 ZINC000872384982 707395866 /nfs/dbraw/zinc/39/58/66/707395866.db2.gz QJJXEVUHJREPSW-MRVPVSSYSA-N 0 1 313.408 1.337 20 10 DDCDMN O=C1CO[C@H]2CC[N@@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]2N1 ZINC000835056910 707163524 /nfs/dbraw/zinc/16/35/24/707163524.db2.gz QFRDJJJPXRCWSQ-HOTGVXAUSA-N 0 1 312.369 1.635 20 10 DDCDMN O=C1CO[C@H]2CC[N@H+](Cc3ccc4ccccc4c3[O-])C[C@@H]2N1 ZINC000835056910 707163526 /nfs/dbraw/zinc/16/35/26/707163526.db2.gz QFRDJJJPXRCWSQ-HOTGVXAUSA-N 0 1 312.369 1.635 20 10 DDCDMN CSC1(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000881853625 707394296 /nfs/dbraw/zinc/39/42/96/707394296.db2.gz CRXJDPNGKJWRRN-UHFFFAOYSA-N 0 1 319.474 1.950 20 10 DDCDMN COc1cc(O)c(CN(C)[C@H]2CCCCN(C)C2=O)cc1OC ZINC000872673826 707552070 /nfs/dbraw/zinc/55/20/70/707552070.db2.gz FRQFYHLEGQRGBT-ZDUSSCGKSA-N 0 1 322.405 1.852 20 10 DDCDMN COc1ccc(CNCC(=O)N(C)C)cc1Cn1cccn1 ZINC000873007780 707692688 /nfs/dbraw/zinc/69/26/88/707692688.db2.gz FMQVTZBXNFNYEQ-UHFFFAOYSA-N 0 1 302.378 1.118 20 10 DDCDMN Nc1cnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000873210246 707769755 /nfs/dbraw/zinc/76/97/55/707769755.db2.gz ZZUVEOTYKADALO-HNNXBMFYSA-N 0 1 314.389 1.946 20 10 DDCDMN CO[C@@H]1CCOC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000897888647 708482954 /nfs/dbraw/zinc/48/29/54/708482954.db2.gz FJTLWLFUXFFLNY-UKRRQHHQSA-N 0 1 300.349 1.924 20 10 DDCDMN C[NH+](C)[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C12CCC2 ZINC000898833900 708883956 /nfs/dbraw/zinc/88/39/56/708883956.db2.gz ZZNFGCUQEGWRLF-RYUDHWBXSA-N 0 1 308.353 1.840 20 10 DDCDMN NS(=O)(=O)C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000902522931 710782098 /nfs/dbraw/zinc/78/20/98/710782098.db2.gz GXOWSYXKZJGDCM-LLVKDONJSA-N 0 1 321.402 1.051 20 10 DDCDMN NS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000902522931 710782101 /nfs/dbraw/zinc/78/21/01/710782101.db2.gz GXOWSYXKZJGDCM-LLVKDONJSA-N 0 1 321.402 1.051 20 10 DDCDMN COc1cc(C)cc(CN2CCN(C(C)(C)C(N)=O)CC2)c1O ZINC000894065191 710948487 /nfs/dbraw/zinc/94/84/87/710948487.db2.gz PLGXHEAOEPZKOP-UHFFFAOYSA-N 0 1 321.421 1.091 20 10 DDCDMN COc1ccc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c1OC ZINC000894142652 710983667 /nfs/dbraw/zinc/98/36/67/710983667.db2.gz OPDDDHZEKAHUIO-SJCJKPOMSA-N 0 1 323.389 1.789 20 10 DDCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000895156253 711435154 /nfs/dbraw/zinc/43/51/54/711435154.db2.gz UECOCRIZDXIMHO-UWVGGRQHSA-N 0 1 303.811 1.958 20 10 DDCDMN COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(F)cc(F)c1O ZINC000895867610 711630168 /nfs/dbraw/zinc/63/01/68/711630168.db2.gz WYRGGSSTGMRURB-AAEUAGOBSA-N 0 1 315.316 1.871 20 10 DDCDMN CN1CC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000914180815 713354583 /nfs/dbraw/zinc/35/45/83/713354583.db2.gz XHFWWFFLXIMXGC-MRXNPFEDSA-N 0 1 302.422 1.790 20 10 DDCDMN CC(C)(CN1CCOCC1)C(=O)NCc1c(O)cccc1F ZINC000928711078 713469755 /nfs/dbraw/zinc/46/97/55/713469755.db2.gz ZVKGCYZEUQAUFD-UHFFFAOYSA-N 0 1 310.369 1.506 20 10 DDCDMN CCC[N@H+](Cc1ccccc1O)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929753694 713682913 /nfs/dbraw/zinc/68/29/13/713682913.db2.gz UTVDXPUSNCBJDC-WBVHZDCISA-N 0 1 309.406 1.507 20 10 DDCDMN CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)C1=CC(=O)CS1)C2 ZINC000926149466 715015333 /nfs/dbraw/zinc/01/53/33/715015333.db2.gz BNNLPEHAYRQCKE-UNIGVISCSA-N 0 1 324.446 1.663 20 10 DDCDMN O=C(c1cc(O)c(O)c(Cl)c1)N1C[C@H](CO)CC(F)(F)C1 ZINC001193605857 746164818 /nfs/dbraw/zinc/16/48/18/746164818.db2.gz MLOILSZGSIWVNK-SSDOTTSWSA-N 0 1 321.707 1.841 20 10 DDCDMN Oc1cc2c(cc1CN1CCN(c3nccnn3)CC1)CCC2 ZINC000863274316 749076869 /nfs/dbraw/zinc/07/68/69/749076869.db2.gz ITNNIXACVIIUQI-UHFFFAOYSA-N 0 1 311.389 1.388 20 10 DDCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@]1(CO)CCOC1 ZINC000691478052 763901921 /nfs/dbraw/zinc/90/19/21/763901921.db2.gz VLRKMINPMGYAFI-GFCCVEGCSA-N 0 1 302.168 1.396 20 10 DDCDMN O=C(NCc1c(O)cccc1O)c1ccn(-c2ccncc2)n1 ZINC001178910770 779224840 /nfs/dbraw/zinc/22/48/40/779224840.db2.gz 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[O-]c1c(F)ccc(F)c1C[NH+]1CCN(c2ccncn2)CC1 ZINC001139686063 860451165 /nfs/dbraw/zinc/45/11/65/860451165.db2.gz MALIWNQLUZNQSZ-UHFFFAOYSA-N 0 1 306.316 1.783 20 10 DDCDMN CC(=O)N1CCC2(CN(Cc3ccc4c(c3)OCCN4C)C2)C1 ZINC001141143385 860793685 /nfs/dbraw/zinc/79/36/85/860793685.db2.gz WZNCJBYLIFHMFN-UHFFFAOYSA-N 0 1 315.417 1.569 20 10 DDCDMN COc1cc(C)cc(CNCc2ccnc(N(C)C)n2)c1O ZINC001331565021 865158407 /nfs/dbraw/zinc/15/84/07/865158407.db2.gz FKVPMYCPDQSKMC-UHFFFAOYSA-N 0 1 302.378 1.855 20 10 DDCDMN NC(=O)c1cccnc1N1CCN(Cc2ccc(N)cc2)CC1 ZINC001337834028 869651166 /nfs/dbraw/zinc/65/11/66/869651166.db2.gz KKPVUTDKUDONJL-UHFFFAOYSA-N 0 1 311.389 1.085 20 10 DDCDMN COc1ccc(O)c(CN2CCN(c3ccncn3)CC2)c1 ZINC001203680122 870709452 /nfs/dbraw/zinc/70/94/52/870709452.db2.gz FUBSLRPNJUQKLJ-UHFFFAOYSA-N 0 1 300.362 1.513 20 10 DDCDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1cccc(O)c1O ZINC001347234003 874065913 /nfs/dbraw/zinc/06/59/13/874065913.db2.gz LRWRXFYSAMSNNS-LKFCYVNXSA-N 0 1 301.346 1.803 20 10 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COC(=O)[C@@H](O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000092014869 696591958 /nfs/dbraw/zinc/59/19/58/696591958.db2.gz JKESRFQRIUNTDJ-AWEZNQCLSA-N 0 1 313.781 1.792 20 10 DDCDMN OCC[N@@H+](CCN1CCOCC1)Cc1c(O)cccc1Cl ZINC000124161970 696739648 /nfs/dbraw/zinc/73/96/48/696739648.db2.gz MIEVIEFJQSYRIF-UHFFFAOYSA-N 0 1 314.813 1.172 20 10 DDCDMN OCCN(CCN1CCOCC1)Cc1c(O)cccc1Cl ZINC000124161970 696739650 /nfs/dbraw/zinc/73/96/50/696739650.db2.gz MIEVIEFJQSYRIF-UHFFFAOYSA-N 0 1 314.813 1.172 20 10 DDCDMN OCC1(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)COC1 ZINC000151241609 696882222 /nfs/dbraw/zinc/88/22/22/696882222.db2.gz HPZKKYFDUKGLCU-HNNXBMFYSA-N 0 1 307.390 1.382 20 10 DDCDMN O=C1N[C@H]2CC[N@@H+](Cc3c([O-])ccc4ccncc43)C[C@@H]2CO1 ZINC000799143525 700122706 /nfs/dbraw/zinc/12/27/06/700122706.db2.gz NUVGURIGJLIFBR-DOMZBBRYSA-N 0 1 313.357 1.871 20 10 DDCDMN O=C1N[C@H]2CC[N@H+](Cc3c([O-])ccc4ccncc43)C[C@@H]2CO1 ZINC000799143525 700122708 /nfs/dbraw/zinc/12/27/08/700122708.db2.gz 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/nfs/dbraw/zinc/41/85/16/699418516.db2.gz XHUPKDKDZXWTLM-KRWDZBQOSA-N 0 1 321.421 1.018 20 10 DDCDMN CC(=O)C(=O)COC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000808523208 701521745 /nfs/dbraw/zinc/52/17/45/701521745.db2.gz LAZZOWRRRFWILV-UHFFFAOYSA-N 0 1 313.313 1.664 20 10 DDCDMN CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000812878338 702256807 /nfs/dbraw/zinc/25/68/07/702256807.db2.gz XAXYTSXZUZVEHX-QGZVFWFLSA-N 0 1 319.449 1.822 20 10 DDCDMN COc1c([O-])c(C[NH2+]C2(C(=O)N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000840958330 702293791 /nfs/dbraw/zinc/29/37/91/702293791.db2.gz PDYMAMOFZXIYFT-UHFFFAOYSA-N 0 1 309.322 1.019 20 10 DDCDMN C[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCN(C2CC2)C1 ZINC000841135503 702360712 /nfs/dbraw/zinc/36/07/12/702360712.db2.gz MOBRZVOTKRSTAE-GFCCVEGCSA-N 0 1 316.405 1.150 20 10 DDCDMN CC(=O)N[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000817413073 702373643 /nfs/dbraw/zinc/37/36/43/702373643.db2.gz SLFUMTSSZFNSMH-OAHLLOKOSA-N 0 1 321.396 1.373 20 10 DDCDMN 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1 321.377 1.357 20 10 DDCDMN C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Br)ccc1[O-] ZINC000872141222 707298292 /nfs/dbraw/zinc/29/82/92/707298292.db2.gz QZNMHNLBERXHIW-XTWCZFFVSA-N 0 1 316.195 1.955 20 10 DDCDMN Cc1ccc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c(O)c1 ZINC000877504145 706125020 /nfs/dbraw/zinc/12/50/20/706125020.db2.gz AMMVNKBRQQQHJG-UHFFFAOYSA-N 0 1 324.446 1.701 20 10 DDCDMN C[C@]12C[N@H+](Cc3c([O-])cccc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC000877666884 706174403 /nfs/dbraw/zinc/17/44/03/706174403.db2.gz CJXJJWLWIUMLFK-GASCZTMLSA-N 0 1 308.765 1.530 20 10 DDCDMN C[C@]12C[N@@H+](Cc3c([O-])cccc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC000877666884 706174404 /nfs/dbraw/zinc/17/44/04/706174404.db2.gz CJXJJWLWIUMLFK-GASCZTMLSA-N 0 1 308.765 1.530 20 10 DDCDMN C[C@]12C[N@@H+](Cc3cc(Cl)ccc3O)C[C@@]1(C)C(=O)NC2=O ZINC000877668260 706174850 /nfs/dbraw/zinc/17/48/50/706174850.db2.gz ININVDYGPZFNEX-GASCZTMLSA-N 0 1 308.765 1.530 20 10 DDCDMN C[C@]12C[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877668260 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Cn1cnc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000881850996 707392666 /nfs/dbraw/zinc/39/26/66/707392666.db2.gz MWCOMRHWPGAOCP-UHFFFAOYSA-N 0 1 313.405 1.102 20 10 DDCDMN O=S1(=O)C[C@@H]2CC[N@H+](Cc3cc4c(cc3O)CCC4)C[C@@H]2C1 ZINC000872794367 707605316 /nfs/dbraw/zinc/60/53/16/707605316.db2.gz HXQWMAXZDGRNEZ-GOEBONIOSA-N 0 1 321.442 1.747 20 10 DDCDMN O=S1(=O)C[C@@H]2CCN(Cc3cc4c(cc3O)CCC4)C[C@@H]2C1 ZINC000872794367 707605317 /nfs/dbraw/zinc/60/53/17/707605317.db2.gz HXQWMAXZDGRNEZ-GOEBONIOSA-N 0 1 321.442 1.747 20 10 DDCDMN COc1ccc(CNCc2ccnn2C)cc1Cn1cccn1 ZINC000873012469 707693932 /nfs/dbraw/zinc/69/39/32/707693932.db2.gz JHINGXFXKOEMOO-UHFFFAOYSA-N 0 1 311.389 1.963 20 10 DDCDMN CC(C)(C)c1nc(CNC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 ZINC000837939425 707787840 /nfs/dbraw/zinc/78/78/40/707787840.db2.gz FUUDFPOJPRGKCK-ALCCZGGFSA-N 0 1 316.361 1.843 20 10 DDCDMN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])CN1CCN(C)CC1 ZINC000882979760 707882738 /nfs/dbraw/zinc/88/27/38/707882738.db2.gz LVTHZIRDUBGKEB-GFCCVEGCSA-N 0 1 313.392 1.644 20 10 DDCDMN CN(C)C(=O)COC1CN(Cc2cc(Cl)c(F)cc2O)C1 ZINC000839138708 708029685 /nfs/dbraw/zinc/02/96/85/708029685.db2.gz PHNHKASJHHNGOE-UHFFFAOYSA-N 0 1 316.760 1.474 20 10 DDCDMN CC[C@H]1C(=O)NCCCN1Cc1ccc(OC)c(OC)c1O ZINC000898560046 708791492 /nfs/dbraw/zinc/79/14/92/708791492.db2.gz ZVBGXANKRAVEJE-LBPRGKRZSA-N 0 1 308.378 1.510 20 10 DDCDMN C[C@@H]1CN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C ZINC000889663111 709576507 /nfs/dbraw/zinc/57/65/07/709576507.db2.gz MZZUPWPQIADWIN-HUUCEWRRSA-N 0 1 316.449 1.988 20 10 DDCDMN Cc1nc(CNC(=O)NCc2ccc(N(C)C)cc2C)n[nH]1 ZINC000893052511 710547359 /nfs/dbraw/zinc/54/73/59/710547359.db2.gz FXYMQDXEJDYUBS-UHFFFAOYSA-N 0 1 302.382 1.487 20 10 DDCDMN CN1CCN(c2ccc(CNC(=O)C3=CCOCC3)cc2)CC1 ZINC000893608034 710739981 /nfs/dbraw/zinc/73/99/81/710739981.db2.gz NUZDSMZDLGGSGX-UHFFFAOYSA-N 0 1 315.417 1.401 20 10 DDCDMN O=C1CN(Cc2cc(F)cc(F)c2O)CCN1CC(F)(F)F ZINC000894757691 711261477 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DDCDMN COC(=O)[C@H]1CC[C@H](NC(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001193625314 746153436 /nfs/dbraw/zinc/15/34/36/746153436.db2.gz GWZVLAQHXFXTGG-CBAPKCEASA-N 0 1 313.737 1.823 20 10 DDCDMN O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000691439634 762937731 /nfs/dbraw/zinc/93/77/31/762937731.db2.gz HYAJQGKTCGPGQF-SNVBAGLBSA-N 0 1 320.208 1.431 20 10 DDCDMN C[C@H]1C(=O)NCCN1Cc1cc(Br)c(F)cc1O ZINC001144299794 772471766 /nfs/dbraw/zinc/47/17/66/772471766.db2.gz ILZBVKLXONVMQF-ZETCQYMHSA-N 0 1 317.158 1.614 20 10 DDCDMN N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001206238928 777683197 /nfs/dbraw/zinc/68/31/97/777683197.db2.gz WTSCYPPTVWJWSX-LBPRGKRZSA-N 0 1 304.268 1.556 20 10 DDCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)Cc1nn[nH]n1 ZINC001176849561 778302107 /nfs/dbraw/zinc/30/21/07/778302107.db2.gz WVLMFDBMOGTPKO-HNNXBMFYSA-N 0 1 315.377 1.504 20 10 DDCDMN NC(=O)C1=NO[C@H](CNCc2ccc(N3CCCC3)cc2)C1 ZINC001117109691 780661410 /nfs/dbraw/zinc/66/14/10/780661410.db2.gz 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/nfs/dbraw/zinc/81/60/45/870816045.db2.gz ZDTJZXVMYGKVQT-UHFFFAOYSA-N 0 1 313.401 1.853 20 10 DDCDMN Cc1cc(N2CCN(Cc3ccc(O)cc3O)CC2)ncn1 ZINC001204278238 871037627 /nfs/dbraw/zinc/03/76/27/871037627.db2.gz ZIDSEOGMCBKDJM-UHFFFAOYSA-N 0 1 300.362 1.518 20 10 DDCDMN COc1cc(CN(C)[C@H]2CCCN(C(C)=O)C2)cc(O)c1O ZINC001204348333 871070091 /nfs/dbraw/zinc/07/00/91/871070091.db2.gz BYWPDWAULBEYDV-ZDUSSCGKSA-N 0 1 308.378 1.549 20 10 DDCDMN C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001276473507 871146008 /nfs/dbraw/zinc/14/60/08/871146008.db2.gz ZDNWZQYCRWSLPL-TXEJJXNPSA-N 0 1 311.376 1.491 20 10 DDCDMN CO[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C(=O)[O-] ZINC001353956060 877661703 /nfs/dbraw/zinc/66/17/03/877661703.db2.gz XRTFQEKJFOFHHE-VIFPVBQESA-N 0 1 322.130 1.483 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC001276826090 880138391 /nfs/dbraw/zinc/13/83/91/880138391.db2.gz HMYCLSSPAAIAQF-SWLSCSKDSA-N 0 1 314.385 1.943 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001276826090 880138394 /nfs/dbraw/zinc/13/83/94/880138394.db2.gz HMYCLSSPAAIAQF-SWLSCSKDSA-N 0 1 314.385 1.943 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001276826090 880138404 /nfs/dbraw/zinc/13/84/04/880138404.db2.gz HMYCLSSPAAIAQF-SWLSCSKDSA-N 0 1 314.385 1.943 20 10 DDCDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c(O)c1 ZINC001231454337 885676064 /nfs/dbraw/zinc/67/60/64/885676064.db2.gz PYJCDRDWMSGYIA-INIZCTEOSA-N 0 1 305.330 1.762 20 10 DDCDMN CCC[NH+]1C[C@@H]2CN(Cc3cc(C(=O)[O-])ccc3O)C[C@H]2C1 ZINC001231565721 885736127 /nfs/dbraw/zinc/73/61/27/885736127.db2.gz AVUBCABDUDCAQT-HUUCEWRRSA-N 0 1 304.390 1.864 20 10 DDCDMN COc1cc(Cl)cc(CN2CC[C@H](O)[C@@H](CO)C2)c1O ZINC001233288131 886898600 /nfs/dbraw/zinc/89/86/00/886898600.db2.gz YBQPOYBVMSMUQL-PWSUYJOCSA-N 0 1 301.770 1.229 20 10 DDCDMN COC(=O)[C@@H]1CN(Cc2cc(C(C)(C)C)ccc2O)CCN1C ZINC001233286998 886900149 /nfs/dbraw/zinc/90/01/49/886900149.db2.gz RKHMGDHKAHCIOP-HNNXBMFYSA-N 0 1 320.433 1.979 20 10 DDCDMN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001233333736 886927647 /nfs/dbraw/zinc/92/76/47/886927647.db2.gz GDOUVJCBGNJMHJ-BETUJISGSA-N 0 1 324.371 1.965 20 10 DDCDMN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001233333736 886927650 /nfs/dbraw/zinc/92/76/50/886927650.db2.gz GDOUVJCBGNJMHJ-BETUJISGSA-N 0 1 324.371 1.965 20 10 DDCDMN C[C@]1(CO)C[N@@H+](Cc2cccc(C(F)(F)F)c2[O-])CC[C@H]1O ZINC001233416077 886986006 /nfs/dbraw/zinc/98/60/06/886986006.db2.gz VTVOCSQPNCUILT-TZMCWYRMSA-N 0 1 319.323 1.976 20 10 DDCDMN NC(=O)[C@H]1CN(Cc2cccc(-c3ccccc3)c2O)CCO1 ZINC001234993769 888319542 /nfs/dbraw/zinc/31/95/42/888319542.db2.gz BDQLWTNYRJQCCW-MRXNPFEDSA-N 0 1 312.369 1.745 20 10 DDCDMN CN1CCN(c2ccc(CN3CC4(C3)CCCO4)c(F)c2)CC1 ZINC001236935273 889429626 /nfs/dbraw/zinc/42/96/26/889429626.db2.gz HKZFZOPQSHGNGX-UHFFFAOYSA-N 0 1 319.424 1.942 20 10 DDCDMN COC(=O)C1(O)CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC001237688358 889806177 /nfs/dbraw/zinc/80/61/77/889806177.db2.gz IMERDMCTTMSHHV-UHFFFAOYSA-N 0 1 313.781 1.854 20 10 DDCDMN COC(=O)Cc1ccc(CN2CCC[C@]2(C)C(=O)OC)c(O)c1 ZINC001249178957 893854194 /nfs/dbraw/zinc/85/41/94/893854194.db2.gz WVKHXPKRHMBUDE-QGZVFWFLSA-N 0 1 321.373 1.635 20 10 DDCDMN COC(=O)Cc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c(O)c1 ZINC001249177913 893854476 /nfs/dbraw/zinc/85/44/76/893854476.db2.gz LIAOHKLTHGNOPK-QGZVFWFLSA-N 0 1 305.374 1.720 20 10 DDCDMN CCOC(=O)C1(O)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093595636 353902981 /nfs/dbraw/zinc/90/29/81/353902981.db2.gz JRBMTSSWCKQTIF-UHFFFAOYSA-N 0 1 306.406 1.643 20 10 DDCDMN COC(=O)[C@H]1[C@@H](O)CCCN1Cc1c(O)ccc(Cl)c1F ZINC000372812700 533562184 /nfs/dbraw/zinc/56/21/84/533562184.db2.gz QSQWZOMVUXHZOP-WCQYABFASA-N 0 1 317.744 1.683 20 10 DDCDMN C[N@@H+](CC(=O)N1CCOCC1)Cc1c(O)ccc2ccccc21 ZINC000111164089 407399910 /nfs/dbraw/zinc/39/99/10/407399910.db2.gz BYIISHPIAIIFBT-UHFFFAOYSA-N 0 1 314.385 1.836 20 10 DDCDMN CN(Cc1cc(Br)ccc1O)[C@@H]1CCN(C)C1=O ZINC000271207700 407575427 /nfs/dbraw/zinc/57/54/27/407575427.db2.gz SNVZGFATQICVTM-LLVKDONJSA-N 0 1 313.195 1.817 20 10 DDCDMN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)N1CCC1 ZINC000264582176 408540092 /nfs/dbraw/zinc/54/00/92/408540092.db2.gz CVAVZEXKWQRVIS-HNNXBMFYSA-N 0 1 304.390 1.606 20 10 DDCDMN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@]2(CCOC2)O1 ZINC000280182095 409264985 /nfs/dbraw/zinc/26/49/85/409264985.db2.gz GTYZTVINDPWHNA-MEDUHNTESA-N 0 1 307.346 1.501 20 10 DDCDMN C[N@@H+]1CCC[C@]2(CCN(C(=O)c3c(F)ccc(O)c3[O-])C2)C1 ZINC000295679631 409362088 /nfs/dbraw/zinc/36/20/88/409362088.db2.gz VKLXPCUQLQWDQA-INIZCTEOSA-N 0 1 308.353 1.795 20 10 DDCDMN C[N@H+]1CCC[C@]2(CCN(C(=O)c3c(F)ccc(O)c3[O-])C2)C1 ZINC000295679631 409362094 /nfs/dbraw/zinc/36/20/94/409362094.db2.gz VKLXPCUQLQWDQA-INIZCTEOSA-N 0 1 308.353 1.795 20 10 DDCDMN COCCN(CC(=O)N(C)C)Cc1cc(Cl)c(F)cc1O ZINC000295238401 409392079 /nfs/dbraw/zinc/39/20/79/409392079.db2.gz DQGYYPCSMDBQPR-UHFFFAOYSA-N 0 1 318.776 1.721 20 10 DDCDMN COC(=O)CCS(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000290494300 409421903 /nfs/dbraw/zinc/42/19/03/409421903.db2.gz JQWCRHFTIFADQL-UHFFFAOYSA-N 0 1 311.718 1.490 20 10 DDCDMN CC(C)C[C@H](CO)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299217149 410573653 /nfs/dbraw/zinc/57/36/53/410573653.db2.gz HLCLBJYPIVVTAI-QGZVFWFLSA-N 0 1 321.465 1.708 20 10 DDCDMN CN(C)c1ccc(CNc2cc(-n3cccn3)nc(N)n2)cc1 ZINC000301620462 410757674 /nfs/dbraw/zinc/75/76/74/410757674.db2.gz CPQCEMSPUFRDPV-UHFFFAOYSA-N 0 1 309.377 1.923 20 10 DDCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000377525994 418710437 /nfs/dbraw/zinc/71/04/37/418710437.db2.gz RJBMHMDNTLQHIZ-SNVBAGLBSA-N 0 1 310.781 1.946 20 10 DDCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000377525994 418710440 /nfs/dbraw/zinc/71/04/40/418710440.db2.gz RJBMHMDNTLQHIZ-SNVBAGLBSA-N 0 1 310.781 1.946 20 10 DDCDMN CN(Cc1ccccc1O)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000369417683 418733251 /nfs/dbraw/zinc/73/32/51/418733251.db2.gz DAHIISOTWQYFMK-CYBMUJFWSA-N 0 1 300.362 1.363 20 10 DDCDMN NS(=O)(=O)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000369052206 418727630 /nfs/dbraw/zinc/72/76/30/418727630.db2.gz UBYIVFBMOCZLPB-UHFFFAOYSA-N 0 1 304.799 1.299 20 10 DDCDMN NS(=O)(=O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000369052206 418727633 /nfs/dbraw/zinc/72/76/33/418727633.db2.gz UBYIVFBMOCZLPB-UHFFFAOYSA-N 0 1 304.799 1.299 20 10 DDCDMN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[N@@H+](C2CC2)C1 ZINC000295238917 300182523 /nfs/dbraw/zinc/18/25/23/300182523.db2.gz CQJXFYNWICWEHA-SNVBAGLBSA-N 0 1 308.353 1.793 20 10 DDCDMN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[N@H+](C2CC2)C1 ZINC000295238917 300182527 /nfs/dbraw/zinc/18/25/27/300182527.db2.gz CQJXFYNWICWEHA-SNVBAGLBSA-N 0 1 308.353 1.793 20 10 DDCDMN CN1C[C@@H]2CN(Cc3c(O)ccc(Cl)c3F)CCN2C1=O ZINC000365939455 524017578 /nfs/dbraw/zinc/01/75/78/524017578.db2.gz AEXYHJCPPSRGLO-SECBINFHSA-N 0 1 313.760 1.736 20 10 DDCDMN CN(C)c1ccc(CN2CC[C@H](NC(=O)NC3CC3)C2)cc1F ZINC000273703571 536148322 /nfs/dbraw/zinc/14/83/22/536148322.db2.gz DULIQFRYQRSIMU-AWEZNQCLSA-N 0 1 320.412 1.928 20 10 DDCDMN CC(=O)NCC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H](C)C(=O)[O-] ZINC000819770516 597704025 /nfs/dbraw/zinc/70/40/25/597704025.db2.gz WVFLGQRSYBZROG-GFCCVEGCSA-N 0 1 308.378 1.420 20 10 DDCDMN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCNC(=O)C2)c1O ZINC000740307705 600412290 /nfs/dbraw/zinc/41/22/90/600412290.db2.gz UJMFXHBKHXVOLZ-UHFFFAOYSA-N 0 1 300.314 1.175 20 10 DDCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCNC(=O)C2)c1O ZINC000740307705 600412292 /nfs/dbraw/zinc/41/22/92/600412292.db2.gz UJMFXHBKHXVOLZ-UHFFFAOYSA-N 0 1 300.314 1.175 20 10 DDCDMN COc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)[O-])C2)cc1OC ZINC000833887927 605499755 /nfs/dbraw/zinc/49/97/55/605499755.db2.gz NWRPKCSCZTVUBG-LLVKDONJSA-N 0 1 324.377 1.889 20 10 DDCDMN COc1c([O-])c(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000775075856 697960844 /nfs/dbraw/zinc/96/08/44/697960844.db2.gz PPCWQHDWHMUTNR-WDEREUQCSA-N 0 1 309.366 1.833 20 10 DDCDMN COc1c([O-])c(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000775075856 697960845 /nfs/dbraw/zinc/96/08/45/697960845.db2.gz PPCWQHDWHMUTNR-WDEREUQCSA-N 0 1 309.366 1.833 20 10 DDCDMN CCN(CC)c1ccc(CNC(=O)C[C@@H]2COCCN2)cc1 ZINC000285733909 698557206 /nfs/dbraw/zinc/55/72/06/698557206.db2.gz GZHRISGIUHBESM-OAHLLOKOSA-N 0 1 305.422 1.528 20 10 DDCDMN CNC(=O)C[C@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706880459 699245517 /nfs/dbraw/zinc/24/55/17/699245517.db2.gz AMZWZFBUKGDTKZ-QMMMGPOBSA-N 0 1 301.184 1.769 20 10 DDCDMN C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC(C)(C)S(C)(=O)=O ZINC000713911535 699268398 /nfs/dbraw/zinc/26/83/98/699268398.db2.gz JLACIMIDYBKVPK-UHFFFAOYSA-N 0 1 307.362 1.925 20 10 DDCDMN CCOC(=O)c1nn(C)cc1CNCc1ccc(OC)cc1O ZINC000793389047 699753578 /nfs/dbraw/zinc/75/35/78/699753578.db2.gz UFCUSYZMROXMDR-UHFFFAOYSA-N 0 1 319.361 1.601 20 10 DDCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NC(N)=O)cc1 ZINC000741678075 699847431 /nfs/dbraw/zinc/84/74/31/699847431.db2.gz IZJSJKLSCFRFON-GFCCVEGCSA-N 0 1 306.410 1.548 20 10 DDCDMN COCCN1CN(Cc2c(O)ccc(Cl)c2F)CC1=O ZINC000802659589 700415864 /nfs/dbraw/zinc/41/58/64/700415864.db2.gz WKUINXQCYVDRRD-UHFFFAOYSA-N 0 1 302.733 1.433 20 10 DDCDMN COc1ccc(N2CCN(C(=O)CN3CC[C@H]4C[C@H]43)CC2)cc1 ZINC000761097799 700843451 /nfs/dbraw/zinc/84/34/51/700843451.db2.gz VRXMRRWVWPWSJC-WMLDXEAASA-N 0 1 315.417 1.438 20 10 DDCDMN NC(=O)CNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806597749 701442630 /nfs/dbraw/zinc/44/26/30/701442630.db2.gz CQYRGPRTRNUTFH-UHFFFAOYSA-N 0 1 308.190 1.148 20 10 DDCDMN C[C@@H](NC(=O)N[C@@H](C)CN1CCN(C)CC1)c1ccccc1O ZINC000868371812 702093728 /nfs/dbraw/zinc/09/37/28/702093728.db2.gz HIKBKFBGMXUMRH-UONOGXRCSA-N 0 1 320.437 1.388 20 10 DDCDMN Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000840949992 702290231 /nfs/dbraw/zinc/29/02/31/702290231.db2.gz GVYJWMSPKWZENU-CQSZACIVSA-N 0 1 310.463 1.928 20 10 DDCDMN Cc1cc(N(C)C)ccc1CN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000840949992 702290237 /nfs/dbraw/zinc/29/02/37/702290237.db2.gz GVYJWMSPKWZENU-CQSZACIVSA-N 0 1 310.463 1.928 20 10 DDCDMN C[C@@H](O)[C@@H]1CN(Cc2cccc(Br)c2O)CCO1 ZINC000840977604 702299785 /nfs/dbraw/zinc/29/97/85/702299785.db2.gz LCLISIGVBUEZSS-SKDRFNHKSA-N 0 1 316.195 1.736 20 10 DDCDMN C[C@@H]1CC[C@H](O)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000817285848 702330180 /nfs/dbraw/zinc/33/01/80/702330180.db2.gz ORORKVXWGZSVDW-PBHICJAKSA-N 0 1 319.449 1.556 20 10 DDCDMN CCN1C[C@H](C)N(C(=O)NCCc2ccc(N)cc2)C[C@@H]1C ZINC000841958416 702635668 /nfs/dbraw/zinc/63/56/68/702635668.db2.gz FUSOJAZAUMTBOS-KBPBESRZSA-N 0 1 304.438 1.935 20 10 DDCDMN Cn1nccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850405979 703729902 /nfs/dbraw/zinc/72/99/02/703729902.db2.gz MQRYVVYUQSWGLB-UHFFFAOYSA-N 0 1 300.406 1.671 20 10 DDCDMN C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Cl)ccc1[O-] ZINC000850508792 703734294 /nfs/dbraw/zinc/73/42/94/703734294.db2.gz OHTOJJGOQGGTAP-IAQYHMDHSA-N 0 1 315.797 1.864 20 10 DDCDMN C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(Cl)ccc1[O-] ZINC000850508793 703734343 /nfs/dbraw/zinc/73/43/43/703734343.db2.gz OHTOJJGOQGGTAP-NHYWBVRUSA-N 0 1 315.797 1.864 20 10 DDCDMN COc1ccc(N2CC[C@H](CNC(=O)N3CCNCC3)C2)cc1 ZINC000818658022 703953245 /nfs/dbraw/zinc/95/32/45/703953245.db2.gz NLGLUOSDIMTMSS-CQSZACIVSA-N 0 1 318.421 1.136 20 10 DDCDMN CCc1nc(CN2C(=O)CN(Cc3ccccc3O)C2=O)n[nH]1 ZINC000819170152 704080285 /nfs/dbraw/zinc/08/02/85/704080285.db2.gz XIDWDINOQADCPC-UHFFFAOYSA-N 0 1 315.333 1.037 20 10 DDCDMN CC[C@H]1CN(C)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000823195315 705168739 /nfs/dbraw/zinc/16/87/39/705168739.db2.gz UPQLVUJSRMZSNR-INIZCTEOSA-N 0 1 318.465 1.395 20 10 DDCDMN CN(C)C(=O)[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862395196 705708745 /nfs/dbraw/zinc/70/87/45/705708745.db2.gz PSLXMUQZPWLYNN-NSHDSACASA-N 0 1 311.376 1.941 20 10 DDCDMN COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825708224 705719067 /nfs/dbraw/zinc/71/90/67/705719067.db2.gz DRUSFIYWCVIOEF-SNVBAGLBSA-N 0 1 312.341 1.078 20 10 DDCDMN COCC[N@H+]1CCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825708224 705719070 /nfs/dbraw/zinc/71/90/70/705719070.db2.gz DRUSFIYWCVIOEF-SNVBAGLBSA-N 0 1 312.341 1.078 20 10 DDCDMN Cc1cc(O)c(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1Cl ZINC000825731706 705723369 /nfs/dbraw/zinc/72/33/69/705723369.db2.gz KKOGBUKWOJARRK-OAHLLOKOSA-N 0 1 323.780 1.528 20 10 DDCDMN COc1c([O-])c(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)ccc1[N+](=O)[O-] ZINC000827692265 706050953 /nfs/dbraw/zinc/05/09/53/706050953.db2.gz HCBAZNSYNGGUEW-MEBBXXQBSA-N 0 1 310.350 1.759 20 10 DDCDMN C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877516056 706129268 /nfs/dbraw/zinc/12/92/68/706129268.db2.gz BGAAOPCNMSNERQ-AAEUAGOBSA-N 0 1 312.360 1.965 20 10 DDCDMN Cc1cc([O-])c(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1Cl ZINC000877666793 706174348 /nfs/dbraw/zinc/17/43/48/706174348.db2.gz BQEFWPOANCMXGM-HZPDHXFCSA-N 0 1 322.792 1.839 20 10 DDCDMN COc1cccc(O)c1CNC[C@@H](n1cncn1)C(F)(F)F ZINC000865683291 706495647 /nfs/dbraw/zinc/49/56/47/706495647.db2.gz RRUJBAYLVHHJHY-GFCCVEGCSA-N 0 1 316.283 1.886 20 10 DDCDMN CCNCc1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999301 707105067 /nfs/dbraw/zinc/10/50/67/707105067.db2.gz JZCMKFQRHAACNZ-UHFFFAOYSA-N 0 1 308.769 1.998 20 10 DDCDMN CO[C@H](C)CC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881851356 707392528 /nfs/dbraw/zinc/39/25/28/707392528.db2.gz IXLSZPVLKBIEMC-CQSZACIVSA-N 0 1 305.422 1.480 20 10 DDCDMN C/C=C\CNC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000883796549 708065781 /nfs/dbraw/zinc/06/57/81/708065781.db2.gz HUSOWWFDZUTYTM-ARJAWSKDSA-N 0 1 302.422 1.814 20 10 DDCDMN O=C1C[C@@H](CC[NH2+]Cc2ccc(Br)cc2[O-])CN1 ZINC000896897530 708175856 /nfs/dbraw/zinc/17/58/56/708175856.db2.gz SUBPZEZPCVTYAU-SECBINFHSA-N 0 1 313.195 1.771 20 10 DDCDMN Cc1ccc(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)c(O)c1O ZINC000928089890 713125487 /nfs/dbraw/zinc/12/54/87/713125487.db2.gz LWRLWXPGIZHBNI-CHWSQXEVSA-N 0 1 322.430 1.716 20 10 DDCDMN C[N@@H+](CC(=O)N(CC(=O)[O-])Cc1ccccc1O)C1CCC1 ZINC000911486940 710817843 /nfs/dbraw/zinc/81/78/43/710817843.db2.gz AIKGEDALODROHR-UHFFFAOYSA-N 0 1 306.362 1.290 20 10 DDCDMN C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894747404 711257305 /nfs/dbraw/zinc/25/73/05/711257305.db2.gz KTPNDFGZIUAVAK-RISCZKNCSA-N 0 1 312.360 1.965 20 10 DDCDMN COCCn1nnc2c1CCN(Cc1cc(F)cc(F)c1O)C2 ZINC000894857179 711298670 /nfs/dbraw/zinc/29/86/70/711298670.db2.gz DRTBMNNUEAEZRL-UHFFFAOYSA-N 0 1 324.331 1.467 20 10 DDCDMN Nc1ccc(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)cc1 ZINC000926141448 715012995 /nfs/dbraw/zinc/01/29/95/715012995.db2.gz DHTJFQXPHWQUNV-ZIAGYGMSSA-N 0 1 306.435 1.970 20 10 DDCDMN O=C1NC(=O)C2(CC[NH+](Cc3ccc(Cl)cc3[O-])CC2)N1 ZINC001140465853 734463488 /nfs/dbraw/zinc/46/34/88/734463488.db2.gz SIUKXQQTDOEFTJ-UHFFFAOYSA-N 0 1 309.753 1.220 20 10 DDCDMN C[C@H](O)[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(=O)[O-] ZINC001119549733 781507390 /nfs/dbraw/zinc/50/73/90/781507390.db2.gz SDWVGDAVCMIVIE-SSDLBLMSSA-N 0 1 322.130 1.217 20 10 DDCDMN CN1CCOc2cc(CN3C[C@@H]4COC[C@H](C3)N4C)ccc21 ZINC001275418487 853096082 /nfs/dbraw/zinc/09/60/82/853096082.db2.gz CLYQDJJCUBJHFU-GASCZTMLSA-N 0 1 303.406 1.030 20 10 DDCDMN Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c(O)c1O ZINC001328368641 862931900 /nfs/dbraw/zinc/93/19/00/862931900.db2.gz BTJSYZRORKJLRG-SECBINFHSA-N 0 1 319.317 1.515 20 10 DDCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cnc(N)nc1 ZINC001138165825 860027164 /nfs/dbraw/zinc/02/71/64/860027164.db2.gz ZLASNTGHJIMMJX-UHFFFAOYSA-N 0 1 313.405 1.527 20 10 DDCDMN CCN(CC)c1ccc(CN2CCOC[C@H](O)C2)c(OC)c1 ZINC001138386776 860084176 /nfs/dbraw/zinc/08/41/76/860084176.db2.gz WLHNLCWPYNEGFK-MRXNPFEDSA-N 0 1 308.422 1.735 20 10 DDCDMN c1cc(N2CCOCC2)ccc1CN1CCN(C2COC2)CC1 ZINC001138494688 860119717 /nfs/dbraw/zinc/11/97/17/860119717.db2.gz GBZYSSOTPOJVAM-UHFFFAOYSA-N 0 1 317.433 1.040 20 10 DDCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCNC(=O)CC1 ZINC001139126753 860295929 /nfs/dbraw/zinc/29/59/29/860295929.db2.gz OZZQEBZFLAIDGI-UHFFFAOYSA-N 0 1 302.330 1.129 20 10 DDCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CC(=O)N[C@H](C)C1 ZINC001139126206 860296319 /nfs/dbraw/zinc/29/63/19/860296319.db2.gz AGLJDWJGNOADSF-SNVBAGLBSA-N 0 1 302.330 1.127 20 10 DDCDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCC(=O)[C@H](F)C1 ZINC001139130983 860300594 /nfs/dbraw/zinc/30/05/94/860300594.db2.gz LEWBDBMUDDKFMD-GFCCVEGCSA-N 0 1 305.305 1.920 20 10 DDCDMN Cc1cc(CN2CC(N(C)[C@@H]3CCOC3)C2)ccc1N(C)C ZINC001139673591 860450383 /nfs/dbraw/zinc/45/03/83/860450383.db2.gz VDJFFDBGLHVQCP-MRXNPFEDSA-N 0 1 303.450 1.966 20 10 DDCDMN Oc1cc(O)c(CCNc2nc(Cl)nc3[nH]cnc32)cc1O ZINC001157240126 863675206 /nfs/dbraw/zinc/67/52/06/863675206.db2.gz PXJGCLHEULAOQQ-UHFFFAOYSA-N 0 1 321.724 1.729 20 10 DDCDMN CN1CCN(c2ccc(CNC(=O)NC(C)(C)CF)cc2)CC1 ZINC001331286600 864988357 /nfs/dbraw/zinc/98/83/57/864988357.db2.gz BACQREDFNXDHLT-UHFFFAOYSA-N 0 1 322.428 1.986 20 10 DDCDMN CN(C)c1cc(F)c(C[NH2+][C@H](Cc2cnc[nH]2)C(=O)[O-])cc1F ZINC001333184781 866497285 /nfs/dbraw/zinc/49/72/85/866497285.db2.gz AJIXXMXHZXTXGA-CYBMUJFWSA-N 0 1 324.331 1.539 20 10 DDCDMN COC[C@@H]1CNCCN1C(=O)NCc1ccc(N(C)C)cc1C ZINC001336827306 869168048 /nfs/dbraw/zinc/16/80/48/869168048.db2.gz WEPSANWJGLIEON-INIZCTEOSA-N 0 1 320.437 1.191 20 10 DDCDMN CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cc(C(C)C)ccc1O ZINC001308861156 871534582 /nfs/dbraw/zinc/53/45/82/871534582.db2.gz VHZKAWAWDRPJEJ-UKRRQHHQSA-N 0 1 313.419 1.417 20 10 DDCDMN C[C@H]1CC[C@H](NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)C[NH2+]1 ZINC001219593622 878375121 /nfs/dbraw/zinc/37/51/21/878375121.db2.gz AFSYTEPFEXYZCH-WPRPVWTQSA-N 0 1 318.329 1.075 20 10 DDCDMN CN(C)c1ccc(CN2CC3(C2)SCC[C@H]3C(N)=O)cc1 ZINC001276958450 881292166 /nfs/dbraw/zinc/29/21/66/881292166.db2.gz OUTBULJEIVZVEW-AWEZNQCLSA-N 0 1 305.447 1.545 20 10 DDCDMN CC(C)(C)N1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)CC1=O ZINC001231455518 885676255 /nfs/dbraw/zinc/67/62/55/885676255.db2.gz QSUDYNYSQZEPTB-UHFFFAOYSA-N 0 1 306.362 1.533 20 10 DDCDMN CC(C)(C)N1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2O)CC1=O ZINC001231455518 885676262 /nfs/dbraw/zinc/67/62/62/885676262.db2.gz QSUDYNYSQZEPTB-UHFFFAOYSA-N 0 1 306.362 1.533 20 10 DDCDMN CN1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)Cc2cccnc21 ZINC001231563691 885731899 /nfs/dbraw/zinc/73/18/99/885731899.db2.gz LZASLKJOHROHDK-UHFFFAOYSA-N 0 1 313.357 1.937 20 10 DDCDMN O=C([C@@H]1CC12CN(Cc1cc(O)ccc1O)C2)N1CC=CC1 ZINC001277659981 886331740 /nfs/dbraw/zinc/33/17/40/886331740.db2.gz LCNSDEPISGODHU-AWEZNQCLSA-N 0 1 300.358 1.318 20 10 DDCDMN NC(=O)[C@@H]1CCCN1Cc1cc(F)cc(Br)c1O ZINC001235295719 888538067 /nfs/dbraw/zinc/53/80/67/888538067.db2.gz FHPIBEMIPAHHOL-JTQLQIEISA-N 0 1 317.158 1.744 20 10 DDCDMN CCN(CC)c1ccc(CN2CCN[C@@H](C(=O)OC)C2)cc1 ZINC001235446982 888650744 /nfs/dbraw/zinc/65/07/44/888650744.db2.gz WBKHZSQAUGYOFJ-MRXNPFEDSA-N 0 1 305.422 1.480 20 10 DDCDMN OC[C@H]1CCN(Cc2cc(O)c(Br)cc2O)C1 ZINC001236775280 889351360 /nfs/dbraw/zinc/35/13/60/889351360.db2.gz MFCXSKIAEJXTOT-QMMMGPOBSA-N 0 1 302.168 1.675 20 10 DDCDMN C[C@H]1CN(CCc2nnc(-c3cccc(O)c3O)o2)C[C@H](C)O1 ZINC001258020302 898019709 /nfs/dbraw/zinc/01/97/09/898019709.db2.gz QLGSGDFPDZHTHT-QWRGUYRKSA-N 0 1 319.361 1.800 20 10 DDCDMN CN(C)c1ccc(CNC(=O)CN(CC(C)(C)O)C2CC2)cc1 ZINC000299433772 529780890 /nfs/dbraw/zinc/78/08/90/529780890.db2.gz VIJNTBOSOFJSCW-UHFFFAOYSA-N 0 1 319.449 1.604 20 10 DDCDMN COc1ccc(N2CCCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000052466209 352611507 /nfs/dbraw/zinc/61/15/07/352611507.db2.gz JDJOBAFOINXXGK-AWEZNQCLSA-N 0 1 317.433 1.874 20 10 DDCDMN COc1cc(N2CCN([C@H]3CCOC3)CC2)cc(OC)c1OC ZINC000285069110 131135301 /nfs/dbraw/zinc/13/53/01/131135301.db2.gz PAEDWFXPMLURBO-ZDUSSCGKSA-N 0 1 322.405 1.623 20 10 DDCDMN CN(Cc1ccccc1O)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000173358830 407876256 /nfs/dbraw/zinc/87/62/56/407876256.db2.gz PNTMJROLTQFZQC-CQSZACIVSA-N 0 1 314.389 1.753 20 10 DDCDMN COc1cc(O)c(CN2CCCC3(C2)OCCO3)cc1OC ZINC000272529256 407966581 /nfs/dbraw/zinc/96/65/81/407966581.db2.gz AIOUKKIQONHKQV-UHFFFAOYSA-N 0 1 309.362 1.748 20 10 DDCDMN CN(C)c1ccc(CN(C)C(=O)CN2C[C@H](O)C(C)(C)C2)cc1 ZINC000279835536 409249398 /nfs/dbraw/zinc/24/93/98/409249398.db2.gz RGACKYJLJAZUNT-INIZCTEOSA-N 0 1 319.449 1.414 20 10 DDCDMN CNC(=O)[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000191472159 222103642 /nfs/dbraw/zinc/10/36/42/222103642.db2.gz GSGIXQSBENHRJE-NSHDSACASA-N 0 1 302.733 1.132 20 10 DDCDMN CN1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000191662220 222106045 /nfs/dbraw/zinc/10/60/45/222106045.db2.gz XAFQVKNBQBSVDM-UHFFFAOYSA-N 0 1 303.406 1.187 20 10 DDCDMN CCOc1cccc(CN2CCN3C(=O)N(C)C[C@@H]3C2)c1O ZINC000369691123 418735757 /nfs/dbraw/zinc/73/57/57/418735757.db2.gz GDBVXMRDZDUSMX-CYBMUJFWSA-N 0 1 305.378 1.343 20 10 DDCDMN COC(=O)[C@H]1[C@H](O)CCCN1Cc1c(O)ccc(Cl)c1F ZINC000372812699 418905567 /nfs/dbraw/zinc/90/55/67/418905567.db2.gz QSQWZOMVUXHZOP-DGCLKSJQSA-N 0 1 317.744 1.683 20 10 DDCDMN COc1ccc(N2CCN(CC[C@@H]3CCOC3=O)CC2)cc1 ZINC000119986441 524427804 /nfs/dbraw/zinc/42/78/04/524427804.db2.gz UWTBPKVKHROSPF-CQSZACIVSA-N 0 1 304.390 1.770 20 10 DDCDMN C[C@H]1CN(C(C)(C)CNC(=O)Cc2ccc(N)cc2)C[C@H](C)O1 ZINC000237655383 524554683 /nfs/dbraw/zinc/55/46/83/524554683.db2.gz VVDYLWBWIRDCQN-KBPBESRZSA-N 0 1 319.449 1.815 20 10 DDCDMN CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180334132 525210824 /nfs/dbraw/zinc/21/08/24/525210824.db2.gz NDEQVMUYZYEVBW-SNVBAGLBSA-N 0 1 304.799 1.169 20 10 DDCDMN C[C@@H](C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000736571600 600363333 /nfs/dbraw/zinc/36/33/33/600363333.db2.gz LHQNQLVXWHASOX-LBPRGKRZSA-N 0 1 307.394 1.021 20 10 DDCDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000833553609 604677463 /nfs/dbraw/zinc/67/74/63/604677463.db2.gz GABYOYQTMWKGDK-QGZVFWFLSA-N 0 1 304.390 1.820 20 10 DDCDMN CN(CC(=O)N(C)C1CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000067457049 696361701 /nfs/dbraw/zinc/36/17/01/696361701.db2.gz FDMIJYNICSLBRV-UHFFFAOYSA-N 0 1 317.433 1.576 20 10 DDCDMN CN(Cc1ccccc1O)C(=O)NCCCCN1CCOCC1 ZINC000079398715 696460381 /nfs/dbraw/zinc/46/03/81/696460381.db2.gz JUDDJKVDWFQNTE-UHFFFAOYSA-N 0 1 321.421 1.646 20 10 DDCDMN O=S1(=O)CCN(Cc2cccc(Br)c2O)CC1 ZINC000132276306 696813651 /nfs/dbraw/zinc/81/36/51/696813651.db2.gz KQSQSIYZZXBDSR-UHFFFAOYSA-N 0 1 320.208 1.385 20 10 DDCDMN CN(C)c1ccc(CN2CCC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000154041972 696925692 /nfs/dbraw/zinc/92/56/92/696925692.db2.gz WKQJGXPYHPCKMP-AWEZNQCLSA-N 0 1 311.451 1.266 20 10 DDCDMN C[N@@H+](CC(=O)N1CCOCC1)Cc1cc2c(cc1O)CCCC2 ZINC000160170715 697315403 /nfs/dbraw/zinc/31/54/03/697315403.db2.gz UMPJBAZSCXHWJZ-UHFFFAOYSA-N 0 1 318.417 1.562 20 10 DDCDMN CN(CC(=O)N1CCOCC1)Cc1cc2c(cc1O)CCCC2 ZINC000160170715 697315405 /nfs/dbraw/zinc/31/54/05/697315405.db2.gz UMPJBAZSCXHWJZ-UHFFFAOYSA-N 0 1 318.417 1.562 20 10 DDCDMN CC(C)(O)CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180759976 697451826 /nfs/dbraw/zinc/45/18/26/697451826.db2.gz RFCUZFFZCPHJHJ-GQCTYLIASA-N 0 1 320.389 1.026 20 10 DDCDMN COc1ccc(N2CCN(C(=O)c3coc(CN)c3)CC2)cc1 ZINC000188026161 697553155 /nfs/dbraw/zinc/55/31/55/697553155.db2.gz OZPKVLVMEUTECN-UHFFFAOYSA-N 0 1 315.373 1.709 20 10 DDCDMN CCN(C)c1ccc(CN2CC[C@H](S(=O)(=O)NC)C2)cc1 ZINC000773809142 697808417 /nfs/dbraw/zinc/80/84/17/697808417.db2.gz RKVNREKIDIGDDD-HNNXBMFYSA-N 0 1 311.451 1.266 20 10 DDCDMN C[N@@H+](CCN1CCOCC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775674865 698021794 /nfs/dbraw/zinc/02/17/94/698021794.db2.gz MTGLSFWSTQZXHX-UHFFFAOYSA-N 0 1 302.777 1.949 20 10 DDCDMN [O-]c1c(Br)cccc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000775994795 698058528 /nfs/dbraw/zinc/05/85/28/698058528.db2.gz LKSCQFAXGJEVEY-VHSXEESVSA-N 0 1 302.168 1.082 20 10 DDCDMN C[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nnc[nH]1 ZINC000776245906 698087253 /nfs/dbraw/zinc/08/72/53/698087253.db2.gz OZFQGTITHIIZRF-WDEREUQCSA-N 0 1 302.382 1.992 20 10 DDCDMN NS(=O)(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2O)C1 ZINC000785980045 699114804 /nfs/dbraw/zinc/11/48/04/699114804.db2.gz VWZUYACZDNAXFF-SNVBAGLBSA-N 0 1 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C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1ccnn1C ZINC000879685306 706758649 /nfs/dbraw/zinc/75/86/49/706758649.db2.gz GFXHOXGAFCEFCJ-CYBMUJFWSA-N 0 1 315.421 1.453 20 10 DDCDMN Cc1ccc(O)c(CNC(=O)NCCN2CCCOCC2)c1 ZINC000858488971 704717754 /nfs/dbraw/zinc/71/77/54/704717754.db2.gz OVLLJTLODHESDF-UHFFFAOYSA-N 0 1 307.394 1.222 20 10 DDCDMN C[C@@H]1[C@H](C)N(Cc2cc(F)cc(F)c2O)CCS1(=O)=O ZINC000894040823 710939543 /nfs/dbraw/zinc/93/95/43/710939543.db2.gz ZBMKASJMVPKISJ-DTWKUNHWSA-N 0 1 305.346 1.678 20 10 DDCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCOC(=O)N1 ZINC000861728461 705552375 /nfs/dbraw/zinc/55/23/75/705552375.db2.gz IMULGZGARJBOCU-SECBINFHSA-N 0 1 319.144 1.814 20 10 DDCDMN Cn1cc(N2CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)cn1 ZINC000876736941 705848828 /nfs/dbraw/zinc/84/88/28/705848828.db2.gz YEHCEQJHJNRLMN-UHFFFAOYSA-N 0 1 308.332 1.726 20 10 DDCDMN Cc1ccc(CN2CCN(c3nc(N)ns3)CC2)c(O)c1 ZINC000876806354 705885414 /nfs/dbraw/zinc/88/54/14/705885414.db2.gz NWPUHHSVMDUBLJ-UHFFFAOYSA-N 0 1 305.407 1.457 20 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CC[C@@]1(C(=O)OC)C[C@H](N(C)Cc2ccc(N(C)C)cc2)CN1 ZINC001246901589 892978362 /nfs/dbraw/zinc/97/83/62/892978362.db2.gz OJPMELIMXTUNGO-WMZOPIPTSA-N 0 1 319.449 1.868 20 10 DDCDMN COc1ccc(O)c([C@@H](C)NC(=O)CN(C)[C@@H]2CCC[C@H]2O)c1 ZINC001294938074 915471034 /nfs/dbraw/zinc/47/10/34/915471034.db2.gz VEPWDZKCUXFLDN-DJSGYFEHSA-N 0 1 322.405 1.423 20 10 DDCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1c[nH]nn1 ZINC000631562158 422833871 /nfs/dbraw/zinc/83/38/71/422833871.db2.gz NDUAENUDYCZCHP-UHFFFAOYSA-N 0 1 301.350 1.229 20 10 DDCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1cnn[nH]1 ZINC000631562158 422833873 /nfs/dbraw/zinc/83/38/73/422833873.db2.gz NDUAENUDYCZCHP-UHFFFAOYSA-N 0 1 301.350 1.229 20 10 DDCDMN CC[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1O ZINC000270975845 407446895 /nfs/dbraw/zinc/44/68/95/407446895.db2.gz WSYXPMPIEHVEAW-GOEBONIOSA-N 0 1 305.422 1.072 20 10 DDCDMN CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O ZINC000271219558 407581976 /nfs/dbraw/zinc/58/19/76/407581976.db2.gz YNULNWVSQVWHSM-SNVBAGLBSA-N 0 1 313.741 1.616 20 10 DDCDMN CN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O ZINC000271219558 407581979 /nfs/dbraw/zinc/58/19/79/407581979.db2.gz YNULNWVSQVWHSM-SNVBAGLBSA-N 0 1 313.741 1.616 20 10 DDCDMN COC(=O)C1CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271709495 407727509 /nfs/dbraw/zinc/72/75/09/407727509.db2.gz AKQUPBOJCVVIES-UHFFFAOYSA-N 0 1 309.362 1.794 20 10 DDCDMN CCC[N@@H+](Cc1cc(OCC)ccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000282947373 409071842 /nfs/dbraw/zinc/07/18/42/409071842.db2.gz GWGPNJNALJGIEH-CQSZACIVSA-N 0 1 320.389 1.760 20 10 DDCDMN CCCN(Cc1cc(OCC)ccc1O)[C@@H]1CC(=O)N(C)C1=O ZINC000282947373 409071845 /nfs/dbraw/zinc/07/18/45/409071845.db2.gz GWGPNJNALJGIEH-CQSZACIVSA-N 0 1 320.389 1.760 20 10 DDCDMN C[N@@H+](CCN1CCOCC1)Cc1cc(Cl)c(F)cc1[O-] ZINC000295238031 409391114 /nfs/dbraw/zinc/39/11/14/409391114.db2.gz DOUGHTBJRDNLPJ-UHFFFAOYSA-N 0 1 302.777 1.949 20 10 DDCDMN CCOC1CC(N(C)CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000298537070 410279199 /nfs/dbraw/zinc/27/91/99/410279199.db2.gz MTEYPKFKPVQKME-UHFFFAOYSA-N 0 1 319.449 1.868 20 10 DDCDMN COC[C@H](N)C(=O)N(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000375966183 418690717 /nfs/dbraw/zinc/69/07/17/418690717.db2.gz XFIIGGJLHCTKKX-INIZCTEOSA-N 0 1 321.421 1.096 20 10 DDCDMN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000369982286 418739830 /nfs/dbraw/zinc/73/98/30/418739830.db2.gz GRQJDQARYIULLM-CHWSQXEVSA-N 0 1 312.373 1.809 20 10 DDCDMN C[C@H]([NH2+]C[C@H]1COCCN1)c1cc(Br)ccc1[O-] ZINC000530226983 340783182 /nfs/dbraw/zinc/78/31/82/340783182.db2.gz QHQCDWIGCCYWDG-ONGXEEELSA-N 0 1 315.211 1.794 20 10 DDCDMN CO[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000298521531 536680471 /nfs/dbraw/zinc/68/04/71/536680471.db2.gz LLVZJUFNVVHJAP-WMLDXEAASA-N 0 1 319.449 1.868 20 10 DDCDMN C[C@H](NC(=O)[C@H]1CCCN1C)c1ccc(N2CCOCC2)cc1 ZINC000748568183 700125998 /nfs/dbraw/zinc/12/59/98/700125998.db2.gz UOEABEGCVUBJDR-WMLDXEAASA-N 0 1 317.433 1.795 20 10 DDCDMN C[C@@H](NC(=O)[C@H]1CCCN1C)c1ccc(N2CCOCC2)cc1 ZINC000748568182 700126036 /nfs/dbraw/zinc/12/60/36/700126036.db2.gz UOEABEGCVUBJDR-RHSMWYFYSA-N 0 1 317.433 1.795 20 10 DDCDMN COC[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])OC ZINC000227707370 697771477 /nfs/dbraw/zinc/77/14/77/697771477.db2.gz GESAGAFOFVTBNM-NSHDSACASA-N 0 1 304.184 1.906 20 10 DDCDMN Cc1cccc(CN2CCN(c3nccn(C)c3=O)CC2)c1O ZINC000775711494 698024971 /nfs/dbraw/zinc/02/49/71/698024971.db2.gz BPFKAGSKQAIBGQ-UHFFFAOYSA-N 0 1 314.389 1.117 20 10 DDCDMN CS(=O)(=O)CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000700994725 699225653 /nfs/dbraw/zinc/22/56/53/699225653.db2.gz REECVWYYTXWOMX-UHFFFAOYSA-N 0 1 308.197 1.289 20 10 DDCDMN C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)N(C)C ZINC000706863867 699245000 /nfs/dbraw/zinc/24/50/00/699245000.db2.gz UVZUJDQIJAPOIN-QMMMGPOBSA-N 0 1 301.184 1.721 20 10 DDCDMN C[C@H](NCc1c(O)cccc1Br)C(=O)N(C)C ZINC000706863867 699245003 /nfs/dbraw/zinc/24/50/03/699245003.db2.gz UVZUJDQIJAPOIN-QMMMGPOBSA-N 0 1 301.184 1.721 20 10 DDCDMN CCN1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1C ZINC000754079008 700481130 /nfs/dbraw/zinc/48/11/30/700481130.db2.gz FFORNPOVSCBOOD-JTQLQIEISA-N 0 1 320.349 1.456 20 10 DDCDMN O=C(NCc1cccc(Br)c1O)[C@@H]1CC1[N+](=O)[O-] ZINC000839741378 701805731 /nfs/dbraw/zinc/80/57/31/701805731.db2.gz UKFACLFFSJZUQP-VXNVDRBHSA-N 0 1 315.123 1.436 20 10 DDCDMN COC[C@H]1C(=O)N[C@H](c2cccc(Br)c2O)N1C ZINC000840827916 702252288 /nfs/dbraw/zinc/25/22/88/702252288.db2.gz CSUBSJXUPNEQOS-ONGXEEELSA-N 0 1 315.167 1.230 20 10 DDCDMN CCN1C(=O)C(C)(C)N[C@@H]1c1ccc(N2CCN(C)CC2)cc1 ZINC000840836708 702255891 /nfs/dbraw/zinc/25/58/91/702255891.db2.gz BBYRVNVNOKVGGY-INIZCTEOSA-N 0 1 316.449 1.667 20 10 DDCDMN Cc1cc(Br)c([O-])c(CN(CC[NH3+])CCO)c1 ZINC000841058477 702329704 /nfs/dbraw/zinc/32/97/04/702329704.db2.gz HQTTVOAEGPUAFO-UHFFFAOYSA-N 0 1 303.200 1.216 20 10 DDCDMN CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1 ZINC000841831876 702576247 /nfs/dbraw/zinc/57/62/47/702576247.db2.gz HBCKUVVZWWHLON-UHFFFAOYSA-N 0 1 314.433 1.956 20 10 DDCDMN COC[C@H](CN1CCN(c2ccc(OC)cc2OC)CC1)OC ZINC000879462116 706686129 /nfs/dbraw/zinc/68/61/29/706686129.db2.gz QIPGGPHNEULANJ-HNNXBMFYSA-N 0 1 324.421 1.487 20 10 DDCDMN C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(Br)cc1[O-] ZINC000866420779 706694761 /nfs/dbraw/zinc/69/47/61/706694761.db2.gz RVXFXIZDQJBHIR-KOLSJAJHSA-N 0 1 302.168 1.565 20 10 DDCDMN Cc1cc(Br)c([O-])c(CN2CCO[C@H](C[NH3+])C2)c1 ZINC000843066360 702812396 /nfs/dbraw/zinc/81/23/96/702812396.db2.gz VPOWTRKXQBPVBA-LLVKDONJSA-N 0 1 315.211 1.623 20 10 DDCDMN COc1ccc(CNC(=O)[C@H]2NCCc3ccccc32)c(O)c1 ZINC000843499487 702894745 /nfs/dbraw/zinc/89/47/45/702894745.db2.gz IAFNJCSPVTUDAB-KRWDZBQOSA-N 0 1 312.369 1.904 20 10 DDCDMN CC[C@H]1CCC[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846237789 703255195 /nfs/dbraw/zinc/25/51/95/703255195.db2.gz KEGKQGDOPYOGMK-JTQLQIEISA-N 0 1 304.350 1.755 20 10 DDCDMN COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000818629700 703947311 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